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 1f3w_1_H DATA FIRST_RESID 12 DATA SEQUENCE IQTQQLHAAM ADTFLEHMCR LDIDSAPITA RNTGIICTIG PASRSVETLK DATA SEQUENCE EMIKSGMNVA RMNFSHGTHE YHAETIKNVR TATESFASDP ILYRPVAVAL DATA SEQUENCE DTKGPEIRTG LIKGSGTAEV ELKKGATLKI TLDNAYMEKC DENILWLDYK DATA SEQUENCE NICKVVDVGS KVYVDDGLIS LQVKQKGPDF LVTEVENGGF LGSKKGVNLP DATA SEQUENCE GAAVDLPAVS EKDIQDLKFG VEQDVDMVFA SFIRKAADVH EVRKILGEKG DATA SEQUENCE KNIKIISKIE NHEGVRRFDE ILEASDGIMV ARGDLGIEIP AEKVFLAQKM DATA SEQUENCE IIGRCNRAGK PVICATQMLE SMIKKPRPTR AEGSDVANAV LDGADCIMLS DATA SEQUENCE GETAKGDYPL EAVRMQHLIA REAEAAMFHR KLFEELARAS SHSTDLMEAM DATA SEQUENCE AMGSVEASYK CLAAALIVLT ESGRSAHQVA RYRPRAPIIA VTRNHQTARQ DATA SEQUENCE AHLYRGIFPV VCKDPVQEAW AEDVDLRVNL AMNVGKARGF FKKGDVVIVL DATA SEQUENCE TGWRPGSGFT NTMRVVPVP 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 12 I HA 0.000 nan 4.170 nan 0.000 0.288 12 I C 0.000 176.106 176.117 -0.018 0.000 1.063 12 I CA 0.000 61.277 61.300 -0.038 0.000 1.566 12 I CB 0.000 37.983 38.000 -0.029 0.000 1.214 13 Q N 2.549 122.342 119.800 -0.012 0.000 3.055 13 Q HA 0.283 4.623 4.340 0.000 0.000 0.190 13 Q C 0.424 176.433 176.000 0.015 0.000 1.173 13 Q CA 0.258 56.066 55.803 0.009 0.000 1.266 13 Q CB 0.388 29.144 28.738 0.030 0.000 1.338 13 Q HN 0.709 nan 8.270 nan 0.000 0.707 14 T N -3.807 110.760 114.554 0.022 0.000 2.888 14 T HA 0.266 4.616 4.350 0.000 0.000 0.288 14 T C -0.399 174.318 174.700 0.028 0.000 1.063 14 T CA -0.980 61.133 62.100 0.022 0.000 1.010 14 T CB 1.486 70.366 68.868 0.020 0.000 1.214 14 T HN 0.632 nan 8.240 nan 0.000 0.533 15 Q N -0.103 119.713 119.800 0.027 0.000 2.461 15 Q HA -0.269 4.071 4.340 0.000 0.000 0.264 15 Q C -0.085 175.944 176.000 0.049 0.000 1.085 15 Q CA 0.746 56.570 55.803 0.035 0.000 1.006 15 Q CB -1.436 27.317 28.738 0.024 0.000 1.437 15 Q HN 0.810 nan 8.270 nan 0.000 0.514 16 Q N -1.581 118.242 119.800 0.039 0.000 2.461 16 Q HA -0.226 4.114 4.340 0.000 0.000 0.273 16 Q C 0.639 176.670 176.000 0.051 0.000 1.163 16 Q CA 1.243 57.065 55.803 0.032 0.000 0.929 16 Q CB -1.349 27.404 28.738 0.025 0.000 1.334 16 Q HN 0.712 nan 8.270 nan 0.000 0.499 17 L N -1.771 119.487 121.223 0.059 0.000 2.131 17 L HA -0.211 4.129 4.340 0.000 0.000 0.210 17 L C 2.088 179.000 176.870 0.069 0.000 1.092 17 L CA 1.641 56.517 54.840 0.061 0.000 0.759 17 L CB -0.364 41.724 42.059 0.049 0.000 0.903 17 L HN 0.492 nan 8.230 nan 0.000 0.435 18 H N 0.371 119.436 119.070 -0.008 0.000 2.387 18 H HA -0.146 4.410 4.556 0.000 0.000 0.299 18 H C 2.083 177.396 175.328 -0.025 0.000 1.099 18 H CA 1.549 57.587 56.048 -0.017 0.000 1.315 18 H CB 0.125 29.868 29.762 -0.031 0.000 1.380 18 H HN 0.272 nan 8.280 nan 0.000 0.513 19 A N 0.533 123.252 122.820 -0.169 0.000 2.014 19 A HA 0.105 4.425 4.320 0.000 0.000 0.218 19 A C 2.583 180.157 177.584 -0.016 0.000 1.163 19 A CA 1.159 53.034 52.037 -0.270 0.000 0.652 19 A CB -1.069 17.662 19.000 -0.449 0.000 0.808 19 A HN 0.595 nan 8.150 nan 0.000 0.449 20 A N -0.513 122.356 122.820 0.083 0.000 1.978 20 A HA -0.128 4.193 4.320 0.000 0.000 0.220 20 A C 1.964 179.620 177.584 0.120 0.000 1.170 20 A CA 1.796 53.944 52.037 0.184 0.000 0.636 20 A CB -0.457 18.611 19.000 0.113 0.000 0.810 20 A HN 0.424 nan 8.150 nan 0.000 0.448 21 M N -0.072 119.530 119.600 0.004 0.000 2.686 21 M HA 0.149 4.629 4.480 0.000 0.000 0.246 21 M C 1.180 177.465 176.300 -0.026 0.000 1.096 21 M CA 0.194 55.481 55.300 -0.021 0.000 1.076 21 M CB -1.751 30.814 32.600 -0.058 0.000 1.504 21 M HN 0.398 nan 8.290 nan 0.000 0.524 22 A N 1.196 123.993 122.820 -0.037 0.000 2.520 22 A HA 0.029 4.349 4.320 0.000 0.000 0.235 22 A C 0.955 178.598 177.584 0.098 0.000 1.065 22 A CA 0.090 52.090 52.037 -0.060 0.000 0.764 22 A CB 0.310 19.177 19.000 -0.222 0.000 1.002 22 A HN 0.310 nan 8.150 nan 0.000 0.502 23 D N -0.187 120.246 120.400 0.056 0.000 2.197 23 D HA 0.021 4.661 4.640 0.000 0.000 0.212 23 D C 1.209 177.596 176.300 0.144 0.000 0.963 23 D CA 2.007 56.060 54.000 0.088 0.000 0.864 23 D CB -0.054 40.773 40.800 0.045 0.000 1.009 23 D HN 0.769 nan 8.370 nan 0.000 0.479 24 T N -2.619 111.996 114.554 0.101 0.000 2.937 24 T HA 0.337 4.687 4.350 0.000 0.000 0.283 24 T C 1.005 175.720 174.700 0.025 0.000 1.012 24 T CA -0.726 61.462 62.100 0.147 0.000 0.997 24 T CB 0.710 69.665 68.868 0.145 0.000 1.136 24 T HN -0.227 nan 8.240 nan 0.000 0.551 25 F N -0.302 119.737 119.950 0.149 0.000 2.098 25 F HA 0.163 4.690 4.527 0.000 0.000 0.294 25 F C 2.428 178.201 175.800 -0.044 0.000 1.107 25 F CA 0.659 58.675 58.000 0.027 0.000 1.234 25 F CB -0.571 38.502 39.000 0.121 0.000 1.002 25 F HN 0.420 nan 8.300 nan 0.000 0.472 26 L N 0.087 121.430 121.223 0.200 0.000 2.051 26 L HA -0.310 4.030 4.340 0.000 0.000 0.214 26 L C 2.373 179.246 176.870 0.006 0.000 1.076 26 L CA 1.777 56.668 54.840 0.086 0.000 0.758 26 L CB -0.331 41.774 42.059 0.076 0.000 0.890 26 L HN 0.271 nan 8.230 nan 0.000 0.433 27 E N -1.194 118.993 120.200 -0.022 0.000 2.015 27 E HA -0.320 4.030 4.350 0.000 0.000 0.191 27 E C 2.041 178.539 176.600 -0.170 0.000 0.991 27 E CA 1.439 57.791 56.400 -0.080 0.000 0.802 27 E CB -0.124 29.533 29.700 -0.072 0.000 0.759 27 E HN 0.541 nan 8.360 nan 0.000 0.447 28 H N 0.333 119.149 119.070 -0.423 0.000 2.321 28 H HA -0.208 4.348 4.556 0.000 0.000 0.295 28 H C 2.110 177.240 175.328 -0.329 0.000 1.102 28 H CA 2.429 58.116 56.048 -0.601 0.000 1.266 28 H CB -0.183 28.792 29.762 -1.311 0.000 1.363 28 H HN 0.132 nan 8.280 nan 0.000 0.492 29 M N -0.843 118.631 119.600 -0.210 0.000 2.065 29 M HA -0.228 4.252 4.480 0.000 0.000 0.259 29 M C 2.349 178.559 176.300 -0.149 0.000 1.071 29 M CA 2.092 57.306 55.300 -0.144 0.000 1.109 29 M CB -0.384 32.207 32.600 -0.014 0.000 1.313 29 M HN 0.488 nan 8.290 nan 0.000 0.408 30 C N 0.009 119.246 119.300 -0.105 0.000 2.410 30 C HA -0.144 4.317 4.460 0.000 0.000 0.281 30 C C 2.394 177.337 174.990 -0.078 0.000 1.318 30 C CA 0.975 59.950 59.018 -0.072 0.000 1.776 30 C CB -1.485 26.228 27.740 -0.044 0.000 1.942 30 C HN 0.510 nan 8.230 nan 0.000 0.508 31 R N -0.175 120.244 120.500 -0.136 0.000 2.317 31 R HA 0.227 4.567 4.340 0.000 0.000 0.208 31 R C 0.242 176.485 176.300 -0.095 0.000 0.914 31 R CA -0.103 55.949 56.100 -0.079 0.000 1.060 31 R CB -0.091 30.118 30.300 -0.152 0.000 1.015 31 R HN 0.478 nan 8.270 nan 0.000 0.498 32 L N 1.729 122.848 121.223 -0.173 0.000 2.540 32 L HA -0.038 4.302 4.340 0.000 0.000 0.276 32 L C 0.033 176.863 176.870 -0.066 0.000 1.212 32 L CA 0.454 55.207 54.840 -0.146 0.000 0.893 32 L CB 0.140 42.110 42.059 -0.148 0.000 1.138 32 L HN 0.018 nan 8.230 nan 0.000 0.491 33 D N 3.484 123.858 120.400 -0.042 0.000 2.481 33 D HA 0.206 4.846 4.640 0.000 0.000 0.246 33 D C 0.820 177.109 176.300 -0.019 0.000 1.109 33 D CA -0.552 53.434 54.000 -0.022 0.000 0.845 33 D CB 1.501 42.296 40.800 -0.008 0.000 1.160 33 D HN 0.471 nan 8.370 nan 0.000 0.534 34 I N 0.070 120.630 120.570 -0.018 0.000 2.916 34 I HA -0.026 4.144 4.170 0.000 0.000 0.267 34 I C 0.309 176.421 176.117 -0.008 0.000 1.263 34 I CA 0.858 62.150 61.300 -0.013 0.000 1.471 34 I CB 0.202 38.195 38.000 -0.012 0.000 1.089 34 I HN 0.032 nan 8.210 nan 0.000 0.468 35 D N 1.159 121.554 120.400 -0.010 0.000 2.340 35 D HA 0.069 4.709 4.640 0.000 0.000 0.217 35 D C 0.668 176.965 176.300 -0.004 0.000 1.081 35 D CA 0.342 54.337 54.000 -0.007 0.000 0.842 35 D CB 0.495 41.288 40.800 -0.011 0.000 0.934 35 D HN 0.253 nan 8.370 nan 0.000 0.511 36 S N 0.946 116.644 115.700 -0.002 0.000 2.409 36 S HA 0.466 4.936 4.470 0.000 0.000 0.308 36 S C 0.157 174.762 174.600 0.009 0.000 1.080 36 S CA -0.702 57.501 58.200 0.005 0.000 1.081 36 S CB 0.146 63.352 63.200 0.009 0.000 1.009 36 S HN 0.183 nan 8.310 nan 0.000 0.502 37 A N 7.715 130.541 122.820 0.011 0.000 2.520 37 A HA 0.433 4.753 4.320 0.000 0.000 0.245 37 A C -1.942 175.653 177.584 0.018 0.000 1.072 37 A CA -0.898 51.148 52.037 0.015 0.000 0.761 37 A CB -0.167 18.844 19.000 0.017 0.000 1.004 37 A HN 0.707 nan 8.150 nan 0.000 0.499 38 P HA 0.388 nan 4.420 nan 0.000 0.276 38 P C 0.062 177.374 177.300 0.019 0.000 1.261 38 P CA -0.408 62.702 63.100 0.017 0.000 0.800 38 P CB 0.642 32.347 31.700 0.009 0.000 1.066 39 I N -2.366 118.212 120.570 0.013 0.000 3.322 39 I HA 0.203 4.373 4.170 0.000 0.000 0.296 39 I C 1.215 177.346 176.117 0.024 0.000 1.101 39 I CA -0.416 60.893 61.300 0.015 0.000 1.166 39 I CB -0.510 37.483 38.000 -0.010 0.000 1.475 39 I HN 0.147 nan 8.210 nan 0.000 0.665 40 T N 1.696 116.284 114.554 0.057 0.000 2.857 40 T HA 0.097 4.447 4.350 0.000 0.000 0.266 40 T C 1.005 175.775 174.700 0.118 0.000 1.048 40 T CA 0.988 63.167 62.100 0.131 0.000 1.139 40 T CB -0.262 68.745 68.868 0.232 0.000 0.874 40 T HN 0.739 nan 8.240 nan 0.000 0.455 41 A N 2.268 125.011 122.820 -0.128 0.000 2.488 41 A HA 0.392 4.712 4.320 0.000 0.000 0.249 41 A C 0.559 178.096 177.584 -0.079 0.000 1.083 41 A CA -0.167 51.676 52.037 -0.322 0.000 0.768 41 A CB 0.120 18.558 19.000 -0.936 0.000 1.017 41 A HN 0.246 nan 8.150 nan 0.000 0.496 42 R N 3.041 123.576 120.500 0.059 0.000 2.275 42 R HA 0.193 4.533 4.340 0.000 0.000 0.326 42 R C -0.232 176.124 176.300 0.093 0.000 0.973 42 R CA -0.222 55.895 56.100 0.028 0.000 0.854 42 R CB 0.217 30.503 30.300 -0.024 0.000 1.156 42 R HN 0.961 nan 8.270 nan 0.000 0.487 43 N N 0.874 119.612 118.700 0.063 0.000 2.331 43 N HA -0.052 4.688 4.740 0.000 0.000 0.180 43 N C -0.288 175.284 175.510 0.103 0.000 1.019 43 N CA 0.712 53.819 53.050 0.095 0.000 0.881 43 N CB 0.272 38.812 38.487 0.089 0.000 0.972 43 N HN 0.433 nan 8.380 nan 0.000 0.435 44 T N 0.820 115.422 114.554 0.079 0.000 2.814 44 T HA 0.233 4.583 4.350 0.000 0.000 0.297 44 T C 0.680 175.431 174.700 0.086 0.000 0.956 44 T CA -0.567 61.575 62.100 0.071 0.000 1.123 44 T CB 1.279 70.174 68.868 0.045 0.000 0.902 44 T HN 0.119 nan 8.240 nan 0.000 0.528 45 G N 2.660 111.513 108.800 0.088 0.000 2.441 45 G HA2 0.472 4.432 3.960 0.000 0.000 0.243 45 G HA3 0.472 4.432 3.960 0.000 0.000 0.243 45 G C -0.340 174.596 174.900 0.060 0.000 1.281 45 G CA -0.566 44.592 45.100 0.097 0.000 0.854 45 G HN 0.776 nan 8.290 nan 0.000 0.560 46 I N 2.320 122.917 120.570 0.045 0.000 2.355 46 I HA 0.267 4.437 4.170 0.000 0.000 0.288 46 I C -0.229 175.900 176.117 0.019 0.000 0.999 46 I CA -0.448 60.874 61.300 0.037 0.000 1.163 46 I CB 1.633 39.663 38.000 0.051 0.000 1.316 46 I HN 0.218 nan 8.210 nan 0.000 0.454 47 I N 5.833 126.428 120.570 0.042 0.000 2.315 47 I HA 0.287 4.457 4.170 0.000 0.000 0.291 47 I C -0.439 175.719 176.117 0.070 0.000 1.006 47 I CA -0.320 61.022 61.300 0.069 0.000 1.265 47 I CB 1.118 39.196 38.000 0.129 0.000 1.387 47 I HN 0.527 nan 8.210 nan 0.000 0.475 48 C N 4.272 123.607 119.300 0.057 0.000 2.322 48 C HA 0.384 4.844 4.460 0.000 0.000 0.324 48 C C 0.738 175.771 174.990 0.071 0.000 1.284 48 C CA -0.557 58.496 59.018 0.059 0.000 1.606 48 C CB 0.894 28.659 27.740 0.041 0.000 2.251 48 C HN 0.659 nan 8.230 nan 0.000 0.502 49 T N 5.316 119.920 114.554 0.082 0.000 2.794 49 T HA 0.299 4.649 4.350 0.000 0.000 0.296 49 T C 0.381 175.132 174.700 0.085 0.000 0.949 49 T CA 0.001 62.157 62.100 0.093 0.000 1.101 49 T CB 0.002 68.931 68.868 0.102 0.000 0.905 49 T HN 0.358 nan 8.240 nan 0.000 0.516 50 I N 2.916 123.542 120.570 0.094 0.000 2.499 50 I HA 0.677 4.847 4.170 0.000 0.000 0.296 50 I C 0.998 177.193 176.117 0.131 0.000 0.992 50 I CA -0.098 61.258 61.300 0.093 0.000 1.297 50 I CB 0.915 38.962 38.000 0.079 0.000 1.410 50 I HN 0.814 nan 8.210 nan 0.000 0.507 51 G N 5.241 114.111 108.800 0.118 0.000 2.570 51 G HA2 0.376 4.336 3.960 0.000 0.000 0.310 51 G HA3 0.376 4.336 3.960 0.000 0.000 0.310 51 G C -2.705 172.271 174.900 0.127 0.000 1.266 51 G CA -0.314 44.881 45.100 0.158 0.000 0.825 51 G HN 0.265 nan 8.290 nan 0.000 0.483 52 P HA -0.150 nan 4.420 nan 0.000 0.216 52 P C 2.143 179.468 177.300 0.042 0.000 1.167 52 P CA 2.993 66.142 63.100 0.083 0.000 0.914 52 P CB 0.044 31.772 31.700 0.045 0.000 0.793 53 A N -1.012 121.824 122.820 0.027 0.000 2.178 53 A HA -0.111 4.209 4.320 0.000 0.000 0.218 53 A C 1.804 179.397 177.584 0.015 0.000 1.157 53 A CA 2.050 54.092 52.037 0.009 0.000 0.689 53 A CB -1.012 17.988 19.000 -0.000 0.000 0.787 53 A HN 0.376 nan 8.150 nan 0.000 0.465 54 S N -3.112 112.605 115.700 0.029 0.000 2.787 54 S HA 0.228 4.698 4.470 0.000 0.000 0.255 54 S C 1.431 176.043 174.600 0.020 0.000 1.051 54 S CA -0.393 57.823 58.200 0.027 0.000 1.124 54 S CB -0.033 63.189 63.200 0.036 0.000 1.104 54 S HN 0.335 nan 8.310 nan 0.000 0.623 55 R N 2.884 123.394 120.500 0.017 0.000 2.103 55 R HA 0.016 4.356 4.340 0.000 0.000 0.242 55 R C 1.235 177.520 176.300 -0.025 0.000 1.142 55 R CA 1.274 57.364 56.100 -0.017 0.000 0.960 55 R CB -1.168 29.114 30.300 -0.029 0.000 0.858 55 R HN 0.576 nan 8.270 nan 0.000 0.439 56 S N 0.431 116.123 115.700 -0.013 0.000 2.593 56 S HA -0.041 4.429 4.470 0.000 0.000 0.300 56 S C 1.703 176.297 174.600 -0.011 0.000 1.267 56 S CA -0.278 57.914 58.200 -0.014 0.000 1.065 56 S CB 0.824 64.020 63.200 -0.007 0.000 0.807 56 S HN 0.041 nan 8.310 nan 0.000 0.499 57 V N 5.154 125.056 119.914 -0.019 0.000 2.407 57 V HA -0.089 4.031 4.120 0.000 0.000 0.248 57 V C 2.531 178.616 176.094 -0.016 0.000 1.055 57 V CA 1.994 64.281 62.300 -0.021 0.000 1.049 57 V CB -0.713 31.090 31.823 -0.034 0.000 0.662 57 V HN 0.818 nan 8.190 nan 0.000 0.455 58 E N -0.033 120.159 120.200 -0.014 0.000 2.072 58 E HA -0.154 4.196 4.350 0.000 0.000 0.191 58 E C 2.338 178.947 176.600 0.015 0.000 0.985 58 E CA 1.792 58.189 56.400 -0.005 0.000 0.801 58 E CB -0.701 28.995 29.700 -0.005 0.000 0.750 58 E HN 0.594 nan 8.360 nan 0.000 0.452 59 T N 2.076 116.638 114.554 0.013 0.000 2.684 59 T HA -0.145 4.205 4.350 0.000 0.000 0.267 59 T C 1.877 176.598 174.700 0.035 0.000 1.036 59 T CA 0.782 62.895 62.100 0.022 0.000 1.148 59 T CB -0.254 68.623 68.868 0.015 0.000 0.863 59 T HN -0.011 nan 8.240 nan 0.000 0.436 60 L N 1.256 122.498 121.223 0.031 0.000 2.043 60 L HA -0.073 4.267 4.340 0.000 0.000 0.212 60 L C 2.317 179.238 176.870 0.084 0.000 1.075 60 L CA 1.686 56.552 54.840 0.044 0.000 0.752 60 L CB -0.768 41.310 42.059 0.030 0.000 0.891 60 L HN 0.242 nan 8.230 nan 0.000 0.432 61 K N -1.028 119.427 120.400 0.091 0.000 2.103 61 K HA -0.215 4.106 4.320 0.000 0.000 0.207 61 K C 2.009 178.741 176.600 0.220 0.000 1.048 61 K CA 1.279 57.684 56.287 0.196 0.000 0.930 61 K CB -0.067 32.484 32.500 0.085 0.000 0.716 61 K HN 0.112 nan 8.250 nan 0.000 0.444 62 E N 0.483 120.755 120.200 0.119 0.000 2.204 62 E HA -0.061 4.289 4.350 0.000 0.000 0.194 62 E C 1.829 178.461 176.600 0.054 0.000 0.989 62 E CA 1.016 57.467 56.400 0.084 0.000 0.824 62 E CB 0.089 29.823 29.700 0.057 0.000 0.756 62 E HN 0.199 nan 8.360 nan 0.000 0.477 63 M N -0.468 119.164 119.600 0.053 0.000 2.099 63 M HA -0.092 4.388 4.480 0.000 0.000 0.262 63 M C 2.286 178.590 176.300 0.006 0.000 1.067 63 M CA 1.155 56.472 55.300 0.029 0.000 1.124 63 M CB -0.620 31.999 32.600 0.032 0.000 1.353 63 M HN 0.145 nan 8.290 nan 0.000 0.410 64 I N 0.520 121.107 120.570 0.029 0.000 2.151 64 I HA -0.336 3.834 4.170 0.000 0.000 0.243 64 I C 2.312 178.365 176.117 -0.107 0.000 1.080 64 I CA 1.603 62.887 61.300 -0.027 0.000 1.339 64 I CB -0.479 37.556 38.000 0.058 0.000 1.039 64 I HN 0.323 nan 8.210 nan 0.000 0.409 65 K N 0.230 120.578 120.400 -0.088 0.000 2.209 65 K HA -0.089 4.231 4.320 0.000 0.000 0.204 65 K C 2.046 178.579 176.600 -0.112 0.000 1.048 65 K CA 1.217 57.426 56.287 -0.129 0.000 0.940 65 K CB -0.084 32.382 32.500 -0.057 0.000 0.729 65 K HN 0.139 nan 8.250 nan 0.000 0.451 66 S N -1.060 114.592 115.700 -0.080 0.000 2.527 66 S HA 0.076 4.546 4.470 0.000 0.000 0.222 66 S C 1.161 175.675 174.600 -0.142 0.000 0.985 66 S CA 0.764 58.904 58.200 -0.100 0.000 0.921 66 S CB 0.685 63.863 63.200 -0.037 0.000 0.772 66 S HN 0.618 nan 8.310 nan 0.000 0.529 67 G N 0.389 109.124 108.800 -0.108 0.000 2.425 67 G HA2 -0.145 3.815 3.960 0.000 0.000 0.177 67 G HA3 -0.145 3.815 3.960 0.000 0.000 0.177 67 G C 0.136 175.011 174.900 -0.042 0.000 0.999 67 G CA -0.498 44.562 45.100 -0.066 0.000 0.723 67 G HN 0.300 nan 8.290 nan 0.000 0.491 68 M N 0.982 120.550 119.600 -0.053 0.000 2.248 68 M HA 0.134 4.614 4.480 0.000 0.000 0.343 68 M C 1.095 177.301 176.300 -0.156 0.000 1.243 68 M CA 1.231 56.492 55.300 -0.066 0.000 1.025 68 M CB 0.156 32.730 32.600 -0.042 0.000 1.759 68 M HN 0.372 nan 8.290 nan 0.000 0.452 69 N N 1.476 120.050 118.700 -0.210 0.000 2.360 69 N HA 0.189 4.929 4.740 0.000 0.000 0.211 69 N C -1.151 174.096 175.510 -0.438 0.000 1.147 69 N CA -0.243 52.498 53.050 -0.516 0.000 0.866 69 N CB 1.174 39.360 38.487 -0.502 0.000 1.206 69 N HN 0.337 nan 8.380 nan 0.000 0.478 70 V N 0.922 120.733 119.914 -0.171 0.000 2.733 70 V HA 0.689 4.809 4.120 0.000 0.000 0.306 70 V C -1.206 174.879 176.094 -0.016 0.000 1.084 70 V CA -1.096 61.165 62.300 -0.064 0.000 0.905 70 V CB 1.722 33.568 31.823 0.038 0.000 1.010 70 V HN 0.116 nan 8.190 nan 0.000 0.424 71 A N 4.688 127.497 122.820 -0.019 0.000 2.249 71 A HA 0.734 5.054 4.320 0.000 0.000 0.314 71 A C -0.036 177.543 177.584 -0.009 0.000 1.290 71 A CA -0.493 51.546 52.037 0.003 0.000 0.893 71 A CB 0.350 19.353 19.000 0.006 0.000 1.165 71 A HN 0.859 nan 8.150 nan 0.000 0.530 72 R N 3.649 124.164 120.500 0.024 0.000 2.221 72 R HA 0.463 4.803 4.340 0.000 0.000 0.327 72 R C -0.832 175.495 176.300 0.045 0.000 1.033 72 R CA -0.463 55.637 56.100 0.000 0.000 0.887 72 R CB 0.433 30.797 30.300 0.108 0.000 1.057 72 R HN 0.607 nan 8.270 nan 0.000 0.455 73 M N 3.963 123.580 119.600 0.029 0.000 2.061 73 M HA 0.173 4.653 4.480 0.000 0.000 0.346 73 M C -0.479 175.901 176.300 0.133 0.000 1.112 73 M CA -0.947 54.415 55.300 0.103 0.000 1.021 73 M CB 0.663 33.377 32.600 0.190 0.000 1.530 73 M HN 0.458 nan 8.290 nan 0.000 0.437 74 N N 2.925 121.706 118.700 0.136 0.000 2.469 74 N HA 0.201 4.941 4.740 0.000 0.000 0.239 74 N C -0.404 175.218 175.510 0.188 0.000 1.053 74 N CA -0.221 52.948 53.050 0.199 0.000 0.937 74 N CB 0.133 38.749 38.487 0.214 0.000 1.163 74 N HN 0.331 nan 8.380 nan 0.000 0.509 75 F N 1.325 121.238 119.950 -0.062 0.000 2.802 75 F HA 0.085 4.612 4.527 0.000 0.000 0.302 75 F C 2.170 178.029 175.800 0.099 0.000 1.211 75 F CA 0.114 58.122 58.000 0.014 0.000 1.431 75 F CB -0.374 38.606 39.000 -0.033 0.000 1.114 75 F HN 0.467 nan 8.300 nan 0.000 0.567 76 S N -1.543 114.289 115.700 0.220 0.000 2.481 76 S HA -0.031 4.439 4.470 0.000 0.000 0.231 76 S C 0.262 174.687 174.600 -0.293 0.000 0.996 76 S CA 0.673 58.887 58.200 0.024 0.000 0.942 76 S CB -0.257 62.989 63.200 0.076 0.000 0.768 76 S HN 0.409 nan 8.310 nan 0.000 0.520 77 H N -1.829 117.309 119.070 0.114 0.000 2.943 77 H HA 0.602 5.159 4.556 0.000 0.000 0.323 77 H C 0.274 175.596 175.328 -0.009 0.000 1.296 77 H CA -0.223 55.844 56.048 0.031 0.000 1.155 77 H CB 0.857 30.609 29.762 -0.016 0.000 1.882 77 H HN 0.210 nan 8.280 nan 0.000 0.553 78 G N 0.008 108.772 108.800 -0.061 0.000 2.814 78 G HA2 0.027 3.987 3.960 0.000 0.000 0.677 78 G HA3 0.027 3.987 3.960 0.000 0.000 0.677 78 G C -0.086 174.672 174.900 -0.236 0.000 1.429 78 G CA -0.322 44.559 45.100 -0.366 0.000 0.868 78 G HN 0.997 nan 8.290 nan 0.000 0.553 79 T N -3.023 111.376 114.554 -0.258 0.000 2.952 79 T HA 0.647 4.997 4.350 0.000 0.000 0.286 79 T C 1.238 175.887 174.700 -0.085 0.000 1.024 79 T CA 0.354 62.383 62.100 -0.117 0.000 1.029 79 T CB 1.633 70.454 68.868 -0.079 0.000 1.094 79 T HN 0.707 nan 8.240 nan 0.000 0.515 80 H N -0.263 118.661 119.070 -0.243 0.000 2.387 80 H HA -0.111 4.445 4.556 0.000 0.000 0.299 80 H C 2.145 177.366 175.328 -0.178 0.000 1.099 80 H CA 1.608 57.379 56.048 -0.461 0.000 1.315 80 H CB 0.312 29.671 29.762 -0.671 0.000 1.380 80 H HN 0.811 nan 8.280 nan 0.000 0.513 81 E N 0.546 120.777 120.200 0.051 0.000 2.085 81 E HA -0.227 4.123 4.350 0.000 0.000 0.194 81 E C 1.898 178.526 176.600 0.046 0.000 0.994 81 E CA 0.981 57.424 56.400 0.071 0.000 0.801 81 E CB -0.098 29.630 29.700 0.047 0.000 0.743 81 E HN 0.444 nan 8.360 nan 0.000 0.453 82 Y N 1.313 121.521 120.300 -0.154 0.000 2.070 82 Y HA -0.287 4.263 4.550 0.000 0.000 0.279 82 Y C 2.474 178.259 175.900 -0.192 0.000 1.134 82 Y CA 2.369 60.326 58.100 -0.237 0.000 1.113 82 Y CB -0.534 37.660 38.460 -0.442 0.000 0.981 82 Y HN 0.211 nan 8.280 nan 0.000 0.487 83 H N -0.412 118.687 119.070 0.048 0.000 2.387 83 H HA -0.135 4.421 4.556 0.000 0.000 0.299 83 H C 2.330 177.741 175.328 0.138 0.000 1.099 83 H CA 1.205 57.268 56.048 0.025 0.000 1.315 83 H CB -1.017 28.689 29.762 -0.093 0.000 1.380 83 H HN 0.517 nan 8.280 nan 0.000 0.513 84 A N 1.012 124.048 122.820 0.361 0.000 1.917 84 A HA -0.247 4.073 4.320 0.000 0.000 0.219 84 A C 2.400 180.050 177.584 0.110 0.000 1.182 84 A CA 2.030 54.269 52.037 0.337 0.000 0.633 84 A CB -0.459 18.758 19.000 0.361 0.000 0.819 84 A HN 0.555 nan 8.150 nan 0.000 0.448 85 E N -1.050 119.152 120.200 0.002 0.000 2.158 85 E HA -0.103 4.247 4.350 0.000 0.000 0.191 85 E C 1.907 178.444 176.600 -0.105 0.000 0.982 85 E CA 1.282 57.639 56.400 -0.072 0.000 0.823 85 E CB -0.097 29.521 29.700 -0.137 0.000 0.766 85 E HN 0.570 nan 8.360 nan 0.000 0.468 86 T N 1.497 115.956 114.554 -0.157 0.000 2.652 86 T HA -0.161 4.189 4.350 0.000 0.000 0.267 86 T C 1.903 176.593 174.700 -0.017 0.000 1.039 86 T CA 1.534 63.563 62.100 -0.118 0.000 1.153 86 T CB -0.259 68.565 68.868 -0.074 0.000 0.863 86 T HN 0.186 nan 8.240 nan 0.000 0.428 87 I N 1.192 121.785 120.570 0.037 0.000 2.208 87 I HA -0.228 3.942 4.170 0.000 0.000 0.245 87 I C 2.642 178.766 176.117 0.011 0.000 1.097 87 I CA 1.433 62.755 61.300 0.037 0.000 1.363 87 I CB -0.393 37.639 38.000 0.054 0.000 1.051 87 I HN 0.254 nan 8.210 nan 0.000 0.413 88 K N 1.240 121.643 120.400 0.004 0.000 2.032 88 K HA -0.226 4.094 4.320 0.000 0.000 0.209 88 K C 1.926 178.520 176.600 -0.011 0.000 1.048 88 K CA 1.910 58.194 56.287 -0.005 0.000 0.927 88 K CB -0.076 32.419 32.500 -0.008 0.000 0.712 88 K HN 0.268 nan 8.250 nan 0.000 0.441 89 N N 0.920 119.606 118.700 -0.023 0.000 2.084 89 N HA -0.156 4.584 4.740 0.000 0.000 0.190 89 N C 2.003 177.509 175.510 -0.007 0.000 1.030 89 N CA 1.825 54.861 53.050 -0.024 0.000 0.849 89 N CB -0.656 37.807 38.487 -0.039 0.000 1.012 89 N HN 0.323 nan 8.380 nan 0.000 0.423 90 V N -0.199 119.716 119.914 0.002 0.000 2.392 90 V HA -0.174 3.946 4.120 0.000 0.000 0.249 90 V C 2.239 178.351 176.094 0.030 0.000 1.059 90 V CA 1.480 63.791 62.300 0.018 0.000 1.051 90 V CB -0.669 31.166 31.823 0.020 0.000 0.658 90 V HN 0.110 nan 8.190 nan 0.000 0.455 91 R N 0.330 120.846 120.500 0.026 0.000 2.075 91 R HA -0.070 4.270 4.340 0.000 0.000 0.232 91 R C 2.560 178.881 176.300 0.035 0.000 1.126 91 R CA 1.993 58.117 56.100 0.040 0.000 0.963 91 R CB -0.844 29.471 30.300 0.026 0.000 0.858 91 R HN 0.619 nan 8.270 nan 0.000 0.435 92 T N 0.902 115.460 114.554 0.007 0.000 2.652 92 T HA -0.179 4.171 4.350 0.000 0.000 0.267 92 T C 1.951 176.632 174.700 -0.033 0.000 1.039 92 T CA 1.530 63.621 62.100 -0.015 0.000 1.153 92 T CB -0.344 68.507 68.868 -0.028 0.000 0.863 92 T HN 0.389 nan 8.240 nan 0.000 0.428 93 A N 1.284 124.089 122.820 -0.025 0.000 1.892 93 A HA -0.183 4.137 4.320 0.000 0.000 0.218 93 A C 2.567 180.143 177.584 -0.012 0.000 1.188 93 A CA 2.379 54.389 52.037 -0.045 0.000 0.631 93 A CB -1.427 17.581 19.000 0.014 0.000 0.822 93 A HN 0.487 nan 8.150 nan 0.000 0.447 94 T N 0.129 114.744 114.554 0.101 0.000 2.595 94 T HA -0.126 4.224 4.350 0.000 0.000 0.264 94 T C 1.714 176.605 174.700 0.319 0.000 1.058 94 T CA 1.554 63.794 62.100 0.234 0.000 1.166 94 T CB -0.346 68.637 68.868 0.192 0.000 0.863 94 T HN 0.493 nan 8.240 nan 0.000 0.415 95 E N 1.655 121.988 120.200 0.222 0.000 2.396 95 E HA -0.081 4.269 4.350 0.000 0.000 0.200 95 E C 2.416 179.045 176.600 0.048 0.000 1.023 95 E CA 0.862 57.369 56.400 0.178 0.000 0.857 95 E CB -0.605 29.137 29.700 0.070 0.000 0.775 95 E HN 0.678 nan 8.360 nan 0.000 0.525 96 S N -0.280 115.353 115.700 -0.111 0.000 2.442 96 S HA -0.106 4.364 4.470 0.000 0.000 0.236 96 S C 1.519 175.941 174.600 -0.296 0.000 1.007 96 S CA 0.583 58.610 58.200 -0.288 0.000 0.965 96 S CB -0.367 62.536 63.200 -0.494 0.000 0.773 96 S HN 0.157 nan 8.310 nan 0.000 0.504 97 F N 1.290 121.327 119.950 0.146 0.000 2.731 97 F HA 0.575 5.102 4.527 0.000 0.000 0.298 97 F C 2.385 178.325 175.800 0.233 0.000 1.106 97 F CA -0.487 57.617 58.000 0.174 0.000 1.329 97 F CB -0.638 38.470 39.000 0.180 0.000 1.100 97 F HN 0.240 nan 8.300 nan 0.000 0.592 98 A N -0.159 122.860 122.820 0.331 0.000 2.204 98 A HA -0.250 4.070 4.320 0.000 0.000 0.220 98 A C 2.394 179.959 177.584 -0.033 0.000 1.165 98 A CA 1.759 53.763 52.037 -0.056 0.000 0.671 98 A CB -0.982 17.907 19.000 -0.185 0.000 0.792 98 A HN 0.367 nan 8.150 nan 0.000 0.473 99 S N 0.122 115.860 115.700 0.064 0.000 2.462 99 S HA -0.193 4.278 4.470 0.000 0.000 0.219 99 S C 0.877 175.508 174.600 0.053 0.000 1.048 99 S CA 1.270 59.497 58.200 0.045 0.000 1.119 99 S CB -0.498 62.741 63.200 0.065 0.000 1.100 99 S HN 0.582 nan 8.310 nan 0.000 0.411 100 D N 2.271 122.730 120.400 0.098 0.000 2.346 100 D HA 0.197 4.837 4.640 0.000 0.000 0.260 100 D C -1.448 174.923 176.300 0.117 0.000 1.252 100 D CA -1.944 52.108 54.000 0.087 0.000 0.895 100 D CB 1.507 42.359 40.800 0.087 0.000 1.097 100 D HN 0.248 nan 8.370 nan 0.000 0.489 101 P HA -0.098 nan 4.420 nan 0.000 0.225 101 P C 1.583 178.959 177.300 0.126 0.000 1.148 101 P CA 0.631 63.793 63.100 0.102 0.000 0.779 101 P CB 0.436 32.164 31.700 0.046 0.000 0.780 102 I N -1.101 119.519 120.570 0.084 0.000 2.584 102 I HA -0.076 4.094 4.170 0.000 0.000 0.255 102 I C 1.909 178.057 176.117 0.052 0.000 1.145 102 I CA 0.707 62.037 61.300 0.049 0.000 1.462 102 I CB -0.162 37.841 38.000 0.005 0.000 1.102 102 I HN -0.115 nan 8.210 nan 0.000 0.433 103 L N -0.525 120.746 121.223 0.080 0.000 2.664 103 L HA 0.119 4.459 4.340 0.000 0.000 0.233 103 L C 0.472 177.388 176.870 0.077 0.000 1.113 103 L CA 0.214 55.082 54.840 0.046 0.000 0.896 103 L CB -0.942 41.132 42.059 0.023 0.000 1.163 103 L HN 0.162 nan 8.230 nan 0.000 0.497 104 Y N 2.450 122.781 120.300 0.052 0.000 2.544 104 Y HA 0.186 4.736 4.550 0.000 0.000 0.330 104 Y C 0.334 176.267 175.900 0.055 0.000 1.136 104 Y CA -0.014 58.139 58.100 0.087 0.000 1.417 104 Y CB 0.300 38.829 38.460 0.115 0.000 1.229 104 Y HN 0.000 nan 8.280 nan 0.000 0.532 105 R N 7.807 127.939 120.500 -0.612 0.000 2.393 105 R HA 0.380 4.720 4.340 0.000 0.000 0.315 105 R C -2.642 173.222 176.300 -0.727 0.000 0.952 105 R CA -1.942 53.843 56.100 -0.524 0.000 0.842 105 R CB 1.241 31.337 30.300 -0.340 0.000 1.163 105 R HN 0.507 nan 8.270 nan 0.000 0.450 106 P HA 0.055 nan 4.420 nan 0.000 0.269 106 P C -0.945 176.322 177.300 -0.054 0.000 1.209 106 P CA -0.246 62.730 63.100 -0.206 0.000 0.776 106 P CB 0.827 32.556 31.700 0.048 0.000 0.876 107 V N 2.187 122.083 119.914 -0.030 0.000 2.482 107 V HA 0.538 4.658 4.120 0.000 0.000 0.295 107 V C 0.218 176.309 176.094 -0.005 0.000 1.026 107 V CA -0.921 61.330 62.300 -0.082 0.000 0.856 107 V CB 1.399 33.179 31.823 -0.071 0.000 1.001 107 V HN 0.678 nan 8.190 nan 0.000 0.424 108 A N 4.596 127.409 122.820 -0.010 0.000 2.386 108 A HA 0.709 5.029 4.320 0.000 0.000 0.248 108 A C -0.263 177.318 177.584 -0.006 0.000 1.082 108 A CA -0.227 51.832 52.037 0.037 0.000 0.789 108 A CB 0.760 19.809 19.000 0.083 0.000 1.025 108 A HN 0.747 nan 8.150 nan 0.000 0.490 109 V N 1.252 121.157 119.914 -0.014 0.000 2.409 109 V HA 0.612 4.732 4.120 0.000 0.000 0.291 109 V C 0.366 176.389 176.094 -0.119 0.000 1.020 109 V CA -0.029 62.242 62.300 -0.049 0.000 0.848 109 V CB 1.044 32.847 31.823 -0.034 0.000 0.990 109 V HN 1.180 nan 8.190 nan 0.000 0.430 110 A N 5.362 128.057 122.820 -0.209 0.000 2.342 110 A HA 0.860 5.180 4.320 0.000 0.000 0.323 110 A C -0.999 176.324 177.584 -0.435 0.000 1.125 110 A CA -0.568 51.193 52.037 -0.460 0.000 0.785 110 A CB 1.340 19.791 19.000 -0.915 0.000 1.221 110 A HN 0.879 nan 8.150 nan 0.000 0.463 111 L N 2.370 123.330 121.223 -0.439 0.000 2.272 111 L HA 0.414 4.754 4.340 0.000 0.000 0.289 111 L C -0.840 175.824 176.870 -0.344 0.000 1.032 111 L CA -0.514 54.117 54.840 -0.348 0.000 0.810 111 L CB 1.023 42.818 42.059 -0.440 0.000 1.205 111 L HN 0.718 nan 8.230 nan 0.000 0.422 112 D N 3.916 124.225 120.400 -0.151 0.000 2.373 112 D HA 0.135 4.775 4.640 0.000 0.000 0.227 112 D C -0.351 175.978 176.300 0.049 0.000 1.091 112 D CA -0.217 53.787 54.000 0.007 0.000 0.840 112 D CB 1.359 42.239 40.800 0.134 0.000 1.060 112 D HN 0.463 nan 8.370 nan 0.000 0.502 113 T N 3.362 117.924 114.554 0.014 0.000 2.946 113 T HA -0.057 4.293 4.350 0.000 0.000 0.311 113 T C 0.621 175.391 174.700 0.115 0.000 1.063 113 T CA 0.174 62.296 62.100 0.035 0.000 1.139 113 T CB 0.651 69.537 68.868 0.030 0.000 0.994 113 T HN 0.225 nan 8.240 nan 0.000 0.547 114 K N 3.339 123.830 120.400 0.152 0.000 2.319 114 K HA 0.261 4.582 4.320 0.000 0.000 0.237 114 K C 0.740 177.446 176.600 0.176 0.000 1.113 114 K CA -0.439 55.949 56.287 0.168 0.000 1.072 114 K CB -0.116 32.477 32.500 0.154 0.000 1.734 114 K HN 0.769 nan 8.250 nan 0.000 0.429 115 G N 3.016 111.965 108.800 0.247 0.000 2.466 115 G HA2 0.013 3.973 3.960 0.000 0.000 0.279 115 G HA3 0.013 3.973 3.960 0.000 0.000 0.279 115 G C -2.057 172.959 174.900 0.192 0.000 1.410 115 G CA -0.741 44.528 45.100 0.281 0.000 1.065 115 G HN 0.485 nan 8.290 nan 0.000 0.547 116 P HA 0.083 nan 4.420 nan 0.000 0.252 116 P C -0.467 176.594 177.300 -0.398 0.000 1.635 116 P CA 0.496 63.519 63.100 -0.128 0.000 1.206 116 P CB -0.510 31.106 31.700 -0.140 0.000 1.911 117 E N 2.780 122.840 120.200 -0.234 0.000 2.244 117 E HA 0.575 4.925 4.350 0.000 0.000 0.266 117 E C -0.833 175.646 176.600 -0.201 0.000 0.914 117 E CA -1.264 54.960 56.400 -0.292 0.000 0.794 117 E CB 1.585 31.294 29.700 0.015 0.000 1.210 117 E HN 0.156 nan 8.360 nan 0.000 0.414 118 I N 1.817 122.259 120.570 -0.212 0.000 2.377 118 I HA 0.455 4.625 4.170 0.000 0.000 0.293 118 I C 0.219 176.294 176.117 -0.071 0.000 0.987 118 I CA -0.792 60.417 61.300 -0.152 0.000 1.185 118 I CB 1.277 39.163 38.000 -0.190 0.000 1.341 118 I HN 0.407 nan 8.210 nan 0.000 0.455 119 R N 2.765 123.228 120.500 -0.061 0.000 2.771 119 R HA 0.518 4.858 4.340 0.000 0.000 0.274 119 R C -0.537 175.744 176.300 -0.031 0.000 0.987 119 R CA -0.771 55.323 56.100 -0.011 0.000 0.908 119 R CB 2.630 32.948 30.300 0.029 0.000 1.213 119 R HN 0.738 nan 8.270 nan 0.000 0.468 120 T N -1.468 113.111 114.554 0.043 0.000 2.824 120 T HA 0.514 4.864 4.350 0.000 0.000 0.277 120 T C 0.802 175.658 174.700 0.260 0.000 0.975 120 T CA -0.516 61.638 62.100 0.091 0.000 0.966 120 T CB 1.415 70.345 68.868 0.104 0.000 1.054 120 T HN 0.598 nan 8.240 nan 0.000 0.533 121 G N -0.019 109.053 108.800 0.453 0.000 2.543 121 G HA2 0.531 4.491 3.960 0.000 0.000 0.267 121 G HA3 0.531 4.491 3.960 0.000 0.000 0.267 121 G C -0.573 174.476 174.900 0.247 0.000 1.406 121 G CA -0.990 44.409 45.100 0.499 0.000 1.048 121 G HN 0.651 nan 8.290 nan 0.000 0.548 122 L N 0.215 121.533 121.223 0.159 0.000 2.375 122 L HA 0.411 4.751 4.340 0.000 0.000 0.271 122 L C 0.628 177.559 176.870 0.100 0.000 1.107 122 L CA -0.280 54.622 54.840 0.103 0.000 0.806 122 L CB 1.061 43.152 42.059 0.054 0.000 1.146 122 L HN 0.301 nan 8.230 nan 0.000 0.447 123 I N 1.999 122.622 120.570 0.088 0.000 2.532 123 I HA 0.136 4.306 4.170 0.000 0.000 0.292 123 I C 1.770 177.926 176.117 0.065 0.000 1.014 123 I CA -0.194 61.157 61.300 0.084 0.000 1.340 123 I CB 1.082 39.133 38.000 0.085 0.000 1.422 123 I HN 0.814 nan 8.210 nan 0.000 0.528 124 K N 4.670 125.110 120.400 0.067 0.000 2.250 124 K HA -0.289 4.031 4.320 0.000 0.000 0.217 124 K C 1.555 178.178 176.600 0.038 0.000 1.010 124 K CA 2.889 59.208 56.287 0.054 0.000 0.937 124 K CB -1.642 30.890 32.500 0.054 0.000 0.892 124 K HN 1.303 nan 8.250 nan 0.000 0.481 125 G N -3.172 105.651 108.800 0.038 0.000 2.981 125 G HA2 -0.185 3.775 3.960 0.000 0.000 0.199 125 G HA3 -0.185 3.775 3.960 0.000 0.000 0.199 125 G C 1.557 176.471 174.900 0.023 0.000 1.586 125 G CA 0.924 46.040 45.100 0.027 0.000 1.162 125 G HN 1.737 nan 8.290 nan 0.000 0.538 126 S N 1.392 117.106 115.700 0.023 0.000 2.631 126 S HA 0.472 4.942 4.470 0.000 0.000 0.217 126 S C 1.627 176.243 174.600 0.027 0.000 0.958 126 S CA 1.203 59.414 58.200 0.020 0.000 0.920 126 S CB 0.659 63.869 63.200 0.016 0.000 0.776 126 S HN 1.620 nan 8.310 nan 0.000 0.517 127 G N 0.456 109.279 108.800 0.037 0.000 3.702 127 G HA2 0.409 4.369 3.960 0.000 0.000 0.288 127 G HA3 0.409 4.369 3.960 0.000 0.000 0.288 127 G C 0.325 175.259 174.900 0.056 0.000 1.193 127 G CA -0.050 45.081 45.100 0.051 0.000 0.952 127 G HN 0.421 nan 8.290 nan 0.000 0.544 128 T N -0.929 113.645 114.554 0.032 0.000 5.496 128 T HA -0.264 4.086 4.350 0.000 0.000 0.269 128 T C 1.712 176.427 174.700 0.025 0.000 2.195 128 T CA 1.263 63.372 62.100 0.014 0.000 3.732 128 T CB -1.782 67.085 68.868 -0.001 0.000 0.680 128 T HN 1.972 nan 8.240 nan 0.000 1.131 129 A N -0.302 122.541 122.820 0.038 0.000 2.869 129 A HA -0.235 4.085 4.320 0.000 0.000 0.272 129 A C 0.287 177.910 177.584 0.066 0.000 1.332 129 A CA 2.296 54.359 52.037 0.045 0.000 0.939 129 A CB -1.265 17.752 19.000 0.029 0.000 1.018 129 A HN 0.872 nan 8.150 nan 0.000 0.696 130 E N -0.845 119.406 120.200 0.086 0.000 2.378 130 E HA 0.442 4.792 4.350 0.000 0.000 0.282 130 E C -0.203 176.527 176.600 0.217 0.000 0.910 130 E CA -0.565 55.920 56.400 0.142 0.000 0.816 130 E CB 1.831 31.609 29.700 0.131 0.000 1.359 130 E HN 0.236 nan 8.360 nan 0.000 0.397 131 V N 1.299 121.324 119.914 0.184 0.000 3.751 131 V HA 0.451 4.572 4.120 0.000 0.000 0.279 131 V C 0.710 176.913 176.094 0.181 0.000 1.010 131 V CA 0.187 62.584 62.300 0.161 0.000 1.015 131 V CB 1.000 32.873 31.823 0.082 0.000 1.240 131 V HN 0.828 nan 8.190 nan 0.000 0.438 132 E N 1.077 121.275 120.200 -0.005 0.000 2.731 132 E HA 0.511 4.861 4.350 0.000 0.000 0.248 132 E C -1.080 175.360 176.600 -0.268 0.000 1.084 132 E CA -0.666 55.517 56.400 -0.361 0.000 0.776 132 E CB 0.769 30.195 29.700 -0.457 0.000 1.404 132 E HN 0.462 nan 8.360 nan 0.000 0.395 133 L N 1.554 122.646 121.223 -0.220 0.000 2.418 133 L HA 0.487 4.827 4.340 0.000 0.000 0.274 133 L C 0.988 177.756 176.870 -0.170 0.000 1.135 133 L CA -0.114 54.640 54.840 -0.143 0.000 0.870 133 L CB -0.363 41.638 42.059 -0.097 0.000 1.154 133 L HN 0.714 nan 8.230 nan 0.000 0.462 134 K N 2.451 122.776 120.400 -0.125 0.000 2.172 134 K HA 0.578 4.898 4.320 0.000 0.000 0.276 134 K C 0.542 177.096 176.600 -0.077 0.000 1.013 134 K CA -0.380 55.842 56.287 -0.107 0.000 0.913 134 K CB 0.125 32.577 32.500 -0.080 0.000 1.055 134 K HN 0.653 nan 8.250 nan 0.000 0.461 135 K N 0.752 121.111 120.400 -0.068 0.000 2.320 135 K HA 0.416 4.736 4.320 0.000 0.000 0.273 135 K C 1.391 177.967 176.600 -0.040 0.000 1.146 135 K CA 0.715 56.972 56.287 -0.049 0.000 1.144 135 K CB -1.286 31.192 32.500 -0.037 0.000 0.878 135 K HN 2.245 nan 8.250 nan 0.000 0.458 136 G N -0.167 108.608 108.800 -0.041 0.000 2.284 136 G HA2 0.187 4.147 3.960 0.000 0.000 0.201 136 G HA3 0.187 4.147 3.960 0.000 0.000 0.201 136 G C 0.717 175.596 174.900 -0.035 0.000 0.998 136 G CA 0.212 45.291 45.100 -0.035 0.000 0.651 136 G HN 1.846 nan 8.290 nan 0.000 0.489 137 A N 0.013 122.809 122.820 -0.040 0.000 2.409 137 A HA 0.659 4.979 4.320 0.000 0.000 0.246 137 A C 0.716 178.279 177.584 -0.035 0.000 1.099 137 A CA 1.428 53.443 52.037 -0.036 0.000 0.789 137 A CB 0.348 19.323 19.000 -0.042 0.000 1.053 137 A HN 1.254 nan 8.150 nan 0.000 0.503 138 T N 0.409 114.946 114.554 -0.028 0.000 2.829 138 T HA 0.552 4.902 4.350 0.000 0.000 0.282 138 T C -0.787 173.899 174.700 -0.024 0.000 0.990 138 T CA -0.393 61.691 62.100 -0.026 0.000 1.028 138 T CB -0.029 68.829 68.868 -0.016 0.000 0.951 138 T HN 0.533 nan 8.240 nan 0.000 0.460 139 L N 4.776 125.983 121.223 -0.027 0.000 2.409 139 L HA 0.590 4.931 4.340 0.000 0.000 0.272 139 L C -0.570 176.292 176.870 -0.014 0.000 0.980 139 L CA -0.875 53.951 54.840 -0.022 0.000 0.826 139 L CB 1.710 43.751 42.059 -0.030 0.000 1.268 139 L HN 0.611 nan 8.230 nan 0.000 0.407 140 K N 5.893 126.294 120.400 0.001 0.000 2.253 140 K HA 0.479 4.799 4.320 0.000 0.000 0.277 140 K C -0.820 175.797 176.600 0.028 0.000 1.053 140 K CA -0.478 55.829 56.287 0.034 0.000 0.892 140 K CB 0.865 33.402 32.500 0.062 0.000 1.102 140 K HN 0.563 nan 8.250 nan 0.000 0.469 141 I N 3.370 123.956 120.570 0.028 0.000 2.395 141 I HA 0.100 4.270 4.170 0.000 0.000 0.289 141 I C 0.417 176.582 176.117 0.081 0.000 1.023 141 I CA -0.149 61.165 61.300 0.023 0.000 1.350 141 I CB 1.692 39.676 38.000 -0.025 0.000 1.409 141 I HN 0.638 nan 8.210 nan 0.000 0.507 142 T N 5.941 120.554 114.554 0.098 0.000 2.893 142 T HA 0.530 4.880 4.350 0.000 0.000 0.291 142 T C 0.317 175.137 174.700 0.201 0.000 1.028 142 T CA -0.587 61.621 62.100 0.180 0.000 0.995 142 T CB 1.304 70.279 68.868 0.179 0.000 1.051 142 T HN 0.492 nan 8.240 nan 0.000 0.470 143 L N 1.944 123.302 121.223 0.225 0.000 2.664 143 L HA 0.346 4.686 4.340 0.000 0.000 0.233 143 L C 0.563 177.730 176.870 0.496 0.000 1.113 143 L CA -0.175 54.783 54.840 0.197 0.000 0.896 143 L CB 0.222 42.323 42.059 0.070 0.000 1.163 143 L HN 0.650 nan 8.230 nan 0.000 0.497 144 D N 0.607 121.291 120.400 0.473 0.000 2.363 144 D HA -0.061 4.580 4.640 0.000 0.000 0.263 144 D C 0.908 177.358 176.300 0.251 0.000 1.258 144 D CA 0.296 54.505 54.000 0.349 0.000 0.907 144 D CB 0.306 41.295 40.800 0.314 0.000 1.107 144 D HN 0.120 nan 8.370 nan 0.000 0.495 145 N N 3.051 121.814 118.700 0.105 0.000 2.659 145 N HA -0.203 4.537 4.740 0.000 0.000 0.194 145 N C 1.313 176.572 175.510 -0.418 0.000 1.140 145 N CA 0.379 53.264 53.050 -0.274 0.000 0.936 145 N CB 0.147 38.569 38.487 -0.108 0.000 0.970 145 N HN 0.513 nan 8.380 nan 0.000 0.449 146 A N 0.699 123.324 122.820 -0.325 0.000 1.872 146 A HA -0.110 4.210 4.320 0.000 0.000 0.214 146 A C 1.171 178.427 177.584 -0.545 0.000 1.187 146 A CA 0.961 52.719 52.037 -0.465 0.000 0.614 146 A CB -0.581 18.059 19.000 -0.600 0.000 0.826 146 A HN 0.334 nan 8.150 nan 0.000 0.442 147 Y N -0.508 119.681 120.300 -0.185 0.000 2.477 147 Y HA 0.171 4.721 4.550 0.000 0.000 0.303 147 Y C 1.942 177.695 175.900 -0.245 0.000 1.202 147 Y CA 0.337 58.363 58.100 -0.123 0.000 1.282 147 Y CB -0.662 37.811 38.460 0.021 0.000 1.071 147 Y HN 0.364 nan 8.280 nan 0.000 0.510 148 M N 0.348 119.610 119.600 -0.563 0.000 2.192 148 M HA -0.282 4.198 4.480 0.000 0.000 0.259 148 M C 0.512 176.604 176.300 -0.347 0.000 1.071 148 M CA 2.083 56.787 55.300 -0.992 0.000 1.082 148 M CB 0.097 31.984 32.600 -1.189 0.000 1.373 148 M HN 0.299 nan 8.290 nan 0.000 0.408 149 E N -0.844 119.240 120.200 -0.193 0.000 2.812 149 E HA 0.142 4.493 4.350 0.000 0.000 0.211 149 E C -0.300 176.298 176.600 -0.003 0.000 0.986 149 E CA -0.044 56.315 56.400 -0.068 0.000 1.119 149 E CB 0.761 30.409 29.700 -0.087 0.000 1.046 149 E HN 0.305 nan 8.360 nan 0.000 0.474 150 K N 0.928 121.355 120.400 0.045 0.000 2.992 150 K HA 0.363 4.683 4.320 0.000 0.000 0.178 150 K C -0.853 175.842 176.600 0.159 0.000 1.122 150 K CA -0.482 55.862 56.287 0.095 0.000 0.926 150 K CB -0.376 32.181 32.500 0.095 0.000 1.121 150 K HN 0.097 nan 8.250 nan 0.000 0.610 151 C N 3.210 122.590 119.300 0.134 0.000 2.265 151 C HA 0.595 5.055 4.460 0.000 0.000 0.332 151 C C 0.043 175.088 174.990 0.091 0.000 1.248 151 C CA -1.023 58.074 59.018 0.132 0.000 1.727 151 C CB -0.305 27.525 27.740 0.151 0.000 2.348 151 C HN 0.825 nan 8.230 nan 0.000 0.519 152 D N 1.182 121.622 120.400 0.066 0.000 2.564 152 D HA 0.125 4.765 4.640 0.000 0.000 0.273 152 D C 0.664 176.983 176.300 0.032 0.000 1.192 152 D CA -0.530 53.498 54.000 0.047 0.000 1.080 152 D CB 0.641 41.459 40.800 0.031 0.000 1.160 152 D HN 0.604 nan 8.370 nan 0.000 0.607 153 E N -0.667 119.545 120.200 0.021 0.000 2.511 153 E HA -0.056 4.294 4.350 0.000 0.000 0.196 153 E C 0.138 176.734 176.600 -0.007 0.000 1.066 153 E CA 0.465 56.867 56.400 0.004 0.000 0.871 153 E CB 0.105 29.803 29.700 -0.003 0.000 0.863 153 E HN 0.261 nan 8.360 nan 0.000 0.520 154 N N -1.079 117.616 118.700 -0.009 0.000 2.419 154 N HA 0.142 4.883 4.740 0.000 0.000 0.216 154 N C -0.726 174.762 175.510 -0.038 0.000 1.118 154 N CA -0.056 52.981 53.050 -0.021 0.000 0.850 154 N CB 0.928 39.401 38.487 -0.024 0.000 1.292 154 N HN -0.071 nan 8.380 nan 0.000 0.467 155 I N 1.270 121.812 120.570 -0.046 0.000 2.378 155 I HA 0.406 4.576 4.170 0.000 0.000 0.291 155 I C -1.203 174.918 176.117 0.006 0.000 0.992 155 I CA -0.803 60.446 61.300 -0.085 0.000 1.154 155 I CB 1.691 39.562 38.000 -0.216 0.000 1.315 155 I HN -0.063 nan 8.210 nan 0.000 0.448 156 L N 7.296 128.542 121.223 0.038 0.000 2.476 156 L HA 0.546 4.886 4.340 0.000 0.000 0.269 156 L C -1.835 175.140 176.870 0.176 0.000 0.965 156 L CA -0.352 54.551 54.840 0.106 0.000 0.845 156 L CB 1.451 43.545 42.059 0.058 0.000 1.259 156 L HN 0.655 nan 8.230 nan 0.000 0.403 157 W N 7.134 128.470 121.300 0.059 0.000 2.551 157 W HA 0.704 5.364 4.660 0.000 0.000 0.330 157 W C -1.581 174.981 176.519 0.071 0.000 1.063 157 W CA -0.683 56.710 57.345 0.081 0.000 1.222 157 W CB 1.536 31.069 29.460 0.121 0.000 1.349 157 W HN 0.511 nan 8.180 nan 0.000 0.536 158 L N 2.914 123.606 121.223 -0.886 0.000 2.409 158 L HA 0.527 4.867 4.340 0.000 0.000 0.262 158 L C 0.351 176.393 176.870 -1.380 0.000 0.992 158 L CA -0.883 53.459 54.840 -0.829 0.000 0.817 158 L CB 1.676 43.533 42.059 -0.337 0.000 1.350 158 L HN 0.538 nan 8.230 nan 0.000 0.411 159 D N -0.687 119.136 120.400 -0.962 0.000 2.371 159 D HA -0.138 4.502 4.640 0.000 0.000 0.221 159 D C 0.322 176.505 176.300 -0.196 0.000 0.986 159 D CA 0.691 54.337 54.000 -0.591 0.000 0.899 159 D CB -0.381 40.312 40.800 -0.178 0.000 0.902 159 D HN 0.534 nan 8.370 nan 0.000 0.530 160 Y N 2.331 122.445 120.300 -0.311 0.000 2.613 160 Y HA 0.181 4.731 4.550 0.000 0.000 0.354 160 Y C 1.007 176.813 175.900 -0.156 0.000 1.063 160 Y CA -1.198 56.791 58.100 -0.186 0.000 1.384 160 Y CB 0.451 38.813 38.460 -0.164 0.000 1.199 160 Y HN -0.296 nan 8.280 nan 0.000 0.517 161 K N 3.041 123.274 120.400 -0.277 0.000 2.057 161 K HA -0.183 4.137 4.320 0.000 0.000 0.207 161 K C 0.686 177.018 176.600 -0.447 0.000 1.049 161 K CA 1.484 57.605 56.287 -0.277 0.000 0.931 161 K CB -0.208 32.219 32.500 -0.123 0.000 0.714 161 K HN 0.732 nan 8.250 nan 0.000 0.440 162 N N 1.362 119.614 118.700 -0.747 0.000 2.421 162 N HA 0.043 4.783 4.740 0.000 0.000 0.201 162 N C 1.459 176.503 175.510 -0.777 0.000 1.198 162 N CA -0.226 52.440 53.050 -0.641 0.000 0.838 162 N CB -0.057 38.180 38.487 -0.417 0.000 1.011 162 N HN 0.139 nan 8.380 nan 0.000 0.463 163 I N 0.114 120.122 120.570 -0.937 0.000 2.248 163 I HA -0.360 3.810 4.170 0.000 0.000 0.248 163 I C 1.502 177.527 176.117 -0.153 0.000 1.107 163 I CA 1.322 62.403 61.300 -0.365 0.000 1.373 163 I CB 0.029 37.957 38.000 -0.119 0.000 1.055 163 I HN 0.281 nan 8.210 nan 0.000 0.418 164 C N 0.436 119.630 119.300 -0.177 0.000 2.500 164 C HA -0.054 4.406 4.460 0.000 0.000 0.273 164 C C 2.350 177.286 174.990 -0.091 0.000 1.428 164 C CA 0.357 59.305 59.018 -0.116 0.000 1.766 164 C CB -1.246 26.431 27.740 -0.105 0.000 1.817 164 C HN 0.452 nan 8.230 nan 0.000 0.543 165 K N 0.442 120.779 120.400 -0.104 0.000 2.444 165 K HA 0.133 4.453 4.320 0.000 0.000 0.193 165 K C 0.950 177.533 176.600 -0.028 0.000 1.024 165 K CA 0.517 56.765 56.287 -0.065 0.000 1.077 165 K CB 0.246 32.700 32.500 -0.075 0.000 0.833 165 K HN 0.322 nan 8.250 nan 0.000 0.517 166 V N 0.680 120.587 119.914 -0.012 0.000 3.537 166 V HA 0.135 4.255 4.120 0.000 0.000 0.315 166 V C -1.166 174.937 176.094 0.014 0.000 1.541 166 V CA -0.242 62.070 62.300 0.020 0.000 1.160 166 V CB 1.533 33.400 31.823 0.073 0.000 0.998 166 V HN 0.071 nan 8.190 nan 0.000 0.473 167 V N -1.433 118.476 119.914 -0.009 0.000 2.419 167 V HA 0.692 4.812 4.120 0.000 0.000 0.287 167 V C -0.737 175.332 176.094 -0.043 0.000 1.017 167 V CA -0.638 61.650 62.300 -0.019 0.000 0.844 167 V CB 1.321 33.134 31.823 -0.016 0.000 1.011 167 V HN 0.137 nan 8.190 nan 0.000 0.429 168 D N 2.665 123.042 120.400 -0.039 0.000 2.387 168 D HA 0.434 5.074 4.640 0.000 0.000 0.251 168 D C 0.289 176.556 176.300 -0.054 0.000 1.141 168 D CA -0.240 53.732 54.000 -0.047 0.000 0.987 168 D CB 2.389 43.167 40.800 -0.036 0.000 1.116 168 D HN 0.503 nan 8.370 nan 0.000 0.491 169 V N 0.714 120.592 119.914 -0.060 0.000 2.644 169 V HA 0.282 4.402 4.120 0.000 0.000 0.305 169 V C 1.590 177.654 176.094 -0.049 0.000 1.053 169 V CA 1.604 63.867 62.300 -0.062 0.000 1.186 169 V CB 0.364 32.151 31.823 -0.059 0.000 0.895 169 V HN 0.994 nan 8.190 nan 0.000 0.490 170 G N 3.544 112.312 108.800 -0.053 0.000 2.313 170 G HA2 -0.240 3.720 3.960 0.000 0.000 0.215 170 G HA3 -0.240 3.720 3.960 0.000 0.000 0.215 170 G C 0.426 175.300 174.900 -0.043 0.000 1.023 170 G CA 0.116 45.190 45.100 -0.044 0.000 0.626 170 G HN 1.304 nan 8.290 nan 0.000 0.503 171 S N 0.763 116.438 115.700 -0.042 0.000 2.573 171 S HA 0.582 5.052 4.470 0.000 0.000 0.277 171 S C -0.037 174.528 174.600 -0.058 0.000 1.346 171 S CA 0.337 58.516 58.200 -0.034 0.000 1.034 171 S CB 1.629 64.814 63.200 -0.025 0.000 0.879 171 S HN 0.442 nan 8.310 nan 0.000 0.528 172 K N 0.749 121.119 120.400 -0.050 0.000 2.159 172 K HA 0.611 4.931 4.320 0.000 0.000 0.266 172 K C -0.920 175.587 176.600 -0.156 0.000 0.975 172 K CA -0.694 55.501 56.287 -0.153 0.000 0.865 172 K CB 1.756 34.151 32.500 -0.175 0.000 1.087 172 K HN 0.535 nan 8.250 nan 0.000 0.446 173 V N 5.116 124.865 119.914 -0.276 0.000 2.407 173 V HA 0.453 4.573 4.120 0.000 0.000 0.291 173 V C -1.586 174.340 176.094 -0.281 0.000 1.018 173 V CA -0.580 61.624 62.300 -0.158 0.000 0.842 173 V CB 0.303 32.071 31.823 -0.092 0.000 0.996 173 V HN 0.618 nan 8.190 nan 0.000 0.426 174 Y N 4.490 124.784 120.300 -0.010 0.000 2.320 174 Y HA 0.718 5.268 4.550 0.000 0.000 0.324 174 Y C 0.320 176.222 175.900 0.003 0.000 1.190 174 Y CA -0.565 57.535 58.100 -0.000 0.000 1.215 174 Y CB 1.923 40.387 38.460 0.007 0.000 1.221 174 Y HN 0.443 nan 8.280 nan 0.000 0.486 175 V N 2.198 122.196 119.914 0.141 0.000 2.709 175 V HA 0.291 4.411 4.120 0.000 0.000 0.308 175 V C -0.801 175.357 176.094 0.106 0.000 1.062 175 V CA -1.255 61.103 62.300 0.096 0.000 0.901 175 V CB 1.711 33.564 31.823 0.050 0.000 1.003 175 V HN 0.868 nan 8.190 nan 0.000 0.425 176 D N 3.769 124.229 120.400 0.100 0.000 3.515 176 D HA -0.166 4.474 4.640 0.000 0.000 0.247 176 D C 0.263 176.621 176.300 0.097 0.000 1.084 176 D CA 1.286 55.345 54.000 0.097 0.000 1.030 176 D CB -0.788 40.068 40.800 0.092 0.000 0.946 176 D HN 1.103 nan 8.370 nan 0.000 0.420 177 D N 0.950 121.406 120.400 0.094 0.000 2.689 177 D HA -0.157 4.483 4.640 0.000 0.000 0.237 177 D C 1.209 177.553 176.300 0.074 0.000 1.148 177 D CA 2.701 56.747 54.000 0.077 0.000 0.656 177 D CB -1.182 39.659 40.800 0.068 0.000 1.050 177 D HN 1.141 nan 8.370 nan 0.000 0.426 178 G N -0.786 108.075 108.800 0.102 0.000 2.243 178 G HA2 -0.386 3.574 3.960 0.000 0.000 0.276 178 G HA3 -0.386 3.574 3.960 0.000 0.000 0.276 178 G C 1.290 176.296 174.900 0.176 0.000 0.997 178 G CA 0.782 45.966 45.100 0.140 0.000 0.693 178 G HN 0.594 nan 8.290 nan 0.000 0.529 179 L N -0.853 120.445 121.223 0.125 0.000 2.191 179 L HA 0.171 4.511 4.340 0.000 0.000 0.212 179 L C 1.482 178.418 176.870 0.111 0.000 1.103 179 L CA 0.875 55.778 54.840 0.105 0.000 0.769 179 L CB -0.121 41.989 42.059 0.084 0.000 0.908 179 L HN 0.309 nan 8.230 nan 0.000 0.438 180 I N -0.404 120.236 120.570 0.117 0.000 2.406 180 I HA 0.178 4.348 4.170 0.000 0.000 0.290 180 I C 0.006 176.147 176.117 0.041 0.000 0.999 180 I CA -0.314 61.024 61.300 0.063 0.000 1.124 180 I CB 1.839 39.857 38.000 0.031 0.000 1.289 180 I HN -0.011 nan 8.210 nan 0.000 0.441 181 S N 7.333 123.002 115.700 -0.053 0.000 2.568 181 S HA 0.873 5.343 4.470 0.000 0.000 0.302 181 S C -0.866 173.581 174.600 -0.256 0.000 1.082 181 S CA -0.778 57.236 58.200 -0.310 0.000 1.009 181 S CB 1.998 64.987 63.200 -0.353 0.000 1.069 181 S HN 0.500 nan 8.310 nan 0.000 0.500 182 L N 1.384 122.406 121.223 -0.335 0.000 2.422 182 L HA 0.573 4.913 4.340 0.000 0.000 0.264 182 L C -0.644 176.100 176.870 -0.211 0.000 0.984 182 L CA -0.659 54.056 54.840 -0.208 0.000 0.819 182 L CB 2.291 44.259 42.059 -0.151 0.000 1.330 182 L HN 0.785 nan 8.230 nan 0.000 0.410 183 Q N 1.884 121.597 119.800 -0.144 0.000 2.348 183 Q HA 0.404 4.744 4.340 0.000 0.000 0.265 183 Q C -1.190 174.751 176.000 -0.097 0.000 0.998 183 Q CA -0.711 55.021 55.803 -0.118 0.000 0.831 183 Q CB 2.157 30.840 28.738 -0.091 0.000 1.251 183 Q HN 0.516 nan 8.270 nan 0.000 0.456 184 V N 6.085 125.941 119.914 -0.097 0.000 2.441 184 V HA -0.075 4.045 4.120 0.000 0.000 0.279 184 V C 0.983 177.025 176.094 -0.086 0.000 0.990 184 V CA 0.473 62.715 62.300 -0.097 0.000 1.116 184 V CB 0.212 31.977 31.823 -0.098 0.000 0.977 184 V HN 0.781 nan 8.190 nan 0.000 0.470 185 K N 3.127 123.476 120.400 -0.084 0.000 2.166 185 K HA 0.093 4.414 4.320 0.000 0.000 0.201 185 K C 0.735 177.289 176.600 -0.078 0.000 1.052 185 K CA 0.773 57.018 56.287 -0.069 0.000 0.969 185 K CB 0.285 32.752 32.500 -0.055 0.000 0.761 185 K HN 0.770 nan 8.250 nan 0.000 0.459 186 Q N 0.536 120.270 119.800 -0.110 0.000 2.340 186 Q HA 0.239 4.579 4.340 0.000 0.000 0.276 186 Q C -1.245 174.614 176.000 -0.234 0.000 1.048 186 Q CA -0.616 55.106 55.803 -0.134 0.000 0.832 186 Q CB 2.146 30.823 28.738 -0.101 0.000 1.373 186 Q HN -0.172 nan 8.270 nan 0.000 0.409 187 K N 1.082 121.352 120.400 -0.217 0.000 2.155 187 K HA 0.797 5.117 4.320 0.000 0.000 0.237 187 K C -0.477 175.858 176.600 -0.441 0.000 1.040 187 K CA 0.515 56.638 56.287 -0.272 0.000 0.912 187 K CB 1.029 33.437 32.500 -0.154 0.000 1.137 187 K HN 0.713 nan 8.250 nan 0.000 0.498 188 G N -0.332 108.224 108.800 -0.406 0.000 2.550 188 G HA2 0.283 4.243 3.960 0.000 0.000 0.293 188 G HA3 0.283 4.243 3.960 0.000 0.000 0.293 188 G C -2.438 172.457 174.900 -0.009 0.000 1.402 188 G CA -0.675 44.227 45.100 -0.331 0.000 0.784 188 G HN 0.466 nan 8.290 nan 0.000 0.482 189 P HA 0.095 nan 4.420 nan 0.000 0.215 189 P C 0.295 177.665 177.300 0.116 0.000 1.160 189 P CA 1.771 64.952 63.100 0.135 0.000 0.869 189 P CB 0.326 32.114 31.700 0.146 0.000 0.782 190 D N -1.781 118.754 120.400 0.224 0.000 2.582 190 D HA 0.204 4.845 4.640 0.000 0.000 0.246 190 D C 0.071 176.525 176.300 0.257 0.000 1.334 190 D CA -0.625 53.473 54.000 0.162 0.000 0.805 190 D CB -0.505 40.373 40.800 0.130 0.000 1.087 190 D HN 0.197 nan 8.370 nan 0.000 0.499 191 F N -0.518 119.423 119.950 -0.016 0.000 2.685 191 F HA 0.773 5.300 4.527 0.000 0.000 0.315 191 F C -2.359 173.423 175.800 -0.031 0.000 1.126 191 F CA -1.836 56.153 58.000 -0.019 0.000 0.950 191 F CB 1.176 40.170 39.000 -0.010 0.000 1.360 191 F HN -0.206 nan 8.300 nan 0.000 0.469 192 L N 2.798 123.815 121.223 -0.344 0.000 2.505 192 L HA 0.600 4.940 4.340 0.000 0.000 0.266 192 L C -1.308 175.424 176.870 -0.230 0.000 0.954 192 L CA -1.133 53.450 54.840 -0.428 0.000 0.852 192 L CB 2.042 43.963 42.059 -0.230 0.000 1.282 192 L HN 0.791 nan 8.230 nan 0.000 0.403 193 V N 2.886 122.656 119.914 -0.241 0.000 2.394 193 V HA 0.762 4.882 4.120 0.000 0.000 0.282 193 V C 0.112 176.153 176.094 -0.089 0.000 1.031 193 V CA 0.243 62.495 62.300 -0.080 0.000 0.881 193 V CB 1.766 33.581 31.823 -0.014 0.000 0.982 193 V HN 0.920 nan 8.190 nan 0.000 0.451 194 T N 2.591 117.106 114.554 -0.065 0.000 2.888 194 T HA 0.606 4.956 4.350 0.000 0.000 0.288 194 T C -0.667 173.998 174.700 -0.059 0.000 1.063 194 T CA -0.736 61.320 62.100 -0.072 0.000 1.010 194 T CB 1.926 70.744 68.868 -0.083 0.000 1.214 194 T HN 0.784 nan 8.240 nan 0.000 0.533 195 E N 0.846 121.007 120.200 -0.065 0.000 2.176 195 E HA 0.511 4.861 4.350 0.000 0.000 0.267 195 E C -0.935 175.624 176.600 -0.068 0.000 0.893 195 E CA -0.954 55.412 56.400 -0.057 0.000 0.761 195 E CB 1.637 31.306 29.700 -0.051 0.000 1.133 195 E HN 0.558 nan 8.360 nan 0.000 0.409 196 V N 5.480 125.358 119.914 -0.061 0.000 2.485 196 V HA -0.033 4.087 4.120 0.000 0.000 0.287 196 V C 0.967 177.023 176.094 -0.064 0.000 1.022 196 V CA 0.621 62.881 62.300 -0.067 0.000 1.067 196 V CB 0.707 32.492 31.823 -0.063 0.000 0.967 196 V HN 0.830 nan 8.190 nan 0.000 0.479 197 E N 3.059 123.215 120.200 -0.072 0.000 2.094 197 E HA 0.085 4.435 4.350 0.000 0.000 0.193 197 E C 0.178 176.754 176.600 -0.039 0.000 0.950 197 E CA 0.195 56.562 56.400 -0.056 0.000 0.842 197 E CB 0.208 29.867 29.700 -0.068 0.000 0.816 197 E HN 0.612 nan 8.360 nan 0.000 0.465 198 N N 1.675 120.353 118.700 -0.037 0.000 2.439 198 N HA 0.185 4.925 4.740 0.000 0.000 0.249 198 N C -0.092 175.398 175.510 -0.033 0.000 1.003 198 N CA 0.038 53.079 53.050 -0.015 0.000 0.942 198 N CB 1.590 40.089 38.487 0.020 0.000 1.115 198 N HN 0.062 nan 8.380 nan 0.000 0.505 199 G N 0.324 109.096 108.800 -0.045 0.000 2.684 199 G HA2 0.526 4.486 3.960 0.000 0.000 0.255 199 G HA3 0.526 4.486 3.960 0.000 0.000 0.255 199 G C 0.286 175.132 174.900 -0.089 0.000 1.219 199 G CA 0.113 45.163 45.100 -0.084 0.000 0.901 199 G HN 0.656 nan 8.290 nan 0.000 0.548 200 G N -2.195 106.497 108.800 -0.179 0.000 2.337 200 G HA2 0.371 4.331 3.960 0.000 0.000 0.298 200 G HA3 0.371 4.331 3.960 0.000 0.000 0.298 200 G C -1.481 173.240 174.900 -0.299 0.000 1.335 200 G CA -1.021 43.985 45.100 -0.157 0.000 0.875 200 G HN 0.508 nan 8.290 nan 0.000 0.579 201 F N 0.895 120.861 119.950 0.026 0.000 2.303 201 F HA 0.472 4.999 4.527 0.000 0.000 0.368 201 F C 0.722 176.541 175.800 0.032 0.000 1.105 201 F CA -0.640 57.376 58.000 0.027 0.000 1.153 201 F CB 1.396 40.411 39.000 0.025 0.000 1.362 201 F HN 0.403 nan 8.300 nan 0.000 0.511 202 L N 3.453 124.757 121.223 0.135 0.000 2.525 202 L HA 0.372 4.712 4.340 0.000 0.000 0.278 202 L C 0.594 177.544 176.870 0.133 0.000 1.218 202 L CA 0.463 55.370 54.840 0.112 0.000 0.878 202 L CB 0.011 42.114 42.059 0.074 0.000 1.127 202 L HN 0.576 nan 8.230 nan 0.000 0.492 203 G N 3.031 111.900 108.800 0.115 0.000 2.568 203 G HA2 0.515 4.475 3.960 0.000 0.000 0.293 203 G HA3 0.515 4.475 3.960 0.000 0.000 0.293 203 G C -0.904 174.057 174.900 0.101 0.000 1.347 203 G CA -0.619 44.543 45.100 0.103 0.000 1.039 203 G HN 0.685 nan 8.290 nan 0.000 0.523 204 S N -0.665 115.092 115.700 0.094 0.000 2.541 204 S HA 0.356 4.826 4.470 0.000 0.000 0.283 204 S C 0.317 174.989 174.600 0.119 0.000 1.196 204 S CA -0.462 57.801 58.200 0.104 0.000 1.062 204 S CB 1.240 64.492 63.200 0.087 0.000 1.009 204 S HN 0.706 nan 8.310 nan 0.000 0.502 205 K N 1.594 122.079 120.400 0.141 0.000 3.730 205 K HA -0.186 4.134 4.320 0.000 0.000 0.276 205 K C -0.823 175.864 176.600 0.145 0.000 0.904 205 K CA 0.680 57.058 56.287 0.152 0.000 0.741 205 K CB -0.731 31.863 32.500 0.156 0.000 1.542 205 K HN 0.303 nan 8.250 nan 0.000 0.446 206 K N 0.467 120.941 120.400 0.123 0.000 2.095 206 K HA 0.354 4.674 4.320 0.000 0.000 0.252 206 K C 0.656 177.314 176.600 0.097 0.000 0.977 206 K CA -0.001 56.356 56.287 0.116 0.000 0.900 206 K CB 1.474 34.035 32.500 0.102 0.000 1.060 206 K HN 0.419 nan 8.250 nan 0.000 0.449 207 G N 0.285 109.147 108.800 0.103 0.000 2.483 207 G HA2 0.358 4.318 3.960 0.000 0.000 0.248 207 G HA3 0.358 4.318 3.960 0.000 0.000 0.248 207 G C -0.623 174.316 174.900 0.066 0.000 1.248 207 G CA -0.363 44.788 45.100 0.084 0.000 0.838 207 G HN 0.213 nan 8.290 nan 0.000 0.566 208 V N 3.064 122.996 119.914 0.030 0.000 2.604 208 V HA 0.394 4.514 4.120 0.000 0.000 0.305 208 V C -0.463 175.636 176.094 0.008 0.000 1.043 208 V CA -1.116 61.199 62.300 0.024 0.000 0.888 208 V CB 1.842 33.658 31.823 -0.011 0.000 0.995 208 V HN 0.744 nan 8.190 nan 0.000 0.429 209 N N 4.502 123.243 118.700 0.068 0.000 2.314 209 N HA 0.546 5.286 4.740 0.000 0.000 0.294 209 N C -1.087 174.485 175.510 0.104 0.000 1.029 209 N CA -0.462 52.625 53.050 0.061 0.000 0.845 209 N CB 2.828 41.364 38.487 0.083 0.000 1.321 209 N HN 0.504 nan 8.380 nan 0.000 0.481 210 L N 3.300 124.538 121.223 0.026 0.000 2.599 210 L HA 0.312 4.652 4.340 0.000 0.000 0.241 210 L C -2.085 174.810 176.870 0.041 0.000 1.207 210 L CA -1.551 53.315 54.840 0.043 0.000 0.987 210 L CB 0.721 42.774 42.059 -0.011 0.000 1.318 210 L HN 0.196 nan 8.230 nan 0.000 0.458 211 P HA -0.006 nan 4.420 nan 0.000 0.266 211 P C 0.608 177.927 177.300 0.032 0.000 1.195 211 P CA 0.643 63.769 63.100 0.042 0.000 0.768 211 P CB 0.881 32.598 31.700 0.028 0.000 0.838 212 G N 1.313 110.110 108.800 -0.006 0.000 2.363 212 G HA2 0.125 4.085 3.960 0.000 0.000 0.286 212 G HA3 0.125 4.085 3.960 0.000 0.000 0.286 212 G C -0.017 174.876 174.900 -0.012 0.000 0.975 212 G CA 0.091 45.175 45.100 -0.027 0.000 1.309 212 G HN 0.882 nan 8.290 nan 0.000 0.491 213 A N -0.053 122.758 122.820 -0.015 0.000 2.530 213 A HA 0.914 5.234 4.320 0.000 0.000 0.297 213 A C 0.150 177.727 177.584 -0.011 0.000 1.059 213 A CA 0.306 52.339 52.037 -0.006 0.000 0.782 213 A CB 0.617 19.620 19.000 0.006 0.000 1.301 213 A HN 2.269 nan 8.150 nan 0.000 0.394 214 A N 2.345 125.165 122.820 -0.000 0.000 2.993 214 A HA 0.478 4.798 4.320 0.000 0.000 0.281 214 A C 0.347 177.941 177.584 0.016 0.000 1.847 214 A CA 0.030 52.069 52.037 0.003 0.000 1.470 214 A CB -1.088 17.917 19.000 0.009 0.000 1.028 214 A HN 1.415 nan 8.150 nan 0.000 0.604 215 V N 3.105 123.000 119.914 -0.032 0.000 2.425 215 V HA -0.014 4.106 4.120 0.000 0.000 0.276 215 V C 0.751 176.824 176.094 -0.035 0.000 1.017 215 V CA 0.581 62.830 62.300 -0.084 0.000 1.062 215 V CB 0.292 31.932 31.823 -0.306 0.000 0.997 215 V HN 0.933 nan 8.190 nan 0.000 0.476 216 D N 3.900 124.362 120.400 0.103 0.000 2.413 216 D HA 0.113 4.753 4.640 0.000 0.000 0.237 216 D C 0.219 176.571 176.300 0.086 0.000 1.171 216 D CA -0.138 53.915 54.000 0.089 0.000 0.839 216 D CB -0.126 40.736 40.800 0.104 0.000 0.950 216 D HN 0.450 nan 8.370 nan 0.000 0.499 217 L N 0.945 122.173 121.223 0.009 0.000 2.436 217 L HA 0.313 4.653 4.340 0.000 0.000 0.265 217 L C -1.597 175.270 176.870 -0.006 0.000 1.168 217 L CA -1.847 52.993 54.840 0.001 0.000 0.815 217 L CB 0.438 42.419 42.059 -0.130 0.000 1.109 217 L HN 0.041 nan 8.230 nan 0.000 0.462 218 P HA 0.078 nan 4.420 nan 0.000 0.275 218 P C 0.020 177.336 177.300 0.025 0.000 1.227 218 P CA -0.322 62.793 63.100 0.024 0.000 0.781 218 P CB 1.414 33.135 31.700 0.035 0.000 0.906 219 A N 4.034 126.873 122.820 0.032 0.000 1.884 219 A HA -0.096 4.224 4.320 0.000 0.000 0.219 219 A C 1.050 178.668 177.584 0.058 0.000 1.197 219 A CA 1.600 53.666 52.037 0.048 0.000 0.637 219 A CB -1.011 18.014 19.000 0.040 0.000 0.827 219 A HN 0.463 nan 8.150 nan 0.000 0.450 220 V N 1.221 121.164 119.914 0.049 0.000 2.313 220 V HA 0.388 4.508 4.120 0.000 0.000 0.278 220 V C 0.558 176.682 176.094 0.050 0.000 1.017 220 V CA -0.169 62.162 62.300 0.051 0.000 0.823 220 V CB 0.713 32.562 31.823 0.045 0.000 1.010 220 V HN 0.638 nan 8.190 nan 0.000 0.443 221 S N 3.171 118.904 115.700 0.055 0.000 2.640 221 S HA 0.240 4.710 4.470 0.000 0.000 0.262 221 S C 1.090 175.724 174.600 0.056 0.000 1.232 221 S CA 0.165 58.397 58.200 0.054 0.000 0.988 221 S CB 1.214 64.448 63.200 0.057 0.000 1.034 221 S HN 0.654 nan 8.310 nan 0.000 0.569 222 E N 0.740 120.972 120.200 0.054 0.000 2.047 222 E HA -0.106 4.245 4.350 0.000 0.000 0.191 222 E C 1.989 178.627 176.600 0.063 0.000 0.987 222 E CA 1.679 58.111 56.400 0.053 0.000 0.799 222 E CB -0.392 29.336 29.700 0.047 0.000 0.752 222 E HN 0.738 nan 8.360 nan 0.000 0.449 223 K N 0.140 120.581 120.400 0.068 0.000 2.097 223 K HA -0.181 4.139 4.320 0.000 0.000 0.206 223 K C 1.398 178.066 176.600 0.113 0.000 1.049 223 K CA 1.709 58.048 56.287 0.086 0.000 0.933 223 K CB -0.149 32.404 32.500 0.088 0.000 0.717 223 K HN 0.099 nan 8.250 nan 0.000 0.442 224 D N 0.934 121.390 120.400 0.094 0.000 2.149 224 D HA -0.165 4.475 4.640 0.000 0.000 0.198 224 D C 1.929 178.270 176.300 0.068 0.000 0.990 224 D CA 1.166 55.214 54.000 0.080 0.000 0.839 224 D CB -0.115 40.725 40.800 0.067 0.000 0.948 224 D HN 0.345 nan 8.370 nan 0.000 0.460 225 I N 0.753 121.365 120.570 0.071 0.000 2.286 225 I HA -0.271 3.899 4.170 0.000 0.000 0.248 225 I C 2.436 178.610 176.117 0.096 0.000 1.115 225 I CA 0.998 62.339 61.300 0.067 0.000 1.392 225 I CB -0.205 37.831 38.000 0.060 0.000 1.065 225 I HN -0.004 nan 8.210 nan 0.000 0.418 226 Q N 0.582 120.458 119.800 0.127 0.000 2.016 226 Q HA -0.205 4.135 4.340 0.000 0.000 0.200 226 Q C 1.876 178.054 176.000 0.296 0.000 0.978 226 Q CA 1.562 57.486 55.803 0.202 0.000 0.833 226 Q CB -0.124 28.716 28.738 0.170 0.000 0.895 226 Q HN 0.452 nan 8.270 nan 0.000 0.427 227 D N 0.781 121.343 120.400 0.270 0.000 2.123 227 D HA -0.159 4.481 4.640 0.000 0.000 0.196 227 D C 1.982 178.267 176.300 -0.027 0.000 0.992 227 D CA 1.006 55.098 54.000 0.153 0.000 0.833 227 D CB -0.171 40.660 40.800 0.051 0.000 0.954 227 D HN 0.211 nan 8.370 nan 0.000 0.455 228 L N 0.622 121.837 121.223 -0.013 0.000 2.017 228 L HA -0.160 4.180 4.340 0.000 0.000 0.208 228 L C 2.451 179.320 176.870 -0.002 0.000 1.073 228 L CA 1.008 55.820 54.840 -0.047 0.000 0.745 228 L CB -0.300 41.748 42.059 -0.018 0.000 0.894 228 L HN -0.077 nan 8.230 nan 0.000 0.432 229 K N -0.202 120.237 120.400 0.064 0.000 2.063 229 K HA -0.224 4.096 4.320 0.000 0.000 0.208 229 K C 2.025 178.680 176.600 0.092 0.000 1.048 229 K CA 1.551 57.884 56.287 0.077 0.000 0.928 229 K CB -0.772 31.796 32.500 0.113 0.000 0.713 229 K HN 0.172 nan 8.250 nan 0.000 0.442 230 F N 1.537 121.467 119.950 -0.034 0.000 2.126 230 F HA -0.150 4.377 4.527 0.000 0.000 0.299 230 F C 2.114 177.848 175.800 -0.111 0.000 1.096 230 F CA 1.927 59.874 58.000 -0.087 0.000 1.255 230 F CB -0.714 38.097 39.000 -0.315 0.000 0.997 230 F HN 0.073 nan 8.300 nan 0.000 0.479 231 G N -0.173 108.515 108.800 -0.188 0.000 2.422 231 G HA2 -0.183 3.777 3.960 0.000 0.000 0.218 231 G HA3 -0.183 3.777 3.960 0.000 0.000 0.218 231 G C 1.724 176.485 174.900 -0.231 0.000 1.146 231 G CA 1.115 46.039 45.100 -0.293 0.000 0.769 231 G HN 0.359 nan 8.290 nan 0.000 0.547 232 V N 0.866 120.694 119.914 -0.144 0.000 2.358 232 V HA -0.159 3.961 4.120 0.000 0.000 0.246 232 V C 2.613 178.639 176.094 -0.115 0.000 1.047 232 V CA 2.109 64.350 62.300 -0.099 0.000 1.035 232 V CB -0.514 31.280 31.823 -0.049 0.000 0.658 232 V HN 0.473 nan 8.190 nan 0.000 0.452 233 E N -0.257 119.864 120.200 -0.132 0.000 2.204 233 E HA -0.184 4.166 4.350 0.000 0.000 0.194 233 E C 1.887 178.370 176.600 -0.195 0.000 0.989 233 E CA 0.734 57.060 56.400 -0.125 0.000 0.824 233 E CB -0.067 29.586 29.700 -0.078 0.000 0.756 233 E HN 0.639 nan 8.360 nan 0.000 0.477 234 Q N 0.659 120.262 119.800 -0.327 0.000 2.246 234 Q HA -0.017 4.323 4.340 0.000 0.000 0.202 234 Q C -0.532 175.346 176.000 -0.202 0.000 0.883 234 Q CA -0.117 55.487 55.803 -0.332 0.000 0.952 234 Q CB 0.435 28.813 28.738 -0.598 0.000 1.078 234 Q HN 0.096 nan 8.270 nan 0.000 0.493 235 D N 1.072 121.380 120.400 -0.154 0.000 2.697 235 D HA -0.146 4.494 4.640 0.000 0.000 0.235 235 D C -0.330 175.919 176.300 -0.085 0.000 1.167 235 D CA 0.410 54.353 54.000 -0.095 0.000 0.656 235 D CB -0.987 39.775 40.800 -0.064 0.000 1.025 235 D HN 0.201 nan 8.370 nan 0.000 0.419 236 V N -2.050 117.797 119.914 -0.112 0.000 3.003 236 V HA 0.330 4.450 4.120 0.000 0.000 0.305 236 V C 1.355 177.412 176.094 -0.061 0.000 1.078 236 V CA 0.113 62.354 62.300 -0.099 0.000 1.083 236 V CB 1.459 33.195 31.823 -0.145 0.000 1.039 236 V HN 0.054 nan 8.190 nan 0.000 0.481 237 D N 2.278 122.653 120.400 -0.042 0.000 2.327 237 D HA 0.185 4.825 4.640 0.000 0.000 0.205 237 D C 0.580 176.882 176.300 0.003 0.000 0.989 237 D CA 1.303 55.305 54.000 0.002 0.000 0.873 237 D CB 0.474 41.297 40.800 0.040 0.000 0.955 237 D HN 0.821 nan 8.370 nan 0.000 0.515 238 M N -1.470 118.101 119.600 -0.049 0.000 2.603 238 M HA 0.474 4.954 4.480 0.000 0.000 0.275 238 M C -1.785 174.440 176.300 -0.126 0.000 1.226 238 M CA -0.949 54.336 55.300 -0.025 0.000 0.870 238 M CB 2.882 35.532 32.600 0.083 0.000 1.716 238 M HN -0.434 nan 8.290 nan 0.000 0.482 239 V N 2.372 122.270 119.914 -0.026 0.000 2.487 239 V HA 0.531 4.651 4.120 0.000 0.000 0.298 239 V C -1.300 174.908 176.094 0.189 0.000 1.028 239 V CA -0.376 61.892 62.300 -0.054 0.000 0.860 239 V CB 1.803 33.598 31.823 -0.046 0.000 0.991 239 V HN 0.678 nan 8.190 nan 0.000 0.427 240 F N 3.642 123.557 119.950 -0.058 0.000 2.334 240 F HA 0.575 5.102 4.527 0.000 0.000 0.365 240 F C 0.829 176.590 175.800 -0.065 0.000 1.124 240 F CA -1.587 56.379 58.000 -0.057 0.000 1.166 240 F CB 0.721 39.693 39.000 -0.047 0.000 1.355 240 F HN 0.530 nan 8.300 nan 0.000 0.532 241 A N 2.847 125.733 122.820 0.109 0.000 2.395 241 A HA 0.450 4.770 4.320 0.000 0.000 0.286 241 A C 0.547 178.124 177.584 -0.012 0.000 1.193 241 A CA -0.272 51.788 52.037 0.037 0.000 0.852 241 A CB -0.223 18.788 19.000 0.020 0.000 1.118 241 A HN 0.577 nan 8.150 nan 0.000 0.524 242 S N 1.734 117.416 115.700 -0.029 0.000 2.564 242 S HA 0.406 4.876 4.470 0.000 0.000 0.278 242 S C 0.036 174.577 174.600 -0.100 0.000 1.333 242 S CA -0.101 57.976 58.200 -0.206 0.000 1.048 242 S CB -0.274 62.797 63.200 -0.215 0.000 0.900 242 S HN 0.811 nan 8.310 nan 0.000 0.505 243 F N -0.826 119.127 119.950 0.006 0.000 3.093 243 F HA -0.162 4.365 4.527 0.000 0.000 0.287 243 F C 0.230 176.023 175.800 -0.011 0.000 0.882 243 F CA -0.330 57.666 58.000 -0.006 0.000 1.063 243 F CB -1.847 37.145 39.000 -0.014 0.000 1.097 243 F HN 0.407 nan 8.300 nan 0.000 0.604 244 I N 1.994 122.603 120.570 0.065 0.000 2.664 244 I HA -0.033 4.137 4.170 0.000 0.000 0.284 244 I C 1.659 177.798 176.117 0.037 0.000 1.154 244 I CA 0.678 61.997 61.300 0.032 0.000 1.402 244 I CB 0.595 38.579 38.000 -0.026 0.000 1.395 244 I HN 0.412 nan 8.210 nan 0.000 0.545 245 R N 6.007 126.531 120.500 0.039 0.000 2.437 245 R HA 0.259 4.599 4.340 0.000 0.000 0.257 245 R C 0.153 176.456 176.300 0.006 0.000 0.927 245 R CA -0.289 55.833 56.100 0.037 0.000 1.078 245 R CB 0.620 30.953 30.300 0.055 0.000 1.161 245 R HN 0.594 nan 8.270 nan 0.000 0.529 246 K N -0.906 119.478 120.400 -0.026 0.000 2.685 246 K HA 0.255 4.575 4.320 0.000 0.000 0.290 246 K C -0.326 176.211 176.600 -0.105 0.000 1.018 246 K CA 0.051 56.307 56.287 -0.052 0.000 0.860 246 K CB 0.709 33.194 32.500 -0.025 0.000 1.498 246 K HN -0.143 nan 8.250 nan 0.000 0.390 247 A N 1.532 124.266 122.820 -0.143 0.000 1.948 247 A HA -0.135 4.185 4.320 0.000 0.000 0.220 247 A C 2.210 179.596 177.584 -0.330 0.000 1.177 247 A CA 3.064 54.941 52.037 -0.267 0.000 0.636 247 A CB -1.017 17.854 19.000 -0.215 0.000 0.815 247 A HN 1.006 nan 8.150 nan 0.000 0.449 248 A N 0.352 123.102 122.820 -0.117 0.000 1.873 248 A HA -0.264 4.056 4.320 0.000 0.000 0.218 248 A C 1.785 179.355 177.584 -0.024 0.000 1.193 248 A CA 2.021 54.054 52.037 -0.007 0.000 0.629 248 A CB -0.775 18.242 19.000 0.028 0.000 0.826 248 A HN 0.515 nan 8.150 nan 0.000 0.447 249 D N -0.166 120.211 120.400 -0.039 0.000 2.116 249 D HA -0.144 4.496 4.640 0.000 0.000 0.193 249 D C 2.063 178.341 176.300 -0.036 0.000 0.998 249 D CA 1.653 55.642 54.000 -0.017 0.000 0.836 249 D CB -0.793 40.003 40.800 -0.007 0.000 0.951 249 D HN 0.233 nan 8.370 nan 0.000 0.449 250 V N 0.882 120.727 119.914 -0.116 0.000 2.332 250 V HA -0.280 3.840 4.120 0.000 0.000 0.248 250 V C 2.126 178.194 176.094 -0.044 0.000 1.055 250 V CA 1.874 64.101 62.300 -0.122 0.000 1.038 250 V CB -0.750 30.935 31.823 -0.229 0.000 0.651 250 V HN 0.351 nan 8.190 nan 0.000 0.450 251 H N -0.623 118.441 119.070 -0.009 0.000 2.387 251 H HA -0.165 4.391 4.556 0.000 0.000 0.299 251 H C 2.472 177.801 175.328 0.002 0.000 1.090 251 H CA 1.411 57.456 56.048 -0.005 0.000 1.332 251 H CB 0.174 29.933 29.762 -0.006 0.000 1.386 251 H HN 0.483 nan 8.280 nan 0.000 0.516 252 E N 0.573 120.850 120.200 0.127 0.000 2.077 252 E HA -0.150 4.200 4.350 0.000 0.000 0.193 252 E C 2.168 178.803 176.600 0.058 0.000 0.989 252 E CA 1.070 57.516 56.400 0.077 0.000 0.800 252 E CB 0.190 29.924 29.700 0.057 0.000 0.746 252 E HN 0.205 nan 8.360 nan 0.000 0.452 253 V N 0.927 120.870 119.914 0.049 0.000 2.270 253 V HA -0.255 3.865 4.120 0.000 0.000 0.245 253 V C 2.553 178.669 176.094 0.037 0.000 1.043 253 V CA 2.161 64.481 62.300 0.034 0.000 1.014 253 V CB -0.585 31.250 31.823 0.020 0.000 0.645 253 V HN 0.272 nan 8.190 nan 0.000 0.447 254 R N 0.416 120.949 120.500 0.054 0.000 2.127 254 R HA -0.245 4.095 4.340 0.000 0.000 0.238 254 R C 2.294 178.620 176.300 0.043 0.000 1.134 254 R CA 2.106 58.239 56.100 0.054 0.000 0.975 254 R CB -0.280 30.073 30.300 0.088 0.000 0.865 254 R HN 0.507 nan 8.270 nan 0.000 0.447 255 K N 0.215 120.643 120.400 0.048 0.000 2.002 255 K HA -0.120 4.200 4.320 0.000 0.000 0.209 255 K C 1.935 178.551 176.600 0.027 0.000 1.048 255 K CA 1.619 57.926 56.287 0.033 0.000 0.930 255 K CB -0.029 32.492 32.500 0.035 0.000 0.714 255 K HN 0.112 nan 8.250 nan 0.000 0.438 256 I N 1.285 121.873 120.570 0.029 0.000 2.163 256 I HA -0.267 3.903 4.170 0.000 0.000 0.243 256 I C 2.253 178.382 176.117 0.019 0.000 1.085 256 I CA 1.138 62.453 61.300 0.026 0.000 1.347 256 I CB -1.158 36.858 38.000 0.027 0.000 1.044 256 I HN 0.222 nan 8.210 nan 0.000 0.408 257 L N 0.630 121.861 121.223 0.013 0.000 2.187 257 L HA -0.052 4.288 4.340 0.000 0.000 0.213 257 L C 1.657 178.532 176.870 0.008 0.000 1.100 257 L CA 1.489 56.332 54.840 0.005 0.000 0.765 257 L CB -1.389 40.671 42.059 0.002 0.000 0.904 257 L HN 0.496 nan 8.230 nan 0.000 0.437 258 G N -0.788 108.020 108.800 0.014 0.000 2.606 258 G HA2 -0.464 3.496 3.960 0.000 0.000 0.285 258 G HA3 -0.464 3.496 3.960 0.000 0.000 0.285 258 G C 0.835 175.742 174.900 0.011 0.000 1.311 258 G CA 0.622 45.730 45.100 0.013 0.000 0.922 258 G HN 0.303 nan 8.290 nan 0.000 0.559 259 E N -0.239 119.967 120.200 0.010 0.000 2.118 259 E HA -0.122 4.228 4.350 0.000 0.000 0.195 259 E C 2.413 179.018 176.600 0.009 0.000 0.992 259 E CA 2.349 58.755 56.400 0.010 0.000 0.804 259 E CB -0.211 29.494 29.700 0.009 0.000 0.741 259 E HN 0.573 nan 8.360 nan 0.000 0.458 260 K N -1.143 119.260 120.400 0.006 0.000 2.007 260 K HA -0.010 4.310 4.320 0.000 0.000 0.206 260 K C 1.880 178.480 176.600 0.000 0.000 1.047 260 K CA 1.184 57.473 56.287 0.003 0.000 0.937 260 K CB -0.420 32.080 32.500 -0.000 0.000 0.718 260 K HN 0.222 nan 8.250 nan 0.000 0.438 261 G N 1.167 109.966 108.800 -0.002 0.000 2.882 261 G HA2 -0.171 3.789 3.960 0.000 0.000 0.206 261 G HA3 -0.171 3.789 3.960 0.000 0.000 0.206 261 G C 1.028 175.932 174.900 0.006 0.000 1.155 261 G CA 0.072 45.169 45.100 -0.005 0.000 0.800 261 G HN 0.334 nan 8.290 nan 0.000 0.524 262 K N 0.764 121.171 120.400 0.012 0.000 2.127 262 K HA -0.222 4.098 4.320 0.000 0.000 0.212 262 K C 1.609 178.225 176.600 0.027 0.000 1.050 262 K CA 1.869 58.167 56.287 0.019 0.000 0.929 262 K CB -0.228 32.283 32.500 0.018 0.000 0.715 262 K HN 0.471 nan 8.250 nan 0.000 0.457 263 N N -0.015 118.702 118.700 0.027 0.000 2.270 263 N HA 0.149 4.889 4.740 0.000 0.000 0.198 263 N C -0.521 175.014 175.510 0.042 0.000 1.117 263 N CA -0.373 52.700 53.050 0.040 0.000 0.845 263 N CB 0.404 38.917 38.487 0.044 0.000 0.980 263 N HN 0.111 nan 8.380 nan 0.000 0.486 264 I N 1.996 122.582 120.570 0.026 0.000 2.452 264 I HA 0.034 4.204 4.170 0.000 0.000 0.287 264 I C 0.233 176.370 176.117 0.034 0.000 1.079 264 I CA -0.324 60.988 61.300 0.020 0.000 1.387 264 I CB 0.457 38.453 38.000 -0.007 0.000 1.404 264 I HN -0.130 nan 8.210 nan 0.000 0.522 265 K N 7.493 127.923 120.400 0.050 0.000 2.368 265 K HA 0.368 4.688 4.320 0.000 0.000 0.282 265 K C -0.303 176.330 176.600 0.056 0.000 1.035 265 K CA -0.025 56.296 56.287 0.058 0.000 0.973 265 K CB 0.830 33.374 32.500 0.074 0.000 0.957 265 K HN 0.525 nan 8.250 nan 0.000 0.474 266 I N 4.659 125.254 120.570 0.042 0.000 2.315 266 I HA 0.157 4.327 4.170 0.000 0.000 0.291 266 I C 0.031 176.168 176.117 0.032 0.000 1.006 266 I CA -0.698 60.627 61.300 0.041 0.000 1.265 266 I CB 0.840 38.851 38.000 0.019 0.000 1.387 266 I HN 0.186 nan 8.210 nan 0.000 0.475 267 I N 5.572 126.189 120.570 0.077 0.000 2.330 267 I HA 0.201 4.371 4.170 0.000 0.000 0.286 267 I C 0.364 176.466 176.117 -0.025 0.000 1.025 267 I CA -0.195 61.108 61.300 0.006 0.000 1.197 267 I CB 0.862 38.851 38.000 -0.018 0.000 1.358 267 I HN 0.449 nan 8.210 nan 0.000 0.467 268 S N 6.436 122.098 115.700 -0.064 0.000 2.531 268 S HA 0.264 4.734 4.470 0.000 0.000 0.279 268 S C 0.307 174.856 174.600 -0.084 0.000 1.305 268 S CA -0.455 57.703 58.200 -0.069 0.000 1.058 268 S CB 0.677 63.819 63.200 -0.096 0.000 0.899 268 S HN 0.368 nan 8.310 nan 0.000 0.493 269 K N 2.664 123.011 120.400 -0.089 0.000 2.211 269 K HA 0.374 4.694 4.320 0.000 0.000 0.275 269 K C -0.697 175.842 176.600 -0.101 0.000 1.024 269 K CA -0.515 55.696 56.287 -0.126 0.000 0.887 269 K CB 0.754 33.147 32.500 -0.178 0.000 1.084 269 K HN 0.405 nan 8.250 nan 0.000 0.463 270 I N 4.111 124.641 120.570 -0.067 0.000 2.297 270 I HA 0.088 4.258 4.170 0.000 0.000 0.291 270 I C 0.623 176.705 176.117 -0.060 0.000 1.033 270 I CA 0.254 61.540 61.300 -0.024 0.000 1.253 270 I CB 0.638 38.659 38.000 0.035 0.000 1.396 270 I HN 0.793 nan 8.210 nan 0.000 0.476 271 E N 4.510 124.685 120.200 -0.042 0.000 2.639 271 E HA 0.095 4.445 4.350 0.000 0.000 0.225 271 E C -0.015 176.643 176.600 0.096 0.000 0.921 271 E CA -0.205 56.181 56.400 -0.023 0.000 1.184 271 E CB 0.724 30.319 29.700 -0.176 0.000 1.160 271 E HN 0.662 nan 8.360 nan 0.000 0.547 272 N N 0.101 118.868 118.700 0.112 0.000 2.577 272 N HA 0.056 4.796 4.740 0.000 0.000 0.285 272 N C 0.502 176.069 175.510 0.095 0.000 1.309 272 N CA -0.539 52.589 53.050 0.130 0.000 0.798 272 N CB 1.201 39.787 38.487 0.165 0.000 1.463 272 N HN -0.153 nan 8.380 nan 0.000 0.518 273 H N -0.082 119.000 119.070 0.021 0.000 2.423 273 H HA -0.028 4.528 4.556 0.000 0.000 0.297 273 H C 1.136 176.471 175.328 0.012 0.000 1.075 273 H CA 1.675 57.726 56.048 0.005 0.000 1.342 273 H CB 0.389 30.149 29.762 -0.004 0.000 1.395 273 H HN 0.769 nan 8.280 nan 0.000 0.530 274 E N -0.358 119.962 120.200 0.199 0.000 2.072 274 E HA -0.098 4.252 4.350 0.000 0.000 0.191 274 E C 2.358 178.999 176.600 0.067 0.000 0.985 274 E CA 0.749 57.234 56.400 0.141 0.000 0.801 274 E CB -0.213 29.546 29.700 0.098 0.000 0.750 274 E HN 0.584 nan 8.360 nan 0.000 0.452 275 G N 0.469 109.304 108.800 0.059 0.000 2.442 275 G HA2 -0.237 3.723 3.960 0.000 0.000 0.219 275 G HA3 -0.237 3.723 3.960 0.000 0.000 0.219 275 G C 1.618 176.558 174.900 0.067 0.000 1.141 275 G CA 0.976 46.107 45.100 0.051 0.000 0.763 275 G HN 0.203 nan 8.290 nan 0.000 0.554 276 V N 0.510 120.423 119.914 -0.003 0.000 2.323 276 V HA -0.067 4.053 4.120 0.000 0.000 0.244 276 V C 2.791 178.865 176.094 -0.034 0.000 1.041 276 V CA 1.682 63.952 62.300 -0.050 0.000 1.025 276 V CB -0.422 31.273 31.823 -0.214 0.000 0.656 276 V HN 0.300 nan 8.190 nan 0.000 0.451 277 R N 0.689 121.142 120.500 -0.077 0.000 2.120 277 R HA -0.075 4.265 4.340 0.000 0.000 0.234 277 R C 1.628 177.948 176.300 0.034 0.000 1.123 277 R CA 1.302 57.390 56.100 -0.021 0.000 0.975 277 R CB 0.003 30.333 30.300 0.050 0.000 0.866 277 R HN 0.460 nan 8.270 nan 0.000 0.446 278 R N -0.754 119.774 120.500 0.046 0.000 2.633 278 R HA 0.066 4.406 4.340 0.000 0.000 0.348 278 R C 1.076 177.388 176.300 0.020 0.000 1.100 278 R CA -0.392 55.725 56.100 0.028 0.000 1.068 278 R CB -0.049 30.256 30.300 0.007 0.000 1.351 278 R HN 0.080 nan 8.270 nan 0.000 0.575 279 F N 2.682 122.594 119.950 -0.063 0.000 2.043 279 F HA -0.343 4.184 4.527 0.000 0.000 0.297 279 F C 1.676 177.438 175.800 -0.063 0.000 1.118 279 F CA 2.049 60.007 58.000 -0.070 0.000 1.202 279 F CB 0.061 39.012 39.000 -0.082 0.000 0.965 279 F HN 0.044 nan 8.300 nan 0.000 0.482 280 D N 0.290 120.660 120.400 -0.049 0.000 2.133 280 D HA -0.273 4.367 4.640 0.000 0.000 0.192 280 D C 2.137 178.303 176.300 -0.224 0.000 1.001 280 D CA 2.084 56.003 54.000 -0.136 0.000 0.844 280 D CB -0.702 40.104 40.800 0.010 0.000 0.944 280 D HN 0.714 nan 8.370 nan 0.000 0.447 281 E N 0.686 120.790 120.200 -0.159 0.000 2.106 281 E HA -0.129 4.221 4.350 0.000 0.000 0.192 281 E C 2.403 178.869 176.600 -0.223 0.000 0.984 281 E CA 0.680 56.992 56.400 -0.146 0.000 0.806 281 E CB -0.493 29.152 29.700 -0.092 0.000 0.750 281 E HN 0.299 nan 8.360 nan 0.000 0.458 282 I N 1.185 121.580 120.570 -0.292 0.000 2.226 282 I HA -0.243 3.927 4.170 0.000 0.000 0.245 282 I C 2.697 178.568 176.117 -0.410 0.000 1.100 282 I CA 0.885 61.987 61.300 -0.331 0.000 1.374 282 I CB -0.298 37.508 38.000 -0.322 0.000 1.057 282 I HN 0.203 nan 8.210 nan 0.000 0.413 283 L N 0.850 121.699 121.223 -0.625 0.000 1.989 283 L HA -0.266 4.074 4.340 0.000 0.000 0.211 283 L C 2.692 179.400 176.870 -0.270 0.000 1.071 283 L CA 1.899 56.410 54.840 -0.549 0.000 0.749 283 L CB -0.300 41.361 42.059 -0.662 0.000 0.890 283 L HN 0.242 nan 8.230 nan 0.000 0.431 284 E N 0.431 120.505 120.200 -0.210 0.000 2.085 284 E HA -0.235 4.115 4.350 0.000 0.000 0.194 284 E C 1.862 178.410 176.600 -0.086 0.000 0.994 284 E CA 1.814 58.148 56.400 -0.111 0.000 0.801 284 E CB -0.261 29.394 29.700 -0.075 0.000 0.743 284 E HN 0.496 nan 8.360 nan 0.000 0.453 285 A N -0.015 122.728 122.820 -0.129 0.000 2.067 285 A HA 0.032 4.352 4.320 0.000 0.000 0.219 285 A C 1.383 178.907 177.584 -0.099 0.000 1.158 285 A CA 0.998 52.961 52.037 -0.123 0.000 0.661 285 A CB -0.189 18.602 19.000 -0.350 0.000 0.801 285 A HN 0.249 nan 8.150 nan 0.000 0.452 286 S N -0.535 115.090 115.700 -0.125 0.000 2.722 286 S HA 0.325 4.795 4.470 0.000 0.000 0.292 286 S C 0.120 174.683 174.600 -0.061 0.000 1.135 286 S CA -0.535 57.608 58.200 -0.094 0.000 1.003 286 S CB 1.088 64.210 63.200 -0.130 0.000 1.067 286 S HN 0.402 nan 8.310 nan 0.000 0.546 287 D N 0.201 120.577 120.400 -0.041 0.000 2.301 287 D HA 0.232 4.872 4.640 0.000 0.000 0.206 287 D C 0.778 177.038 176.300 -0.068 0.000 0.979 287 D CA 0.550 54.534 54.000 -0.026 0.000 0.874 287 D CB 0.438 41.240 40.800 0.003 0.000 0.968 287 D HN 0.614 nan 8.370 nan 0.000 0.510 288 G N -0.018 108.730 108.800 -0.086 0.000 2.600 288 G HA2 0.511 4.471 3.960 0.000 0.000 0.293 288 G HA3 0.511 4.471 3.960 0.000 0.000 0.293 288 G C -1.633 173.201 174.900 -0.109 0.000 1.408 288 G CA -0.473 44.554 45.100 -0.122 0.000 0.782 288 G HN -0.103 nan 8.290 nan 0.000 0.482 289 I N 0.324 120.831 120.570 -0.105 0.000 2.828 289 I HA 0.576 4.746 4.170 0.000 0.000 0.302 289 I C -0.457 175.577 176.117 -0.138 0.000 1.101 289 I CA -0.827 60.430 61.300 -0.072 0.000 1.031 289 I CB 2.104 40.154 38.000 0.083 0.000 1.231 289 I HN 0.595 nan 8.210 nan 0.000 0.427 290 M N 4.661 124.169 119.600 -0.154 0.000 2.259 290 M HA 0.449 4.929 4.480 0.000 0.000 0.304 290 M C -1.563 174.656 176.300 -0.136 0.000 1.019 290 M CA -0.706 54.467 55.300 -0.211 0.000 0.922 290 M CB 1.853 34.248 32.600 -0.341 0.000 1.600 290 M HN 0.258 nan 8.290 nan 0.000 0.433 291 V N 5.116 124.956 119.914 -0.122 0.000 2.313 291 V HA 0.239 4.359 4.120 0.000 0.000 0.252 291 V C 0.762 176.797 176.094 -0.099 0.000 1.112 291 V CA -0.284 61.957 62.300 -0.099 0.000 0.984 291 V CB 0.114 31.880 31.823 -0.095 0.000 1.157 291 V HN 0.886 nan 8.190 nan 0.000 0.493 292 A N 5.028 127.785 122.820 -0.105 0.000 3.048 292 A HA 0.233 4.553 4.320 0.000 0.000 0.264 292 A C 1.677 179.220 177.584 -0.069 0.000 1.796 292 A CA -0.262 51.714 52.037 -0.103 0.000 1.445 292 A CB -0.598 18.310 19.000 -0.153 0.000 1.074 292 A HN 0.838 nan 8.150 nan 0.000 0.621 293 R N 0.754 121.223 120.500 -0.052 0.000 2.185 293 R HA -0.210 4.130 4.340 0.000 0.000 0.247 293 R C 2.248 178.538 176.300 -0.017 0.000 1.159 293 R CA 1.923 58.004 56.100 -0.031 0.000 0.988 293 R CB -0.294 29.994 30.300 -0.020 0.000 0.871 293 R HN 0.711 nan 8.270 nan 0.000 0.458 294 G N 0.637 109.429 108.800 -0.013 0.000 2.604 294 G HA2 -0.284 3.676 3.960 0.000 0.000 0.216 294 G HA3 -0.284 3.676 3.960 0.000 0.000 0.216 294 G C 0.938 175.848 174.900 0.017 0.000 1.265 294 G CA 1.181 46.285 45.100 0.007 0.000 0.804 294 G HN 0.253 nan 8.290 nan 0.000 0.579 295 D N 0.104 120.519 120.400 0.025 0.000 2.144 295 D HA -0.081 4.559 4.640 0.000 0.000 0.200 295 D C 2.482 178.809 176.300 0.045 0.000 0.978 295 D CA 0.644 54.690 54.000 0.076 0.000 0.833 295 D CB -0.092 40.811 40.800 0.172 0.000 0.961 295 D HN 0.158 nan 8.370 nan 0.000 0.470 296 L N 1.259 122.488 121.223 0.010 0.000 2.079 296 L HA -0.069 4.271 4.340 0.000 0.000 0.210 296 L C 2.201 179.062 176.870 -0.015 0.000 1.081 296 L CA 1.817 56.654 54.840 -0.004 0.000 0.752 296 L CB -0.819 41.221 42.059 -0.032 0.000 0.896 296 L HN -0.004 nan 8.230 nan 0.000 0.433 297 G N -1.312 107.478 108.800 -0.017 0.000 2.776 297 G HA2 -0.076 3.884 3.960 0.000 0.000 0.209 297 G HA3 -0.076 3.884 3.960 0.000 0.000 0.209 297 G C 1.375 176.240 174.900 -0.059 0.000 1.145 297 G CA 0.845 45.929 45.100 -0.026 0.000 0.791 297 G HN 0.518 nan 8.290 nan 0.000 0.530 298 I N -0.969 119.561 120.570 -0.066 0.000 3.883 298 I HA 0.139 4.309 4.170 0.000 0.000 0.305 298 I C 2.008 178.030 176.117 -0.158 0.000 1.247 298 I CA 0.055 61.264 61.300 -0.151 0.000 1.350 298 I CB 0.227 38.165 38.000 -0.103 0.000 1.194 298 I HN -0.068 nan 8.210 nan 0.000 0.441 299 E N 1.922 122.092 120.200 -0.050 0.000 2.208 299 E HA 0.070 4.420 4.350 0.000 0.000 0.193 299 E C 0.734 177.336 176.600 0.004 0.000 0.988 299 E CA 0.789 57.184 56.400 -0.009 0.000 0.828 299 E CB 0.325 30.058 29.700 0.055 0.000 0.763 299 E HN 0.554 nan 8.360 nan 0.000 0.478 300 I N -2.923 117.644 120.570 -0.005 0.000 3.042 300 I HA 0.491 4.661 4.170 0.000 0.000 0.310 300 I C -2.758 173.346 176.117 -0.022 0.000 1.117 300 I CA -3.087 58.225 61.300 0.020 0.000 1.003 300 I CB 2.205 40.230 38.000 0.043 0.000 1.228 300 I HN -0.378 nan 8.210 nan 0.000 0.443 301 P HA 0.044 nan 4.420 nan 0.000 0.262 301 P C 0.500 177.799 177.300 -0.002 0.000 1.182 301 P CA 0.313 63.406 63.100 -0.012 0.000 0.761 301 P CB 1.030 32.736 31.700 0.010 0.000 0.795 302 A N 5.290 128.105 122.820 -0.008 0.000 1.903 302 A HA -0.243 4.077 4.320 0.000 0.000 0.219 302 A C 1.784 179.404 177.584 0.060 0.000 1.191 302 A CA 1.836 53.880 52.037 0.012 0.000 0.638 302 A CB -1.008 17.995 19.000 0.004 0.000 0.823 302 A HN 0.667 nan 8.150 nan 0.000 0.451 303 E N 0.331 120.573 120.200 0.071 0.000 2.510 303 E HA -0.163 4.187 4.350 0.000 0.000 0.202 303 E C 1.062 177.811 176.600 0.248 0.000 1.072 303 E CA 1.341 57.823 56.400 0.137 0.000 0.883 303 E CB -0.243 29.514 29.700 0.096 0.000 0.818 303 E HN 0.714 nan 8.360 nan 0.000 0.548 304 K N 0.135 120.606 120.400 0.118 0.000 2.380 304 K HA 0.156 4.476 4.320 0.000 0.000 0.198 304 K C 1.893 178.427 176.600 -0.110 0.000 1.070 304 K CA 0.259 56.533 56.287 -0.021 0.000 1.040 304 K CB 0.716 33.181 32.500 -0.059 0.000 0.903 304 K HN -0.092 nan 8.250 nan 0.000 0.549 305 V N 2.239 122.161 119.914 0.013 0.000 2.380 305 V HA -0.300 3.820 4.120 0.000 0.000 0.251 305 V C 2.128 178.205 176.094 -0.028 0.000 1.063 305 V CA 2.105 64.394 62.300 -0.017 0.000 1.055 305 V CB -0.746 31.091 31.823 0.024 0.000 0.657 305 V HN 0.353 nan 8.190 nan 0.000 0.455 306 F N 0.239 120.155 119.950 -0.057 0.000 2.171 306 F HA -0.127 4.400 4.527 0.000 0.000 0.300 306 F C 1.954 177.710 175.800 -0.073 0.000 1.090 306 F CA 1.405 59.369 58.000 -0.060 0.000 1.293 306 F CB -1.211 37.761 39.000 -0.047 0.000 1.013 306 F HN 0.087 nan 8.300 nan 0.000 0.486 307 L N 1.054 121.593 121.223 -1.141 0.000 1.989 307 L HA -0.202 4.138 4.340 0.000 0.000 0.211 307 L C 3.063 179.679 176.870 -0.423 0.000 1.071 307 L CA 1.525 55.849 54.840 -0.860 0.000 0.749 307 L CB -1.410 40.188 42.059 -0.769 0.000 0.890 307 L HN 0.357 nan 8.230 nan 0.000 0.431 308 A N -0.699 121.918 122.820 -0.338 0.000 1.908 308 A HA -0.299 4.021 4.320 0.000 0.000 0.218 308 A C 2.272 179.707 177.584 -0.249 0.000 1.181 308 A CA 2.005 53.878 52.037 -0.273 0.000 0.627 308 A CB -0.663 18.204 19.000 -0.222 0.000 0.818 308 A HN 0.526 nan 8.150 nan 0.000 0.445 309 Q N -0.268 119.422 119.800 -0.182 0.000 2.002 309 Q HA -0.256 4.084 4.340 0.000 0.000 0.204 309 Q C 2.042 177.955 176.000 -0.145 0.000 0.988 309 Q CA 2.216 57.939 55.803 -0.134 0.000 0.843 309 Q CB -0.164 28.540 28.738 -0.057 0.000 0.908 309 Q HN 0.668 nan 8.270 nan 0.000 0.420 310 K N -0.144 120.183 120.400 -0.122 0.000 2.103 310 K HA -0.155 4.165 4.320 0.000 0.000 0.207 310 K C 2.118 178.622 176.600 -0.159 0.000 1.048 310 K CA 1.469 57.693 56.287 -0.105 0.000 0.930 310 K CB -0.197 32.268 32.500 -0.060 0.000 0.716 310 K HN 0.313 nan 8.250 nan 0.000 0.444 311 M N 0.966 120.433 119.600 -0.221 0.000 2.099 311 M HA -0.119 4.361 4.480 0.000 0.000 0.262 311 M C 1.907 177.987 176.300 -0.367 0.000 1.067 311 M CA 1.739 56.880 55.300 -0.266 0.000 1.124 311 M CB -0.262 32.162 32.600 -0.294 0.000 1.353 311 M HN 0.129 nan 8.290 nan 0.000 0.410 312 I N 0.127 120.421 120.570 -0.460 0.000 2.252 312 I HA -0.322 3.848 4.170 0.000 0.000 0.245 312 I C 2.369 178.303 176.117 -0.305 0.000 1.102 312 I CA 1.058 61.980 61.300 -0.630 0.000 1.385 312 I CB -0.357 37.318 38.000 -0.542 0.000 1.064 312 I HN 0.259 nan 8.210 nan 0.000 0.414 313 I N 0.614 121.067 120.570 -0.194 0.000 2.226 313 I HA -0.203 3.967 4.170 0.000 0.000 0.245 313 I C 2.709 178.771 176.117 -0.093 0.000 1.100 313 I CA 1.563 62.796 61.300 -0.111 0.000 1.374 313 I CB -1.022 36.928 38.000 -0.083 0.000 1.057 313 I HN 0.270 nan 8.210 nan 0.000 0.413 314 G N 0.820 109.554 108.800 -0.110 0.000 2.459 314 G HA2 -0.277 3.683 3.960 0.000 0.000 0.217 314 G HA3 -0.277 3.683 3.960 0.000 0.000 0.217 314 G C 1.796 176.656 174.900 -0.068 0.000 1.183 314 G CA 0.699 45.749 45.100 -0.084 0.000 0.776 314 G HN 0.273 nan 8.290 nan 0.000 0.552 315 R N -0.954 119.493 120.500 -0.089 0.000 2.148 315 R HA 0.018 4.358 4.340 0.000 0.000 0.227 315 R C 2.623 178.959 176.300 0.060 0.000 1.103 315 R CA 1.033 57.128 56.100 -0.008 0.000 0.983 315 R CB -0.477 29.828 30.300 0.008 0.000 0.874 315 R HN 0.412 nan 8.270 nan 0.000 0.451 316 C N -0.115 119.213 119.300 0.047 0.000 2.476 316 C HA 0.005 4.465 4.460 0.000 0.000 0.278 316 C C 2.087 177.077 174.990 -0.000 0.000 1.274 316 C CA 0.560 59.613 59.018 0.058 0.000 1.713 316 C CB -1.016 26.750 27.740 0.042 0.000 2.039 316 C HN 0.596 nan 8.230 nan 0.000 0.484 317 N N 0.245 118.930 118.700 -0.024 0.000 2.094 317 N HA -0.203 4.537 4.740 0.000 0.000 0.191 317 N C 2.097 177.573 175.510 -0.057 0.000 1.023 317 N CA 0.959 53.985 53.050 -0.040 0.000 0.857 317 N CB -0.253 38.210 38.487 -0.039 0.000 1.013 317 N HN 0.490 nan 8.380 nan 0.000 0.426 318 R N 1.187 121.663 120.500 -0.039 0.000 2.081 318 R HA -0.046 4.294 4.340 0.000 0.000 0.235 318 R C 1.826 178.105 176.300 -0.034 0.000 1.131 318 R CA 1.364 57.440 56.100 -0.040 0.000 0.960 318 R CB -0.144 30.144 30.300 -0.019 0.000 0.856 318 R HN 0.161 nan 8.270 nan 0.000 0.436 319 A N -0.375 122.439 122.820 -0.010 0.000 2.167 319 A HA 0.155 4.475 4.320 0.000 0.000 0.214 319 A C 1.407 178.985 177.584 -0.009 0.000 1.151 319 A CA 0.955 52.990 52.037 -0.003 0.000 0.735 319 A CB -0.190 18.819 19.000 0.015 0.000 0.802 319 A HN 0.594 nan 8.150 nan 0.000 0.467 320 G N -0.826 107.959 108.800 -0.025 0.000 2.143 320 G HA2 -0.244 3.716 3.960 0.000 0.000 0.248 320 G HA3 -0.244 3.716 3.960 0.000 0.000 0.248 320 G C 0.094 175.024 174.900 0.050 0.000 0.991 320 G CA 0.545 45.643 45.100 -0.004 0.000 0.689 320 G HN 0.522 nan 8.290 nan 0.000 0.522 321 K N 0.621 121.023 120.400 0.003 0.000 2.159 321 K HA 0.426 4.746 4.320 0.000 0.000 0.266 321 K C -2.622 173.898 176.600 -0.133 0.000 0.975 321 K CA -1.981 54.281 56.287 -0.042 0.000 0.865 321 K CB 1.864 34.340 32.500 -0.039 0.000 1.087 321 K HN -0.040 nan 8.250 nan 0.000 0.446 322 P HA -0.024 nan 4.420 nan 0.000 0.265 322 P C -0.845 176.328 177.300 -0.212 0.000 1.193 322 P CA -0.112 62.761 63.100 -0.378 0.000 0.765 322 P CB 0.618 31.936 31.700 -0.637 0.000 0.823 323 V N 5.414 125.229 119.914 -0.165 0.000 2.735 323 V HA 0.533 4.654 4.120 0.000 0.000 0.310 323 V C -0.749 175.264 176.094 -0.135 0.000 1.061 323 V CA -0.854 61.373 62.300 -0.123 0.000 0.913 323 V CB 1.525 33.303 31.823 -0.075 0.000 1.005 323 V HN 0.298 nan 8.190 nan 0.000 0.428 324 I N 5.504 125.980 120.570 -0.157 0.000 2.474 324 I HA 0.462 4.632 4.170 0.000 0.000 0.294 324 I C -0.469 175.571 176.117 -0.128 0.000 1.005 324 I CA -0.479 60.725 61.300 -0.160 0.000 1.113 324 I CB 1.797 39.642 38.000 -0.258 0.000 1.289 324 I HN 0.594 nan 8.210 nan 0.000 0.436 325 C N 6.022 125.268 119.300 -0.090 0.000 2.295 325 C HA 0.889 5.349 4.460 0.000 0.000 0.331 325 C C 0.310 175.264 174.990 -0.060 0.000 1.280 325 C CA -0.003 58.974 59.018 -0.068 0.000 1.746 325 C CB -0.379 27.335 27.740 -0.043 0.000 2.328 325 C HN 0.889 nan 8.230 nan 0.000 0.521 326 A N 4.347 127.131 122.820 -0.060 0.000 2.515 326 A HA 0.926 5.246 4.320 0.000 0.000 0.296 326 A C -0.180 177.391 177.584 -0.022 0.000 1.094 326 A CA -0.184 51.828 52.037 -0.042 0.000 0.718 326 A CB 1.095 20.056 19.000 -0.064 0.000 1.307 326 A HN 1.354 nan 8.150 nan 0.000 0.408 327 T N 1.213 115.766 114.554 -0.001 0.000 0.571 327 T HA -0.092 4.258 4.350 0.000 0.000 0.771 327 T C 0.058 174.767 174.700 0.014 0.000 0.992 327 T CA 0.855 62.962 62.100 0.010 0.000 4.060 327 T CB -1.158 67.712 68.868 0.004 0.000 2.294 327 T HN 1.534 nan 8.240 nan 0.000 0.396 328 Q N 0.379 120.192 119.800 0.023 0.000 2.461 328 Q HA -0.285 4.055 4.340 0.000 0.000 0.264 328 Q C 1.519 177.531 176.000 0.019 0.000 1.085 328 Q CA 1.477 57.294 55.803 0.023 0.000 1.006 328 Q CB -1.079 27.672 28.738 0.022 0.000 1.437 328 Q HN 0.820 nan 8.270 nan 0.000 0.514 329 M N -0.935 118.676 119.600 0.018 0.000 2.132 329 M HA -0.125 4.355 4.480 0.000 0.000 0.263 329 M C 0.833 177.144 176.300 0.017 0.000 1.065 329 M CA 1.251 56.560 55.300 0.015 0.000 1.122 329 M CB 0.092 32.701 32.600 0.015 0.000 1.365 329 M HN 0.145 nan 8.290 nan 0.000 0.411 330 L N -0.309 120.928 121.223 0.024 0.000 3.218 330 L HA 0.195 4.535 4.340 0.000 0.000 0.279 330 L C 1.260 178.148 176.870 0.031 0.000 1.287 330 L CA 0.280 55.135 54.840 0.024 0.000 1.024 330 L CB -0.231 41.845 42.059 0.030 0.000 1.409 330 L HN 0.059 nan 8.230 nan 0.000 0.580 331 E N 0.938 121.155 120.200 0.030 0.000 2.095 331 E HA -0.325 4.025 4.350 0.000 0.000 0.212 331 E C 2.246 178.870 176.600 0.039 0.000 1.044 331 E CA 2.318 58.739 56.400 0.035 0.000 0.857 331 E CB 0.048 29.766 29.700 0.030 0.000 0.764 331 E HN 0.491 nan 8.360 nan 0.000 0.462 332 S N -0.468 115.250 115.700 0.030 0.000 2.420 332 S HA -0.216 4.254 4.470 0.000 0.000 0.237 332 S C 1.888 176.514 174.600 0.043 0.000 1.023 332 S CA 1.583 59.802 58.200 0.031 0.000 0.991 332 S CB -0.466 62.743 63.200 0.015 0.000 0.792 332 S HN 0.369 nan 8.310 nan 0.000 0.488 333 M N 0.534 120.160 119.600 0.042 0.000 2.700 333 M HA 0.179 4.659 4.480 0.000 0.000 0.249 333 M C 1.375 177.776 176.300 0.168 0.000 1.082 333 M CA 0.604 55.941 55.300 0.062 0.000 1.077 333 M CB -0.591 32.032 32.600 0.038 0.000 1.477 333 M HN 0.378 nan 8.290 nan 0.000 0.529 334 I N -0.052 120.595 120.570 0.128 0.000 2.676 334 I HA -0.215 3.955 4.170 0.000 0.000 0.259 334 I C 2.077 178.294 176.117 0.165 0.000 1.194 334 I CA 1.000 62.376 61.300 0.127 0.000 1.473 334 I CB -0.063 37.981 38.000 0.074 0.000 1.096 334 I HN 0.211 nan 8.210 nan 0.000 0.443 335 K N 0.088 120.602 120.400 0.190 0.000 2.502 335 K HA 0.300 4.620 4.320 0.000 0.000 0.211 335 K C 0.043 176.830 176.600 0.312 0.000 1.259 335 K CA 0.272 56.687 56.287 0.213 0.000 0.983 335 K CB 0.961 33.527 32.500 0.110 0.000 1.054 335 K HN 0.154 nan 8.250 nan 0.000 0.572 336 K N 0.990 121.487 120.400 0.163 0.000 2.328 336 K HA 0.273 4.593 4.320 0.000 0.000 0.246 336 K C -2.134 174.132 176.600 -0.556 0.000 0.955 336 K CA -1.885 54.352 56.287 -0.082 0.000 0.817 336 K CB 2.261 34.725 32.500 -0.059 0.000 1.208 336 K HN -0.285 nan 8.250 nan 0.000 0.432 337 P HA -0.048 nan 4.420 nan 0.000 0.236 337 P C -0.468 176.602 177.300 -0.382 0.000 1.177 337 P CA 0.719 63.248 63.100 -0.951 0.000 0.773 337 P CB 0.609 31.881 31.700 -0.714 0.000 0.878 338 R N 0.715 121.070 120.500 -0.243 0.000 2.686 338 R HA 0.476 4.816 4.340 0.000 0.000 0.286 338 R C -2.567 173.682 176.300 -0.084 0.000 0.969 338 R CA -2.222 53.803 56.100 -0.126 0.000 0.898 338 R CB 1.810 32.055 30.300 -0.091 0.000 1.183 338 R HN 0.059 nan 8.270 nan 0.000 0.456 339 P HA 0.085 nan 4.420 nan 0.000 0.278 339 P C -0.177 177.110 177.300 -0.021 0.000 1.258 339 P CA -0.303 62.782 63.100 -0.026 0.000 0.811 339 P CB 0.760 32.453 31.700 -0.013 0.000 1.063 340 T N -0.924 113.622 114.554 -0.012 0.000 2.828 340 T HA 0.189 4.539 4.350 0.000 0.000 0.290 340 T C 1.529 176.223 174.700 -0.010 0.000 1.019 340 T CA -0.617 61.477 62.100 -0.011 0.000 1.031 340 T CB 0.450 69.314 68.868 -0.006 0.000 1.001 340 T HN 0.176 nan 8.240 nan 0.000 0.531 341 R N 1.361 121.854 120.500 -0.011 0.000 2.117 341 R HA -0.074 4.266 4.340 0.000 0.000 0.243 341 R C 2.639 178.932 176.300 -0.012 0.000 1.143 341 R CA 1.702 57.795 56.100 -0.012 0.000 0.968 341 R CB -1.826 28.466 30.300 -0.013 0.000 0.863 341 R HN 0.879 nan 8.270 nan 0.000 0.444 342 A N 1.402 124.215 122.820 -0.012 0.000 1.930 342 A HA -0.153 4.167 4.320 0.000 0.000 0.217 342 A C 2.015 179.593 177.584 -0.010 0.000 1.175 342 A CA 1.313 53.342 52.037 -0.014 0.000 0.627 342 A CB -0.275 18.716 19.000 -0.015 0.000 0.815 342 A HN 0.399 nan 8.150 nan 0.000 0.443 343 E N -0.501 119.696 120.200 -0.005 0.000 2.106 343 E HA -0.089 4.261 4.350 0.000 0.000 0.192 343 E C 2.114 178.714 176.600 -0.000 0.000 0.984 343 E CA 0.684 57.084 56.400 -0.001 0.000 0.806 343 E CB -0.351 29.351 29.700 0.003 0.000 0.750 343 E HN 0.597 nan 8.360 nan 0.000 0.458 344 G N 1.702 110.501 108.800 -0.003 0.000 2.421 344 G HA2 -0.327 3.633 3.960 0.000 0.000 0.216 344 G HA3 -0.327 3.633 3.960 0.000 0.000 0.216 344 G C 1.785 176.684 174.900 -0.003 0.000 1.171 344 G CA 1.251 46.350 45.100 -0.002 0.000 0.775 344 G HN 0.396 nan 8.290 nan 0.000 0.543 345 S N 0.564 116.260 115.700 -0.007 0.000 2.402 345 S HA -0.124 4.346 4.470 0.000 0.000 0.229 345 S C 1.884 176.480 174.600 -0.006 0.000 1.021 345 S CA 1.765 59.961 58.200 -0.008 0.000 0.974 345 S CB -0.298 62.893 63.200 -0.015 0.000 0.800 345 S HN 0.329 nan 8.310 nan 0.000 0.484 346 D N 1.486 121.883 120.400 -0.006 0.000 2.104 346 D HA -0.111 4.529 4.640 0.000 0.000 0.194 346 D C 1.847 178.149 176.300 0.002 0.000 0.994 346 D CA 1.607 55.606 54.000 -0.002 0.000 0.830 346 D CB -0.427 40.373 40.800 -0.001 0.000 0.959 346 D HN 0.307 nan 8.370 nan 0.000 0.452 347 V N 0.927 120.844 119.914 0.004 0.000 2.261 347 V HA -0.233 3.887 4.120 0.000 0.000 0.246 347 V C 2.659 178.758 176.094 0.008 0.000 1.047 347 V CA 1.912 64.216 62.300 0.007 0.000 1.015 347 V CB -1.202 30.627 31.823 0.011 0.000 0.642 347 V HN 0.352 nan 8.190 nan 0.000 0.446 348 A N 0.592 123.416 122.820 0.007 0.000 1.884 348 A HA -0.306 4.014 4.320 0.000 0.000 0.219 348 A C 2.091 179.683 177.584 0.014 0.000 1.197 348 A CA 2.412 54.455 52.037 0.009 0.000 0.637 348 A CB -0.840 18.164 19.000 0.007 0.000 0.827 348 A HN 0.612 nan 8.150 nan 0.000 0.450 349 N N 0.082 118.788 118.700 0.011 0.000 2.223 349 N HA -0.100 4.640 4.740 0.000 0.000 0.185 349 N C 1.899 177.417 175.510 0.014 0.000 1.016 349 N CA 1.419 54.478 53.050 0.014 0.000 0.863 349 N CB -0.503 37.990 38.487 0.009 0.000 0.983 349 N HN 0.509 nan 8.380 nan 0.000 0.429 350 A N 0.806 123.631 122.820 0.008 0.000 1.902 350 A HA -0.076 4.244 4.320 0.000 0.000 0.217 350 A C 2.528 180.115 177.584 0.004 0.000 1.181 350 A CA 1.217 53.255 52.037 0.002 0.000 0.623 350 A CB -0.688 18.311 19.000 -0.003 0.000 0.818 350 A HN 0.100 nan 8.150 nan 0.000 0.443 351 V N -0.295 119.625 119.914 0.010 0.000 2.307 351 V HA -0.202 3.918 4.120 0.000 0.000 0.245 351 V C 2.462 178.567 176.094 0.019 0.000 1.045 351 V CA 1.687 63.996 62.300 0.016 0.000 1.024 351 V CB -0.757 31.078 31.823 0.020 0.000 0.651 351 V HN 0.461 nan 8.190 nan 0.000 0.449 352 L N 0.170 121.407 121.223 0.024 0.000 2.083 352 L HA -0.164 4.176 4.340 0.000 0.000 0.209 352 L C 2.121 179.008 176.870 0.028 0.000 1.083 352 L CA 1.795 56.656 54.840 0.034 0.000 0.752 352 L CB -1.283 40.804 42.059 0.047 0.000 0.899 352 L HN 0.348 nan 8.230 nan 0.000 0.433 353 D N -0.542 119.868 120.400 0.017 0.000 2.178 353 D HA -0.032 4.608 4.640 0.000 0.000 0.201 353 D C 1.780 178.078 176.300 -0.004 0.000 0.980 353 D CA 1.414 55.417 54.000 0.006 0.000 0.842 353 D CB -0.007 40.790 40.800 -0.004 0.000 0.948 353 D HN 0.433 nan 8.370 nan 0.000 0.472 354 G N -0.841 107.958 108.800 -0.002 0.000 2.183 354 G HA2 -0.080 3.880 3.960 0.000 0.000 0.168 354 G HA3 -0.080 3.880 3.960 0.000 0.000 0.168 354 G C 0.395 175.287 174.900 -0.013 0.000 1.008 354 G CA 0.096 45.193 45.100 -0.005 0.000 0.677 354 G HN 0.554 nan 8.290 nan 0.000 0.498 355 A N 0.565 123.374 122.820 -0.018 0.000 2.546 355 A HA 0.456 4.776 4.320 0.000 0.000 0.243 355 A C 1.283 178.854 177.584 -0.021 0.000 1.063 355 A CA 1.043 53.062 52.037 -0.031 0.000 0.757 355 A CB 0.231 19.212 19.000 -0.032 0.000 0.991 355 A HN 0.263 nan 8.150 nan 0.000 0.503 356 D N 0.716 121.091 120.400 -0.041 0.000 2.149 356 D HA -0.021 4.620 4.640 0.000 0.000 0.201 356 D C 0.134 176.426 176.300 -0.014 0.000 0.972 356 D CA 1.318 55.300 54.000 -0.031 0.000 0.835 356 D CB 0.098 40.841 40.800 -0.095 0.000 0.966 356 D HN 0.548 nan 8.370 nan 0.000 0.476 357 C N 0.646 119.924 119.300 -0.036 0.000 2.797 357 C HA 0.580 5.040 4.460 0.000 0.000 0.306 357 C C -0.017 174.958 174.990 -0.025 0.000 1.207 357 C CA -1.105 57.903 59.018 -0.017 0.000 1.507 357 C CB 1.820 29.545 27.740 -0.026 0.000 2.028 357 C HN 0.153 nan 8.230 nan 0.000 0.475 358 I N 0.435 121.004 120.570 -0.002 0.000 2.750 358 I HA 0.806 4.976 4.170 0.000 0.000 0.308 358 I C -0.686 175.436 176.117 0.008 0.000 1.016 358 I CA -0.788 60.510 61.300 -0.003 0.000 1.098 358 I CB 1.695 39.701 38.000 0.010 0.000 1.279 358 I HN 0.693 nan 8.210 nan 0.000 0.454 359 M N 4.245 123.850 119.600 0.008 0.000 2.591 359 M HA 0.638 5.118 4.480 0.000 0.000 0.306 359 M C -2.056 174.266 176.300 0.036 0.000 1.190 359 M CA -0.701 54.615 55.300 0.027 0.000 0.889 359 M CB 2.731 35.342 32.600 0.019 0.000 1.728 359 M HN 0.631 nan 8.290 nan 0.000 0.458 360 L N 2.337 123.590 121.223 0.051 0.000 2.386 360 L HA 0.715 5.055 4.340 0.000 0.000 0.271 360 L C -1.008 175.900 176.870 0.063 0.000 0.993 360 L CA -0.572 54.300 54.840 0.053 0.000 0.819 360 L CB 2.342 44.434 42.059 0.055 0.000 1.294 360 L HN 0.847 nan 8.230 nan 0.000 0.414 361 S N 0.594 116.331 115.700 0.060 0.000 2.614 361 S HA 0.693 5.164 4.470 0.000 0.000 0.259 361 S C 0.040 174.674 174.600 0.056 0.000 1.118 361 S CA 0.009 58.250 58.200 0.067 0.000 1.065 361 S CB 1.565 64.811 63.200 0.076 0.000 1.121 361 S HN 1.127 nan 8.310 nan 0.000 0.458 362 G N 3.670 112.502 108.800 0.053 0.000 2.493 362 G HA2 -0.274 3.686 3.960 0.000 0.000 0.206 362 G HA3 -0.274 3.686 3.960 0.000 0.000 0.206 362 G C 0.639 175.567 174.900 0.047 0.000 1.109 362 G CA 0.368 45.493 45.100 0.042 0.000 0.689 362 G HN 0.643 nan 8.290 nan 0.000 0.516 363 E N 0.589 120.822 120.200 0.055 0.000 2.153 363 E HA 0.066 4.416 4.350 0.000 0.000 0.194 363 E C 2.554 179.195 176.600 0.068 0.000 0.988 363 E CA 2.220 58.660 56.400 0.067 0.000 0.811 363 E CB -0.107 29.632 29.700 0.065 0.000 0.746 363 E HN 0.779 nan 8.360 nan 0.000 0.466 364 T N -3.636 110.953 114.554 0.060 0.000 2.959 364 T HA 0.416 4.766 4.350 0.000 0.000 0.254 364 T C 1.812 176.542 174.700 0.050 0.000 1.003 364 T CA 0.172 62.306 62.100 0.056 0.000 0.950 364 T CB 0.393 69.295 68.868 0.056 0.000 1.090 364 T HN 0.103 nan 8.240 nan 0.000 0.503 365 A N 2.963 125.814 122.820 0.052 0.000 1.898 365 A HA 0.186 4.507 4.320 0.000 0.000 0.214 365 A C 1.953 179.558 177.584 0.036 0.000 1.183 365 A CA 1.455 53.524 52.037 0.053 0.000 0.622 365 A CB -0.201 18.832 19.000 0.055 0.000 0.824 365 A HN 0.658 nan 8.150 nan 0.000 0.444 366 K N -1.684 118.730 120.400 0.022 0.000 2.586 366 K HA 0.349 4.669 4.320 0.000 0.000 0.198 366 K C 0.554 177.154 176.600 -0.001 0.000 1.170 366 K CA 0.374 56.664 56.287 0.006 0.000 1.069 366 K CB -0.441 32.053 32.500 -0.009 0.000 0.944 366 K HN 0.261 nan 8.250 nan 0.000 0.572 367 G N 0.242 109.049 108.800 0.013 0.000 2.580 367 G HA2 0.152 4.112 3.960 0.000 0.000 0.278 367 G HA3 0.152 4.112 3.960 0.000 0.000 0.278 367 G C -0.327 174.546 174.900 -0.045 0.000 1.212 367 G CA -0.477 44.632 45.100 0.014 0.000 0.939 367 G HN 0.140 nan 8.290 nan 0.000 0.513 368 D N -1.009 119.323 120.400 -0.113 0.000 2.349 368 D HA 0.041 4.681 4.640 0.000 0.000 0.224 368 D C -0.258 175.620 176.300 -0.703 0.000 1.029 368 D CA 0.870 54.624 54.000 -0.409 0.000 0.879 368 D CB 0.258 40.714 40.800 -0.574 0.000 0.906 368 D HN 0.382 nan 8.370 nan 0.000 0.528 369 Y N -0.510 119.800 120.300 0.017 0.000 2.685 369 Y HA 0.180 4.730 4.550 0.000 0.000 0.284 369 Y C -1.614 174.298 175.900 0.021 0.000 0.944 369 Y CA -1.621 56.490 58.100 0.018 0.000 1.107 369 Y CB 0.981 39.452 38.460 0.018 0.000 1.188 369 Y HN -0.112 nan 8.280 nan 0.000 0.635 370 P HA -0.240 nan 4.420 nan 0.000 0.214 370 P C 1.510 178.862 177.300 0.088 0.000 1.169 370 P CA 1.452 64.601 63.100 0.081 0.000 0.908 370 P CB 0.618 32.346 31.700 0.047 0.000 0.791 371 L N 0.144 121.417 121.223 0.084 0.000 2.012 371 L HA -0.159 4.181 4.340 0.000 0.000 0.210 371 L C 2.696 179.615 176.870 0.082 0.000 1.073 371 L CA 1.875 56.758 54.840 0.073 0.000 0.748 371 L CB -1.722 40.377 42.059 0.065 0.000 0.891 371 L HN -0.041 nan 8.230 nan 0.000 0.431 372 E N -0.531 119.740 120.200 0.119 0.000 2.118 372 E HA -0.190 4.160 4.350 0.000 0.000 0.195 372 E C 2.286 178.927 176.600 0.068 0.000 0.992 372 E CA 1.344 57.797 56.400 0.088 0.000 0.804 372 E CB -0.356 29.394 29.700 0.084 0.000 0.741 372 E HN 0.490 nan 8.360 nan 0.000 0.458 373 A N 0.947 123.820 122.820 0.089 0.000 1.898 373 A HA -0.124 4.196 4.320 0.000 0.000 0.216 373 A C 2.632 180.256 177.584 0.066 0.000 1.181 373 A CA 1.405 53.484 52.037 0.071 0.000 0.620 373 A CB -0.640 18.410 19.000 0.084 0.000 0.819 373 A HN 0.135 nan 8.150 nan 0.000 0.442 374 V N 0.106 120.060 119.914 0.066 0.000 2.295 374 V HA -0.276 3.844 4.120 0.000 0.000 0.246 374 V C 2.626 178.769 176.094 0.080 0.000 1.049 374 V CA 2.265 64.602 62.300 0.063 0.000 1.024 374 V CB -0.856 30.994 31.823 0.044 0.000 0.648 374 V HN 0.533 nan 8.190 nan 0.000 0.447 375 R N -0.864 119.676 120.500 0.067 0.000 2.105 375 R HA -0.199 4.141 4.340 0.000 0.000 0.239 375 R C 2.240 178.614 176.300 0.123 0.000 1.135 375 R CA 1.839 57.988 56.100 0.082 0.000 0.967 375 R CB -0.448 29.883 30.300 0.051 0.000 0.861 375 R HN 0.369 nan 8.270 nan 0.000 0.442 376 M N 1.031 120.681 119.600 0.082 0.000 2.132 376 M HA -0.159 4.321 4.480 0.000 0.000 0.263 376 M C 1.976 178.318 176.300 0.070 0.000 1.065 376 M CA 1.756 57.094 55.300 0.064 0.000 1.122 376 M CB -0.145 32.477 32.600 0.036 0.000 1.365 376 M HN 0.048 nan 8.290 nan 0.000 0.411 377 Q N -1.336 118.511 119.800 0.078 0.000 2.084 377 Q HA -0.245 4.096 4.340 0.000 0.000 0.202 377 Q C 2.241 178.292 176.000 0.084 0.000 0.978 377 Q CA 1.733 57.578 55.803 0.069 0.000 0.844 377 Q CB -0.549 28.230 28.738 0.068 0.000 0.898 377 Q HN 0.681 nan 8.270 nan 0.000 0.426 378 H N 0.271 119.362 119.070 0.034 0.000 2.352 378 H HA -0.158 4.398 4.556 0.000 0.000 0.299 378 H C 1.972 177.325 175.328 0.043 0.000 1.097 378 H CA 1.265 57.338 56.048 0.042 0.000 1.311 378 H CB 0.185 29.973 29.762 0.045 0.000 1.377 378 H HN 0.149 nan 8.280 nan 0.000 0.504 379 L N 0.975 122.225 121.223 0.046 0.000 1.994 379 L HA -0.157 4.183 4.340 0.000 0.000 0.208 379 L C 2.907 179.748 176.870 -0.049 0.000 1.071 379 L CA 1.339 56.174 54.840 -0.007 0.000 0.745 379 L CB -0.847 41.252 42.059 0.067 0.000 0.892 379 L HN 0.298 nan 8.230 nan 0.000 0.431 380 I N -1.084 119.478 120.570 -0.014 0.000 2.127 380 I HA -0.347 3.823 4.170 0.000 0.000 0.241 380 I C 2.604 178.706 176.117 -0.025 0.000 1.075 380 I CA 1.231 62.524 61.300 -0.012 0.000 1.334 380 I CB -0.720 37.282 38.000 0.003 0.000 1.040 380 I HN 0.265 nan 8.210 nan 0.000 0.405 381 A N 1.148 123.947 122.820 -0.036 0.000 1.869 381 A HA -0.268 4.052 4.320 0.000 0.000 0.218 381 A C 2.441 179.998 177.584 -0.045 0.000 1.203 381 A CA 1.917 53.935 52.037 -0.031 0.000 0.638 381 A CB -0.786 18.197 19.000 -0.029 0.000 0.831 381 A HN 0.303 nan 8.150 nan 0.000 0.450 382 R N -0.949 119.482 120.500 -0.115 0.000 2.115 382 R HA -0.239 4.101 4.340 0.000 0.000 0.239 382 R C 2.213 178.495 176.300 -0.029 0.000 1.133 382 R CA 1.983 58.026 56.100 -0.094 0.000 0.935 382 R CB -0.642 29.561 30.300 -0.161 0.000 0.853 382 R HN 0.651 nan 8.270 nan 0.000 0.433 383 E N 0.287 120.469 120.200 -0.029 0.000 2.070 383 E HA -0.184 4.167 4.350 0.000 0.000 0.197 383 E C 1.844 178.454 176.600 0.016 0.000 1.004 383 E CA 1.895 58.293 56.400 -0.003 0.000 0.805 383 E CB -0.253 29.444 29.700 -0.006 0.000 0.744 383 E HN 0.401 nan 8.360 nan 0.000 0.451 384 A N 0.414 123.243 122.820 0.015 0.000 1.930 384 A HA -0.189 4.131 4.320 0.000 0.000 0.217 384 A C 1.979 179.597 177.584 0.057 0.000 1.175 384 A CA 1.638 53.694 52.037 0.032 0.000 0.627 384 A CB -0.529 18.485 19.000 0.023 0.000 0.815 384 A HN 0.328 nan 8.150 nan 0.000 0.443 385 E N 0.038 120.274 120.200 0.060 0.000 2.085 385 E HA -0.145 4.205 4.350 0.000 0.000 0.194 385 E C 2.258 178.970 176.600 0.188 0.000 0.994 385 E CA 1.048 57.511 56.400 0.106 0.000 0.801 385 E CB -0.328 29.426 29.700 0.090 0.000 0.743 385 E HN 0.616 nan 8.360 nan 0.000 0.453 386 A N 1.509 124.415 122.820 0.143 0.000 1.972 386 A HA -0.049 4.271 4.320 0.000 0.000 0.219 386 A C 2.347 180.051 177.584 0.199 0.000 1.169 386 A CA 1.439 53.578 52.037 0.169 0.000 0.635 386 A CB -0.494 18.557 19.000 0.085 0.000 0.810 386 A HN 0.277 nan 8.150 nan 0.000 0.446 387 A N -0.897 122.005 122.820 0.137 0.000 2.216 387 A HA 0.250 4.570 4.320 0.000 0.000 0.214 387 A C 1.171 178.909 177.584 0.257 0.000 1.160 387 A CA 0.239 52.355 52.037 0.132 0.000 0.725 387 A CB -0.597 18.441 19.000 0.063 0.000 0.784 387 A HN 0.582 nan 8.150 nan 0.000 0.472 388 M N -1.264 118.439 119.600 0.172 0.000 2.240 388 M HA 0.113 4.593 4.480 0.000 0.000 0.317 388 M C 0.177 176.504 176.300 0.045 0.000 1.087 388 M CA 0.436 55.737 55.300 0.003 0.000 1.176 388 M CB 0.216 32.586 32.600 -0.383 0.000 1.439 388 M HN 0.391 nan 8.290 nan 0.000 0.452 389 F N 2.884 122.608 119.950 -0.378 0.000 2.640 389 F HA 0.138 4.665 4.527 0.000 0.000 0.331 389 F C 1.287 176.860 175.800 -0.378 0.000 1.200 389 F CA -0.652 56.927 58.000 -0.701 0.000 1.278 389 F CB -0.166 38.270 39.000 -0.939 0.000 1.571 389 F HN 0.662 nan 8.300 nan 0.000 0.576 390 H N 1.055 120.107 119.070 -0.030 0.000 2.297 390 H HA -0.309 4.247 4.556 0.000 0.000 0.289 390 H C 2.372 177.509 175.328 -0.318 0.000 1.105 390 H CA 2.261 58.227 56.048 -0.138 0.000 1.219 390 H CB -0.151 29.496 29.762 -0.192 0.000 1.351 390 H HN 0.527 nan 8.280 nan 0.000 0.481 391 R N 1.080 121.378 120.500 -0.336 0.000 2.097 391 R HA -0.137 4.203 4.340 0.000 0.000 0.236 391 R C 2.402 178.466 176.300 -0.392 0.000 1.135 391 R CA 1.590 57.453 56.100 -0.396 0.000 0.934 391 R CB 0.040 30.116 30.300 -0.372 0.000 0.846 391 R HN 0.162 nan 8.270 nan 0.000 0.431 392 K N 0.465 120.362 120.400 -0.838 0.000 2.057 392 K HA -0.176 4.144 4.320 0.000 0.000 0.207 392 K C 2.124 178.573 176.600 -0.252 0.000 1.049 392 K CA 1.066 56.966 56.287 -0.645 0.000 0.931 392 K CB -0.453 31.393 32.500 -1.090 0.000 0.714 392 K HN 0.167 nan 8.250 nan 0.000 0.440 393 L N 0.850 121.946 121.223 -0.212 0.000 1.990 393 L HA -0.199 4.141 4.340 0.000 0.000 0.213 393 L C 2.203 179.119 176.870 0.077 0.000 1.072 393 L CA 1.666 56.491 54.840 -0.026 0.000 0.755 393 L CB -0.913 41.137 42.059 -0.015 0.000 0.889 393 L HN 0.093 nan 8.230 nan 0.000 0.432 394 F N 0.576 120.540 119.950 0.022 0.000 2.095 394 F HA -0.234 4.293 4.527 0.000 0.000 0.298 394 F C 2.352 178.215 175.800 0.105 0.000 1.104 394 F CA 2.131 60.225 58.000 0.157 0.000 1.232 394 F CB -0.284 38.873 39.000 0.262 0.000 0.987 394 F HN 0.280 nan 8.300 nan 0.000 0.475 395 E N -0.034 120.220 120.200 0.090 0.000 2.058 395 E HA -0.235 4.115 4.350 0.000 0.000 0.194 395 E C 2.132 178.688 176.600 -0.074 0.000 0.997 395 E CA 1.730 58.122 56.400 -0.014 0.000 0.801 395 E CB -0.296 29.404 29.700 0.001 0.000 0.746 395 E HN 0.588 nan 8.360 nan 0.000 0.450 396 E N 0.362 120.535 120.200 -0.045 0.000 2.106 396 E HA -0.170 4.180 4.350 0.000 0.000 0.192 396 E C 2.059 178.635 176.600 -0.040 0.000 0.984 396 E CA 0.490 56.872 56.400 -0.029 0.000 0.806 396 E CB 0.007 29.705 29.700 -0.003 0.000 0.750 396 E HN 0.109 nan 8.360 nan 0.000 0.458 397 L N 0.971 122.162 121.223 -0.054 0.000 2.083 397 L HA -0.125 4.215 4.340 0.000 0.000 0.209 397 L C 2.311 179.175 176.870 -0.010 0.000 1.083 397 L CA 1.647 56.459 54.840 -0.046 0.000 0.752 397 L CB -1.171 40.861 42.059 -0.044 0.000 0.899 397 L HN 0.042 nan 8.230 nan 0.000 0.433 398 A N -0.768 121.975 122.820 -0.128 0.000 1.873 398 A HA -0.213 4.107 4.320 0.000 0.000 0.215 398 A C 2.432 179.984 177.584 -0.053 0.000 1.186 398 A CA 1.505 53.454 52.037 -0.146 0.000 0.616 398 A CB -0.400 18.383 19.000 -0.362 0.000 0.823 398 A HN 0.296 nan 8.150 nan 0.000 0.442 399 R N -0.122 120.348 120.500 -0.050 0.000 2.091 399 R HA -0.076 4.264 4.340 0.000 0.000 0.238 399 R C 2.383 178.693 176.300 0.017 0.000 1.136 399 R CA 1.483 57.573 56.100 -0.016 0.000 0.959 399 R CB -0.684 29.608 30.300 -0.013 0.000 0.856 399 R HN 0.516 nan 8.270 nan 0.000 0.437 400 A N 0.234 123.063 122.820 0.015 0.000 1.948 400 A HA -0.196 4.124 4.320 0.000 0.000 0.220 400 A C 1.848 179.468 177.584 0.059 0.000 1.177 400 A CA 2.124 54.178 52.037 0.029 0.000 0.636 400 A CB -0.470 18.533 19.000 0.004 0.000 0.815 400 A HN 0.447 nan 8.150 nan 0.000 0.449 401 S N -0.727 115.016 115.700 0.072 0.000 2.593 401 S HA 0.121 4.591 4.470 0.000 0.000 0.236 401 S C 1.379 176.039 174.600 0.100 0.000 0.991 401 S CA 0.639 58.899 58.200 0.100 0.000 0.963 401 S CB -0.244 63.034 63.200 0.130 0.000 0.865 401 S HN 0.771 nan 8.310 nan 0.000 0.488 402 S N 1.652 117.393 115.700 0.068 0.000 2.423 402 S HA -0.278 4.192 4.470 0.000 0.000 0.238 402 S C 1.438 176.026 174.600 -0.020 0.000 1.028 402 S CA 1.597 59.797 58.200 0.001 0.000 1.000 402 S CB -0.942 62.228 63.200 -0.050 0.000 0.797 402 S HN 0.716 nan 8.310 nan 0.000 0.487 403 H N 1.488 120.558 119.070 -0.000 0.000 2.457 403 H HA 0.243 4.799 4.556 0.000 0.000 0.294 403 H C 1.440 176.767 175.328 -0.001 0.000 1.064 403 H CA 1.068 57.115 56.048 -0.002 0.000 1.330 403 H CB -0.199 29.563 29.762 -0.000 0.000 1.395 403 H HN 0.464 nan 8.280 nan 0.000 0.541 404 S N 0.050 115.820 115.700 0.116 0.000 2.584 404 S HA 0.156 4.626 4.470 0.000 0.000 0.273 404 S C 0.897 175.512 174.600 0.025 0.000 1.311 404 S CA -0.036 58.203 58.200 0.065 0.000 1.034 404 S CB 0.621 63.861 63.200 0.067 0.000 0.939 404 S HN 0.435 nan 8.310 nan 0.000 0.513 405 T N 0.474 115.030 114.554 0.004 0.000 3.393 405 T HA 0.231 4.581 4.350 0.000 0.000 0.298 405 T C -0.242 174.433 174.700 -0.041 0.000 1.004 405 T CA -0.533 61.554 62.100 -0.020 0.000 0.956 405 T CB -0.473 68.381 68.868 -0.024 0.000 1.182 405 T HN 0.629 nan 8.240 nan 0.000 0.497 406 D N 1.368 121.745 120.400 -0.038 0.000 2.533 406 D HA 0.055 4.696 4.640 0.000 0.000 0.236 406 D C 1.351 177.569 176.300 -0.137 0.000 1.137 406 D CA -0.018 53.934 54.000 -0.081 0.000 0.867 406 D CB 0.502 41.274 40.800 -0.046 0.000 1.170 406 D HN 0.167 nan 8.370 nan 0.000 0.474 407 L N 3.223 124.290 121.223 -0.259 0.000 2.046 407 L HA -0.192 4.148 4.340 0.000 0.000 0.208 407 L C 2.220 178.881 176.870 -0.349 0.000 1.077 407 L CA 0.899 55.527 54.840 -0.353 0.000 0.747 407 L CB -0.428 41.261 42.059 -0.618 0.000 0.896 407 L HN 0.632 nan 8.230 nan 0.000 0.432 408 M N -0.009 119.320 119.600 -0.451 0.000 2.175 408 M HA -0.171 4.309 4.480 0.000 0.000 0.264 408 M C 2.034 178.351 176.300 0.029 0.000 1.063 408 M CA 1.683 56.922 55.300 -0.103 0.000 1.119 408 M CB -0.395 32.191 32.600 -0.023 0.000 1.377 408 M HN 0.101 nan 8.290 nan 0.000 0.415 409 E N -0.323 119.881 120.200 0.007 0.000 2.085 409 E HA -0.209 4.141 4.350 0.000 0.000 0.194 409 E C 1.959 178.543 176.600 -0.027 0.000 0.994 409 E CA 1.384 57.827 56.400 0.071 0.000 0.801 409 E CB -0.296 29.456 29.700 0.086 0.000 0.743 409 E HN 0.652 nan 8.360 nan 0.000 0.453 410 A N 1.227 124.022 122.820 -0.041 0.000 1.883 410 A HA -0.215 4.105 4.320 0.000 0.000 0.217 410 A C 2.151 179.735 177.584 -0.001 0.000 1.186 410 A CA 1.462 53.473 52.037 -0.043 0.000 0.624 410 A CB -0.374 18.609 19.000 -0.027 0.000 0.822 410 A HN 0.140 nan 8.150 nan 0.000 0.444 411 M N -0.354 119.283 119.600 0.062 0.000 2.080 411 M HA -0.159 4.321 4.480 0.000 0.000 0.260 411 M C 2.549 178.893 176.300 0.073 0.000 1.068 411 M CA 1.677 57.041 55.300 0.107 0.000 1.109 411 M CB -1.677 31.056 32.600 0.223 0.000 1.342 411 M HN 0.499 nan 8.290 nan 0.000 0.405 412 A N 0.425 123.296 122.820 0.085 0.000 1.859 412 A HA -0.218 4.102 4.320 0.000 0.000 0.217 412 A C 2.258 179.872 177.584 0.051 0.000 1.198 412 A CA 2.163 54.265 52.037 0.108 0.000 0.629 412 A CB -0.742 18.390 19.000 0.219 0.000 0.830 412 A HN 0.520 nan 8.150 nan 0.000 0.446 413 M N -0.676 118.872 119.600 -0.087 0.000 2.108 413 M HA -0.137 4.343 4.480 0.000 0.000 0.261 413 M C 2.308 178.632 176.300 0.039 0.000 1.066 413 M CA 1.519 56.783 55.300 -0.059 0.000 1.107 413 M CB -0.775 31.652 32.600 -0.289 0.000 1.356 413 M HN 0.543 nan 8.290 nan 0.000 0.406 414 G N -0.351 108.447 108.800 -0.002 0.000 2.418 414 G HA2 -0.178 3.782 3.960 0.000 0.000 0.217 414 G HA3 -0.178 3.782 3.960 0.000 0.000 0.217 414 G C 1.606 176.474 174.900 -0.054 0.000 1.158 414 G CA 1.144 46.236 45.100 -0.013 0.000 0.771 414 G HN 0.444 nan 8.290 nan 0.000 0.545 415 S N 0.117 115.791 115.700 -0.043 0.000 2.345 415 S HA -0.110 4.360 4.470 0.000 0.000 0.220 415 S C 2.523 177.020 174.600 -0.172 0.000 1.031 415 S CA 1.210 59.366 58.200 -0.073 0.000 0.996 415 S CB -0.394 62.789 63.200 -0.027 0.000 0.882 415 S HN 0.175 nan 8.310 nan 0.000 0.445 416 V N 1.965 121.757 119.914 -0.203 0.000 2.332 416 V HA -0.200 3.920 4.120 0.000 0.000 0.248 416 V C 2.572 178.190 176.094 -0.793 0.000 1.055 416 V CA 2.115 64.133 62.300 -0.471 0.000 1.038 416 V CB -0.776 30.862 31.823 -0.308 0.000 0.651 416 V HN 0.392 nan 8.190 nan 0.000 0.450 417 E N 0.968 120.822 120.200 -0.577 0.000 2.023 417 E HA -0.231 4.119 4.350 0.000 0.000 0.196 417 E C 2.188 178.644 176.600 -0.239 0.000 1.003 417 E CA 1.989 58.129 56.400 -0.434 0.000 0.809 417 E CB -0.699 28.864 29.700 -0.229 0.000 0.755 417 E HN 0.480 nan 8.360 nan 0.000 0.449 418 A N 0.280 122.991 122.820 -0.181 0.000 1.917 418 A HA -0.259 4.061 4.320 0.000 0.000 0.219 418 A C 2.436 179.943 177.584 -0.128 0.000 1.182 418 A CA 2.950 54.917 52.037 -0.116 0.000 0.633 418 A CB -1.240 17.706 19.000 -0.091 0.000 0.819 418 A HN 0.476 nan 8.150 nan 0.000 0.448 419 S N -1.310 114.265 115.700 -0.208 0.000 2.382 419 S HA -0.209 4.261 4.470 0.000 0.000 0.228 419 S C 1.894 176.415 174.600 -0.131 0.000 1.027 419 S CA 1.559 59.642 58.200 -0.195 0.000 0.991 419 S CB -0.814 62.228 63.200 -0.263 0.000 0.823 419 S HN 0.528 nan 8.310 nan 0.000 0.469 420 Y N 2.260 122.471 120.300 -0.147 0.000 2.145 420 Y HA 0.088 4.638 4.550 0.000 0.000 0.286 420 Y C 2.700 178.535 175.900 -0.107 0.000 1.145 420 Y CA 1.076 59.089 58.100 -0.145 0.000 1.148 420 Y CB -0.990 37.357 38.460 -0.189 0.000 0.981 420 Y HN 0.248 nan 8.280 nan 0.000 0.507 421 K N 0.772 121.213 120.400 0.069 0.000 2.032 421 K HA -0.165 4.155 4.320 0.000 0.000 0.209 421 K C 1.859 178.461 176.600 0.002 0.000 1.048 421 K CA 1.947 58.246 56.287 0.020 0.000 0.927 421 K CB -0.712 31.786 32.500 -0.004 0.000 0.712 421 K HN 0.500 nan 8.250 nan 0.000 0.441 422 C N -0.560 118.731 119.300 -0.014 0.000 2.855 422 C HA 0.485 4.946 4.460 0.000 0.000 0.279 422 C C 0.504 175.483 174.990 -0.019 0.000 1.270 422 C CA -0.851 58.155 59.018 -0.020 0.000 1.702 422 C CB -1.407 26.313 27.740 -0.033 0.000 1.949 422 C HN 0.462 nan 8.230 nan 0.000 0.618 423 L N 0.587 121.805 121.223 -0.008 0.000 3.677 423 L HA -0.225 4.115 4.340 0.000 0.000 0.464 423 L C 1.092 177.947 176.870 -0.025 0.000 1.278 423 L CA 0.315 55.151 54.840 -0.006 0.000 0.806 423 L CB -2.163 39.897 42.059 0.000 0.000 1.610 423 L HN 0.709 nan 8.230 nan 0.000 0.867 424 A N 0.204 122.996 122.820 -0.047 0.000 2.507 424 A HA 0.470 4.790 4.320 0.000 0.000 0.235 424 A C 1.443 178.998 177.584 -0.048 0.000 1.070 424 A CA 0.721 52.718 52.037 -0.066 0.000 0.768 424 A CB 0.563 19.510 19.000 -0.089 0.000 1.011 424 A HN 0.735 nan 8.150 nan 0.000 0.502 425 A N 1.048 123.834 122.820 -0.057 0.000 2.067 425 A HA 0.502 4.822 4.320 0.000 0.000 0.217 425 A C 1.082 178.706 177.584 0.066 0.000 1.156 425 A CA 1.778 53.829 52.037 0.022 0.000 0.683 425 A CB -0.461 18.559 19.000 0.035 0.000 0.808 425 A HN 2.520 nan 8.150 nan 0.000 0.455 426 A N -2.222 120.587 122.820 -0.018 0.000 2.522 426 A HA 0.572 4.892 4.320 0.000 0.000 0.291 426 A C -2.031 175.536 177.584 -0.028 0.000 1.039 426 A CA -0.636 51.417 52.037 0.026 0.000 0.643 426 A CB 0.051 19.177 19.000 0.210 0.000 1.310 426 A HN 0.354 nan 8.150 nan 0.000 0.436 427 L N 0.833 122.058 121.223 0.003 0.000 2.349 427 L HA 0.608 4.948 4.340 0.000 0.000 0.278 427 L C -0.637 176.248 176.870 0.024 0.000 0.996 427 L CA 0.032 54.866 54.840 -0.010 0.000 0.825 427 L CB 1.612 43.662 42.059 -0.014 0.000 1.243 427 L HN 0.578 nan 8.230 nan 0.000 0.412 428 I N 3.925 124.500 120.570 0.009 0.000 2.315 428 I HA 0.392 4.562 4.170 0.000 0.000 0.291 428 I C -0.638 175.487 176.117 0.014 0.000 1.006 428 I CA -0.625 60.692 61.300 0.027 0.000 1.265 428 I CB 1.383 39.391 38.000 0.013 0.000 1.387 428 I HN 0.209 nan 8.210 nan 0.000 0.475 429 V N 7.680 127.607 119.914 0.022 0.000 2.444 429 V HA 0.309 4.429 4.120 0.000 0.000 0.294 429 V C -0.258 175.834 176.094 -0.003 0.000 1.022 429 V CA -0.656 61.650 62.300 0.009 0.000 0.850 429 V CB 1.782 33.611 31.823 0.010 0.000 0.992 429 V HN 0.372 nan 8.190 nan 0.000 0.426 430 L N 4.706 125.922 121.223 -0.013 0.000 2.261 430 L HA 0.649 4.989 4.340 0.000 0.000 0.289 430 L C 0.356 177.215 176.870 -0.018 0.000 1.059 430 L CA 0.909 55.734 54.840 -0.024 0.000 0.816 430 L CB 1.181 43.212 42.059 -0.047 0.000 1.191 430 L HN 0.800 nan 8.230 nan 0.000 0.431 431 T N 1.536 116.073 114.554 -0.029 0.000 2.916 431 T HA 0.441 4.791 4.350 0.000 0.000 0.305 431 T C 0.379 175.054 174.700 -0.041 0.000 1.119 431 T CA -0.410 61.664 62.100 -0.043 0.000 1.008 431 T CB 1.301 70.116 68.868 -0.088 0.000 1.129 431 T HN 0.571 nan 8.240 nan 0.000 0.480 432 E N 1.109 121.288 120.200 -0.035 0.000 2.290 432 E HA 0.088 4.438 4.350 0.000 0.000 0.199 432 E C 2.087 178.673 176.600 -0.023 0.000 0.912 432 E CA 0.959 57.347 56.400 -0.020 0.000 0.924 432 E CB 0.077 29.774 29.700 -0.005 0.000 0.901 432 E HN 0.662 nan 8.360 nan 0.000 0.487 433 S N -0.902 114.776 115.700 -0.037 0.000 2.478 433 S HA 0.207 4.677 4.470 0.000 0.000 0.222 433 S C 1.709 176.250 174.600 -0.099 0.000 1.008 433 S CA 0.968 59.151 58.200 -0.029 0.000 0.928 433 S CB 0.531 63.725 63.200 -0.010 0.000 0.781 433 S HN 0.274 nan 8.310 nan 0.000 0.518 434 G N 2.072 110.746 108.800 -0.211 0.000 2.234 434 G HA2 -0.342 3.618 3.960 0.000 0.000 0.235 434 G HA3 -0.342 3.618 3.960 0.000 0.000 0.235 434 G C 0.995 175.353 174.900 -0.903 0.000 0.997 434 G CA 0.408 45.198 45.100 -0.516 0.000 0.623 434 G HN 0.479 nan 8.290 nan 0.000 0.514 435 R N 1.200 121.420 120.500 -0.466 0.000 2.133 435 R HA -0.169 4.171 4.340 0.000 0.000 0.245 435 R C 2.618 178.815 176.300 -0.173 0.000 1.137 435 R CA 2.659 58.616 56.100 -0.239 0.000 0.947 435 R CB -0.623 29.665 30.300 -0.020 0.000 0.865 435 R HN 0.498 nan 8.270 nan 0.000 0.437 436 S N 0.390 116.027 115.700 -0.104 0.000 2.365 436 S HA -0.190 4.280 4.470 0.000 0.000 0.225 436 S C 2.058 176.633 174.600 -0.042 0.000 1.039 436 S CA 1.435 59.631 58.200 -0.007 0.000 1.033 436 S CB -0.352 62.862 63.200 0.024 0.000 0.887 436 S HN 0.600 nan 8.310 nan 0.000 0.447 437 A N 1.977 124.708 122.820 -0.149 0.000 1.898 437 A HA -0.123 4.197 4.320 0.000 0.000 0.216 437 A C 1.879 179.415 177.584 -0.079 0.000 1.181 437 A CA 1.360 53.334 52.037 -0.104 0.000 0.620 437 A CB -0.864 18.058 19.000 -0.130 0.000 0.819 437 A HN 0.492 nan 8.150 nan 0.000 0.442 438 H N -0.580 118.337 119.070 -0.255 0.000 2.289 438 H HA -0.174 4.382 4.556 0.000 0.000 0.296 438 H C 2.193 177.448 175.328 -0.121 0.000 1.091 438 H CA 2.033 57.811 56.048 -0.449 0.000 1.274 438 H CB -0.737 28.654 29.762 -0.618 0.000 1.364 438 H HN 0.480 nan 8.280 nan 0.000 0.490 439 Q N 0.543 120.402 119.800 0.098 0.000 2.112 439 Q HA -0.099 4.241 4.340 0.000 0.000 0.206 439 Q C 2.551 178.674 176.000 0.206 0.000 0.987 439 Q CA 1.245 57.138 55.803 0.150 0.000 0.858 439 Q CB -0.486 28.341 28.738 0.149 0.000 0.905 439 Q HN 0.272 nan 8.270 nan 0.000 0.420 440 V N -0.010 119.997 119.914 0.155 0.000 2.427 440 V HA -0.219 3.901 4.120 0.000 0.000 0.248 440 V C 2.091 178.292 176.094 0.179 0.000 1.051 440 V CA 1.585 63.988 62.300 0.172 0.000 1.048 440 V CB -1.024 30.859 31.823 0.100 0.000 0.666 440 V HN 0.442 nan 8.190 nan 0.000 0.456 441 A N -0.241 122.666 122.820 0.145 0.000 1.969 441 A HA -0.172 4.148 4.320 0.000 0.000 0.218 441 A C 2.391 180.057 177.584 0.137 0.000 1.169 441 A CA 1.270 53.402 52.037 0.159 0.000 0.635 441 A CB -0.514 18.604 19.000 0.197 0.000 0.810 441 A HN 0.350 nan 8.150 nan 0.000 0.445 442 R N -0.897 119.651 120.500 0.080 0.000 2.103 442 R HA -0.167 4.173 4.340 0.000 0.000 0.242 442 R C 0.357 176.492 176.300 -0.274 0.000 1.142 442 R CA 1.556 57.586 56.100 -0.117 0.000 0.960 442 R CB -0.447 29.711 30.300 -0.237 0.000 0.858 442 R HN 0.601 nan 8.270 nan 0.000 0.439 443 Y N 1.362 121.760 120.300 0.162 0.000 2.596 443 Y HA 0.212 4.763 4.550 0.000 0.000 0.316 443 Y C 0.107 176.212 175.900 0.342 0.000 1.156 443 Y CA -0.445 57.800 58.100 0.241 0.000 1.300 443 Y CB 0.076 38.727 38.460 0.319 0.000 1.130 443 Y HN -0.114 nan 8.280 nan 0.000 0.518 444 R N -0.065 120.615 120.500 0.299 0.000 2.879 444 R HA -0.184 4.156 4.340 0.000 0.000 0.241 444 R C -2.775 173.759 176.300 0.391 0.000 0.845 444 R CA 0.063 56.353 56.100 0.318 0.000 0.599 444 R CB -1.977 28.501 30.300 0.297 0.000 1.213 444 R HN 0.343 nan 8.270 nan 0.000 0.510 445 P HA 0.032 nan 4.420 nan 0.000 0.273 445 P C 0.630 178.040 177.300 0.184 0.000 1.250 445 P CA -0.294 62.827 63.100 0.036 0.000 0.793 445 P CB 0.709 32.363 31.700 -0.076 0.000 1.011 446 R N 0.886 121.436 120.500 0.083 0.000 2.090 446 R HA 0.118 4.458 4.340 0.000 0.000 0.219 446 R C 0.972 177.259 176.300 -0.022 0.000 1.100 446 R CA 0.461 56.515 56.100 -0.077 0.000 0.991 446 R CB -0.405 29.697 30.300 -0.330 0.000 0.893 446 R HN 0.589 nan 8.270 nan 0.000 0.443 447 A N 2.350 125.147 122.820 -0.039 0.000 2.346 447 A HA 0.352 4.672 4.320 0.000 0.000 0.252 447 A C -2.241 175.320 177.584 -0.039 0.000 1.089 447 A CA -1.337 50.672 52.037 -0.046 0.000 0.797 447 A CB -0.070 18.903 19.000 -0.045 0.000 1.047 447 A HN 0.286 nan 8.150 nan 0.000 0.494 448 P HA 0.291 nan 4.420 nan 0.000 0.274 448 P C -0.964 176.341 177.300 0.007 0.000 1.231 448 P CA 0.161 63.207 63.100 -0.090 0.000 0.790 448 P CB 0.645 32.133 31.700 -0.355 0.000 0.951 449 I N 3.378 123.989 120.570 0.069 0.000 2.337 449 I HA 0.290 4.460 4.170 0.000 0.000 0.285 449 I C 0.584 176.788 176.117 0.144 0.000 1.041 449 I CA -0.674 60.680 61.300 0.091 0.000 1.199 449 I CB 0.544 38.598 38.000 0.090 0.000 1.370 449 I HN 0.113 nan 8.210 nan 0.000 0.470 450 I N 6.323 126.981 120.570 0.145 0.000 2.294 450 I HA 0.265 4.435 4.170 0.000 0.000 0.295 450 I C 0.710 176.903 176.117 0.126 0.000 1.098 450 I CA -0.098 61.312 61.300 0.183 0.000 1.277 450 I CB 0.623 38.732 38.000 0.182 0.000 1.434 450 I HN 0.570 nan 8.210 nan 0.000 0.498 451 A N 7.152 130.043 122.820 0.118 0.000 2.269 451 A HA 0.564 4.884 4.320 0.000 0.000 0.302 451 A C -0.239 177.374 177.584 0.049 0.000 1.266 451 A CA -0.390 51.679 52.037 0.053 0.000 0.894 451 A CB 0.521 19.531 19.000 0.016 0.000 1.147 451 A HN 0.465 nan 8.150 nan 0.000 0.537 452 V N 3.136 123.066 119.914 0.027 0.000 2.350 452 V HA 0.585 4.705 4.120 0.000 0.000 0.276 452 V C 0.549 176.636 176.094 -0.011 0.000 1.028 452 V CA -0.013 62.296 62.300 0.016 0.000 0.860 452 V CB 1.129 32.957 31.823 0.009 0.000 0.990 452 V HN 0.967 nan 8.190 nan 0.000 0.453 453 T N 4.379 118.921 114.554 -0.020 0.000 2.906 453 T HA 0.448 4.798 4.350 0.000 0.000 0.295 453 T C 0.634 175.302 174.700 -0.054 0.000 1.075 453 T CA -0.606 61.475 62.100 -0.032 0.000 1.005 453 T CB 1.841 70.690 68.868 -0.031 0.000 1.136 453 T HN 0.629 nan 8.240 nan 0.000 0.498 454 R N 1.183 121.661 120.500 -0.036 0.000 2.290 454 R HA 0.198 4.538 4.340 0.000 0.000 0.197 454 R C 0.463 176.754 176.300 -0.014 0.000 0.913 454 R CA -0.185 55.894 56.100 -0.036 0.000 1.040 454 R CB 0.200 30.503 30.300 0.005 0.000 0.992 454 R HN 0.435 nan 8.270 nan 0.000 0.500 455 N N 0.787 119.488 118.700 0.002 0.000 2.408 455 N HA -0.028 4.712 4.740 0.000 0.000 0.257 455 N C 0.246 175.786 175.510 0.051 0.000 1.064 455 N CA 0.298 53.386 53.050 0.063 0.000 0.952 455 N CB 0.867 39.385 38.487 0.051 0.000 1.093 455 N HN 0.093 nan 8.380 nan 0.000 0.490 456 H N 2.127 121.232 119.070 0.059 0.000 2.357 456 H HA -0.087 4.469 4.556 0.000 0.000 0.301 456 H C 1.618 176.997 175.328 0.086 0.000 1.082 456 H CA 1.867 57.966 56.048 0.084 0.000 1.342 456 H CB 0.220 30.031 29.762 0.083 0.000 1.389 456 H HN 0.683 nan 8.280 nan 0.000 0.511 457 Q N 0.077 119.994 119.800 0.196 0.000 2.170 457 Q HA -0.148 4.192 4.340 0.000 0.000 0.203 457 Q C 1.680 177.754 176.000 0.124 0.000 0.976 457 Q CA 1.791 57.677 55.803 0.139 0.000 0.858 457 Q CB 0.047 28.847 28.738 0.104 0.000 0.907 457 Q HN 0.366 nan 8.270 nan 0.000 0.433 458 T N 0.302 114.919 114.554 0.104 0.000 2.668 458 T HA -0.119 4.231 4.350 0.000 0.000 0.262 458 T C 1.778 176.528 174.700 0.084 0.000 1.045 458 T CA 1.371 63.525 62.100 0.090 0.000 1.152 458 T CB -0.571 68.323 68.868 0.044 0.000 0.864 458 T HN 0.519 nan 8.240 nan 0.000 0.419 459 A N 1.608 124.459 122.820 0.052 0.000 1.903 459 A HA -0.242 4.078 4.320 0.000 0.000 0.219 459 A C 2.321 179.932 177.584 0.045 0.000 1.191 459 A CA 2.124 54.175 52.037 0.023 0.000 0.638 459 A CB -0.655 18.353 19.000 0.013 0.000 0.823 459 A HN 0.410 nan 8.150 nan 0.000 0.451 460 R N -0.886 119.689 120.500 0.125 0.000 2.070 460 R HA -0.146 4.194 4.340 0.000 0.000 0.233 460 R C 2.497 178.930 176.300 0.222 0.000 1.137 460 R CA 1.854 58.069 56.100 0.192 0.000 0.945 460 R CB -0.293 30.107 30.300 0.166 0.000 0.845 460 R HN 0.735 nan 8.270 nan 0.000 0.430 461 Q N -0.581 119.327 119.800 0.181 0.000 2.291 461 Q HA -0.032 4.308 4.340 0.000 0.000 0.205 461 Q C 1.948 178.104 176.000 0.261 0.000 0.970 461 Q CA 0.914 56.840 55.803 0.205 0.000 0.876 461 Q CB 0.058 28.913 28.738 0.195 0.000 0.935 461 Q HN 0.347 nan 8.270 nan 0.000 0.455 462 A N 0.741 123.687 122.820 0.210 0.000 1.986 462 A HA -0.249 4.071 4.320 0.000 0.000 0.220 462 A C 1.340 179.039 177.584 0.191 0.000 1.171 462 A CA 1.646 53.818 52.037 0.224 0.000 0.640 462 A CB -0.733 18.290 19.000 0.039 0.000 0.811 462 A HN 0.424 nan 8.150 nan 0.000 0.451 463 H N -1.446 117.719 119.070 0.158 0.000 2.489 463 H HA -0.086 4.470 4.556 0.000 0.000 0.295 463 H C 1.643 177.026 175.328 0.090 0.000 1.082 463 H CA 1.137 57.244 56.048 0.097 0.000 1.295 463 H CB -0.052 29.734 29.762 0.040 0.000 1.380 463 H HN 0.350 nan 8.280 nan 0.000 0.548 464 L N -0.053 121.280 121.223 0.183 0.000 2.265 464 L HA -0.143 4.197 4.340 0.000 0.000 0.215 464 L C -0.182 176.545 176.870 -0.237 0.000 1.117 464 L CA 1.267 56.072 54.840 -0.057 0.000 0.782 464 L CB -0.572 41.380 42.059 -0.179 0.000 0.914 464 L HN 0.242 nan 8.230 nan 0.000 0.441 465 Y N -0.889 119.429 120.300 0.030 0.000 2.330 465 Y HA 0.435 4.985 4.550 0.000 0.000 0.336 465 Y C 0.811 176.746 175.900 0.058 0.000 1.036 465 Y CA -1.278 56.839 58.100 0.029 0.000 1.125 465 Y CB 0.614 39.103 38.460 0.047 0.000 1.194 465 Y HN -0.157 nan 8.280 nan 0.000 0.469 466 R N 1.602 122.206 120.500 0.174 0.000 2.502 466 R HA 0.266 4.606 4.340 0.000 0.000 0.292 466 R C 1.168 177.565 176.300 0.162 0.000 0.998 466 R CA 1.253 57.436 56.100 0.138 0.000 1.056 466 R CB -0.441 29.922 30.300 0.105 0.000 0.939 466 R HN 0.971 nan 8.270 nan 0.000 0.411 467 G N 3.837 112.724 108.800 0.144 0.000 2.267 467 G HA2 -0.310 3.651 3.960 0.000 0.000 0.257 467 G HA3 -0.310 3.651 3.960 0.000 0.000 0.257 467 G C 0.278 175.270 174.900 0.153 0.000 0.998 467 G CA 0.284 45.466 45.100 0.137 0.000 0.620 467 G HN 0.575 nan 8.290 nan 0.000 0.529 468 I N 0.883 121.551 120.570 0.163 0.000 2.396 468 I HA 0.407 4.577 4.170 0.000 0.000 0.289 468 I C -0.101 176.100 176.117 0.139 0.000 1.056 468 I CA -0.508 60.880 61.300 0.147 0.000 1.365 468 I CB 0.688 38.764 38.000 0.126 0.000 1.407 468 I HN 0.082 nan 8.210 nan 0.000 0.509 469 F N 10.266 130.237 119.950 0.035 0.000 2.307 469 F HA 0.458 4.985 4.527 0.000 0.000 0.369 469 F C -2.120 173.688 175.800 0.013 0.000 1.076 469 F CA -2.984 55.049 58.000 0.055 0.000 1.149 469 F CB 0.564 39.670 39.000 0.178 0.000 1.410 469 F HN 0.250 nan 8.300 nan 0.000 0.481 470 P HA 0.083 nan 4.420 nan 0.000 0.268 470 P C -1.060 176.294 177.300 0.090 0.000 1.205 470 P CA 0.177 63.262 63.100 -0.024 0.000 0.771 470 P CB 1.902 33.486 31.700 -0.193 0.000 0.858 471 V N 3.897 123.875 119.914 0.105 0.000 2.623 471 V HA 0.163 4.283 4.120 0.000 0.000 0.304 471 V C 0.083 176.211 176.094 0.057 0.000 1.054 471 V CA -0.786 61.589 62.300 0.124 0.000 0.882 471 V CB 2.433 34.343 31.823 0.144 0.000 1.002 471 V HN 0.253 nan 8.190 nan 0.000 0.424 472 V N 3.941 123.892 119.914 0.063 0.000 2.364 472 V HA 0.233 4.353 4.120 0.000 0.000 0.272 472 V C 0.392 176.466 176.094 -0.033 0.000 1.036 472 V CA -0.428 61.844 62.300 -0.047 0.000 0.880 472 V CB 1.299 33.028 31.823 -0.158 0.000 0.991 472 V HN 1.038 nan 8.190 nan 0.000 0.460 473 C N 6.533 125.805 119.300 -0.046 0.000 2.566 473 C HA 0.316 4.776 4.460 0.000 0.000 0.393 473 C C 1.413 176.387 174.990 -0.027 0.000 1.309 473 C CA -0.305 58.698 59.018 -0.025 0.000 1.801 473 C CB -0.606 27.118 27.740 -0.026 0.000 2.493 473 C HN 1.008 nan 8.230 nan 0.000 0.575 474 K N 2.714 123.110 120.400 -0.007 0.000 2.358 474 K HA 0.145 4.465 4.320 0.000 0.000 0.200 474 K C 0.059 176.667 176.600 0.013 0.000 1.030 474 K CA -0.176 56.119 56.287 0.014 0.000 1.097 474 K CB 0.213 32.721 32.500 0.013 0.000 0.862 474 K HN 0.722 nan 8.250 nan 0.000 0.534 475 D N 3.021 123.422 120.400 0.002 0.000 2.372 475 D HA 0.080 4.720 4.640 0.000 0.000 0.243 475 D C -2.165 174.137 176.300 0.002 0.000 1.121 475 D CA -1.230 52.769 54.000 -0.001 0.000 0.898 475 D CB 0.917 41.711 40.800 -0.010 0.000 1.202 475 D HN 0.027 nan 8.370 nan 0.000 0.428 476 P HA 0.028 nan 4.420 nan 0.000 0.274 476 P C -0.131 177.172 177.300 0.005 0.000 1.231 476 P CA -0.421 62.684 63.100 0.008 0.000 0.790 476 P CB 0.752 32.456 31.700 0.007 0.000 0.951 477 V N 2.545 122.466 119.914 0.012 0.000 2.644 477 V HA -0.100 4.020 4.120 0.000 0.000 0.305 477 V C 1.135 177.236 176.094 0.012 0.000 1.053 477 V CA 0.692 63.002 62.300 0.015 0.000 1.186 477 V CB -0.580 31.262 31.823 0.033 0.000 0.895 477 V HN 0.587 nan 8.190 nan 0.000 0.490 478 Q N 2.840 122.641 119.800 0.002 0.000 2.312 478 Q HA 0.158 4.499 4.340 0.000 0.000 0.236 478 Q C 1.148 177.162 176.000 0.024 0.000 0.965 478 Q CA 0.005 55.808 55.803 0.001 0.000 0.894 478 Q CB 0.710 29.434 28.738 -0.024 0.000 1.225 478 Q HN 0.690 nan 8.270 nan 0.000 0.478 479 E N 1.140 121.354 120.200 0.023 0.000 2.031 479 E HA -0.079 4.271 4.350 0.000 0.000 0.193 479 E C -0.536 176.099 176.600 0.059 0.000 0.994 479 E CA 0.981 57.402 56.400 0.036 0.000 0.800 479 E CB 0.022 29.737 29.700 0.025 0.000 0.752 479 E HN 0.612 nan 8.360 nan 0.000 0.447 480 A N 1.899 124.748 122.820 0.049 0.000 2.302 480 A HA 0.050 4.370 4.320 0.000 0.000 0.295 480 A C 0.905 178.546 177.584 0.095 0.000 1.235 480 A CA -0.420 51.662 52.037 0.075 0.000 0.876 480 A CB -0.477 18.548 19.000 0.042 0.000 1.133 480 A HN 0.556 nan 8.150 nan 0.000 0.533 481 W N 3.511 124.797 121.300 -0.023 0.000 2.290 481 W HA -0.382 4.278 4.660 0.000 0.000 0.323 481 W C 1.650 178.151 176.519 -0.030 0.000 1.260 481 W CA 2.794 60.119 57.345 -0.034 0.000 1.266 481 W CB -0.484 28.952 29.460 -0.040 0.000 1.149 481 W HN 0.758 nan 8.180 nan 0.000 0.482 482 A N 0.777 123.539 122.820 -0.097 0.000 1.903 482 A HA -0.303 4.017 4.320 0.000 0.000 0.219 482 A C 1.859 179.299 177.584 -0.240 0.000 1.191 482 A CA 2.373 54.286 52.037 -0.206 0.000 0.638 482 A CB -1.150 17.837 19.000 -0.021 0.000 0.823 482 A HN 0.584 nan 8.150 nan 0.000 0.451 483 E N -0.959 119.155 120.200 -0.143 0.000 2.047 483 E HA -0.208 4.142 4.350 0.000 0.000 0.191 483 E C 1.823 178.319 176.600 -0.173 0.000 0.987 483 E CA 1.169 57.496 56.400 -0.123 0.000 0.799 483 E CB -0.237 29.426 29.700 -0.062 0.000 0.752 483 E HN 0.702 nan 8.360 nan 0.000 0.449 484 D N 0.042 120.320 120.400 -0.203 0.000 2.182 484 D HA -0.149 4.491 4.640 0.000 0.000 0.201 484 D C 1.805 177.906 176.300 -0.333 0.000 0.986 484 D CA 0.752 54.620 54.000 -0.220 0.000 0.847 484 D CB 0.201 40.894 40.800 -0.178 0.000 0.942 484 D HN -0.054 nan 8.370 nan 0.000 0.467 485 V N 0.601 120.198 119.914 -0.527 0.000 2.270 485 V HA -0.195 3.925 4.120 0.000 0.000 0.245 485 V C 1.787 177.711 176.094 -0.284 0.000 1.043 485 V CA 1.969 63.955 62.300 -0.523 0.000 1.014 485 V CB -0.523 30.879 31.823 -0.700 0.000 0.645 485 V HN 0.201 nan 8.190 nan 0.000 0.447 486 D N 0.041 120.304 120.400 -0.228 0.000 2.149 486 D HA -0.172 4.468 4.640 0.000 0.000 0.198 486 D C 1.905 178.139 176.300 -0.110 0.000 0.990 486 D CA 1.065 54.981 54.000 -0.140 0.000 0.839 486 D CB -0.454 40.280 40.800 -0.110 0.000 0.948 486 D HN 0.321 nan 8.370 nan 0.000 0.460 487 L N 0.780 121.932 121.223 -0.118 0.000 1.971 487 L HA -0.191 4.149 4.340 0.000 0.000 0.215 487 L C 2.256 179.082 176.870 -0.075 0.000 1.072 487 L CA 1.827 56.616 54.840 -0.084 0.000 0.758 487 L CB -0.373 41.636 42.059 -0.084 0.000 0.889 487 L HN -0.200 nan 8.230 nan 0.000 0.433 488 R N -1.073 119.367 120.500 -0.100 0.000 2.083 488 R HA -0.126 4.214 4.340 0.000 0.000 0.237 488 R C 2.158 178.424 176.300 -0.056 0.000 1.137 488 R CA 1.721 57.774 56.100 -0.078 0.000 0.951 488 R CB -0.863 29.373 30.300 -0.107 0.000 0.851 488 R HN 0.351 nan 8.270 nan 0.000 0.434 489 V N 1.385 121.254 119.914 -0.075 0.000 2.407 489 V HA -0.264 3.856 4.120 0.000 0.000 0.248 489 V C 2.124 178.207 176.094 -0.020 0.000 1.055 489 V CA 1.859 64.129 62.300 -0.049 0.000 1.049 489 V CB -0.623 31.157 31.823 -0.071 0.000 0.662 489 V HN 0.455 nan 8.190 nan 0.000 0.455 490 N N 0.034 118.717 118.700 -0.028 0.000 2.188 490 N HA -0.140 4.600 4.740 0.000 0.000 0.184 490 N C 1.866 177.381 175.510 0.010 0.000 1.018 490 N CA 1.375 54.421 53.050 -0.008 0.000 0.858 490 N CB -0.053 38.422 38.487 -0.020 0.000 0.989 490 N HN 0.419 nan 8.380 nan 0.000 0.426 491 L N 1.544 122.768 121.223 0.001 0.000 2.012 491 L HA -0.099 4.241 4.340 0.000 0.000 0.210 491 L C 2.290 179.177 176.870 0.028 0.000 1.073 491 L CA 2.055 56.901 54.840 0.010 0.000 0.748 491 L CB -1.049 41.014 42.059 0.006 0.000 0.891 491 L HN 0.116 nan 8.230 nan 0.000 0.431 492 A N -0.663 122.183 122.820 0.043 0.000 1.908 492 A HA -0.230 4.090 4.320 0.000 0.000 0.218 492 A C 2.225 179.898 177.584 0.149 0.000 1.181 492 A CA 2.217 54.304 52.037 0.083 0.000 0.627 492 A CB -0.597 18.454 19.000 0.085 0.000 0.818 492 A HN 0.529 nan 8.150 nan 0.000 0.445 493 M N -0.124 119.568 119.600 0.154 0.000 2.149 493 M HA -0.175 4.305 4.480 0.000 0.000 0.261 493 M C 1.680 178.094 176.300 0.189 0.000 1.064 493 M CA 1.577 57.033 55.300 0.261 0.000 1.102 493 M CB -1.756 30.921 32.600 0.129 0.000 1.369 493 M HN 0.582 nan 8.290 nan 0.000 0.408 494 N N -0.344 118.389 118.700 0.055 0.000 2.173 494 N HA -0.075 4.665 4.740 0.000 0.000 0.184 494 N C 1.796 177.234 175.510 -0.120 0.000 1.025 494 N CA 0.729 53.766 53.050 -0.022 0.000 0.852 494 N CB 0.122 38.600 38.487 -0.015 0.000 0.998 494 N HN 0.031 nan 8.380 nan 0.000 0.427 495 V N 1.094 120.940 119.914 -0.114 0.000 2.252 495 V HA -0.239 3.881 4.120 0.000 0.000 0.249 495 V C 2.437 178.239 176.094 -0.486 0.000 1.056 495 V CA 2.238 64.408 62.300 -0.217 0.000 1.022 495 V CB -1.287 30.461 31.823 -0.125 0.000 0.641 495 V HN 0.452 nan 8.190 nan 0.000 0.445 496 G N -0.532 107.957 108.800 -0.519 0.000 2.446 496 G HA2 -0.262 3.698 3.960 0.000 0.000 0.217 496 G HA3 -0.262 3.698 3.960 0.000 0.000 0.217 496 G C 1.657 175.853 174.900 -1.173 0.000 1.168 496 G CA 0.959 45.393 45.100 -1.111 0.000 0.771 496 G HN 0.467 nan 8.290 nan 0.000 0.551 497 K N 0.546 120.508 120.400 -0.729 0.000 2.057 497 K HA -0.021 4.299 4.320 0.000 0.000 0.207 497 K C 2.979 179.379 176.600 -0.334 0.000 1.049 497 K CA 1.077 57.130 56.287 -0.390 0.000 0.931 497 K CB -0.260 32.173 32.500 -0.112 0.000 0.714 497 K HN 0.287 nan 8.250 nan 0.000 0.440 498 A N 1.397 124.022 122.820 -0.324 0.000 1.855 498 A HA -0.142 4.178 4.320 0.000 0.000 0.215 498 A C 2.026 179.403 177.584 -0.346 0.000 1.191 498 A CA 1.328 53.207 52.037 -0.263 0.000 0.613 498 A CB -0.329 18.547 19.000 -0.207 0.000 0.829 498 A HN 0.099 nan 8.150 nan 0.000 0.442 499 R N -0.886 119.267 120.500 -0.579 0.000 2.357 499 R HA 0.120 4.460 4.340 0.000 0.000 0.202 499 R C 1.273 177.201 176.300 -0.619 0.000 1.047 499 R CA 0.718 56.365 56.100 -0.755 0.000 1.034 499 R CB -0.790 28.596 30.300 -1.523 0.000 0.875 499 R HN 0.911 nan 8.270 nan 0.000 0.473 500 G N -0.840 107.688 108.800 -0.453 0.000 2.147 500 G HA2 -0.263 3.697 3.960 0.000 0.000 0.244 500 G HA3 -0.263 3.697 3.960 0.000 0.000 0.244 500 G C 0.460 175.352 174.900 -0.013 0.000 1.005 500 G CA 0.220 45.206 45.100 -0.190 0.000 0.713 500 G HN 0.274 nan 8.290 nan 0.000 0.515 501 F N -0.342 119.383 119.950 -0.376 0.000 2.416 501 F HA 0.406 4.933 4.527 0.000 0.000 0.296 501 F C 1.266 176.994 175.800 -0.120 0.000 1.099 501 F CA 0.359 58.178 58.000 -0.301 0.000 1.427 501 F CB -0.480 38.256 39.000 -0.440 0.000 1.079 501 F HN 0.462 nan 8.300 nan 0.000 0.536 502 F N -1.717 118.306 119.950 0.122 0.000 2.769 502 F HA 0.547 5.074 4.527 0.000 0.000 0.313 502 F C -1.155 174.655 175.800 0.017 0.000 1.146 502 F CA -2.445 55.589 58.000 0.056 0.000 0.934 502 F CB 0.636 39.665 39.000 0.047 0.000 1.283 502 F HN -0.224 nan 8.300 nan 0.000 0.443 503 K N 0.249 120.836 120.400 0.312 0.000 2.313 503 K HA 0.513 4.833 4.320 0.000 0.000 0.235 503 K C -0.960 175.748 176.600 0.181 0.000 1.035 503 K CA -1.218 55.186 56.287 0.196 0.000 0.868 503 K CB 1.066 33.620 32.500 0.091 0.000 1.232 503 K HN 0.812 nan 8.250 nan 0.000 0.459 504 K N 0.016 120.485 120.400 0.114 0.000 2.530 504 K HA 0.069 4.390 4.320 0.000 0.000 0.280 504 K C 0.552 177.175 176.600 0.039 0.000 1.004 504 K CA 1.725 58.052 56.287 0.067 0.000 1.071 504 K CB -0.517 32.008 32.500 0.042 0.000 0.876 504 K HN 0.822 nan 8.250 nan 0.000 0.487 505 G N 3.252 112.058 108.800 0.009 0.000 2.397 505 G HA2 -0.232 3.728 3.960 0.000 0.000 0.211 505 G HA3 -0.232 3.728 3.960 0.000 0.000 0.211 505 G C -0.436 174.449 174.900 -0.025 0.000 1.077 505 G CA 0.069 45.166 45.100 -0.006 0.000 0.649 505 G HN 0.736 nan 8.290 nan 0.000 0.511 506 D N 1.021 121.411 120.400 -0.018 0.000 2.443 506 D HA 0.406 5.046 4.640 0.000 0.000 0.234 506 D C 0.857 177.086 176.300 -0.119 0.000 1.172 506 D CA 0.173 54.145 54.000 -0.046 0.000 0.878 506 D CB 1.139 41.934 40.800 -0.008 0.000 1.204 506 D HN 0.361 nan 8.370 nan 0.000 0.453 507 V N 1.395 121.244 119.914 -0.109 0.000 2.644 507 V HA 0.483 4.603 4.120 0.000 0.000 0.295 507 V C 0.392 176.374 176.094 -0.187 0.000 1.053 507 V CA -0.435 61.789 62.300 -0.127 0.000 0.987 507 V CB 1.765 33.539 31.823 -0.082 0.000 1.006 507 V HN 0.258 nan 8.190 nan 0.000 0.472 508 V N 4.516 124.313 119.914 -0.196 0.000 2.969 508 V HA 0.456 4.576 4.120 0.000 0.000 0.304 508 V C -0.950 175.057 176.094 -0.144 0.000 1.192 508 V CA -0.529 61.639 62.300 -0.221 0.000 0.962 508 V CB 2.238 33.833 31.823 -0.380 0.000 1.045 508 V HN 0.671 nan 8.190 nan 0.000 0.428 509 I N 3.993 124.496 120.570 -0.113 0.000 2.396 509 I HA 0.522 4.692 4.170 0.000 0.000 0.292 509 I C -0.259 175.820 176.117 -0.064 0.000 0.999 509 I CA -0.032 61.221 61.300 -0.080 0.000 1.310 509 I CB 1.762 39.718 38.000 -0.073 0.000 1.404 509 I HN 0.301 nan 8.210 nan 0.000 0.496 510 V N 7.431 127.316 119.914 -0.049 0.000 2.483 510 V HA 0.442 4.562 4.120 0.000 0.000 0.297 510 V C -0.324 175.762 176.094 -0.014 0.000 1.027 510 V CA -0.675 61.604 62.300 -0.035 0.000 0.855 510 V CB 1.623 33.418 31.823 -0.046 0.000 0.995 510 V HN 0.403 nan 8.190 nan 0.000 0.424 511 L N 5.495 126.717 121.223 -0.002 0.000 2.305 511 L HA 0.769 5.109 4.340 0.000 0.000 0.284 511 L C 0.342 177.223 176.870 0.018 0.000 1.013 511 L CA -0.046 54.806 54.840 0.020 0.000 0.819 511 L CB 1.956 44.037 42.059 0.036 0.000 1.227 511 L HN 0.884 nan 8.230 nan 0.000 0.417 512 T N -0.429 114.144 114.554 0.031 0.000 2.864 512 T HA 0.713 5.063 4.350 0.000 0.000 0.289 512 T C 0.149 174.900 174.700 0.085 0.000 1.082 512 T CA -0.534 61.592 62.100 0.044 0.000 1.009 512 T CB 1.782 70.663 68.868 0.022 0.000 1.234 512 T HN 0.498 nan 8.240 nan 0.000 0.526 513 G N -0.989 107.904 108.800 0.155 0.000 2.563 513 G HA2 0.448 4.408 3.960 0.000 0.000 0.283 513 G HA3 0.448 4.408 3.960 0.000 0.000 0.283 513 G C 0.132 175.140 174.900 0.180 0.000 1.309 513 G CA -0.422 44.691 45.100 0.023 0.000 1.022 513 G HN 1.031 nan 8.290 nan 0.000 0.501 514 W N -0.905 120.347 121.300 -0.079 0.000 2.735 514 W HA 0.402 5.062 4.660 0.000 0.000 0.264 514 W C 0.798 177.107 176.519 -0.349 0.000 1.233 514 W CA -0.065 57.221 57.345 -0.098 0.000 1.408 514 W CB 0.228 29.592 29.460 -0.159 0.000 1.038 514 W HN 0.608 nan 8.180 nan 0.000 0.603 515 R N 1.471 121.226 120.500 -1.241 0.000 2.774 515 R HA 0.477 4.817 4.340 0.000 0.000 0.272 515 R C -2.873 172.327 176.300 -1.833 0.000 1.000 515 R CA -2.105 53.144 56.100 -1.419 0.000 0.906 515 R CB 1.566 31.446 30.300 -0.700 0.000 1.227 515 R HN -0.341 nan 8.270 nan 0.000 0.468 516 P HA 0.007 nan 4.420 nan 0.000 0.264 516 P C 0.217 177.159 177.300 -0.597 0.000 1.183 516 P CA 1.555 64.055 63.100 -1.001 0.000 0.763 516 P CB 0.611 32.111 31.700 -0.335 0.000 0.807 517 G N 1.996 110.572 108.800 -0.374 0.000 2.198 517 G HA2 -0.226 3.734 3.960 0.000 0.000 0.257 517 G HA3 -0.226 3.734 3.960 0.000 0.000 0.257 517 G C 0.325 174.979 174.900 -0.410 0.000 1.042 517 G CA 0.030 44.963 45.100 -0.278 0.000 0.791 517 G HN 0.605 nan 8.290 nan 0.000 0.502 518 S N -0.948 114.346 115.700 -0.677 0.000 2.580 518 S HA 0.430 4.900 4.470 0.000 0.000 0.266 518 S C 1.914 176.230 174.600 -0.474 0.000 1.354 518 S CA 0.356 57.913 58.200 -1.072 0.000 1.008 518 S CB 1.160 63.378 63.200 -1.635 0.000 0.898 518 S HN 1.141 nan 8.310 nan 0.000 0.555 519 G N -0.043 108.625 108.800 -0.221 0.000 2.430 519 G HA2 0.244 4.204 3.960 0.000 0.000 0.216 519 G HA3 0.244 4.204 3.960 0.000 0.000 0.216 519 G C 0.047 175.160 174.900 0.355 0.000 1.146 519 G CA 0.619 45.857 45.100 0.230 0.000 0.793 519 G HN 0.636 nan 8.290 nan 0.000 0.537 520 F N -1.835 118.170 119.950 0.091 0.000 2.713 520 F HA 0.518 5.045 4.527 0.000 0.000 0.311 520 F C -0.367 175.514 175.800 0.136 0.000 1.141 520 F CA -1.438 56.624 58.000 0.103 0.000 0.939 520 F CB 0.513 39.600 39.000 0.146 0.000 1.325 520 F HN -0.050 nan 8.300 nan 0.000 0.453 521 T N 0.437 115.040 114.554 0.083 0.000 2.848 521 T HA 0.135 4.485 4.350 0.000 0.000 0.283 521 T C 0.571 175.282 174.700 0.017 0.000 0.919 521 T CA -0.168 61.936 62.100 0.006 0.000 1.071 521 T CB -0.453 68.456 68.868 0.068 0.000 0.912 521 T HN 0.800 nan 8.240 nan 0.000 0.570 522 N N 2.204 120.791 118.700 -0.189 0.000 2.398 522 N HA -0.027 4.713 4.740 0.000 0.000 0.188 522 N C -0.466 175.084 175.510 0.067 0.000 1.122 522 N CA -0.332 52.671 53.050 -0.078 0.000 0.866 522 N CB 0.314 38.638 38.487 -0.272 0.000 0.970 522 N HN 0.488 nan 8.380 nan 0.000 0.462 523 T N 1.585 116.183 114.554 0.073 0.000 2.792 523 T HA 0.421 4.771 4.350 0.000 0.000 0.280 523 T C -0.564 174.168 174.700 0.055 0.000 0.990 523 T CA -0.652 61.492 62.100 0.073 0.000 0.960 523 T CB 2.089 71.014 68.868 0.094 0.000 0.939 523 T HN 0.110 nan 8.240 nan 0.000 0.439 524 M N 4.362 123.987 119.600 0.041 0.000 2.393 524 M HA 0.624 5.104 4.480 0.000 0.000 0.299 524 M C -1.608 174.695 176.300 0.005 0.000 1.103 524 M CA -0.676 54.637 55.300 0.021 0.000 0.910 524 M CB 1.980 34.593 32.600 0.021 0.000 1.659 524 M HN 0.807 nan 8.290 nan 0.000 0.445 525 R N 2.948 123.442 120.500 -0.010 0.000 2.604 525 R HA 0.626 4.966 4.340 0.000 0.000 0.270 525 R C -2.006 174.272 176.300 -0.037 0.000 1.052 525 R CA -0.966 55.122 56.100 -0.020 0.000 0.902 525 R CB 1.349 31.639 30.300 -0.016 0.000 1.233 525 R HN 0.438 nan 8.270 nan 0.000 0.455 526 V N 2.572 122.462 119.914 -0.040 0.000 2.488 526 V HA 0.357 4.477 4.120 0.000 0.000 0.277 526 V C -0.010 176.050 176.094 -0.058 0.000 1.046 526 V CA -0.282 61.986 62.300 -0.054 0.000 0.986 526 V CB 1.205 32.999 31.823 -0.049 0.000 0.989 526 V HN 0.538 nan 8.190 nan 0.000 0.475 527 V N 6.569 126.436 119.914 -0.078 0.000 3.007 527 V HA 0.562 4.682 4.120 0.000 0.000 0.311 527 V C -2.481 173.550 176.094 -0.104 0.000 1.120 527 V CA -1.677 60.575 62.300 -0.080 0.000 0.980 527 V CB 2.778 34.553 31.823 -0.080 0.000 1.033 527 V HN 0.726 nan 8.190 nan 0.000 0.429 528 P HA 0.363 nan 4.420 nan 0.000 0.284 528 P C -0.811 176.423 177.300 -0.111 0.000 1.258 528 P CA -0.399 62.645 63.100 -0.094 0.000 0.824 528 P CB 1.772 33.437 31.700 -0.059 0.000 1.038 529 V N 5.152 124.985 119.914 -0.134 0.000 2.470 529 V HA 0.111 4.232 4.120 0.000 0.000 0.276 529 V C -1.223 174.855 176.094 -0.027 0.000 1.040 529 V CA -1.122 61.107 62.300 -0.118 0.000 1.008 529 V CB 0.156 31.899 31.823 -0.133 0.000 0.990 529 V HN 0.640 nan 8.190 nan 0.000 0.477 530 P HA 0.000 nan 4.420 nan 0.000 0.216 530 P CA 0.000 63.102 63.100 0.004 0.000 0.800 530 P CB 0.000 31.701 31.700 0.002 0.000 0.726