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 1f3x_1_F 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 PHSTDLMEAM 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 -0.019 0.000 1.063 12 I CA 0.000 61.285 61.300 -0.025 0.000 1.566 12 I CB 0.000 37.989 38.000 -0.018 0.000 1.214 13 Q N 1.271 121.066 119.800 -0.009 0.000 3.243 13 Q HA -0.128 4.212 4.340 -0.000 0.000 0.024 13 Q C -0.593 175.420 176.000 0.023 0.000 1.715 13 Q CA 1.339 57.150 55.803 0.013 0.000 0.236 13 Q CB -0.786 27.964 28.738 0.021 0.000 0.647 13 Q HN 0.763 nan 8.270 nan 0.000 0.322 14 T N -0.797 113.779 114.554 0.035 0.000 2.909 14 T HA 0.500 4.850 4.350 -0.000 0.000 0.299 14 T C -0.148 174.581 174.700 0.047 0.000 1.073 14 T CA 0.501 62.622 62.100 0.036 0.000 0.999 14 T CB 1.164 70.052 68.868 0.032 0.000 1.098 14 T HN 0.778 nan 8.240 nan 0.000 0.477 15 Q N 3.291 123.118 119.800 0.045 0.000 2.423 15 Q HA -0.277 4.063 4.340 -0.000 0.000 0.332 15 Q C -0.206 175.843 176.000 0.082 0.000 1.355 15 Q CA 1.096 56.934 55.803 0.058 0.000 0.947 15 Q CB -1.918 26.854 28.738 0.056 0.000 1.189 15 Q HN 0.838 nan 8.270 nan 0.000 0.418 16 Q N -1.959 117.884 119.800 0.072 0.000 2.461 16 Q HA -0.221 4.119 4.340 -0.000 0.000 0.273 16 Q C 0.780 176.849 176.000 0.115 0.000 1.163 16 Q CA 1.603 57.456 55.803 0.083 0.000 0.929 16 Q CB -2.128 26.657 28.738 0.077 0.000 1.334 16 Q HN 0.807 nan 8.270 nan 0.000 0.499 17 L N -1.187 120.102 121.223 0.109 0.000 2.201 17 L HA -0.180 4.160 4.340 -0.000 0.000 0.212 17 L C 2.283 179.230 176.870 0.128 0.000 1.105 17 L CA 1.579 56.484 54.840 0.108 0.000 0.775 17 L CB -0.364 41.744 42.059 0.082 0.000 0.913 17 L HN 0.358 nan 8.230 nan 0.000 0.440 18 H N 0.368 119.459 119.070 0.035 0.000 2.357 18 H HA -0.071 4.485 4.556 -0.000 0.000 0.301 18 H C 2.095 177.444 175.328 0.035 0.000 1.082 18 H CA 1.452 57.515 56.048 0.024 0.000 1.342 18 H CB 0.116 29.882 29.762 0.006 0.000 1.389 18 H HN 0.215 nan 8.280 nan 0.000 0.511 19 A N 0.387 123.176 122.820 -0.051 0.000 2.119 19 A HA 0.153 4.473 4.320 -0.000 0.000 0.217 19 A C 2.406 180.054 177.584 0.106 0.000 1.153 19 A CA 1.060 53.041 52.037 -0.095 0.000 0.692 19 A CB -0.903 18.015 19.000 -0.138 0.000 0.799 19 A HN 0.594 nan 8.150 nan 0.000 0.458 20 A N -1.093 121.799 122.820 0.121 0.000 2.119 20 A HA 0.086 4.406 4.320 -0.000 0.000 0.216 20 A C 1.862 179.519 177.584 0.121 0.000 1.152 20 A CA 1.130 53.263 52.037 0.160 0.000 0.708 20 A CB -0.305 18.783 19.000 0.145 0.000 0.805 20 A HN 0.397 nan 8.150 nan 0.000 0.460 21 M N -0.093 119.531 119.600 0.040 0.000 2.595 21 M HA 0.205 4.685 4.480 -0.000 0.000 0.248 21 M C 1.182 177.493 176.300 0.020 0.000 1.119 21 M CA 0.054 55.364 55.300 0.017 0.000 1.079 21 M CB -1.440 31.159 32.600 -0.001 0.000 1.472 21 M HN 0.388 nan 8.290 nan 0.000 0.501 22 A N 1.939 124.765 122.820 0.011 0.000 2.448 22 A HA 0.136 4.456 4.320 -0.000 0.000 0.239 22 A C 0.813 178.494 177.584 0.161 0.000 1.080 22 A CA 0.276 52.311 52.037 -0.003 0.000 0.779 22 A CB 0.122 19.036 19.000 -0.143 0.000 1.026 22 A HN 0.490 nan 8.150 nan 0.000 0.499 23 D N -0.800 119.674 120.400 0.122 0.000 2.389 23 D HA 0.089 4.729 4.640 -0.000 0.000 0.206 23 D C 0.536 176.972 176.300 0.227 0.000 1.055 23 D CA 0.953 55.047 54.000 0.155 0.000 0.856 23 D CB -0.287 40.560 40.800 0.078 0.000 0.957 23 D HN 0.564 nan 8.370 nan 0.000 0.509 24 T N -3.750 110.922 114.554 0.195 0.000 2.906 24 T HA 0.437 4.787 4.350 -0.000 0.000 0.295 24 T C 0.365 175.133 174.700 0.113 0.000 1.075 24 T CA -0.804 61.438 62.100 0.236 0.000 1.005 24 T CB 0.983 69.944 68.868 0.154 0.000 1.136 24 T HN -0.238 nan 8.240 nan 0.000 0.498 25 F N 0.339 120.341 119.950 0.086 0.000 2.186 25 F HA 0.072 4.599 4.527 -0.000 0.000 0.299 25 F C 2.186 177.939 175.800 -0.079 0.000 1.090 25 F CA 0.737 58.714 58.000 -0.038 0.000 1.307 25 F CB -0.516 38.530 39.000 0.076 0.000 1.019 25 F HN 0.478 nan 8.300 nan 0.000 0.489 26 L N 0.433 121.748 121.223 0.154 0.000 2.042 26 L HA -0.202 4.138 4.340 -0.000 0.000 0.210 26 L C 2.252 179.108 176.870 -0.022 0.000 1.076 26 L CA 1.964 56.837 54.840 0.053 0.000 0.749 26 L CB -0.882 41.208 42.059 0.051 0.000 0.893 26 L HN 0.116 nan 8.230 nan 0.000 0.432 27 E N -1.440 118.737 120.200 -0.039 0.000 2.072 27 E HA -0.261 4.089 4.350 -0.000 0.000 0.190 27 E C 2.263 178.761 176.600 -0.168 0.000 0.982 27 E CA 1.357 57.707 56.400 -0.084 0.000 0.803 27 E CB -0.322 29.341 29.700 -0.062 0.000 0.755 27 E HN 0.683 nan 8.360 nan 0.000 0.453 28 H N -0.001 118.821 119.070 -0.413 0.000 2.319 28 H HA -0.129 4.427 4.556 -0.000 0.000 0.297 28 H C 1.939 177.043 175.328 -0.373 0.000 1.097 28 H CA 2.524 58.199 56.048 -0.622 0.000 1.285 28 H CB -0.262 28.697 29.762 -1.338 0.000 1.368 28 H HN 0.200 nan 8.280 nan 0.000 0.495 29 M N -0.915 118.458 119.600 -0.379 0.000 2.067 29 M HA -0.200 4.280 4.480 -0.000 0.000 0.260 29 M C 2.509 178.675 176.300 -0.224 0.000 1.069 29 M CA 1.766 56.878 55.300 -0.313 0.000 1.117 29 M CB -0.303 32.216 32.600 -0.136 0.000 1.334 29 M HN 0.390 nan 8.290 nan 0.000 0.407 30 C N 0.018 119.229 119.300 -0.148 0.000 2.399 30 C HA -0.124 4.336 4.460 -0.000 0.000 0.296 30 C C 2.319 177.254 174.990 -0.091 0.000 1.415 30 C CA 0.831 59.792 59.018 -0.095 0.000 1.798 30 C CB -1.635 26.068 27.740 -0.061 0.000 1.802 30 C HN 0.445 nan 8.230 nan 0.000 0.549 31 R N -0.423 119.990 120.500 -0.146 0.000 2.362 31 R HA 0.253 4.593 4.340 -0.000 0.000 0.227 31 R C 0.100 176.348 176.300 -0.087 0.000 0.905 31 R CA -0.189 55.857 56.100 -0.091 0.000 1.067 31 R CB 0.048 30.237 30.300 -0.186 0.000 1.078 31 R HN 0.461 nan 8.270 nan 0.000 0.516 32 L N 2.278 123.397 121.223 -0.173 0.000 2.513 32 L HA 0.002 4.341 4.340 -0.000 0.000 0.272 32 L C -0.032 176.799 176.870 -0.065 0.000 1.187 32 L CA 0.358 55.108 54.840 -0.150 0.000 0.895 32 L CB 0.102 42.047 42.059 -0.190 0.000 1.147 32 L HN -0.073 nan 8.230 nan 0.000 0.483 33 D N 3.653 124.035 120.400 -0.030 0.000 2.408 33 D HA 0.213 4.853 4.640 -0.000 0.000 0.243 33 D C 0.790 177.083 176.300 -0.013 0.000 1.075 33 D CA -0.565 53.428 54.000 -0.011 0.000 0.832 33 D CB 1.637 42.444 40.800 0.012 0.000 1.162 33 D HN 0.470 nan 8.370 nan 0.000 0.515 34 I N -0.236 120.325 120.570 -0.015 0.000 3.334 34 I HA 0.099 4.269 4.170 -0.000 0.000 0.282 34 I C 0.032 176.146 176.117 -0.006 0.000 1.313 34 I CA 0.594 61.887 61.300 -0.012 0.000 1.396 34 I CB 0.214 38.206 38.000 -0.014 0.000 1.054 34 I HN 0.022 nan 8.210 nan 0.000 0.495 35 D N 1.206 121.603 120.400 -0.005 0.000 2.501 35 D HA 0.128 4.768 4.640 -0.000 0.000 0.226 35 D C 0.217 176.519 176.300 0.002 0.000 1.198 35 D CA 0.243 54.242 54.000 -0.002 0.000 0.830 35 D CB 0.787 41.584 40.800 -0.006 0.000 1.014 35 D HN 0.191 nan 8.370 nan 0.000 0.496 36 S N 0.918 116.622 115.700 0.007 0.000 2.512 36 S HA 0.500 4.970 4.470 -0.000 0.000 0.291 36 S C 0.089 174.700 174.600 0.018 0.000 1.151 36 S CA -0.570 57.640 58.200 0.016 0.000 1.120 36 S CB 0.156 63.371 63.200 0.026 0.000 1.029 36 S HN 0.216 nan 8.310 nan 0.000 0.485 37 A N 7.385 130.216 122.820 0.017 0.000 2.545 37 A HA 0.385 4.705 4.320 -0.000 0.000 0.253 37 A C -1.794 175.804 177.584 0.023 0.000 1.074 37 A CA -0.767 51.282 52.037 0.019 0.000 0.760 37 A CB -0.255 18.757 19.000 0.020 0.000 1.005 37 A HN 0.663 nan 8.150 nan 0.000 0.506 38 P HA 0.261 nan 4.420 nan 0.000 0.274 38 P C 0.106 177.419 177.300 0.021 0.000 1.260 38 P CA -0.199 62.913 63.100 0.020 0.000 0.793 38 P CB 0.427 32.130 31.700 0.005 0.000 1.048 39 I N -3.400 117.180 120.570 0.016 0.000 2.934 39 I HA 0.246 4.416 4.170 -0.000 0.000 0.315 39 I C 1.190 177.321 176.117 0.022 0.000 0.997 39 I CA -0.612 60.698 61.300 0.016 0.000 1.184 39 I CB 0.179 38.175 38.000 -0.007 0.000 1.400 39 I HN 0.143 nan 8.210 nan 0.000 0.549 40 T N 2.524 117.112 114.554 0.056 0.000 2.708 40 T HA -0.035 4.315 4.350 -0.000 0.000 0.266 40 T C 1.121 175.899 174.700 0.130 0.000 1.037 40 T CA 1.422 63.598 62.100 0.126 0.000 1.146 40 T CB -0.347 68.644 68.868 0.205 0.000 0.865 40 T HN 0.780 nan 8.240 nan 0.000 0.435 41 A N 1.605 124.386 122.820 -0.065 0.000 2.483 41 A HA 0.411 4.731 4.320 -0.000 0.000 0.238 41 A C 0.476 178.021 177.584 -0.065 0.000 1.070 41 A CA -0.097 51.780 52.037 -0.268 0.000 0.770 41 A CB 0.085 18.467 19.000 -1.031 0.000 1.008 41 A HN 0.404 nan 8.150 nan 0.000 0.497 42 R N 1.430 121.966 120.500 0.061 0.000 2.534 42 R HA 0.303 4.643 4.340 -0.000 0.000 0.301 42 R C -0.502 175.859 176.300 0.103 0.000 0.961 42 R CA -0.685 55.454 56.100 0.066 0.000 0.871 42 R CB 0.761 31.137 30.300 0.126 0.000 1.170 42 R HN 0.879 nan 8.270 nan 0.000 0.446 43 N N 1.199 119.943 118.700 0.073 0.000 2.282 43 N HA 0.015 4.755 4.740 -0.000 0.000 0.185 43 N C -0.572 175.007 175.510 0.114 0.000 1.099 43 N CA 0.391 53.502 53.050 0.102 0.000 0.878 43 N CB 0.905 39.444 38.487 0.087 0.000 0.993 43 N HN 0.445 nan 8.380 nan 0.000 0.481 44 T N 0.956 115.565 114.554 0.093 0.000 2.728 44 T HA 0.355 4.705 4.350 -0.000 0.000 0.296 44 T C 0.786 175.541 174.700 0.091 0.000 0.940 44 T CA -0.596 61.553 62.100 0.081 0.000 1.013 44 T CB 1.272 70.172 68.868 0.054 0.000 0.912 44 T HN 0.085 nan 8.240 nan 0.000 0.484 45 G N 3.017 111.873 108.800 0.093 0.000 2.380 45 G HA2 0.404 4.363 3.960 -0.000 0.000 0.242 45 G HA3 0.404 4.363 3.960 -0.000 0.000 0.242 45 G C -0.244 174.683 174.900 0.045 0.000 1.298 45 G CA -0.462 44.689 45.100 0.085 0.000 0.878 45 G HN 0.780 nan 8.290 nan 0.000 0.542 46 I N 2.539 123.122 120.570 0.022 0.000 2.330 46 I HA 0.259 4.429 4.170 -0.000 0.000 0.289 46 I C -0.099 176.018 176.117 -0.001 0.000 1.001 46 I CA -0.420 60.891 61.300 0.018 0.000 1.193 46 I CB 1.502 39.522 38.000 0.033 0.000 1.345 46 I HN 0.225 nan 8.210 nan 0.000 0.461 47 I N 5.952 126.537 120.570 0.024 0.000 2.312 47 I HA 0.280 4.450 4.170 -0.000 0.000 0.290 47 I C -0.403 175.750 176.117 0.060 0.000 1.008 47 I CA -0.338 60.994 61.300 0.053 0.000 1.226 47 I CB 1.141 39.202 38.000 0.102 0.000 1.371 47 I HN 0.527 nan 8.210 nan 0.000 0.468 48 C N 4.302 123.633 119.300 0.052 0.000 2.319 48 C HA 0.380 4.839 4.460 -0.000 0.000 0.335 48 C C 0.814 175.852 174.990 0.080 0.000 1.274 48 C CA -0.458 58.595 59.018 0.058 0.000 1.806 48 C CB 0.898 28.661 27.740 0.039 0.000 2.329 48 C HN 0.652 nan 8.230 nan 0.000 0.524 49 T N 5.265 119.874 114.554 0.092 0.000 2.761 49 T HA 0.300 4.650 4.350 -0.000 0.000 0.296 49 T C 0.257 175.020 174.700 0.104 0.000 0.934 49 T CA -0.051 62.117 62.100 0.113 0.000 1.091 49 T CB 0.022 68.963 68.868 0.121 0.000 0.896 49 T HN 0.350 nan 8.240 nan 0.000 0.515 50 I N 3.443 124.081 120.570 0.114 0.000 2.396 50 I HA 0.595 4.765 4.170 -0.000 0.000 0.292 50 I C 0.947 177.147 176.117 0.138 0.000 0.999 50 I CA -0.038 61.325 61.300 0.105 0.000 1.310 50 I CB 0.801 38.853 38.000 0.086 0.000 1.404 50 I HN 0.776 nan 8.210 nan 0.000 0.496 51 G N 6.808 115.678 108.800 0.117 0.000 2.782 51 G HA2 0.488 4.447 3.960 -0.000 0.000 0.304 51 G HA3 0.488 4.447 3.960 -0.000 0.000 0.304 51 G C -2.412 172.557 174.900 0.116 0.000 1.315 51 G CA -0.410 44.778 45.100 0.145 0.000 0.791 51 G HN 0.300 nan 8.290 nan 0.000 0.519 52 P HA -0.123 nan 4.420 nan 0.000 0.218 52 P C 1.625 178.953 177.300 0.045 0.000 1.146 52 P CA 1.933 65.085 63.100 0.087 0.000 0.813 52 P CB 0.107 31.844 31.700 0.063 0.000 0.778 53 A N 0.075 122.917 122.820 0.038 0.000 2.168 53 A HA 0.022 4.342 4.320 -0.000 0.000 0.215 53 A C 1.637 179.233 177.584 0.020 0.000 1.152 53 A CA 1.436 53.484 52.037 0.017 0.000 0.716 53 A CB -0.636 18.372 19.000 0.013 0.000 0.794 53 A HN 0.393 nan 8.150 nan 0.000 0.465 54 S N -2.392 113.328 115.700 0.033 0.000 3.078 54 S HA 0.263 4.733 4.470 -0.000 0.000 0.248 54 S C 0.703 175.319 174.600 0.026 0.000 0.857 54 S CA -0.458 57.761 58.200 0.030 0.000 1.139 54 S CB -0.227 62.996 63.200 0.037 0.000 1.186 54 S HN 0.480 nan 8.310 nan 0.000 0.567 55 R N 2.039 122.550 120.500 0.019 0.000 2.200 55 R HA 0.134 4.474 4.340 -0.000 0.000 0.208 55 R C 0.697 176.991 176.300 -0.009 0.000 1.033 55 R CA 0.803 56.898 56.100 -0.007 0.000 1.000 55 R CB -0.020 30.257 30.300 -0.039 0.000 0.906 55 R HN 0.600 nan 8.270 nan 0.000 0.462 56 S N 0.248 115.949 115.700 0.001 0.000 2.533 56 S HA 0.033 4.503 4.470 -0.000 0.000 0.282 56 S C 1.543 176.148 174.600 0.008 0.000 1.304 56 S CA -0.698 57.503 58.200 0.001 0.000 1.063 56 S CB 1.603 64.805 63.200 0.004 0.000 0.881 56 S HN -0.111 nan 8.310 nan 0.000 0.493 57 V N 2.467 122.384 119.914 0.004 0.000 2.317 57 V HA -0.190 3.930 4.120 -0.000 0.000 0.251 57 V C 2.759 178.864 176.094 0.018 0.000 1.065 57 V CA 2.452 64.759 62.300 0.011 0.000 1.049 57 V CB -1.100 30.722 31.823 -0.001 0.000 0.651 57 V HN 0.917 nan 8.190 nan 0.000 0.450 58 E N -0.015 120.191 120.200 0.011 0.000 2.110 58 E HA -0.148 4.202 4.350 -0.000 0.000 0.193 58 E C 2.316 178.935 176.600 0.031 0.000 0.988 58 E CA 1.726 58.135 56.400 0.015 0.000 0.804 58 E CB -0.438 29.266 29.700 0.007 0.000 0.745 58 E HN 0.640 nan 8.360 nan 0.000 0.458 59 T N 0.917 115.488 114.554 0.027 0.000 2.812 59 T HA -0.050 4.300 4.350 -0.000 0.000 0.264 59 T C 1.596 176.324 174.700 0.046 0.000 1.042 59 T CA 0.427 62.547 62.100 0.032 0.000 1.140 59 T CB -0.059 68.823 68.868 0.023 0.000 0.870 59 T HN 0.047 nan 8.240 nan 0.000 0.445 60 L N 1.545 122.796 121.223 0.048 0.000 1.990 60 L HA -0.106 4.234 4.340 -0.000 0.000 0.213 60 L C 2.374 179.305 176.870 0.101 0.000 1.072 60 L CA 1.902 56.779 54.840 0.062 0.000 0.755 60 L CB -1.132 40.962 42.059 0.060 0.000 0.889 60 L HN 0.315 nan 8.230 nan 0.000 0.432 61 K N -0.506 119.973 120.400 0.132 0.000 2.089 61 K HA -0.218 4.102 4.320 -0.000 0.000 0.210 61 K C 1.900 178.626 176.600 0.209 0.000 1.048 61 K CA 1.407 57.841 56.287 0.245 0.000 0.926 61 K CB -0.035 32.560 32.500 0.159 0.000 0.714 61 K HN 0.297 nan 8.250 nan 0.000 0.448 62 E N 0.105 120.375 120.200 0.116 0.000 2.152 62 E HA -0.067 4.283 4.350 -0.000 0.000 0.192 62 E C 1.989 178.614 176.600 0.042 0.000 0.983 62 E CA 0.728 57.174 56.400 0.077 0.000 0.818 62 E CB -0.020 29.714 29.700 0.057 0.000 0.758 62 E HN 0.291 nan 8.360 nan 0.000 0.467 63 M N 0.235 119.859 119.600 0.041 0.000 2.108 63 M HA -0.119 4.361 4.480 -0.000 0.000 0.261 63 M C 2.402 178.691 176.300 -0.018 0.000 1.066 63 M CA 1.193 56.503 55.300 0.017 0.000 1.107 63 M CB -0.791 31.822 32.600 0.023 0.000 1.356 63 M HN 0.092 nan 8.290 nan 0.000 0.406 64 I N -0.041 120.517 120.570 -0.021 0.000 2.202 64 I HA -0.304 3.865 4.170 -0.000 0.000 0.242 64 I C 2.296 178.315 176.117 -0.163 0.000 1.091 64 I CA 1.205 62.439 61.300 -0.110 0.000 1.368 64 I CB -0.463 37.446 38.000 -0.151 0.000 1.058 64 I HN 0.306 nan 8.210 nan 0.000 0.410 65 K N 0.436 120.760 120.400 -0.127 0.000 2.209 65 K HA -0.092 4.227 4.320 -0.000 0.000 0.204 65 K C 2.112 178.645 176.600 -0.111 0.000 1.048 65 K CA 1.298 57.509 56.287 -0.127 0.000 0.940 65 K CB -0.193 32.288 32.500 -0.032 0.000 0.729 65 K HN 0.183 nan 8.250 nan 0.000 0.451 66 S N -0.722 114.928 115.700 -0.082 0.000 2.496 66 S HA 0.042 4.512 4.470 -0.000 0.000 0.224 66 S C 1.293 175.811 174.600 -0.137 0.000 0.996 66 S CA 0.885 59.031 58.200 -0.090 0.000 0.927 66 S CB 0.555 63.738 63.200 -0.029 0.000 0.774 66 S HN 0.647 nan 8.310 nan 0.000 0.524 67 G N 0.634 109.361 108.800 -0.121 0.000 2.672 67 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.197 67 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.197 67 G C 0.137 174.998 174.900 -0.064 0.000 0.995 67 G CA -0.258 44.785 45.100 -0.094 0.000 0.754 67 G HN 0.364 nan 8.290 nan 0.000 0.505 68 M N 1.331 120.888 119.600 -0.072 0.000 2.251 68 M HA 0.243 4.723 4.480 -0.000 0.000 0.343 68 M C 0.936 177.130 176.300 -0.178 0.000 1.245 68 M CA 1.180 56.429 55.300 -0.085 0.000 1.061 68 M CB 0.148 32.714 32.600 -0.056 0.000 1.723 68 M HN 0.301 nan 8.290 nan 0.000 0.449 69 N N 2.335 120.892 118.700 -0.237 0.000 2.445 69 N HA 0.189 4.929 4.740 -0.000 0.000 0.204 69 N C -1.095 174.157 175.510 -0.430 0.000 1.098 69 N CA -0.223 52.497 53.050 -0.550 0.000 0.859 69 N CB 1.063 39.159 38.487 -0.651 0.000 1.249 69 N HN 0.411 nan 8.380 nan 0.000 0.462 70 V N 1.097 120.902 119.914 -0.183 0.000 2.577 70 V HA 0.649 4.769 4.120 -0.000 0.000 0.303 70 V C -0.892 175.193 176.094 -0.015 0.000 1.042 70 V CA -1.142 61.117 62.300 -0.068 0.000 0.872 70 V CB 1.529 33.368 31.823 0.027 0.000 0.998 70 V HN 0.110 nan 8.190 nan 0.000 0.423 71 A N 4.820 127.631 122.820 -0.015 0.000 2.276 71 A HA 0.701 5.021 4.320 -0.000 0.000 0.300 71 A C 0.086 177.676 177.584 0.010 0.000 1.235 71 A CA -0.425 51.618 52.037 0.011 0.000 0.867 71 A CB 0.276 19.284 19.000 0.012 0.000 1.137 71 A HN 0.859 nan 8.150 nan 0.000 0.527 72 R N 3.795 124.327 120.500 0.053 0.000 2.255 72 R HA 0.482 4.822 4.340 -0.000 0.000 0.326 72 R C -0.976 175.383 176.300 0.098 0.000 0.986 72 R CA -0.569 55.565 56.100 0.057 0.000 0.847 72 R CB 0.523 30.926 30.300 0.172 0.000 1.111 72 R HN 0.647 nan 8.270 nan 0.000 0.452 73 M N 3.825 123.477 119.600 0.086 0.000 2.088 73 M HA 0.188 4.667 4.480 -0.000 0.000 0.346 73 M C -0.410 176.012 176.300 0.202 0.000 1.111 73 M CA -0.978 54.428 55.300 0.177 0.000 1.017 73 M CB 0.663 33.401 32.600 0.231 0.000 1.568 73 M HN 0.419 nan 8.290 nan 0.000 0.445 74 N N 3.006 121.851 118.700 0.242 0.000 2.521 74 N HA 0.181 4.921 4.740 -0.000 0.000 0.236 74 N C -0.411 175.262 175.510 0.271 0.000 1.067 74 N CA -0.252 52.952 53.050 0.256 0.000 0.939 74 N CB 0.103 38.739 38.487 0.248 0.000 1.201 74 N HN 0.344 nan 8.380 nan 0.000 0.511 75 F N 1.352 121.255 119.950 -0.077 0.000 2.772 75 F HA 0.060 4.587 4.527 -0.000 0.000 0.302 75 F C 2.086 177.920 175.800 0.056 0.000 1.225 75 F CA 0.142 58.135 58.000 -0.011 0.000 1.429 75 F CB -0.420 38.534 39.000 -0.077 0.000 1.104 75 F HN 0.450 nan 8.300 nan 0.000 0.550 76 S N -1.587 114.182 115.700 0.115 0.000 2.453 76 S HA -0.052 4.418 4.470 -0.000 0.000 0.231 76 S C 0.278 174.602 174.600 -0.459 0.000 1.005 76 S CA 0.818 58.917 58.200 -0.168 0.000 0.949 76 S CB -0.231 62.815 63.200 -0.257 0.000 0.774 76 S HN 0.443 nan 8.310 nan 0.000 0.510 77 H N -1.743 117.411 119.070 0.141 0.000 2.977 77 H HA 0.585 5.141 4.556 -0.000 0.000 0.350 77 H C 0.180 175.500 175.328 -0.013 0.000 1.238 77 H CA -0.283 55.790 56.048 0.042 0.000 1.124 77 H CB 1.214 30.973 29.762 -0.004 0.000 1.866 77 H HN 0.212 nan 8.280 nan 0.000 0.550 78 G N 0.461 109.213 108.800 -0.080 0.000 2.716 78 G HA2 -0.043 3.916 3.960 -0.000 0.000 0.686 78 G HA3 -0.043 3.916 3.960 -0.000 0.000 0.686 78 G C -0.009 174.754 174.900 -0.228 0.000 1.337 78 G CA -0.393 44.477 45.100 -0.383 0.000 0.829 78 G HN 0.890 nan 8.290 nan 0.000 0.599 79 T N -1.656 112.774 114.554 -0.207 0.000 2.881 79 T HA 0.586 4.935 4.350 -0.000 0.000 0.278 79 T C 1.341 176.019 174.700 -0.037 0.000 0.982 79 T CA 0.447 62.489 62.100 -0.097 0.000 0.989 79 T CB 1.353 70.173 68.868 -0.080 0.000 1.058 79 T HN 0.685 nan 8.240 nan 0.000 0.529 80 H N 0.300 119.229 119.070 -0.235 0.000 2.319 80 H HA -0.126 4.430 4.556 -0.000 0.000 0.299 80 H C 2.357 177.591 175.328 -0.156 0.000 1.092 80 H CA 1.812 57.593 56.048 -0.445 0.000 1.302 80 H CB 0.192 29.520 29.762 -0.724 0.000 1.373 80 H HN 0.916 nan 8.280 nan 0.000 0.497 81 E N 0.606 120.857 120.200 0.085 0.000 2.160 81 E HA -0.265 4.085 4.350 -0.000 0.000 0.195 81 E C 1.940 178.591 176.600 0.085 0.000 0.991 81 E CA 1.303 57.770 56.400 0.111 0.000 0.810 81 E CB -0.524 29.224 29.700 0.080 0.000 0.742 81 E HN 0.560 nan 8.360 nan 0.000 0.466 82 Y N 1.563 121.804 120.300 -0.098 0.000 2.114 82 Y HA -0.236 4.314 4.550 -0.000 0.000 0.284 82 Y C 2.328 178.129 175.900 -0.164 0.000 1.143 82 Y CA 2.232 60.225 58.100 -0.179 0.000 1.135 82 Y CB -0.294 37.965 38.460 -0.335 0.000 0.980 82 Y HN 0.110 nan 8.280 nan 0.000 0.499 83 H N -0.397 118.660 119.070 -0.022 0.000 2.421 83 H HA -0.062 4.494 4.556 -0.000 0.000 0.298 83 H C 2.321 177.694 175.328 0.074 0.000 1.087 83 H CA 1.158 57.170 56.048 -0.060 0.000 1.330 83 H CB -0.739 28.923 29.762 -0.166 0.000 1.388 83 H HN 0.519 nan 8.280 nan 0.000 0.526 84 A N 0.928 123.931 122.820 0.306 0.000 1.902 84 A HA -0.183 4.137 4.320 -0.000 0.000 0.217 84 A C 2.373 180.016 177.584 0.098 0.000 1.181 84 A CA 1.654 53.869 52.037 0.297 0.000 0.623 84 A CB -0.349 18.879 19.000 0.381 0.000 0.818 84 A HN 0.431 nan 8.150 nan 0.000 0.443 85 E N -1.106 119.095 120.200 0.001 0.000 2.107 85 E HA -0.151 4.199 4.350 -0.000 0.000 0.191 85 E C 2.166 178.712 176.600 -0.090 0.000 0.982 85 E CA 1.427 57.794 56.400 -0.055 0.000 0.809 85 E CB -0.118 29.521 29.700 -0.101 0.000 0.756 85 E HN 0.645 nan 8.360 nan 0.000 0.459 86 T N 0.173 114.629 114.554 -0.164 0.000 2.821 86 T HA -0.092 4.258 4.350 -0.000 0.000 0.267 86 T C 1.945 176.635 174.700 -0.016 0.000 1.046 86 T CA 0.965 62.989 62.100 -0.125 0.000 1.139 86 T CB -0.203 68.557 68.868 -0.180 0.000 0.871 86 T HN 0.130 nan 8.240 nan 0.000 0.454 87 I N 0.741 121.331 120.570 0.033 0.000 2.286 87 I HA -0.107 4.063 4.170 -0.000 0.000 0.248 87 I C 2.751 178.883 176.117 0.025 0.000 1.115 87 I CA 1.518 62.847 61.300 0.048 0.000 1.392 87 I CB -0.382 37.660 38.000 0.070 0.000 1.065 87 I HN 0.334 nan 8.210 nan 0.000 0.418 88 K N 1.117 121.527 120.400 0.018 0.000 2.057 88 K HA -0.200 4.120 4.320 -0.000 0.000 0.207 88 K C 1.865 178.471 176.600 0.011 0.000 1.049 88 K CA 1.589 57.884 56.287 0.013 0.000 0.931 88 K CB -0.018 32.488 32.500 0.009 0.000 0.714 88 K HN 0.277 nan 8.250 nan 0.000 0.440 89 N N 0.952 119.652 118.700 0.000 0.000 2.142 89 N HA -0.149 4.591 4.740 -0.000 0.000 0.186 89 N C 1.977 177.501 175.510 0.023 0.000 1.023 89 N CA 1.663 54.715 53.050 0.003 0.000 0.852 89 N CB -0.495 37.984 38.487 -0.013 0.000 0.998 89 N HN 0.291 nan 8.380 nan 0.000 0.424 90 V N -0.015 119.915 119.914 0.027 0.000 2.343 90 V HA -0.146 3.974 4.120 -0.000 0.000 0.247 90 V C 2.238 178.370 176.094 0.063 0.000 1.051 90 V CA 1.360 63.687 62.300 0.044 0.000 1.036 90 V CB -0.580 31.265 31.823 0.036 0.000 0.654 90 V HN 0.125 nan 8.190 nan 0.000 0.451 91 R N 0.301 120.834 120.500 0.055 0.000 2.091 91 R HA -0.106 4.234 4.340 -0.000 0.000 0.238 91 R C 2.506 178.853 176.300 0.079 0.000 1.136 91 R CA 2.068 58.211 56.100 0.071 0.000 0.959 91 R CB -0.966 29.363 30.300 0.050 0.000 0.856 91 R HN 0.632 nan 8.270 nan 0.000 0.437 92 T N 1.007 115.592 114.554 0.051 0.000 2.674 92 T HA -0.132 4.218 4.350 -0.000 0.000 0.265 92 T C 1.972 176.699 174.700 0.046 0.000 1.039 92 T CA 1.502 63.623 62.100 0.036 0.000 1.150 92 T CB -0.294 68.582 68.868 0.013 0.000 0.864 92 T HN 0.382 nan 8.240 nan 0.000 0.427 93 A N 1.172 124.029 122.820 0.061 0.000 1.940 93 A HA -0.162 4.157 4.320 -0.000 0.000 0.219 93 A C 2.537 180.259 177.584 0.231 0.000 1.176 93 A CA 2.233 54.327 52.037 0.095 0.000 0.631 93 A CB -1.279 17.791 19.000 0.116 0.000 0.814 93 A HN 0.492 nan 8.150 nan 0.000 0.446 94 T N -0.092 114.606 114.554 0.240 0.000 2.737 94 T HA -0.091 4.259 4.350 -0.000 0.000 0.265 94 T C 1.742 176.726 174.700 0.473 0.000 1.038 94 T CA 1.475 63.781 62.100 0.344 0.000 1.144 94 T CB -0.233 68.767 68.868 0.219 0.000 0.866 94 T HN 0.468 nan 8.240 nan 0.000 0.434 95 E N 1.703 122.079 120.200 0.292 0.000 2.338 95 E HA -0.044 4.306 4.350 -0.000 0.000 0.197 95 E C 2.423 179.091 176.600 0.113 0.000 1.007 95 E CA 0.753 57.285 56.400 0.220 0.000 0.849 95 E CB -0.579 29.183 29.700 0.104 0.000 0.774 95 E HN 0.648 nan 8.360 nan 0.000 0.506 96 S N -0.387 115.310 115.700 -0.006 0.000 2.528 96 S HA -0.095 4.375 4.470 -0.000 0.000 0.244 96 S C 1.409 175.792 174.600 -0.361 0.000 0.982 96 S CA 0.618 58.669 58.200 -0.247 0.000 0.953 96 S CB -0.396 62.541 63.200 -0.437 0.000 0.754 96 S HN 0.152 nan 8.310 nan 0.000 0.529 97 F N 0.647 120.678 119.950 0.135 0.000 2.712 97 F HA 0.559 5.086 4.527 -0.000 0.000 0.297 97 F C 2.445 178.364 175.800 0.198 0.000 1.114 97 F CA -0.294 57.810 58.000 0.173 0.000 1.305 97 F CB -0.633 38.495 39.000 0.212 0.000 1.086 97 F HN 0.213 nan 8.300 nan 0.000 0.599 98 A N 0.703 123.689 122.820 0.276 0.000 2.054 98 A HA -0.296 4.023 4.320 -0.000 0.000 0.223 98 A C 2.369 179.898 177.584 -0.092 0.000 1.169 98 A CA 2.328 54.254 52.037 -0.185 0.000 0.655 98 A CB -1.220 17.611 19.000 -0.281 0.000 0.812 98 A HN 0.438 nan 8.150 nan 0.000 0.462 99 S N -0.399 115.304 115.700 0.006 0.000 2.380 99 S HA -0.183 4.287 4.470 -0.000 0.000 0.229 99 S C 0.889 175.503 174.600 0.023 0.000 1.043 99 S CA 1.218 59.420 58.200 0.004 0.000 1.038 99 S CB -0.444 62.763 63.200 0.012 0.000 0.872 99 S HN 0.614 nan 8.310 nan 0.000 0.456 100 D N 2.392 122.838 120.400 0.077 0.000 2.396 100 D HA 0.346 4.986 4.640 -0.000 0.000 0.225 100 D C -2.107 174.254 176.300 0.101 0.000 1.121 100 D CA -2.403 51.647 54.000 0.082 0.000 0.853 100 D CB 1.656 42.520 40.800 0.107 0.000 1.043 100 D HN 0.003 nan 8.370 nan 0.000 0.500 101 P HA -0.037 nan 4.420 nan 0.000 0.219 101 P C 1.439 178.801 177.300 0.103 0.000 1.146 101 P CA 0.789 63.928 63.100 0.064 0.000 0.808 101 P CB 0.444 32.159 31.700 0.024 0.000 0.779 102 I N -1.750 118.866 120.570 0.076 0.000 2.400 102 I HA -0.096 4.074 4.170 -0.000 0.000 0.248 102 I C 1.628 177.784 176.117 0.065 0.000 1.109 102 I CA 0.908 62.239 61.300 0.053 0.000 1.425 102 I CB -0.334 37.672 38.000 0.010 0.000 1.094 102 I HN -0.116 nan 8.210 nan 0.000 0.425 103 L N 0.114 121.387 121.223 0.085 0.000 2.592 103 L HA 0.066 4.406 4.340 -0.000 0.000 0.227 103 L C 0.357 177.292 176.870 0.109 0.000 1.127 103 L CA 0.307 55.190 54.840 0.072 0.000 0.884 103 L CB -1.102 40.996 42.059 0.064 0.000 1.065 103 L HN 0.202 nan 8.230 nan 0.000 0.457 104 Y N 1.821 122.145 120.300 0.040 0.000 2.496 104 Y HA 0.235 4.785 4.550 -0.000 0.000 0.334 104 Y C 0.169 176.067 175.900 -0.005 0.000 1.080 104 Y CA -0.467 57.656 58.100 0.038 0.000 1.355 104 Y CB 0.338 38.836 38.460 0.062 0.000 1.193 104 Y HN -0.012 nan 8.280 nan 0.000 0.523 105 R N 8.038 128.140 120.500 -0.663 0.000 2.275 105 R HA 0.365 4.705 4.340 -0.000 0.000 0.326 105 R C -2.581 173.248 176.300 -0.784 0.000 0.973 105 R CA -2.153 53.585 56.100 -0.603 0.000 0.854 105 R CB 0.461 30.519 30.300 -0.404 0.000 1.156 105 R HN 0.512 nan 8.270 nan 0.000 0.487 106 P HA 0.047 nan 4.420 nan 0.000 0.269 106 P C -0.635 176.636 177.300 -0.048 0.000 1.215 106 P CA -0.119 62.782 63.100 -0.332 0.000 0.780 106 P CB 1.018 32.657 31.700 -0.102 0.000 0.898 107 V N 1.290 121.196 119.914 -0.013 0.000 2.656 107 V HA 0.588 4.708 4.120 -0.000 0.000 0.307 107 V C 0.242 176.357 176.094 0.033 0.000 1.051 107 V CA -0.922 61.357 62.300 -0.034 0.000 0.893 107 V CB 1.768 33.556 31.823 -0.058 0.000 0.999 107 V HN 0.778 nan 8.190 nan 0.000 0.426 108 A N 3.752 126.584 122.820 0.021 0.000 2.303 108 A HA 0.827 5.147 4.320 -0.000 0.000 0.317 108 A C -0.613 176.966 177.584 -0.008 0.000 1.149 108 A CA -0.504 51.559 52.037 0.043 0.000 0.822 108 A CB 1.294 20.347 19.000 0.088 0.000 1.131 108 A HN 0.707 nan 8.150 nan 0.000 0.493 109 V N 1.756 121.657 119.914 -0.023 0.000 2.347 109 V HA 0.595 4.714 4.120 -0.000 0.000 0.280 109 V C 0.464 176.476 176.094 -0.137 0.000 1.021 109 V CA -0.123 62.145 62.300 -0.055 0.000 0.847 109 V CB 0.976 32.778 31.823 -0.035 0.000 0.990 109 V HN 1.125 nan 8.190 nan 0.000 0.444 110 A N 5.501 128.189 122.820 -0.220 0.000 2.330 110 A HA 0.843 5.162 4.320 -0.000 0.000 0.327 110 A C -0.984 176.332 177.584 -0.447 0.000 1.155 110 A CA -0.567 51.172 52.037 -0.497 0.000 0.803 110 A CB 1.308 19.737 19.000 -0.951 0.000 1.208 110 A HN 0.783 nan 8.150 nan 0.000 0.477 111 L N 2.334 123.264 121.223 -0.489 0.000 2.276 111 L HA 0.462 4.802 4.340 -0.000 0.000 0.286 111 L C -0.800 175.852 176.870 -0.363 0.000 1.024 111 L CA -0.383 54.217 54.840 -0.400 0.000 0.826 111 L CB 1.049 42.825 42.059 -0.472 0.000 1.211 111 L HN 0.643 nan 8.230 nan 0.000 0.422 112 D N 3.695 123.998 120.400 -0.161 0.000 2.359 112 D HA 0.163 4.803 4.640 -0.000 0.000 0.230 112 D C -0.426 175.889 176.300 0.025 0.000 1.118 112 D CA -0.078 53.939 54.000 0.029 0.000 0.844 112 D CB 1.065 41.978 40.800 0.188 0.000 1.059 112 D HN 0.604 nan 8.370 nan 0.000 0.493 113 T N 3.093 117.648 114.554 0.000 0.000 2.937 113 T HA -0.045 4.305 4.350 -0.000 0.000 0.316 113 T C 1.447 176.196 174.700 0.082 0.000 1.079 113 T CA 0.114 62.223 62.100 0.015 0.000 1.131 113 T CB 1.295 70.170 68.868 0.011 0.000 1.000 113 T HN 0.433 nan 8.240 nan 0.000 0.549 114 K N 1.856 122.323 120.400 0.111 0.000 1.991 114 K HA 0.115 4.435 4.320 -0.000 0.000 0.207 114 K C 1.172 177.862 176.600 0.151 0.000 1.045 114 K CA 1.200 57.558 56.287 0.119 0.000 0.937 114 K CB -0.613 31.954 32.500 0.112 0.000 0.720 114 K HN 0.936 nan 8.250 nan 0.000 0.438 115 G N 0.089 108.971 108.800 0.137 0.000 2.693 115 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.226 115 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.226 115 G C -2.529 172.444 174.900 0.121 0.000 1.354 115 G CA -0.291 44.916 45.100 0.178 0.000 0.873 115 G HN 0.277 nan 8.290 nan 0.000 0.562 116 P HA 0.313 nan 4.420 nan 0.000 0.237 116 P C -0.036 177.092 177.300 -0.287 0.000 1.788 116 P CA 0.234 63.249 63.100 -0.143 0.000 1.061 116 P CB 0.141 31.712 31.700 -0.215 0.000 1.967 117 E N 1.200 121.330 120.200 -0.116 0.000 2.318 117 E HA 0.394 4.744 4.350 -0.000 0.000 0.265 117 E C -0.026 176.493 176.600 -0.135 0.000 1.069 117 E CA -0.661 55.679 56.400 -0.099 0.000 0.893 117 E CB 1.147 30.879 29.700 0.054 0.000 1.076 117 E HN 0.259 nan 8.360 nan 0.000 0.414 118 I N 2.784 123.289 120.570 -0.109 0.000 2.439 118 I HA 0.298 4.468 4.170 -0.000 0.000 0.283 118 I C -0.287 175.837 176.117 0.013 0.000 1.023 118 I CA -0.647 60.611 61.300 -0.071 0.000 1.100 118 I CB 0.919 38.865 38.000 -0.091 0.000 1.238 118 I HN 0.193 nan 8.210 nan 0.000 0.445 119 R N 3.054 123.583 120.500 0.047 0.000 2.778 119 R HA 0.588 4.928 4.340 -0.000 0.000 0.277 119 R C 0.044 176.425 176.300 0.135 0.000 0.977 119 R CA -0.604 55.563 56.100 0.111 0.000 0.950 119 R CB 2.234 32.629 30.300 0.158 0.000 1.165 119 R HN 0.691 nan 8.270 nan 0.000 0.474 120 T N -1.932 112.729 114.554 0.179 0.000 2.814 120 T HA 0.583 4.933 4.350 -0.000 0.000 0.284 120 T C 0.759 175.702 174.700 0.405 0.000 0.998 120 T CA -0.368 61.876 62.100 0.239 0.000 0.935 120 T CB 1.285 70.261 68.868 0.180 0.000 1.167 120 T HN 0.512 nan 8.240 nan 0.000 0.545 121 G N -0.619 108.462 108.800 0.468 0.000 2.671 121 G HA2 0.599 4.559 3.960 -0.000 0.000 0.275 121 G HA3 0.599 4.559 3.960 -0.000 0.000 0.275 121 G C -0.719 174.279 174.900 0.163 0.000 1.368 121 G CA -1.299 44.005 45.100 0.341 0.000 1.044 121 G HN 0.845 nan 8.290 nan 0.000 0.543 122 L N 0.762 122.024 121.223 0.065 0.000 2.276 122 L HA 0.342 4.682 4.340 -0.000 0.000 0.286 122 L C 0.356 177.257 176.870 0.052 0.000 1.061 122 L CA -0.455 54.412 54.840 0.045 0.000 0.807 122 L CB 1.135 43.194 42.059 -0.000 0.000 1.177 122 L HN 0.305 nan 8.230 nan 0.000 0.429 123 I N 2.808 123.416 120.570 0.063 0.000 2.932 123 I HA -0.148 4.022 4.170 -0.000 0.000 0.295 123 I C 0.841 176.985 176.117 0.046 0.000 1.227 123 I CA 0.015 61.353 61.300 0.064 0.000 1.429 123 I CB 0.323 38.362 38.000 0.066 0.000 1.339 123 I HN 0.645 nan 8.210 nan 0.000 0.589 124 K N 4.287 124.717 120.400 0.050 0.000 2.344 124 K HA 0.048 4.368 4.320 -0.000 0.000 0.260 124 K C 1.094 177.709 176.600 0.025 0.000 0.988 124 K CA 0.360 56.669 56.287 0.036 0.000 0.909 124 K CB 0.101 32.629 32.500 0.046 0.000 0.968 124 K HN 0.673 nan 8.250 nan 0.000 0.505 125 G N 0.631 109.438 108.800 0.012 0.000 2.653 125 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.212 125 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.212 125 G C 0.260 175.167 174.900 0.012 0.000 1.138 125 G CA 0.339 45.444 45.100 0.008 0.000 0.782 125 G HN 0.929 nan 8.290 nan 0.000 0.535 126 S N -0.526 115.186 115.700 0.020 0.000 2.555 126 S HA 0.205 4.675 4.470 -0.000 0.000 0.264 126 S C 1.329 175.940 174.600 0.019 0.000 1.378 126 S CA 0.069 58.282 58.200 0.021 0.000 0.996 126 S CB 0.512 63.730 63.200 0.030 0.000 0.869 126 S HN 0.636 nan 8.310 nan 0.000 0.546 127 G N 1.187 109.997 108.800 0.017 0.000 2.707 127 G HA2 0.287 4.247 3.960 -0.000 0.000 0.271 127 G HA3 0.287 4.247 3.960 -0.000 0.000 0.271 127 G C 1.172 176.082 174.900 0.015 0.000 0.681 127 G CA 0.446 45.554 45.100 0.013 0.000 2.072 127 G HN 2.111 nan 8.290 nan 0.000 0.569 128 T N -3.083 111.481 114.554 0.016 0.000 10.123 128 T HA -0.406 3.944 4.350 -0.000 0.000 0.405 128 T C 1.445 176.162 174.700 0.028 0.000 1.550 128 T CA 1.517 63.627 62.100 0.017 0.000 2.509 128 T CB -1.814 67.057 68.868 0.006 0.000 2.883 128 T HN 1.956 nan 8.240 nan 0.000 1.132 129 A N 2.711 125.551 122.820 0.034 0.000 2.504 129 A HA 0.335 4.654 4.320 -0.000 0.000 0.280 129 A C 0.632 178.270 177.584 0.090 0.000 1.125 129 A CA 0.870 52.940 52.037 0.055 0.000 0.873 129 A CB -0.694 18.342 19.000 0.060 0.000 0.997 129 A HN 0.813 nan 8.150 nan 0.000 0.542 130 E N 0.821 121.083 120.200 0.103 0.000 2.461 130 E HA 0.166 4.516 4.350 -0.000 0.000 0.263 130 E C -0.073 176.670 176.600 0.238 0.000 1.143 130 E CA 0.055 56.551 56.400 0.159 0.000 0.994 130 E CB 0.437 30.242 29.700 0.175 0.000 0.973 130 E HN 0.442 nan 8.360 nan 0.000 0.457 131 V N 1.633 121.663 119.914 0.194 0.000 2.509 131 V HA 0.108 4.228 4.120 -0.000 0.000 0.284 131 V C 0.130 176.217 176.094 -0.012 0.000 1.047 131 V CA -0.242 62.124 62.300 0.109 0.000 0.952 131 V CB 1.292 33.148 31.823 0.054 0.000 0.988 131 V HN 0.613 nan 8.190 nan 0.000 0.469 132 E N 4.323 124.397 120.200 -0.211 0.000 2.175 132 E HA 0.483 4.833 4.350 -0.000 0.000 0.278 132 E C -1.221 175.172 176.600 -0.345 0.000 0.969 132 E CA -0.618 55.392 56.400 -0.649 0.000 0.796 132 E CB 1.136 30.343 29.700 -0.822 0.000 1.104 132 E HN 0.640 nan 8.360 nan 0.000 0.395 133 L N 5.698 126.725 121.223 -0.328 0.000 2.371 133 L HA 0.349 4.689 4.340 -0.000 0.000 0.262 133 L C 0.165 176.934 176.870 -0.169 0.000 1.054 133 L CA -0.662 54.069 54.840 -0.181 0.000 0.924 133 L CB 0.593 42.580 42.059 -0.120 0.000 1.295 133 L HN 0.452 nan 8.230 nan 0.000 0.441 134 K N 3.352 123.662 120.400 -0.151 0.000 2.382 134 K HA 0.109 4.429 4.320 -0.000 0.000 0.275 134 K C 0.242 176.797 176.600 -0.075 0.000 1.009 134 K CA -0.443 55.778 56.287 -0.110 0.000 0.970 134 K CB 1.020 33.467 32.500 -0.088 0.000 0.934 134 K HN 0.331 nan 8.250 nan 0.000 0.479 135 K N 2.337 122.702 120.400 -0.059 0.000 2.527 135 K HA -0.089 4.231 4.320 -0.000 0.000 0.278 135 K C 0.480 177.056 176.600 -0.040 0.000 0.981 135 K CA 1.439 57.699 56.287 -0.046 0.000 1.009 135 K CB -0.060 32.420 32.500 -0.032 0.000 0.895 135 K HN 0.890 nan 8.250 nan 0.000 0.493 136 G N 1.425 110.202 108.800 -0.039 0.000 2.143 136 G HA2 -0.256 3.703 3.960 -0.000 0.000 0.248 136 G HA3 -0.256 3.703 3.960 -0.000 0.000 0.248 136 G C -0.016 174.864 174.900 -0.033 0.000 0.991 136 G CA 0.209 45.290 45.100 -0.033 0.000 0.689 136 G HN 0.895 nan 8.290 nan 0.000 0.522 137 A N -1.249 121.547 122.820 -0.040 0.000 2.269 137 A HA 0.907 5.227 4.320 -0.000 0.000 0.327 137 A C 1.301 178.863 177.584 -0.036 0.000 1.112 137 A CA 0.970 52.984 52.037 -0.038 0.000 0.865 137 A CB 0.735 19.707 19.000 -0.046 0.000 1.227 137 A HN 0.480 nan 8.150 nan 0.000 0.498 138 T N 0.084 114.620 114.554 -0.029 0.000 2.764 138 T HA 0.216 4.566 4.350 -0.000 0.000 0.243 138 T C 0.529 175.213 174.700 -0.027 0.000 1.065 138 T CA 0.948 63.033 62.100 -0.025 0.000 1.219 138 T CB -0.419 68.441 68.868 -0.015 0.000 0.918 138 T HN 1.109 nan 8.240 nan 0.000 0.409 139 L N 1.369 122.577 121.223 -0.025 0.000 1.216 139 L HA -0.135 4.205 4.340 -0.000 0.000 0.393 139 L C -0.520 176.340 176.870 -0.017 0.000 1.003 139 L CA 0.481 55.306 54.840 -0.025 0.000 1.226 139 L CB -0.047 41.994 42.059 -0.031 0.000 0.676 139 L HN 0.504 nan 8.230 nan 0.000 0.362 140 K N 6.869 127.258 120.400 -0.018 0.000 2.376 140 K HA 0.672 4.992 4.320 -0.000 0.000 0.257 140 K C -0.106 176.489 176.600 -0.009 0.000 0.939 140 K CA -0.891 55.399 56.287 0.005 0.000 0.809 140 K CB 1.181 33.684 32.500 0.004 0.000 1.121 140 K HN 0.554 nan 8.250 nan 0.000 0.425 141 I N 1.978 122.554 120.570 0.009 0.000 2.315 141 I HA 0.376 4.545 4.170 -0.000 0.000 0.291 141 I C -0.075 176.051 176.117 0.014 0.000 1.006 141 I CA -0.372 60.924 61.300 -0.007 0.000 1.265 141 I CB 1.325 39.304 38.000 -0.036 0.000 1.387 141 I HN 0.609 nan 8.210 nan 0.000 0.475 142 T N 2.949 117.505 114.554 0.005 0.000 2.938 142 T HA 0.612 4.962 4.350 -0.000 0.000 0.285 142 T C 0.254 174.955 174.700 0.002 0.000 1.028 142 T CA -0.742 61.386 62.100 0.047 0.000 1.005 142 T CB 2.132 71.019 68.868 0.032 0.000 1.157 142 T HN 0.549 nan 8.240 nan 0.000 0.550 143 L N -0.345 120.918 121.223 0.067 0.000 3.039 143 L HA 0.375 4.715 4.340 -0.000 0.000 0.269 143 L C 0.612 177.679 176.870 0.327 0.000 1.169 143 L CA -0.058 54.766 54.840 -0.026 0.000 0.986 143 L CB -0.014 42.010 42.059 -0.059 0.000 1.377 143 L HN 0.726 nan 8.230 nan 0.000 0.575 144 D N 1.261 121.899 120.400 0.395 0.000 2.383 144 D HA -0.112 4.528 4.640 -0.000 0.000 0.275 144 D C 0.742 177.332 176.300 0.484 0.000 1.344 144 D CA 0.316 54.559 54.000 0.406 0.000 0.984 144 D CB 0.326 41.399 40.800 0.454 0.000 1.104 144 D HN 0.070 nan 8.370 nan 0.000 0.524 145 N N 2.979 121.903 118.700 0.372 0.000 2.786 145 N HA -0.132 4.608 4.740 -0.000 0.000 0.201 145 N C 0.896 176.340 175.510 -0.111 0.000 1.405 145 N CA 0.512 53.662 53.050 0.166 0.000 0.959 145 N CB 0.171 38.747 38.487 0.148 0.000 1.092 145 N HN 0.488 nan 8.380 nan 0.000 0.449 146 A N -0.892 121.871 122.820 -0.096 0.000 2.063 146 A HA 0.081 4.401 4.320 -0.000 0.000 0.211 146 A C 1.161 178.486 177.584 -0.431 0.000 1.177 146 A CA 0.119 51.973 52.037 -0.305 0.000 0.759 146 A CB -0.095 18.661 19.000 -0.407 0.000 0.857 146 A HN 0.224 nan 8.150 nan 0.000 0.468 147 Y N -0.807 119.454 120.300 -0.064 0.000 2.490 147 Y HA 0.155 4.705 4.550 -0.000 0.000 0.281 147 Y C 2.045 177.836 175.900 -0.183 0.000 1.174 147 Y CA 0.413 58.491 58.100 -0.037 0.000 1.295 147 Y CB -0.422 38.102 38.460 0.108 0.000 1.062 147 Y HN 0.337 nan 8.280 nan 0.000 0.522 148 M N 0.354 119.673 119.600 -0.467 0.000 2.153 148 M HA -0.324 4.156 4.480 -0.000 0.000 0.253 148 M C 0.493 176.537 176.300 -0.427 0.000 1.081 148 M CA 2.111 56.841 55.300 -0.949 0.000 1.076 148 M CB 0.047 32.029 32.600 -1.031 0.000 1.350 148 M HN 0.257 nan 8.290 nan 0.000 0.401 149 E N -1.024 119.032 120.200 -0.239 0.000 2.789 149 E HA 0.143 4.493 4.350 -0.000 0.000 0.208 149 E C -0.169 176.403 176.600 -0.048 0.000 0.988 149 E CA 0.027 56.353 56.400 -0.124 0.000 1.092 149 E CB 0.676 30.300 29.700 -0.127 0.000 1.066 149 E HN 0.357 nan 8.360 nan 0.000 0.465 150 K N 0.722 121.125 120.400 0.004 0.000 3.301 150 K HA 0.311 4.631 4.320 -0.000 0.000 0.170 150 K C -0.532 176.153 176.600 0.141 0.000 1.061 150 K CA -0.427 55.897 56.287 0.062 0.000 0.807 150 K CB -0.701 31.825 32.500 0.043 0.000 0.889 150 K HN 0.101 nan 8.250 nan 0.000 0.564 151 C N 2.167 121.540 119.300 0.121 0.000 2.466 151 C HA 0.864 5.323 4.460 -0.000 0.000 0.379 151 C C 0.252 175.297 174.990 0.092 0.000 1.251 151 C CA -0.078 59.019 59.018 0.131 0.000 2.263 151 C CB 0.604 28.428 27.740 0.140 0.000 2.511 151 C HN 0.953 nan 8.230 nan 0.000 0.573 152 D N 0.331 120.774 120.400 0.072 0.000 3.103 152 D HA 0.165 4.805 4.640 -0.000 0.000 0.337 152 D C 0.201 176.517 176.300 0.026 0.000 1.356 152 D CA -0.560 53.470 54.000 0.050 0.000 0.951 152 D CB -0.057 40.772 40.800 0.049 0.000 1.438 152 D HN 0.316 nan 8.370 nan 0.000 0.562 153 E N -0.426 119.780 120.200 0.010 0.000 2.204 153 E HA -0.052 4.298 4.350 -0.000 0.000 0.195 153 E C 1.122 177.712 176.600 -0.016 0.000 0.990 153 E CA 1.437 57.830 56.400 -0.013 0.000 0.821 153 E CB -0.259 29.428 29.700 -0.022 0.000 0.750 153 E HN 0.360 nan 8.360 nan 0.000 0.477 154 N N -0.142 118.552 118.700 -0.010 0.000 2.432 154 N HA 0.050 4.789 4.740 -0.000 0.000 0.174 154 N C 0.116 175.599 175.510 -0.045 0.000 1.037 154 N CA 0.497 53.532 53.050 -0.024 0.000 0.892 154 N CB 0.995 39.469 38.487 -0.021 0.000 1.049 154 N HN 0.087 nan 8.380 nan 0.000 0.442 155 I N 1.189 121.732 120.570 -0.045 0.000 2.647 155 I HA 0.408 4.577 4.170 -0.000 0.000 0.295 155 I C -0.928 175.186 176.117 -0.004 0.000 1.078 155 I CA -1.003 60.241 61.300 -0.094 0.000 1.048 155 I CB 2.154 39.991 38.000 -0.271 0.000 1.239 155 I HN -0.146 nan 8.210 nan 0.000 0.421 156 L N 5.659 126.893 121.223 0.020 0.000 2.482 156 L HA 0.494 4.834 4.340 -0.000 0.000 0.269 156 L C -1.419 175.547 176.870 0.161 0.000 0.967 156 L CA -0.159 54.743 54.840 0.103 0.000 0.851 156 L CB 1.826 43.925 42.059 0.065 0.000 1.242 156 L HN 0.692 nan 8.230 nan 0.000 0.404 157 W N 6.095 127.426 121.300 0.052 0.000 2.251 157 W HA 0.628 5.288 4.660 -0.000 0.000 0.329 157 W C -1.438 175.123 176.519 0.069 0.000 1.234 157 W CA -0.240 57.150 57.345 0.076 0.000 1.228 157 W CB 1.017 30.551 29.460 0.124 0.000 1.135 157 W HN 0.487 nan 8.180 nan 0.000 0.576 158 L N 4.787 125.529 121.223 -0.801 0.000 2.354 158 L HA 0.250 4.590 4.340 -0.000 0.000 0.264 158 L C 0.452 176.398 176.870 -1.541 0.000 1.008 158 L CA -0.563 53.819 54.840 -0.763 0.000 0.819 158 L CB 1.987 43.821 42.059 -0.376 0.000 1.339 158 L HN 0.630 nan 8.230 nan 0.000 0.420 159 D N -0.024 119.847 120.400 -0.882 0.000 2.328 159 D HA -0.052 4.588 4.640 -0.000 0.000 0.221 159 D C -0.097 176.109 176.300 -0.156 0.000 1.072 159 D CA 0.158 53.819 54.000 -0.565 0.000 0.850 159 D CB -0.221 40.572 40.800 -0.010 0.000 0.922 159 D HN 0.219 nan 8.370 nan 0.000 0.516 160 Y N 2.299 122.411 120.300 -0.312 0.000 2.595 160 Y HA 0.331 4.881 4.550 -0.000 0.000 0.336 160 Y C 0.974 176.770 175.900 -0.173 0.000 0.996 160 Y CA -1.654 56.336 58.100 -0.184 0.000 1.260 160 Y CB 0.425 38.793 38.460 -0.154 0.000 1.108 160 Y HN -0.256 nan 8.280 nan 0.000 0.509 161 K N 2.452 122.803 120.400 -0.081 0.000 2.063 161 K HA -0.192 4.128 4.320 -0.000 0.000 0.208 161 K C 0.635 177.036 176.600 -0.331 0.000 1.048 161 K CA 1.922 58.105 56.287 -0.175 0.000 0.928 161 K CB 0.142 32.620 32.500 -0.035 0.000 0.713 161 K HN 0.481 nan 8.250 nan 0.000 0.442 162 N N 0.965 119.374 118.700 -0.487 0.000 2.362 162 N HA 0.069 4.809 4.740 -0.000 0.000 0.204 162 N C 1.071 176.126 175.510 -0.759 0.000 1.166 162 N CA 0.025 52.799 53.050 -0.460 0.000 0.831 162 N CB 0.010 38.391 38.487 -0.178 0.000 1.008 162 N HN 0.167 nan 8.380 nan 0.000 0.472 163 I N -0.514 119.364 120.570 -1.153 0.000 2.399 163 I HA -0.351 3.819 4.170 -0.000 0.000 0.254 163 I C 0.990 176.885 176.117 -0.369 0.000 1.146 163 I CA 1.098 61.895 61.300 -0.838 0.000 1.412 163 I CB 0.076 37.741 38.000 -0.559 0.000 1.076 163 I HN 0.212 nan 8.210 nan 0.000 0.432 164 C N 0.888 120.005 119.300 -0.305 0.000 2.450 164 C HA -0.061 4.399 4.460 -0.000 0.000 0.279 164 C C 2.413 177.306 174.990 -0.161 0.000 1.335 164 C CA 0.537 59.431 59.018 -0.206 0.000 1.749 164 C CB -0.986 26.648 27.740 -0.177 0.000 1.963 164 C HN 0.462 nan 8.230 nan 0.000 0.501 165 K N 1.125 121.430 120.400 -0.159 0.000 2.418 165 K HA 0.010 4.330 4.320 -0.000 0.000 0.195 165 K C 1.660 178.218 176.600 -0.070 0.000 1.035 165 K CA 1.083 57.310 56.287 -0.101 0.000 1.003 165 K CB -0.042 32.409 32.500 -0.082 0.000 0.793 165 K HN 0.598 nan 8.250 nan 0.000 0.494 166 V N -1.758 118.112 119.914 -0.073 0.000 3.431 166 V HA 0.072 4.192 4.120 -0.000 0.000 0.253 166 V C 0.941 177.022 176.094 -0.022 0.000 1.184 166 V CA -0.392 61.898 62.300 -0.018 0.000 1.104 166 V CB -0.103 31.754 31.823 0.056 0.000 0.799 166 V HN -0.000 nan 8.190 nan 0.000 0.462 167 V N -0.833 119.052 119.914 -0.050 0.000 3.096 167 V HA 0.773 4.893 4.120 -0.000 0.000 0.319 167 V C -0.834 175.221 176.094 -0.065 0.000 1.082 167 V CA -0.488 61.784 62.300 -0.047 0.000 1.022 167 V CB 1.689 33.479 31.823 -0.055 0.000 1.103 167 V HN 0.424 nan 8.190 nan 0.000 0.455 168 D N -0.441 119.923 120.400 -0.060 0.000 2.626 168 D HA 0.313 4.953 4.640 -0.000 0.000 0.278 168 D C -0.922 175.338 176.300 -0.068 0.000 1.211 168 D CA -0.426 53.534 54.000 -0.067 0.000 0.903 168 D CB 2.163 42.932 40.800 -0.051 0.000 1.408 168 D HN 0.753 nan 8.370 nan 0.000 0.454 169 V N 0.293 120.166 119.914 -0.070 0.000 2.694 169 V HA 0.334 4.454 4.120 -0.000 0.000 0.306 169 V C 1.358 177.423 176.094 -0.049 0.000 1.054 169 V CA 2.117 64.378 62.300 -0.065 0.000 1.161 169 V CB 0.132 31.919 31.823 -0.060 0.000 0.916 169 V HN 0.962 nan 8.190 nan 0.000 0.490 170 G N 4.012 112.783 108.800 -0.048 0.000 2.336 170 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.233 170 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.233 170 G C 0.571 175.451 174.900 -0.034 0.000 1.053 170 G CA 0.248 45.325 45.100 -0.037 0.000 0.625 170 G HN 1.316 nan 8.290 nan 0.000 0.511 171 S N 2.632 118.311 115.700 -0.035 0.000 2.593 171 S HA 0.335 4.805 4.470 -0.000 0.000 0.300 171 S C 0.564 175.147 174.600 -0.029 0.000 1.267 171 S CA 0.321 58.508 58.200 -0.023 0.000 1.065 171 S CB 0.745 63.929 63.200 -0.027 0.000 0.807 171 S HN 0.440 nan 8.310 nan 0.000 0.499 172 K N 2.221 122.618 120.400 -0.004 0.000 2.143 172 K HA 0.494 4.814 4.320 -0.000 0.000 0.272 172 K C -0.607 175.974 176.600 -0.031 0.000 1.001 172 K CA -0.480 55.779 56.287 -0.047 0.000 0.915 172 K CB 1.352 33.856 32.500 0.006 0.000 1.047 172 K HN 0.331 nan 8.250 nan 0.000 0.458 173 V N 3.615 123.437 119.914 -0.152 0.000 2.531 173 V HA 0.306 4.426 4.120 -0.000 0.000 0.301 173 V C -1.221 174.747 176.094 -0.211 0.000 1.034 173 V CA -0.947 61.312 62.300 -0.069 0.000 0.865 173 V CB 1.169 32.961 31.823 -0.051 0.000 0.995 173 V HN 0.550 nan 8.190 nan 0.000 0.424 174 Y N 3.041 123.348 120.300 0.012 0.000 2.360 174 Y HA 0.744 5.294 4.550 -0.000 0.000 0.337 174 Y C 0.084 176.000 175.900 0.028 0.000 1.039 174 Y CA -0.743 57.370 58.100 0.021 0.000 1.109 174 Y CB 2.084 40.560 38.460 0.027 0.000 1.201 174 Y HN 0.372 nan 8.280 nan 0.000 0.458 175 V N 1.855 121.852 119.914 0.138 0.000 2.789 175 V HA 0.311 4.431 4.120 -0.000 0.000 0.311 175 V C -0.838 175.328 176.094 0.120 0.000 1.073 175 V CA -1.330 61.035 62.300 0.109 0.000 0.921 175 V CB 1.796 33.656 31.823 0.062 0.000 1.009 175 V HN 0.820 nan 8.190 nan 0.000 0.426 176 D N 3.695 124.165 120.400 0.117 0.000 3.133 176 D HA -0.159 4.481 4.640 -0.000 0.000 0.239 176 D C 0.155 176.525 176.300 0.118 0.000 1.136 176 D CA 1.097 55.164 54.000 0.113 0.000 0.898 176 D CB -0.826 40.036 40.800 0.105 0.000 0.959 176 D HN 0.886 nan 8.370 nan 0.000 0.415 177 D N 0.816 121.287 120.400 0.119 0.000 2.708 177 D HA -0.154 4.486 4.640 -0.000 0.000 0.236 177 D C 1.322 177.692 176.300 0.116 0.000 1.146 177 D CA 2.029 56.094 54.000 0.107 0.000 0.662 177 D CB -1.559 39.295 40.800 0.091 0.000 1.059 177 D HN 1.237 nan 8.370 nan 0.000 0.428 178 G N -0.837 108.063 108.800 0.168 0.000 2.186 178 G HA2 -0.401 3.559 3.960 -0.000 0.000 0.266 178 G HA3 -0.401 3.559 3.960 -0.000 0.000 0.266 178 G C 1.172 176.232 174.900 0.267 0.000 0.982 178 G CA 0.740 45.998 45.100 0.264 0.000 0.670 178 G HN 0.528 nan 8.290 nan 0.000 0.533 179 L N -0.690 120.636 121.223 0.171 0.000 2.156 179 L HA 0.274 4.613 4.340 -0.000 0.000 0.208 179 L C 1.557 178.493 176.870 0.111 0.000 1.095 179 L CA 0.814 55.733 54.840 0.131 0.000 0.770 179 L CB -0.039 42.084 42.059 0.106 0.000 0.914 179 L HN 0.307 nan 8.230 nan 0.000 0.439 180 I N -1.052 119.577 120.570 0.098 0.000 2.412 180 I HA 0.159 4.329 4.170 -0.000 0.000 0.296 180 I C -0.029 176.055 176.117 -0.054 0.000 0.987 180 I CA -0.109 61.207 61.300 0.026 0.000 1.180 180 I CB 1.933 39.944 38.000 0.019 0.000 1.340 180 I HN -0.143 nan 8.210 nan 0.000 0.455 181 S N 7.065 122.680 115.700 -0.143 0.000 2.502 181 S HA 0.770 5.240 4.470 -0.000 0.000 0.304 181 S C -0.929 173.521 174.600 -0.250 0.000 1.097 181 S CA -0.546 57.442 58.200 -0.352 0.000 1.045 181 S CB 0.779 63.781 63.200 -0.330 0.000 1.019 181 S HN 0.443 nan 8.310 nan 0.000 0.481 182 L N 3.659 124.712 121.223 -0.284 0.000 2.401 182 L HA 0.598 4.938 4.340 -0.000 0.000 0.266 182 L C -0.534 176.238 176.870 -0.164 0.000 0.991 182 L CA -0.697 54.040 54.840 -0.172 0.000 0.818 182 L CB 2.280 44.265 42.059 -0.122 0.000 1.321 182 L HN 0.616 nan 8.230 nan 0.000 0.413 183 Q N 1.764 121.496 119.800 -0.113 0.000 2.325 183 Q HA 0.415 4.754 4.340 -0.000 0.000 0.270 183 Q C -1.296 174.659 176.000 -0.075 0.000 1.020 183 Q CA -0.696 55.053 55.803 -0.091 0.000 0.785 183 Q CB 2.343 31.036 28.738 -0.075 0.000 1.259 183 Q HN 0.479 nan 8.270 nan 0.000 0.452 184 V N 5.739 125.608 119.914 -0.074 0.000 2.458 184 V HA -0.065 4.055 4.120 -0.000 0.000 0.287 184 V C 0.841 176.892 176.094 -0.072 0.000 1.009 184 V CA 0.678 62.930 62.300 -0.080 0.000 1.091 184 V CB 0.441 32.211 31.823 -0.088 0.000 0.960 184 V HN 0.824 nan 8.190 nan 0.000 0.476 185 K N 3.381 123.739 120.400 -0.070 0.000 2.287 185 K HA 0.155 4.475 4.320 -0.000 0.000 0.199 185 K C 0.653 177.213 176.600 -0.066 0.000 1.061 185 K CA 0.377 56.630 56.287 -0.057 0.000 0.976 185 K CB 0.655 33.130 32.500 -0.042 0.000 0.898 185 K HN 0.684 nan 8.250 nan 0.000 0.492 186 Q N 1.357 121.103 119.800 -0.090 0.000 2.292 186 Q HA 0.158 4.498 4.340 -0.000 0.000 0.270 186 Q C -1.155 174.707 176.000 -0.230 0.000 1.024 186 Q CA -0.281 55.451 55.803 -0.118 0.000 0.768 186 Q CB 1.887 30.584 28.738 -0.069 0.000 1.250 186 Q HN -0.114 nan 8.270 nan 0.000 0.447 187 K N 3.453 123.713 120.400 -0.233 0.000 2.518 187 K HA 0.275 4.595 4.320 -0.000 0.000 0.244 187 K C -0.050 176.301 176.600 -0.414 0.000 1.232 187 K CA -0.142 55.961 56.287 -0.307 0.000 1.189 187 K CB -0.143 32.242 32.500 -0.193 0.000 1.737 187 K HN 0.755 nan 8.250 nan 0.000 0.333 188 G N 2.488 110.811 108.800 -0.795 0.000 2.664 188 G HA2 0.107 4.066 3.960 -0.000 0.000 0.242 188 G HA3 0.107 4.066 3.960 -0.000 0.000 0.242 188 G C -2.547 172.019 174.900 -0.557 0.000 1.225 188 G CA -1.068 43.523 45.100 -0.848 0.000 0.849 188 G HN 0.349 nan 8.290 nan 0.000 0.581 189 P HA 0.209 nan 4.420 nan 0.000 0.276 189 P C -0.129 177.294 177.300 0.206 0.000 1.264 189 P CA 0.422 63.552 63.100 0.050 0.000 0.769 189 P CB 0.931 32.685 31.700 0.089 0.000 0.840 190 D N 2.224 122.674 120.400 0.083 0.000 3.099 190 D HA -0.180 4.460 4.640 -0.000 0.000 0.213 190 D C -0.671 175.778 176.300 0.248 0.000 1.121 190 D CA 1.421 55.498 54.000 0.129 0.000 0.951 190 D CB -1.582 39.305 40.800 0.144 0.000 1.102 190 D HN 0.320 nan 8.370 nan 0.000 0.423 191 F N -2.304 117.606 119.950 -0.066 0.000 2.900 191 F HA 0.681 5.208 4.527 -0.000 0.000 0.321 191 F C -2.236 173.519 175.800 -0.075 0.000 1.160 191 F CA -1.407 56.550 58.000 -0.072 0.000 0.890 191 F CB 0.759 39.725 39.000 -0.058 0.000 1.334 191 F HN -0.145 nan 8.300 nan 0.000 0.459 192 L N 2.586 123.698 121.223 -0.185 0.000 2.493 192 L HA 0.574 4.914 4.340 -0.000 0.000 0.265 192 L C -0.951 175.869 176.870 -0.083 0.000 0.954 192 L CA -0.832 53.831 54.840 -0.296 0.000 0.844 192 L CB 1.480 43.425 42.059 -0.190 0.000 1.302 192 L HN 0.697 nan 8.230 nan 0.000 0.405 193 V N 2.384 122.237 119.914 -0.102 0.000 2.407 193 V HA 0.730 4.850 4.120 -0.000 0.000 0.278 193 V C 0.634 176.703 176.094 -0.042 0.000 1.037 193 V CA -0.194 62.111 62.300 0.009 0.000 0.900 193 V CB 1.757 33.612 31.823 0.053 0.000 0.983 193 V HN 1.004 nan 8.190 nan 0.000 0.459 194 T N 1.487 116.022 114.554 -0.032 0.000 2.858 194 T HA 0.726 5.076 4.350 -0.000 0.000 0.285 194 T C -0.857 173.817 174.700 -0.043 0.000 1.052 194 T CA -0.790 61.281 62.100 -0.049 0.000 1.009 194 T CB 2.425 71.258 68.868 -0.059 0.000 1.241 194 T HN 0.652 nan 8.240 nan 0.000 0.542 195 E N 0.146 120.314 120.200 -0.052 0.000 2.256 195 E HA 0.504 4.854 4.350 -0.000 0.000 0.268 195 E C -1.347 175.215 176.600 -0.063 0.000 0.877 195 E CA -1.058 55.312 56.400 -0.050 0.000 0.757 195 E CB 2.536 32.209 29.700 -0.044 0.000 1.183 195 E HN 0.618 nan 8.360 nan 0.000 0.418 196 V N 5.196 125.074 119.914 -0.061 0.000 2.470 196 V HA 0.100 4.220 4.120 -0.000 0.000 0.276 196 V C 0.496 176.550 176.094 -0.068 0.000 1.040 196 V CA 0.686 62.944 62.300 -0.071 0.000 1.008 196 V CB 0.999 32.782 31.823 -0.068 0.000 0.990 196 V HN 0.870 nan 8.190 nan 0.000 0.477 197 E N 4.487 124.637 120.200 -0.083 0.000 2.038 197 E HA 0.085 4.434 4.350 -0.000 0.000 0.190 197 E C 0.292 176.860 176.600 -0.054 0.000 0.967 197 E CA 0.585 56.943 56.400 -0.069 0.000 0.816 197 E CB 0.189 29.835 29.700 -0.090 0.000 0.784 197 E HN 0.800 nan 8.360 nan 0.000 0.456 198 N N -0.557 118.105 118.700 -0.064 0.000 3.124 198 N HA 0.329 5.069 4.740 -0.000 0.000 0.350 198 N C 0.266 175.757 175.510 -0.031 0.000 1.411 198 N CA 0.295 53.327 53.050 -0.031 0.000 0.729 198 N CB 0.240 38.725 38.487 -0.003 0.000 1.379 198 N HN 0.211 nan 8.380 nan 0.000 0.599 199 G N -1.708 107.092 108.800 0.000 0.000 2.916 199 G HA2 0.035 3.995 3.960 -0.000 0.000 0.533 199 G HA3 0.035 3.995 3.960 -0.000 0.000 0.533 199 G C 0.307 175.192 174.900 -0.025 0.000 1.516 199 G CA 0.223 45.328 45.100 0.008 0.000 0.944 199 G HN 0.867 nan 8.290 nan 0.000 0.555 200 G N -1.112 107.675 108.800 -0.021 0.000 2.579 200 G HA2 0.503 4.463 3.960 -0.000 0.000 0.160 200 G HA3 0.503 4.463 3.960 -0.000 0.000 0.160 200 G C -0.108 174.623 174.900 -0.281 0.000 1.386 200 G CA -0.051 44.958 45.100 -0.152 0.000 0.713 200 G HN 0.774 nan 8.290 nan 0.000 0.688 201 F N 2.146 122.110 119.950 0.023 0.000 2.411 201 F HA 0.575 5.101 4.527 -0.000 0.000 0.355 201 F C 0.065 175.884 175.800 0.031 0.000 1.117 201 F CA -0.711 57.304 58.000 0.025 0.000 1.139 201 F CB 1.888 40.903 39.000 0.024 0.000 1.120 201 F HN -0.009 nan 8.300 nan 0.000 0.493 202 L N 4.283 125.600 121.223 0.157 0.000 2.307 202 L HA 0.707 5.047 4.340 -0.000 0.000 0.284 202 L C 0.070 177.018 176.870 0.130 0.000 1.023 202 L CA 0.092 55.004 54.840 0.120 0.000 0.810 202 L CB 0.935 43.037 42.059 0.071 0.000 1.231 202 L HN 0.702 nan 8.230 nan 0.000 0.423 203 G N 3.345 112.213 108.800 0.114 0.000 2.736 203 G HA2 0.484 4.444 3.960 -0.000 0.000 0.229 203 G HA3 0.484 4.444 3.960 -0.000 0.000 0.229 203 G C -0.830 174.125 174.900 0.091 0.000 1.380 203 G CA -0.414 44.744 45.100 0.096 0.000 1.040 203 G HN 0.636 nan 8.290 nan 0.000 0.568 204 S N 0.042 115.788 115.700 0.078 0.000 2.608 204 S HA 0.447 4.917 4.470 -0.000 0.000 0.291 204 S C -0.118 174.542 174.600 0.100 0.000 1.146 204 S CA -0.612 57.639 58.200 0.085 0.000 1.043 204 S CB 1.453 64.690 63.200 0.061 0.000 1.037 204 S HN 0.500 nan 8.310 nan 0.000 0.520 205 K N 0.552 121.031 120.400 0.132 0.000 3.071 205 K HA -0.134 4.185 4.320 -0.000 0.000 0.262 205 K C -0.440 176.253 176.600 0.156 0.000 0.977 205 K CA 0.672 57.055 56.287 0.160 0.000 0.721 205 K CB -1.081 31.509 32.500 0.151 0.000 1.293 205 K HN 0.450 nan 8.250 nan 0.000 0.475 206 K N -0.069 120.414 120.400 0.139 0.000 2.102 206 K HA 0.294 4.614 4.320 -0.000 0.000 0.244 206 K C 1.066 177.746 176.600 0.132 0.000 1.021 206 K CA 0.046 56.411 56.287 0.130 0.000 0.913 206 K CB 0.527 33.095 32.500 0.114 0.000 1.062 206 K HN 0.289 nan 8.250 nan 0.000 0.485 207 G N -0.082 108.796 108.800 0.130 0.000 2.432 207 G HA2 0.412 4.372 3.960 -0.000 0.000 0.257 207 G HA3 0.412 4.372 3.960 -0.000 0.000 0.257 207 G C -0.775 174.190 174.900 0.109 0.000 1.238 207 G CA -0.419 44.755 45.100 0.123 0.000 0.838 207 G HN 0.195 nan 8.290 nan 0.000 0.547 208 V N 2.455 122.421 119.914 0.086 0.000 2.588 208 V HA 0.394 4.514 4.120 -0.000 0.000 0.304 208 V C -0.791 175.339 176.094 0.060 0.000 1.042 208 V CA -1.061 61.286 62.300 0.079 0.000 0.877 208 V CB 2.005 33.861 31.823 0.055 0.000 0.996 208 V HN 0.772 nan 8.190 nan 0.000 0.425 209 N N 3.888 122.652 118.700 0.107 0.000 2.258 209 N HA 0.680 5.420 4.740 -0.000 0.000 0.299 209 N C -1.145 174.443 175.510 0.129 0.000 1.047 209 N CA -0.553 52.545 53.050 0.081 0.000 0.814 209 N CB 2.059 40.592 38.487 0.076 0.000 1.413 209 N HN 0.402 nan 8.380 nan 0.000 0.478 210 L N 3.524 124.786 121.223 0.064 0.000 2.709 210 L HA 0.390 4.730 4.340 -0.000 0.000 0.236 210 L C -1.319 175.586 176.870 0.058 0.000 1.266 210 L CA -1.845 53.045 54.840 0.082 0.000 0.987 210 L CB 0.536 42.633 42.059 0.063 0.000 1.306 210 L HN 0.512 nan 8.230 nan 0.000 0.467 211 P HA -0.162 nan 4.420 nan 0.000 0.217 211 P C 1.103 178.418 177.300 0.025 0.000 1.148 211 P CA 1.281 64.397 63.100 0.027 0.000 0.834 211 P CB 0.421 32.107 31.700 -0.024 0.000 0.783 212 G N -1.417 107.408 108.800 0.042 0.000 3.371 212 G HA2 0.450 4.410 3.960 -0.000 0.000 0.248 212 G HA3 0.450 4.410 3.960 -0.000 0.000 0.248 212 G C 0.443 175.345 174.900 0.002 0.000 1.161 212 G CA 0.352 45.460 45.100 0.013 0.000 0.796 212 G HN 0.553 nan 8.290 nan 0.000 0.539 213 A N -0.471 122.355 122.820 0.010 0.000 2.344 213 A HA 0.876 5.196 4.320 -0.000 0.000 0.307 213 A C -0.159 177.427 177.584 0.002 0.000 1.151 213 A CA -0.257 51.786 52.037 0.010 0.000 0.842 213 A CB 1.445 20.464 19.000 0.032 0.000 1.350 213 A HN 0.850 nan 8.150 nan 0.000 0.459 214 A N 0.671 123.498 122.820 0.010 0.000 2.786 214 A HA 0.546 4.866 4.320 -0.000 0.000 0.346 214 A C -0.380 177.217 177.584 0.021 0.000 1.265 214 A CA -0.349 51.691 52.037 0.005 0.000 0.858 214 A CB -0.440 18.562 19.000 0.003 0.000 1.118 214 A HN 0.935 nan 8.150 nan 0.000 0.482 215 V N 2.779 122.686 119.914 -0.011 0.000 2.458 215 V HA -0.046 4.074 4.120 -0.000 0.000 0.287 215 V C 0.887 176.956 176.094 -0.042 0.000 1.009 215 V CA 0.988 63.261 62.300 -0.044 0.000 1.091 215 V CB 0.143 31.814 31.823 -0.254 0.000 0.960 215 V HN 0.932 nan 8.190 nan 0.000 0.476 216 D N 3.724 124.160 120.400 0.059 0.000 2.325 216 D HA 0.074 4.714 4.640 -0.000 0.000 0.234 216 D C 0.378 176.684 176.300 0.010 0.000 1.122 216 D CA -0.132 53.894 54.000 0.043 0.000 0.850 216 D CB -0.107 40.743 40.800 0.083 0.000 0.921 216 D HN 0.459 nan 8.370 nan 0.000 0.513 217 L N 1.153 122.314 121.223 -0.102 0.000 2.467 217 L HA 0.220 4.560 4.340 -0.000 0.000 0.270 217 L C -1.579 175.254 176.870 -0.062 0.000 1.205 217 L CA -1.606 53.164 54.840 -0.117 0.000 0.828 217 L CB 0.179 42.068 42.059 -0.285 0.000 1.101 217 L HN 0.024 nan 8.230 nan 0.000 0.479 218 P HA 0.042 nan 4.420 nan 0.000 0.271 218 P C -0.014 177.286 177.300 0.001 0.000 1.220 218 P CA -0.248 62.850 63.100 -0.002 0.000 0.768 218 P CB 1.348 33.057 31.700 0.014 0.000 0.848 219 A N 4.320 127.147 122.820 0.012 0.000 1.892 219 A HA -0.075 4.245 4.320 -0.000 0.000 0.218 219 A C 1.028 178.636 177.584 0.040 0.000 1.188 219 A CA 1.519 53.574 52.037 0.030 0.000 0.631 219 A CB -0.714 18.303 19.000 0.029 0.000 0.822 219 A HN 0.465 nan 8.150 nan 0.000 0.447 220 V N 1.159 121.093 119.914 0.034 0.000 2.349 220 V HA 0.389 4.509 4.120 -0.000 0.000 0.284 220 V C 0.286 176.402 176.094 0.037 0.000 1.014 220 V CA -0.212 62.111 62.300 0.038 0.000 0.826 220 V CB 0.951 32.795 31.823 0.035 0.000 1.009 220 V HN 0.585 nan 8.190 nan 0.000 0.431 221 S N 2.870 118.595 115.700 0.041 0.000 2.671 221 S HA 0.355 4.824 4.470 -0.000 0.000 0.272 221 S C 1.060 175.689 174.600 0.048 0.000 1.174 221 S CA -0.061 58.163 58.200 0.041 0.000 1.004 221 S CB 1.369 64.593 63.200 0.041 0.000 1.077 221 S HN 0.624 nan 8.310 nan 0.000 0.553 222 E N 0.793 121.022 120.200 0.048 0.000 2.051 222 E HA -0.122 4.228 4.350 -0.000 0.000 0.192 222 E C 1.831 178.468 176.600 0.062 0.000 0.991 222 E CA 1.436 57.867 56.400 0.051 0.000 0.799 222 E CB -0.343 29.384 29.700 0.045 0.000 0.748 222 E HN 0.582 nan 8.360 nan 0.000 0.449 223 K N 0.494 120.933 120.400 0.066 0.000 2.063 223 K HA -0.174 4.146 4.320 -0.000 0.000 0.208 223 K C 1.556 178.223 176.600 0.113 0.000 1.048 223 K CA 1.752 58.089 56.287 0.085 0.000 0.928 223 K CB -0.386 32.164 32.500 0.083 0.000 0.713 223 K HN 0.214 nan 8.250 nan 0.000 0.442 224 D N 0.753 121.206 120.400 0.089 0.000 2.078 224 D HA -0.145 4.495 4.640 -0.000 0.000 0.193 224 D C 2.119 178.461 176.300 0.071 0.000 0.990 224 D CA 1.103 55.150 54.000 0.077 0.000 0.827 224 D CB -0.409 40.425 40.800 0.057 0.000 0.975 224 D HN 0.223 nan 8.370 nan 0.000 0.451 225 I N 1.066 121.675 120.570 0.065 0.000 2.185 225 I HA -0.347 3.823 4.170 -0.000 0.000 0.246 225 I C 2.470 178.641 176.117 0.091 0.000 1.088 225 I CA 1.391 62.729 61.300 0.063 0.000 1.347 225 I CB -0.336 37.698 38.000 0.057 0.000 1.041 225 I HN 0.077 nan 8.210 nan 0.000 0.415 226 Q N 0.181 120.056 119.800 0.124 0.000 2.119 226 Q HA -0.187 4.153 4.340 -0.000 0.000 0.201 226 Q C 1.821 177.990 176.000 0.282 0.000 0.972 226 Q CA 1.326 57.245 55.803 0.194 0.000 0.847 226 Q CB -0.091 28.752 28.738 0.176 0.000 0.903 226 Q HN 0.530 nan 8.270 nan 0.000 0.433 227 D N 0.864 121.410 120.400 0.243 0.000 2.097 227 D HA -0.128 4.512 4.640 -0.000 0.000 0.195 227 D C 2.028 178.315 176.300 -0.021 0.000 0.989 227 D CA 0.949 55.045 54.000 0.159 0.000 0.827 227 D CB -0.124 40.728 40.800 0.085 0.000 0.966 227 D HN 0.208 nan 8.370 nan 0.000 0.456 228 L N 0.431 121.639 121.223 -0.026 0.000 2.017 228 L HA -0.186 4.154 4.340 -0.000 0.000 0.208 228 L C 2.430 179.295 176.870 -0.009 0.000 1.073 228 L CA 1.028 55.832 54.840 -0.060 0.000 0.745 228 L CB -0.306 41.734 42.059 -0.031 0.000 0.894 228 L HN -0.094 nan 8.230 nan 0.000 0.432 229 K N -0.110 120.325 120.400 0.058 0.000 2.044 229 K HA -0.243 4.077 4.320 -0.000 0.000 0.210 229 K C 1.883 178.537 176.600 0.088 0.000 1.049 229 K CA 1.701 58.033 56.287 0.076 0.000 0.927 229 K CB -0.624 31.947 32.500 0.119 0.000 0.713 229 K HN 0.133 nan 8.250 nan 0.000 0.443 230 F N 0.279 120.206 119.950 -0.038 0.000 2.171 230 F HA -0.074 4.453 4.527 -0.000 0.000 0.300 230 F C 1.938 177.667 175.800 -0.118 0.000 1.090 230 F CA 1.837 59.782 58.000 -0.090 0.000 1.293 230 F CB -0.721 38.102 39.000 -0.296 0.000 1.013 230 F HN 0.083 nan 8.300 nan 0.000 0.486 231 G N 0.033 108.750 108.800 -0.139 0.000 2.418 231 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.217 231 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.217 231 G C 1.752 176.522 174.900 -0.216 0.000 1.158 231 G CA 1.282 46.238 45.100 -0.240 0.000 0.771 231 G HN 0.335 nan 8.290 nan 0.000 0.545 232 V N 0.590 120.420 119.914 -0.140 0.000 2.287 232 V HA -0.156 3.964 4.120 -0.000 0.000 0.248 232 V C 2.804 178.821 176.094 -0.129 0.000 1.053 232 V CA 2.092 64.330 62.300 -0.103 0.000 1.027 232 V CB -0.416 31.375 31.823 -0.053 0.000 0.646 232 V HN 0.236 nan 8.190 nan 0.000 0.447 233 E N 0.132 120.238 120.200 -0.156 0.000 2.058 233 E HA -0.201 4.149 4.350 -0.000 0.000 0.194 233 E C 2.273 178.726 176.600 -0.244 0.000 0.997 233 E CA 1.287 57.585 56.400 -0.171 0.000 0.801 233 E CB -0.324 29.275 29.700 -0.167 0.000 0.746 233 E HN 0.545 nan 8.360 nan 0.000 0.450 234 Q N 0.342 119.898 119.800 -0.407 0.000 2.482 234 Q HA -0.047 4.293 4.340 -0.000 0.000 0.209 234 Q C -0.199 175.677 176.000 -0.205 0.000 0.961 234 Q CA 0.578 56.160 55.803 -0.369 0.000 0.945 234 Q CB -0.092 28.307 28.738 -0.566 0.000 1.012 234 Q HN 0.232 nan 8.270 nan 0.000 0.515 235 D N 0.060 120.359 120.400 -0.168 0.000 2.705 235 D HA -0.146 4.494 4.640 -0.000 0.000 0.240 235 D C -0.362 175.884 176.300 -0.090 0.000 1.137 235 D CA 0.509 54.447 54.000 -0.103 0.000 0.677 235 D CB -1.181 39.576 40.800 -0.071 0.000 1.049 235 D HN 0.127 nan 8.370 nan 0.000 0.427 236 V N -2.066 117.778 119.914 -0.117 0.000 2.881 236 V HA 0.347 4.467 4.120 -0.000 0.000 0.303 236 V C 1.416 177.463 176.094 -0.078 0.000 1.070 236 V CA 0.195 62.430 62.300 -0.109 0.000 1.074 236 V CB 1.498 33.225 31.823 -0.159 0.000 1.012 236 V HN 0.097 nan 8.190 nan 0.000 0.482 237 D N 2.669 123.031 120.400 -0.063 0.000 2.249 237 D HA 0.130 4.770 4.640 -0.000 0.000 0.205 237 D C 0.664 176.942 176.300 -0.037 0.000 0.962 237 D CA 1.565 55.550 54.000 -0.024 0.000 0.860 237 D CB 0.384 41.192 40.800 0.014 0.000 0.955 237 D HN 0.819 nan 8.370 nan 0.000 0.505 238 M N -1.289 118.247 119.600 -0.106 0.000 2.578 238 M HA 0.513 4.993 4.480 -0.000 0.000 0.276 238 M C -1.704 174.458 176.300 -0.229 0.000 1.245 238 M CA -0.951 54.283 55.300 -0.110 0.000 0.871 238 M CB 3.017 35.595 32.600 -0.037 0.000 1.722 238 M HN -0.434 nan 8.290 nan 0.000 0.473 239 V N 2.226 122.064 119.914 -0.127 0.000 2.487 239 V HA 0.522 4.642 4.120 -0.000 0.000 0.298 239 V C -1.377 174.763 176.094 0.077 0.000 1.028 239 V CA -0.374 61.840 62.300 -0.142 0.000 0.860 239 V CB 1.856 33.628 31.823 -0.086 0.000 0.991 239 V HN 0.681 nan 8.190 nan 0.000 0.427 240 F N 3.643 123.551 119.950 -0.071 0.000 2.351 240 F HA 0.586 5.113 4.527 -0.000 0.000 0.362 240 F C 0.843 176.601 175.800 -0.070 0.000 1.131 240 F CA -1.542 56.419 58.000 -0.065 0.000 1.187 240 F CB 0.714 39.680 39.000 -0.057 0.000 1.434 240 F HN 0.528 nan 8.300 nan 0.000 0.553 241 A N 2.631 125.519 122.820 0.113 0.000 2.396 241 A HA 0.440 4.760 4.320 -0.000 0.000 0.279 241 A C 0.661 178.249 177.584 0.006 0.000 1.165 241 A CA -0.154 51.908 52.037 0.043 0.000 0.824 241 A CB -0.136 18.879 19.000 0.026 0.000 1.100 241 A HN 0.568 nan 8.150 nan 0.000 0.516 242 S N 1.356 117.052 115.700 -0.006 0.000 2.593 242 S HA 0.390 4.860 4.470 -0.000 0.000 0.269 242 S C 0.204 174.785 174.600 -0.033 0.000 1.334 242 S CA -0.155 57.972 58.200 -0.120 0.000 1.015 242 S CB -0.215 62.920 63.200 -0.109 0.000 0.912 242 S HN 0.725 nan 8.310 nan 0.000 0.541 243 F N -0.872 119.078 119.950 0.000 0.000 3.054 243 F HA -0.211 4.316 4.527 -0.000 0.000 0.264 243 F C 0.556 176.349 175.800 -0.011 0.000 0.956 243 F CA -0.024 57.971 58.000 -0.009 0.000 0.882 243 F CB -2.079 36.910 39.000 -0.019 0.000 0.841 243 F HN 0.544 nan 8.300 nan 0.000 0.720 244 I N -0.323 120.297 120.570 0.084 0.000 2.618 244 I HA 0.231 4.401 4.170 -0.000 0.000 0.284 244 I C 1.245 177.395 176.117 0.055 0.000 1.146 244 I CA -0.059 61.274 61.300 0.054 0.000 1.425 244 I CB 1.005 39.008 38.000 0.006 0.000 1.383 244 I HN 0.295 nan 8.210 nan 0.000 0.562 245 R N 4.738 125.266 120.500 0.046 0.000 2.508 245 R HA 0.440 4.779 4.340 -0.000 0.000 0.300 245 R C -0.484 175.824 176.300 0.014 0.000 0.970 245 R CA -0.619 55.507 56.100 0.044 0.000 1.102 245 R CB -0.021 30.313 30.300 0.057 0.000 1.246 245 R HN 0.818 nan 8.270 nan 0.000 0.539 246 K N -2.089 118.299 120.400 -0.020 0.000 2.736 246 K HA 0.456 4.776 4.320 -0.000 0.000 0.290 246 K C -0.158 176.374 176.600 -0.114 0.000 1.033 246 K CA -0.347 55.910 56.287 -0.050 0.000 0.852 246 K CB 0.594 33.078 32.500 -0.028 0.000 1.494 246 K HN -0.157 nan 8.250 nan 0.000 0.378 247 A N 1.315 124.038 122.820 -0.162 0.000 1.903 247 A HA -0.225 4.095 4.320 -0.000 0.000 0.219 247 A C 2.322 179.639 177.584 -0.446 0.000 1.191 247 A CA 3.028 54.866 52.037 -0.332 0.000 0.638 247 A CB -1.303 17.536 19.000 -0.268 0.000 0.823 247 A HN 0.945 nan 8.150 nan 0.000 0.451 248 A N -0.062 122.650 122.820 -0.179 0.000 1.917 248 A HA -0.281 4.038 4.320 -0.000 0.000 0.219 248 A C 1.765 179.321 177.584 -0.046 0.000 1.182 248 A CA 2.235 54.249 52.037 -0.039 0.000 0.633 248 A CB -0.797 18.214 19.000 0.018 0.000 0.819 248 A HN 0.523 nan 8.150 nan 0.000 0.448 249 D N -0.263 120.099 120.400 -0.064 0.000 2.092 249 D HA -0.129 4.511 4.640 -0.000 0.000 0.193 249 D C 2.058 178.332 176.300 -0.043 0.000 0.994 249 D CA 1.650 55.632 54.000 -0.031 0.000 0.828 249 D CB -0.740 40.048 40.800 -0.020 0.000 0.963 249 D HN 0.225 nan 8.370 nan 0.000 0.450 250 V N 0.684 120.527 119.914 -0.119 0.000 2.392 250 V HA -0.277 3.842 4.120 -0.000 0.000 0.249 250 V C 2.048 178.134 176.094 -0.015 0.000 1.059 250 V CA 1.851 64.089 62.300 -0.103 0.000 1.051 250 V CB -0.772 30.940 31.823 -0.186 0.000 0.658 250 V HN 0.373 nan 8.190 nan 0.000 0.455 251 H N -0.510 118.557 119.070 -0.005 0.000 2.389 251 H HA -0.126 4.430 4.556 -0.000 0.000 0.299 251 H C 2.478 177.807 175.328 0.001 0.000 1.081 251 H CA 1.318 57.364 56.048 -0.003 0.000 1.345 251 H CB 0.173 29.932 29.762 -0.005 0.000 1.393 251 H HN 0.489 nan 8.280 nan 0.000 0.520 252 E N 0.349 120.622 120.200 0.121 0.000 2.051 252 E HA -0.148 4.202 4.350 -0.000 0.000 0.192 252 E C 2.321 178.953 176.600 0.054 0.000 0.991 252 E CA 1.143 57.586 56.400 0.072 0.000 0.799 252 E CB 0.124 29.854 29.700 0.050 0.000 0.748 252 E HN 0.193 nan 8.360 nan 0.000 0.449 253 V N 0.923 120.864 119.914 0.045 0.000 2.343 253 V HA -0.262 3.857 4.120 -0.000 0.000 0.247 253 V C 2.372 178.486 176.094 0.033 0.000 1.051 253 V CA 1.909 64.227 62.300 0.030 0.000 1.036 253 V CB -0.437 31.398 31.823 0.019 0.000 0.654 253 V HN 0.146 nan 8.190 nan 0.000 0.451 254 R N 0.851 121.383 120.500 0.054 0.000 2.091 254 R HA -0.188 4.152 4.340 -0.000 0.000 0.238 254 R C 2.292 178.614 176.300 0.037 0.000 1.136 254 R CA 2.039 58.171 56.100 0.052 0.000 0.959 254 R CB -0.545 29.809 30.300 0.090 0.000 0.856 254 R HN 0.500 nan 8.270 nan 0.000 0.437 255 K N -0.496 119.929 120.400 0.042 0.000 2.057 255 K HA -0.113 4.207 4.320 -0.000 0.000 0.207 255 K C 1.785 178.399 176.600 0.023 0.000 1.049 255 K CA 1.554 57.858 56.287 0.027 0.000 0.931 255 K CB -0.116 32.402 32.500 0.030 0.000 0.714 255 K HN 0.095 nan 8.250 nan 0.000 0.440 256 I N 1.224 121.809 120.570 0.025 0.000 2.226 256 I HA -0.240 3.930 4.170 -0.000 0.000 0.245 256 I C 1.947 178.073 176.117 0.015 0.000 1.100 256 I CA 0.873 62.186 61.300 0.022 0.000 1.374 256 I CB -0.409 37.606 38.000 0.024 0.000 1.057 256 I HN 0.150 nan 8.210 nan 0.000 0.413 257 L N 0.291 121.520 121.223 0.009 0.000 2.187 257 L HA -0.006 4.334 4.340 -0.000 0.000 0.213 257 L C 1.748 178.620 176.870 0.004 0.000 1.100 257 L CA 1.418 56.258 54.840 -0.000 0.000 0.765 257 L CB -1.755 40.301 42.059 -0.004 0.000 0.904 257 L HN 0.469 nan 8.230 nan 0.000 0.437 258 G N -0.585 108.221 108.800 0.009 0.000 2.602 258 G HA2 -0.487 3.473 3.960 -0.000 0.000 0.306 258 G HA3 -0.487 3.473 3.960 -0.000 0.000 0.306 258 G C 0.947 175.851 174.900 0.006 0.000 1.301 258 G CA 0.838 45.943 45.100 0.009 0.000 0.974 258 G HN 0.319 nan 8.290 nan 0.000 0.547 259 E N -0.021 120.183 120.200 0.005 0.000 2.046 259 E HA -0.008 4.342 4.350 -0.000 0.000 0.190 259 E C 2.444 179.046 176.600 0.004 0.000 0.982 259 E CA 2.004 58.407 56.400 0.005 0.000 0.800 259 E CB -0.279 29.423 29.700 0.004 0.000 0.756 259 E HN 0.559 nan 8.360 nan 0.000 0.449 260 K N -0.970 119.431 120.400 0.001 0.000 2.211 260 K HA -0.035 4.285 4.320 -0.000 0.000 0.203 260 K C 1.324 177.920 176.600 -0.006 0.000 1.050 260 K CA 1.295 57.581 56.287 -0.003 0.000 0.945 260 K CB -0.214 32.283 32.500 -0.004 0.000 0.732 260 K HN 0.212 nan 8.250 nan 0.000 0.451 261 G N 1.167 109.963 108.800 -0.006 0.000 3.605 261 G HA2 -0.016 3.944 3.960 -0.000 0.000 0.277 261 G HA3 -0.016 3.944 3.960 -0.000 0.000 0.277 261 G C 0.778 175.678 174.900 -0.000 0.000 1.093 261 G CA -0.372 44.722 45.100 -0.010 0.000 0.821 261 G HN 0.341 nan 8.290 nan 0.000 0.532 262 K N 0.196 120.600 120.400 0.006 0.000 2.113 262 K HA -0.143 4.177 4.320 -0.000 0.000 0.208 262 K C 1.341 177.953 176.600 0.020 0.000 1.047 262 K CA 1.503 57.798 56.287 0.013 0.000 0.928 262 K CB -0.337 32.171 32.500 0.014 0.000 0.716 262 K HN 0.313 nan 8.250 nan 0.000 0.446 263 N N 0.559 119.271 118.700 0.020 0.000 2.398 263 N HA 0.143 4.883 4.740 -0.000 0.000 0.188 263 N C -0.179 175.349 175.510 0.030 0.000 1.122 263 N CA -0.253 52.816 53.050 0.032 0.000 0.866 263 N CB 0.132 38.639 38.487 0.035 0.000 0.970 263 N HN 0.150 nan 8.380 nan 0.000 0.462 264 I N 2.193 122.771 120.570 0.014 0.000 2.452 264 I HA 0.018 4.188 4.170 -0.000 0.000 0.287 264 I C 0.163 176.290 176.117 0.016 0.000 1.079 264 I CA -0.235 61.067 61.300 0.003 0.000 1.387 264 I CB 0.485 38.471 38.000 -0.023 0.000 1.404 264 I HN -0.107 nan 8.210 nan 0.000 0.522 265 K N 7.628 128.045 120.400 0.029 0.000 2.368 265 K HA 0.398 4.717 4.320 -0.000 0.000 0.282 265 K C -0.312 176.312 176.600 0.040 0.000 1.035 265 K CA -0.139 56.173 56.287 0.041 0.000 0.973 265 K CB 0.976 33.511 32.500 0.058 0.000 0.957 265 K HN 0.514 nan 8.250 nan 0.000 0.474 266 I N 4.618 125.210 120.570 0.038 0.000 2.315 266 I HA 0.173 4.342 4.170 -0.000 0.000 0.291 266 I C 0.069 176.217 176.117 0.051 0.000 1.006 266 I CA -0.672 60.655 61.300 0.044 0.000 1.265 266 I CB 0.828 38.843 38.000 0.025 0.000 1.387 266 I HN 0.188 nan 8.210 nan 0.000 0.475 267 I N 5.468 126.104 120.570 0.110 0.000 2.337 267 I HA 0.195 4.365 4.170 -0.000 0.000 0.285 267 I C 0.450 176.579 176.117 0.020 0.000 1.041 267 I CA -0.112 61.226 61.300 0.064 0.000 1.199 267 I CB 0.807 38.870 38.000 0.105 0.000 1.370 267 I HN 0.461 nan 8.210 nan 0.000 0.470 268 S N 6.181 121.869 115.700 -0.020 0.000 2.531 268 S HA 0.198 4.668 4.470 -0.000 0.000 0.279 268 S C 0.374 174.944 174.600 -0.051 0.000 1.305 268 S CA -0.262 57.921 58.200 -0.029 0.000 1.058 268 S CB 0.589 63.765 63.200 -0.040 0.000 0.899 268 S HN 0.381 nan 8.310 nan 0.000 0.493 269 K N 2.824 123.183 120.400 -0.068 0.000 2.211 269 K HA 0.357 4.677 4.320 -0.000 0.000 0.275 269 K C -0.694 175.850 176.600 -0.093 0.000 1.024 269 K CA -0.483 55.731 56.287 -0.121 0.000 0.887 269 K CB 0.692 33.085 32.500 -0.179 0.000 1.084 269 K HN 0.402 nan 8.250 nan 0.000 0.463 270 I N 4.680 125.206 120.570 -0.074 0.000 2.291 270 I HA 0.061 4.231 4.170 -0.000 0.000 0.290 270 I C 0.666 176.736 176.117 -0.078 0.000 1.050 270 I CA 0.169 61.447 61.300 -0.037 0.000 1.245 270 I CB 0.578 38.572 38.000 -0.010 0.000 1.405 270 I HN 0.782 nan 8.210 nan 0.000 0.478 271 E N 4.433 124.600 120.200 -0.056 0.000 2.846 271 E HA 0.189 4.539 4.350 -0.000 0.000 0.211 271 E C -0.595 176.060 176.600 0.092 0.000 0.975 271 E CA -0.504 55.873 56.400 -0.039 0.000 1.211 271 E CB 0.345 29.927 29.700 -0.197 0.000 1.052 271 E HN 0.646 nan 8.360 nan 0.000 0.487 272 N N -0.707 118.048 118.700 0.092 0.000 2.591 272 N HA 0.042 4.782 4.740 -0.000 0.000 0.263 272 N C 0.289 175.850 175.510 0.085 0.000 1.308 272 N CA -0.762 52.357 53.050 0.115 0.000 0.837 272 N CB 0.641 39.229 38.487 0.168 0.000 1.548 272 N HN -0.124 nan 8.380 nan 0.000 0.493 273 H N 0.058 119.135 119.070 0.011 0.000 2.357 273 H HA -0.181 4.375 4.556 -0.000 0.000 0.296 273 H C 1.110 176.442 175.328 0.008 0.000 1.108 273 H CA 2.639 58.686 56.048 -0.003 0.000 1.273 273 H CB 0.266 30.023 29.762 -0.009 0.000 1.367 273 H HN 0.842 nan 8.280 nan 0.000 0.498 274 E N -0.236 120.090 120.200 0.209 0.000 2.077 274 E HA -0.085 4.265 4.350 -0.000 0.000 0.193 274 E C 2.553 179.209 176.600 0.094 0.000 0.989 274 E CA 1.507 57.994 56.400 0.146 0.000 0.800 274 E CB -0.772 28.984 29.700 0.093 0.000 0.746 274 E HN 0.518 nan 8.360 nan 0.000 0.452 275 G N -0.162 108.686 108.800 0.080 0.000 2.432 275 G HA2 -0.197 3.762 3.960 -0.000 0.000 0.219 275 G HA3 -0.197 3.762 3.960 -0.000 0.000 0.219 275 G C 1.639 176.589 174.900 0.083 0.000 1.135 275 G CA 0.957 46.101 45.100 0.074 0.000 0.767 275 G HN 0.260 nan 8.290 nan 0.000 0.550 276 V N 0.170 120.089 119.914 0.008 0.000 2.453 276 V HA -0.034 4.086 4.120 -0.000 0.000 0.247 276 V C 2.692 178.775 176.094 -0.018 0.000 1.048 276 V CA 1.762 64.027 62.300 -0.058 0.000 1.049 276 V CB -0.346 31.349 31.823 -0.213 0.000 0.672 276 V HN 0.353 nan 8.190 nan 0.000 0.457 277 R N 0.256 120.752 120.500 -0.008 0.000 2.115 277 R HA -0.020 4.320 4.340 -0.000 0.000 0.226 277 R C 1.864 178.203 176.300 0.064 0.000 1.100 277 R CA 0.938 57.060 56.100 0.036 0.000 0.980 277 R CB 0.085 30.453 30.300 0.113 0.000 0.875 277 R HN 0.357 nan 8.270 nan 0.000 0.445 278 R N -0.296 120.247 120.500 0.072 0.000 2.466 278 R HA 0.021 4.361 4.340 -0.000 0.000 0.279 278 R C 1.109 177.438 176.300 0.047 0.000 0.976 278 R CA -0.184 55.944 56.100 0.046 0.000 1.081 278 R CB -0.027 30.287 30.300 0.023 0.000 1.215 278 R HN 0.186 nan 8.270 nan 0.000 0.546 279 F N 2.938 122.859 119.950 -0.048 0.000 2.063 279 F HA -0.297 4.230 4.527 -0.000 0.000 0.298 279 F C 1.450 177.219 175.800 -0.052 0.000 1.109 279 F CA 1.939 59.905 58.000 -0.057 0.000 1.212 279 F CB 0.035 38.993 39.000 -0.068 0.000 0.973 279 F HN -0.018 nan 8.300 nan 0.000 0.480 280 D N 0.284 120.597 120.400 -0.145 0.000 2.126 280 D HA -0.274 4.366 4.640 -0.000 0.000 0.190 280 D C 2.187 178.323 176.300 -0.272 0.000 1.001 280 D CA 2.060 55.920 54.000 -0.233 0.000 0.841 280 D CB -0.701 40.071 40.800 -0.047 0.000 0.949 280 D HN 0.731 nan 8.370 nan 0.000 0.446 281 E N 0.186 120.281 120.200 -0.174 0.000 2.268 281 E HA -0.099 4.251 4.350 -0.000 0.000 0.195 281 E C 2.158 178.637 176.600 -0.202 0.000 0.995 281 E CA 0.560 56.872 56.400 -0.147 0.000 0.836 281 E CB -0.292 29.355 29.700 -0.088 0.000 0.763 281 E HN 0.311 nan 8.360 nan 0.000 0.491 282 I N 0.467 120.877 120.570 -0.267 0.000 2.333 282 I HA -0.160 4.010 4.170 -0.000 0.000 0.246 282 I C 2.343 178.263 176.117 -0.329 0.000 1.106 282 I CA 0.360 61.498 61.300 -0.269 0.000 1.411 282 I CB -0.073 37.794 38.000 -0.223 0.000 1.082 282 I HN 0.172 nan 8.210 nan 0.000 0.420 283 L N 0.824 121.721 121.223 -0.543 0.000 2.131 283 L HA -0.181 4.158 4.340 -0.000 0.000 0.210 283 L C 2.403 179.116 176.870 -0.262 0.000 1.092 283 L CA 1.854 56.397 54.840 -0.494 0.000 0.759 283 L CB -0.765 40.830 42.059 -0.774 0.000 0.903 283 L HN 0.171 nan 8.230 nan 0.000 0.435 284 E N 0.100 120.167 120.200 -0.222 0.000 2.051 284 E HA -0.178 4.172 4.350 -0.000 0.000 0.192 284 E C 2.046 178.602 176.600 -0.072 0.000 0.991 284 E CA 1.404 57.733 56.400 -0.118 0.000 0.799 284 E CB -0.097 29.550 29.700 -0.087 0.000 0.748 284 E HN 0.573 nan 8.360 nan 0.000 0.449 285 A N 0.468 123.233 122.820 -0.091 0.000 2.014 285 A HA 0.014 4.334 4.320 -0.000 0.000 0.218 285 A C 1.577 179.138 177.584 -0.039 0.000 1.163 285 A CA 0.659 52.672 52.037 -0.040 0.000 0.652 285 A CB -0.058 18.825 19.000 -0.195 0.000 0.808 285 A HN 0.204 nan 8.150 nan 0.000 0.449 286 S N -0.015 115.635 115.700 -0.084 0.000 2.681 286 S HA 0.297 4.767 4.470 -0.000 0.000 0.270 286 S C 0.076 174.654 174.600 -0.038 0.000 1.209 286 S CA -0.394 57.771 58.200 -0.058 0.000 0.988 286 S CB 0.738 63.888 63.200 -0.083 0.000 1.006 286 S HN 0.399 nan 8.310 nan 0.000 0.558 287 D N 0.023 120.410 120.400 -0.022 0.000 2.355 287 D HA 0.274 4.914 4.640 -0.000 0.000 0.206 287 D C 0.783 177.051 176.300 -0.054 0.000 1.010 287 D CA 0.523 54.514 54.000 -0.014 0.000 0.875 287 D CB 0.494 41.301 40.800 0.012 0.000 0.966 287 D HN 0.622 nan 8.370 nan 0.000 0.512 288 G N -0.056 108.707 108.800 -0.061 0.000 2.550 288 G HA2 0.506 4.466 3.960 -0.000 0.000 0.293 288 G HA3 0.506 4.466 3.960 -0.000 0.000 0.293 288 G C -1.785 173.075 174.900 -0.067 0.000 1.402 288 G CA -0.475 44.572 45.100 -0.089 0.000 0.784 288 G HN -0.095 nan 8.290 nan 0.000 0.482 289 I N 0.444 120.974 120.570 -0.066 0.000 2.769 289 I HA 0.533 4.703 4.170 -0.000 0.000 0.298 289 I C -0.564 175.485 176.117 -0.112 0.000 1.128 289 I CA -0.743 60.538 61.300 -0.032 0.000 1.031 289 I CB 2.078 40.156 38.000 0.131 0.000 1.235 289 I HN 0.619 nan 8.210 nan 0.000 0.423 290 M N 5.670 125.184 119.600 -0.144 0.000 2.190 290 M HA 0.441 4.921 4.480 -0.000 0.000 0.312 290 M C -1.465 174.739 176.300 -0.159 0.000 0.990 290 M CA -0.703 54.466 55.300 -0.218 0.000 0.927 290 M CB 1.595 33.982 32.600 -0.356 0.000 1.571 290 M HN 0.263 nan 8.290 nan 0.000 0.427 291 V N 5.294 125.120 119.914 -0.147 0.000 2.352 291 V HA 0.225 4.345 4.120 -0.000 0.000 0.253 291 V C 0.739 176.756 176.094 -0.128 0.000 1.083 291 V CA -0.183 62.038 62.300 -0.132 0.000 0.993 291 V CB 0.162 31.909 31.823 -0.126 0.000 1.111 291 V HN 0.883 nan 8.190 nan 0.000 0.490 292 A N 5.535 128.275 122.820 -0.134 0.000 3.091 292 A HA 0.297 4.617 4.320 -0.000 0.000 0.264 292 A C 1.595 179.122 177.584 -0.094 0.000 1.673 292 A CA -0.443 51.516 52.037 -0.130 0.000 1.362 292 A CB -0.510 18.381 19.000 -0.182 0.000 1.137 292 A HN 0.875 nan 8.150 nan 0.000 0.617 293 R N 0.643 121.099 120.500 -0.073 0.000 2.204 293 R HA -0.224 4.116 4.340 -0.000 0.000 0.253 293 R C 2.157 178.439 176.300 -0.030 0.000 1.172 293 R CA 1.569 57.640 56.100 -0.048 0.000 0.994 293 R CB -0.496 29.784 30.300 -0.033 0.000 0.874 293 R HN 0.654 nan 8.270 nan 0.000 0.462 294 G N 1.583 110.366 108.800 -0.027 0.000 2.806 294 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.214 294 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.214 294 G C 0.924 175.832 174.900 0.012 0.000 1.331 294 G CA 1.373 46.472 45.100 -0.002 0.000 0.807 294 G HN 0.260 nan 8.290 nan 0.000 0.644 295 D N 0.116 120.530 120.400 0.022 0.000 2.219 295 D HA -0.071 4.569 4.640 -0.000 0.000 0.205 295 D C 2.463 178.792 176.300 0.049 0.000 0.970 295 D CA 0.599 54.650 54.000 0.085 0.000 0.851 295 D CB -0.092 40.845 40.800 0.228 0.000 0.943 295 D HN 0.170 nan 8.370 nan 0.000 0.488 296 L N 1.307 122.533 121.223 0.004 0.000 2.042 296 L HA -0.048 4.292 4.340 -0.000 0.000 0.210 296 L C 2.154 179.007 176.870 -0.028 0.000 1.076 296 L CA 1.837 56.667 54.840 -0.016 0.000 0.749 296 L CB -0.890 41.139 42.059 -0.052 0.000 0.893 296 L HN -0.007 nan 8.230 nan 0.000 0.432 297 G N -1.453 107.331 108.800 -0.027 0.000 2.848 297 G HA2 -0.024 3.936 3.960 -0.000 0.000 0.208 297 G HA3 -0.024 3.936 3.960 -0.000 0.000 0.208 297 G C 1.377 176.240 174.900 -0.062 0.000 1.152 297 G CA 0.716 45.797 45.100 -0.032 0.000 0.789 297 G HN 0.490 nan 8.290 nan 0.000 0.531 298 I N -0.958 119.566 120.570 -0.077 0.000 3.136 298 I HA 0.101 4.270 4.170 -0.000 0.000 0.262 298 I C 2.216 178.209 176.117 -0.205 0.000 1.132 298 I CA -0.011 61.183 61.300 -0.176 0.000 1.450 298 I CB 0.033 37.967 38.000 -0.111 0.000 1.315 298 I HN -0.055 nan 8.210 nan 0.000 0.460 299 E N 1.892 122.043 120.200 -0.080 0.000 2.130 299 E HA -0.125 4.225 4.350 -0.000 0.000 0.196 299 E C 0.701 177.283 176.600 -0.029 0.000 0.998 299 E CA 1.225 57.604 56.400 -0.035 0.000 0.806 299 E CB -0.114 29.613 29.700 0.045 0.000 0.738 299 E HN 0.563 nan 8.360 nan 0.000 0.459 300 I N -3.369 117.181 120.570 -0.033 0.000 3.002 300 I HA 0.456 4.626 4.170 -0.000 0.000 0.310 300 I C -2.745 173.347 176.117 -0.041 0.000 1.087 300 I CA -3.074 58.222 61.300 -0.007 0.000 1.017 300 I CB 2.193 40.195 38.000 0.004 0.000 1.226 300 I HN -0.368 nan 8.210 nan 0.000 0.443 301 P HA -0.028 nan 4.420 nan 0.000 0.263 301 P C 0.382 177.678 177.300 -0.008 0.000 1.175 301 P CA 0.446 63.539 63.100 -0.013 0.000 0.761 301 P CB 0.815 32.522 31.700 0.011 0.000 0.794 302 A N 4.473 127.292 122.820 -0.002 0.000 1.883 302 A HA -0.234 4.086 4.320 -0.000 0.000 0.217 302 A C 1.603 179.222 177.584 0.059 0.000 1.186 302 A CA 1.774 53.821 52.037 0.017 0.000 0.624 302 A CB -1.088 17.922 19.000 0.018 0.000 0.822 302 A HN 0.616 nan 8.150 nan 0.000 0.444 303 E N 0.463 120.707 120.200 0.074 0.000 2.463 303 E HA -0.107 4.243 4.350 -0.000 0.000 0.201 303 E C 1.317 178.055 176.600 0.230 0.000 1.045 303 E CA 1.237 57.723 56.400 0.142 0.000 0.872 303 E CB -0.221 29.544 29.700 0.108 0.000 0.797 303 E HN 0.678 nan 8.360 nan 0.000 0.538 304 K N -0.015 120.438 120.400 0.088 0.000 2.355 304 K HA 0.162 4.482 4.320 -0.000 0.000 0.198 304 K C 1.436 177.948 176.600 -0.146 0.000 1.039 304 K CA 0.024 56.278 56.287 -0.054 0.000 1.075 304 K CB 0.603 33.055 32.500 -0.080 0.000 0.870 304 K HN -0.026 nan 8.250 nan 0.000 0.540 305 V N 1.959 121.861 119.914 -0.020 0.000 2.255 305 V HA -0.292 3.828 4.120 -0.000 0.000 0.247 305 V C 2.095 178.142 176.094 -0.079 0.000 1.051 305 V CA 2.113 64.382 62.300 -0.051 0.000 1.018 305 V CB -0.662 31.165 31.823 0.006 0.000 0.641 305 V HN 0.382 nan 8.190 nan 0.000 0.445 306 F N 0.301 120.215 119.950 -0.061 0.000 2.184 306 F HA -0.224 4.303 4.527 -0.000 0.000 0.301 306 F C 1.937 177.694 175.800 -0.072 0.000 1.076 306 F CA 1.721 59.685 58.000 -0.060 0.000 1.295 306 F CB -0.992 37.981 39.000 -0.045 0.000 1.026 306 F HN 0.096 nan 8.300 nan 0.000 0.494 307 L N 0.708 121.253 121.223 -1.131 0.000 2.027 307 L HA -0.096 4.244 4.340 -0.000 0.000 0.206 307 L C 3.064 179.674 176.870 -0.434 0.000 1.074 307 L CA 1.174 55.485 54.840 -0.882 0.000 0.745 307 L CB -1.204 40.357 42.059 -0.831 0.000 0.898 307 L HN 0.348 nan 8.230 nan 0.000 0.433 308 A N -0.517 122.089 122.820 -0.357 0.000 1.902 308 A HA -0.277 4.043 4.320 -0.000 0.000 0.217 308 A C 2.263 179.684 177.584 -0.271 0.000 1.181 308 A CA 1.835 53.696 52.037 -0.295 0.000 0.623 308 A CB -0.597 18.251 19.000 -0.253 0.000 0.818 308 A HN 0.503 nan 8.150 nan 0.000 0.443 309 Q N -0.041 119.638 119.800 -0.202 0.000 2.002 309 Q HA -0.244 4.095 4.340 -0.000 0.000 0.204 309 Q C 2.002 177.912 176.000 -0.150 0.000 0.988 309 Q CA 2.123 57.835 55.803 -0.152 0.000 0.843 309 Q CB -0.189 28.506 28.738 -0.072 0.000 0.908 309 Q HN 0.675 nan 8.270 nan 0.000 0.420 310 K N 0.077 120.406 120.400 -0.119 0.000 2.032 310 K HA -0.172 4.148 4.320 -0.000 0.000 0.209 310 K C 2.250 178.769 176.600 -0.136 0.000 1.048 310 K CA 1.558 57.791 56.287 -0.089 0.000 0.927 310 K CB -0.310 32.164 32.500 -0.042 0.000 0.712 310 K HN 0.362 nan 8.250 nan 0.000 0.441 311 M N 1.344 120.826 119.600 -0.196 0.000 2.065 311 M HA -0.203 4.277 4.480 -0.000 0.000 0.259 311 M C 2.042 178.171 176.300 -0.285 0.000 1.069 311 M CA 1.793 56.962 55.300 -0.219 0.000 1.110 311 M CB -0.301 32.146 32.600 -0.255 0.000 1.328 311 M HN 0.145 nan 8.290 nan 0.000 0.405 312 I N 0.344 120.661 120.570 -0.422 0.000 2.127 312 I HA -0.362 3.808 4.170 -0.000 0.000 0.241 312 I C 2.435 178.403 176.117 -0.249 0.000 1.075 312 I CA 1.453 62.398 61.300 -0.593 0.000 1.334 312 I CB -0.519 37.104 38.000 -0.628 0.000 1.040 312 I HN 0.319 nan 8.210 nan 0.000 0.405 313 I N 0.794 121.266 120.570 -0.165 0.000 2.264 313 I HA -0.252 3.918 4.170 -0.000 0.000 0.248 313 I C 2.626 178.715 176.117 -0.046 0.000 1.111 313 I CA 1.590 62.843 61.300 -0.078 0.000 1.382 313 I CB -0.886 37.078 38.000 -0.060 0.000 1.060 313 I HN 0.318 nan 8.210 nan 0.000 0.418 314 G N 0.762 109.525 108.800 -0.062 0.000 2.433 314 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.216 314 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.216 314 G C 1.783 176.682 174.900 -0.002 0.000 1.186 314 G CA 0.390 45.472 45.100 -0.031 0.000 0.779 314 G HN 0.295 nan 8.290 nan 0.000 0.543 315 R N -0.613 119.896 120.500 0.015 0.000 2.115 315 R HA -0.030 4.310 4.340 -0.000 0.000 0.230 315 R C 2.654 179.022 176.300 0.114 0.000 1.111 315 R CA 1.071 57.229 56.100 0.097 0.000 0.976 315 R CB -0.650 29.791 30.300 0.236 0.000 0.870 315 R HN 0.380 nan 8.270 nan 0.000 0.445 316 C N 0.708 120.081 119.300 0.122 0.000 2.429 316 C HA -0.057 4.402 4.460 -0.000 0.000 0.277 316 C C 2.227 177.230 174.990 0.022 0.000 1.262 316 C CA 0.708 59.778 59.018 0.087 0.000 1.733 316 C CB -1.193 26.592 27.740 0.075 0.000 2.010 316 C HN 0.573 nan 8.230 nan 0.000 0.483 317 N N 0.113 118.818 118.700 0.009 0.000 2.104 317 N HA -0.196 4.544 4.740 -0.000 0.000 0.190 317 N C 2.071 177.563 175.510 -0.031 0.000 1.024 317 N CA 0.908 53.952 53.050 -0.010 0.000 0.853 317 N CB -0.285 38.202 38.487 0.001 0.000 1.008 317 N HN 0.498 nan 8.380 nan 0.000 0.424 318 R N 1.046 121.538 120.500 -0.012 0.000 2.148 318 R HA -0.020 4.320 4.340 -0.000 0.000 0.227 318 R C 1.639 177.923 176.300 -0.027 0.000 1.103 318 R CA 1.112 57.200 56.100 -0.019 0.000 0.983 318 R CB 0.001 30.301 30.300 0.001 0.000 0.874 318 R HN 0.175 nan 8.270 nan 0.000 0.451 319 A N -0.644 122.167 122.820 -0.015 0.000 2.095 319 A HA 0.230 4.550 4.320 -0.000 0.000 0.212 319 A C 1.362 178.929 177.584 -0.029 0.000 1.162 319 A CA 0.799 52.825 52.037 -0.019 0.000 0.753 319 A CB 0.164 19.156 19.000 -0.013 0.000 0.840 319 A HN 0.481 nan 8.150 nan 0.000 0.468 320 G N -0.588 108.189 108.800 -0.038 0.000 2.132 320 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.234 320 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.234 320 G C 0.015 174.936 174.900 0.034 0.000 0.989 320 G CA 0.427 45.511 45.100 -0.026 0.000 0.676 320 G HN 0.550 nan 8.290 nan 0.000 0.522 321 K N 0.563 120.960 120.400 -0.004 0.000 2.164 321 K HA 0.504 4.824 4.320 -0.000 0.000 0.258 321 K C -2.630 173.894 176.600 -0.128 0.000 0.951 321 K CA -2.139 54.121 56.287 -0.045 0.000 0.844 321 K CB 1.882 34.353 32.500 -0.048 0.000 1.099 321 K HN -0.040 nan 8.250 nan 0.000 0.435 322 P HA -0.010 nan 4.420 nan 0.000 0.268 322 P C -1.059 176.131 177.300 -0.184 0.000 1.205 322 P CA -0.299 62.594 63.100 -0.345 0.000 0.771 322 P CB 0.660 32.005 31.700 -0.592 0.000 0.858 323 V N 4.894 124.725 119.914 -0.138 0.000 2.709 323 V HA 0.518 4.638 4.120 -0.000 0.000 0.308 323 V C -0.896 175.128 176.094 -0.118 0.000 1.062 323 V CA -0.815 61.423 62.300 -0.102 0.000 0.901 323 V CB 1.375 33.164 31.823 -0.055 0.000 1.003 323 V HN 0.308 nan 8.190 nan 0.000 0.425 324 I N 5.709 126.190 120.570 -0.149 0.000 2.493 324 I HA 0.494 4.664 4.170 -0.000 0.000 0.298 324 I C -0.366 175.669 176.117 -0.136 0.000 0.998 324 I CA -0.485 60.720 61.300 -0.159 0.000 1.137 324 I CB 1.805 39.650 38.000 -0.258 0.000 1.310 324 I HN 0.612 nan 8.210 nan 0.000 0.445 325 C N 5.630 124.870 119.300 -0.100 0.000 2.329 325 C HA 0.910 5.370 4.460 -0.000 0.000 0.329 325 C C 0.213 175.157 174.990 -0.077 0.000 1.275 325 C CA 0.012 58.982 59.018 -0.080 0.000 1.726 325 C CB -0.075 27.636 27.740 -0.049 0.000 2.291 325 C HN 0.899 nan 8.230 nan 0.000 0.514 326 A N 3.868 126.642 122.820 -0.077 0.000 2.566 326 A HA 0.930 5.250 4.320 -0.000 0.000 0.292 326 A C -0.255 177.307 177.584 -0.037 0.000 1.112 326 A CA -0.157 51.844 52.037 -0.060 0.000 0.707 326 A CB 0.979 19.924 19.000 -0.091 0.000 1.302 326 A HN 1.437 nan 8.150 nan 0.000 0.409 327 T N 1.330 115.875 114.554 -0.015 0.000 0.571 327 T HA -0.084 4.266 4.350 -0.000 0.000 0.771 327 T C 0.094 174.800 174.700 0.009 0.000 0.992 327 T CA 0.838 62.939 62.100 0.001 0.000 4.060 327 T CB -1.327 67.537 68.868 -0.007 0.000 2.294 327 T HN 1.624 nan 8.240 nan 0.000 0.396 328 Q N 0.077 119.890 119.800 0.021 0.000 2.468 328 Q HA -0.294 4.046 4.340 -0.000 0.000 0.256 328 Q C 1.543 177.554 176.000 0.019 0.000 0.984 328 Q CA 1.582 57.399 55.803 0.024 0.000 1.110 328 Q CB -1.296 27.456 28.738 0.023 0.000 1.527 328 Q HN 0.845 nan 8.270 nan 0.000 0.535 329 M N -0.645 118.965 119.600 0.017 0.000 2.080 329 M HA -0.161 4.319 4.480 -0.000 0.000 0.260 329 M C 1.008 177.318 176.300 0.017 0.000 1.068 329 M CA 1.493 56.801 55.300 0.014 0.000 1.109 329 M CB -0.013 32.594 32.600 0.012 0.000 1.342 329 M HN 0.159 nan 8.290 nan 0.000 0.405 330 L N -0.333 120.905 121.223 0.024 0.000 3.110 330 L HA 0.165 4.505 4.340 -0.000 0.000 0.266 330 L C 1.313 178.203 176.870 0.033 0.000 1.257 330 L CA 0.291 55.147 54.840 0.026 0.000 1.038 330 L CB -0.317 41.762 42.059 0.032 0.000 1.395 330 L HN 0.084 nan 8.230 nan 0.000 0.566 331 E N 1.080 121.299 120.200 0.032 0.000 2.110 331 E HA -0.360 3.990 4.350 -0.000 0.000 0.225 331 E C 2.267 178.892 176.600 0.042 0.000 1.063 331 E CA 2.438 58.860 56.400 0.037 0.000 0.906 331 E CB -0.180 29.539 29.700 0.032 0.000 0.795 331 E HN 0.475 nan 8.360 nan 0.000 0.479 332 S N -0.587 115.132 115.700 0.032 0.000 2.441 332 S HA -0.238 4.232 4.470 -0.000 0.000 0.242 332 S C 1.929 176.554 174.600 0.041 0.000 1.018 332 S CA 1.695 59.913 58.200 0.031 0.000 0.988 332 S CB -0.482 62.727 63.200 0.015 0.000 0.778 332 S HN 0.392 nan 8.310 nan 0.000 0.498 333 M N 0.473 120.100 119.600 0.045 0.000 2.686 333 M HA 0.209 4.689 4.480 -0.000 0.000 0.246 333 M C 1.421 177.816 176.300 0.159 0.000 1.096 333 M CA 0.525 55.864 55.300 0.066 0.000 1.076 333 M CB -0.450 32.180 32.600 0.050 0.000 1.504 333 M HN 0.391 nan 8.290 nan 0.000 0.524 334 I N 0.109 120.755 120.570 0.125 0.000 2.394 334 I HA -0.261 3.909 4.170 -0.000 0.000 0.251 334 I C 1.951 178.173 176.117 0.176 0.000 1.136 334 I CA 1.094 62.471 61.300 0.129 0.000 1.425 334 I CB -0.214 37.834 38.000 0.079 0.000 1.079 334 I HN 0.232 nan 8.210 nan 0.000 0.425 335 K N 0.295 120.805 120.400 0.184 0.000 2.412 335 K HA 0.295 4.615 4.320 -0.000 0.000 0.202 335 K C 0.152 176.931 176.600 0.298 0.000 1.102 335 K CA 0.266 56.681 56.287 0.212 0.000 1.027 335 K CB 0.778 33.344 32.500 0.111 0.000 0.931 335 K HN 0.215 nan 8.250 nan 0.000 0.557 336 K N 1.320 121.809 120.400 0.149 0.000 2.318 336 K HA 0.248 4.568 4.320 -0.000 0.000 0.249 336 K C -2.051 174.212 176.600 -0.561 0.000 0.942 336 K CA -1.959 54.255 56.287 -0.121 0.000 0.808 336 K CB 2.315 34.768 32.500 -0.077 0.000 1.189 336 K HN -0.292 nan 8.250 nan 0.000 0.428 337 P HA -0.095 nan 4.420 nan 0.000 0.222 337 P C -0.416 176.658 177.300 -0.376 0.000 1.153 337 P CA 0.971 63.498 63.100 -0.956 0.000 0.798 337 P CB 0.558 31.828 31.700 -0.717 0.000 0.796 338 R N 0.696 121.051 120.500 -0.240 0.000 2.599 338 R HA 0.463 4.803 4.340 -0.000 0.000 0.295 338 R C -2.395 173.857 176.300 -0.079 0.000 0.963 338 R CA -2.321 53.706 56.100 -0.122 0.000 0.883 338 R CB 1.474 31.719 30.300 -0.092 0.000 1.171 338 R HN 0.065 nan 8.270 nan 0.000 0.450 339 P HA 0.015 nan 4.420 nan 0.000 0.274 339 P C -0.112 177.175 177.300 -0.022 0.000 1.256 339 P CA -0.238 62.847 63.100 -0.024 0.000 0.795 339 P CB 0.609 32.303 31.700 -0.010 0.000 1.038 340 T N -1.120 113.426 114.554 -0.013 0.000 2.816 340 T HA 0.220 4.570 4.350 -0.000 0.000 0.282 340 T C 1.458 176.151 174.700 -0.012 0.000 0.993 340 T CA -0.665 61.428 62.100 -0.012 0.000 0.994 340 T CB 0.523 69.387 68.868 -0.007 0.000 1.025 340 T HN 0.196 nan 8.240 nan 0.000 0.529 341 R N 0.606 121.098 120.500 -0.013 0.000 2.148 341 R HA 0.073 4.413 4.340 -0.000 0.000 0.227 341 R C 2.524 178.815 176.300 -0.015 0.000 1.103 341 R CA 1.318 57.409 56.100 -0.015 0.000 0.983 341 R CB -1.644 28.646 30.300 -0.016 0.000 0.874 341 R HN 0.838 nan 8.270 nan 0.000 0.451 342 A N 1.301 124.112 122.820 -0.014 0.000 1.930 342 A HA -0.107 4.213 4.320 -0.000 0.000 0.215 342 A C 1.974 179.552 177.584 -0.011 0.000 1.176 342 A CA 0.944 52.971 52.037 -0.015 0.000 0.632 342 A CB -0.184 18.807 19.000 -0.015 0.000 0.819 342 A HN 0.318 nan 8.150 nan 0.000 0.445 343 E N -0.342 119.854 120.200 -0.006 0.000 2.077 343 E HA -0.103 4.247 4.350 -0.000 0.000 0.193 343 E C 2.112 178.711 176.600 -0.002 0.000 0.989 343 E CA 0.771 57.170 56.400 -0.001 0.000 0.800 343 E CB -0.372 29.329 29.700 0.003 0.000 0.746 343 E HN 0.586 nan 8.360 nan 0.000 0.452 344 G N 0.917 109.714 108.800 -0.005 0.000 2.421 344 G HA2 -0.333 3.627 3.960 -0.000 0.000 0.216 344 G HA3 -0.333 3.627 3.960 -0.000 0.000 0.216 344 G C 1.657 176.553 174.900 -0.006 0.000 1.171 344 G CA 1.001 46.099 45.100 -0.005 0.000 0.775 344 G HN 0.291 nan 8.290 nan 0.000 0.543 345 S N 0.377 116.071 115.700 -0.010 0.000 2.368 345 S HA -0.186 4.284 4.470 -0.000 0.000 0.225 345 S C 2.088 176.682 174.600 -0.009 0.000 1.030 345 S CA 2.021 60.213 58.200 -0.013 0.000 0.999 345 S CB -0.472 62.716 63.200 -0.020 0.000 0.844 345 S HN 0.405 nan 8.310 nan 0.000 0.459 346 D N -0.001 120.395 120.400 -0.007 0.000 2.178 346 D HA -0.066 4.573 4.640 -0.000 0.000 0.201 346 D C 1.771 178.072 176.300 0.002 0.000 0.980 346 D CA 1.147 55.145 54.000 -0.002 0.000 0.842 346 D CB -0.113 40.687 40.800 -0.000 0.000 0.948 346 D HN 0.323 nan 8.370 nan 0.000 0.472 347 V N 0.281 120.196 119.914 0.002 0.000 2.407 347 V HA -0.068 4.052 4.120 -0.000 0.000 0.245 347 V C 2.491 178.588 176.094 0.005 0.000 1.041 347 V CA 1.424 63.727 62.300 0.005 0.000 1.040 347 V CB -0.649 31.178 31.823 0.007 0.000 0.671 347 V HN 0.297 nan 8.190 nan 0.000 0.455 348 A N 0.597 123.418 122.820 0.002 0.000 1.865 348 A HA -0.251 4.069 4.320 -0.000 0.000 0.217 348 A C 2.043 179.633 177.584 0.010 0.000 1.191 348 A CA 2.116 54.155 52.037 0.003 0.000 0.623 348 A CB -0.758 18.241 19.000 -0.003 0.000 0.826 348 A HN 0.586 nan 8.150 nan 0.000 0.444 349 N N 0.194 118.899 118.700 0.008 0.000 2.364 349 N HA -0.099 4.641 4.740 -0.000 0.000 0.183 349 N C 1.787 177.309 175.510 0.020 0.000 1.022 349 N CA 1.273 54.333 53.050 0.016 0.000 0.883 349 N CB -0.327 38.166 38.487 0.011 0.000 0.965 349 N HN 0.525 nan 8.380 nan 0.000 0.438 350 A N 0.574 123.401 122.820 0.013 0.000 1.930 350 A HA -0.007 4.313 4.320 -0.000 0.000 0.215 350 A C 2.465 180.057 177.584 0.013 0.000 1.176 350 A CA 0.789 52.831 52.037 0.009 0.000 0.632 350 A CB -0.430 18.570 19.000 0.000 0.000 0.819 350 A HN 0.083 nan 8.150 nan 0.000 0.445 351 V N 0.293 120.217 119.914 0.017 0.000 2.358 351 V HA -0.209 3.910 4.120 -0.000 0.000 0.246 351 V C 2.499 178.613 176.094 0.033 0.000 1.047 351 V CA 1.718 64.033 62.300 0.025 0.000 1.035 351 V CB -0.795 31.043 31.823 0.025 0.000 0.658 351 V HN 0.545 nan 8.190 nan 0.000 0.452 352 L N -0.316 120.928 121.223 0.035 0.000 2.093 352 L HA -0.144 4.196 4.340 -0.000 0.000 0.208 352 L C 2.340 179.244 176.870 0.056 0.000 1.085 352 L CA 1.313 56.182 54.840 0.049 0.000 0.755 352 L CB -0.747 41.344 42.059 0.054 0.000 0.904 352 L HN 0.315 nan 8.230 nan 0.000 0.435 353 D N 0.263 120.689 120.400 0.043 0.000 2.182 353 D HA -0.116 4.524 4.640 -0.000 0.000 0.201 353 D C 1.651 177.971 176.300 0.033 0.000 0.986 353 D CA 1.634 55.657 54.000 0.038 0.000 0.847 353 D CB 0.095 40.906 40.800 0.020 0.000 0.942 353 D HN 0.472 nan 8.370 nan 0.000 0.467 354 G N -0.581 108.237 108.800 0.031 0.000 2.164 354 G HA2 -0.060 3.900 3.960 -0.000 0.000 0.154 354 G HA3 -0.060 3.900 3.960 -0.000 0.000 0.154 354 G C 0.361 175.271 174.900 0.017 0.000 1.014 354 G CA 0.121 45.240 45.100 0.033 0.000 0.683 354 G HN 0.545 nan 8.290 nan 0.000 0.500 355 A N 0.346 123.169 122.820 0.005 0.000 2.540 355 A HA 0.477 4.797 4.320 -0.000 0.000 0.239 355 A C 1.242 178.824 177.584 -0.003 0.000 1.061 355 A CA 1.019 53.049 52.037 -0.013 0.000 0.758 355 A CB 0.258 19.245 19.000 -0.021 0.000 0.991 355 A HN 0.276 nan 8.150 nan 0.000 0.502 356 D N 0.568 120.954 120.400 -0.023 0.000 2.103 356 D HA -0.015 4.625 4.640 -0.000 0.000 0.199 356 D C 0.191 176.490 176.300 -0.002 0.000 0.978 356 D CA 1.354 55.346 54.000 -0.013 0.000 0.829 356 D CB 0.133 40.892 40.800 -0.068 0.000 0.981 356 D HN 0.576 nan 8.370 nan 0.000 0.464 357 C N 0.680 119.963 119.300 -0.028 0.000 2.707 357 C HA 0.632 5.092 4.460 -0.000 0.000 0.313 357 C C -0.032 174.943 174.990 -0.025 0.000 1.209 357 C CA -1.055 57.954 59.018 -0.014 0.000 1.635 357 C CB 1.830 29.558 27.740 -0.021 0.000 2.206 357 C HN 0.181 nan 8.230 nan 0.000 0.485 358 I N 0.347 120.913 120.570 -0.007 0.000 2.603 358 I HA 0.749 4.919 4.170 -0.000 0.000 0.300 358 I C -0.665 175.450 176.117 -0.003 0.000 1.017 358 I CA -0.684 60.611 61.300 -0.009 0.000 1.098 358 I CB 1.567 39.571 38.000 0.006 0.000 1.279 358 I HN 0.724 nan 8.210 nan 0.000 0.437 359 M N 5.345 124.940 119.600 -0.009 0.000 2.777 359 M HA 0.684 5.164 4.480 -0.000 0.000 0.307 359 M C -1.951 174.363 176.300 0.023 0.000 1.228 359 M CA -0.848 54.456 55.300 0.008 0.000 0.871 359 M CB 2.526 35.118 32.600 -0.014 0.000 1.721 359 M HN 0.672 nan 8.290 nan 0.000 0.487 360 L N 1.795 123.043 121.223 0.041 0.000 2.436 360 L HA 0.551 4.891 4.340 -0.000 0.000 0.268 360 L C -1.196 175.711 176.870 0.062 0.000 0.974 360 L CA -0.525 54.344 54.840 0.048 0.000 0.826 360 L CB 2.428 44.517 42.059 0.051 0.000 1.291 360 L HN 0.845 nan 8.230 nan 0.000 0.406 361 S N 0.648 116.385 115.700 0.062 0.000 2.571 361 S HA 0.735 5.205 4.470 -0.000 0.000 0.238 361 S C 0.120 174.764 174.600 0.073 0.000 1.153 361 S CA 0.058 58.304 58.200 0.077 0.000 1.141 361 S CB 1.584 64.832 63.200 0.081 0.000 1.133 361 S HN 1.107 nan 8.310 nan 0.000 0.464 362 G N 3.372 112.215 108.800 0.073 0.000 2.697 362 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.200 362 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.200 362 G C 0.548 175.486 174.900 0.062 0.000 1.106 362 G CA 0.174 45.313 45.100 0.065 0.000 0.748 362 G HN 0.584 nan 8.290 nan 0.000 0.503 363 E N 0.576 120.815 120.200 0.065 0.000 2.338 363 E HA 0.192 4.542 4.350 -0.000 0.000 0.197 363 E C 2.174 178.817 176.600 0.072 0.000 1.007 363 E CA 1.662 58.105 56.400 0.072 0.000 0.849 363 E CB -0.001 29.741 29.700 0.069 0.000 0.774 363 E HN 0.489 nan 8.360 nan 0.000 0.506 364 T N -0.967 113.626 114.554 0.066 0.000 3.058 364 T HA 0.240 4.590 4.350 -0.000 0.000 0.247 364 T C 1.780 176.516 174.700 0.061 0.000 0.987 364 T CA 0.361 62.498 62.100 0.062 0.000 1.062 364 T CB 0.077 68.982 68.868 0.063 0.000 1.048 364 T HN 0.187 nan 8.240 nan 0.000 0.468 365 A N 2.402 125.264 122.820 0.070 0.000 1.858 365 A HA -0.062 4.258 4.320 -0.000 0.000 0.216 365 A C 1.596 179.215 177.584 0.059 0.000 1.190 365 A CA 1.921 54.005 52.037 0.078 0.000 0.617 365 A CB -0.208 18.848 19.000 0.094 0.000 0.827 365 A HN 0.516 nan 8.150 nan 0.000 0.443 366 K N -1.201 119.225 120.400 0.045 0.000 2.895 366 K HA 0.445 4.765 4.320 -0.000 0.000 0.200 366 K C 0.198 176.807 176.600 0.014 0.000 1.133 366 K CA 0.354 56.655 56.287 0.024 0.000 1.060 366 K CB -0.412 32.097 32.500 0.015 0.000 0.735 366 K HN 0.300 nan 8.250 nan 0.000 0.451 367 G N -0.248 108.563 108.800 0.020 0.000 2.511 367 G HA2 0.252 4.212 3.960 -0.000 0.000 0.316 367 G HA3 0.252 4.212 3.960 -0.000 0.000 0.316 367 G C -0.408 174.463 174.900 -0.049 0.000 1.210 367 G CA -0.616 44.494 45.100 0.017 0.000 0.969 367 G HN 0.101 nan 8.290 nan 0.000 0.492 368 D N -1.161 119.170 120.400 -0.115 0.000 2.348 368 D HA 0.039 4.678 4.640 -0.000 0.000 0.211 368 D C -0.176 175.693 176.300 -0.718 0.000 0.998 368 D CA 0.967 54.711 54.000 -0.427 0.000 0.873 368 D CB 0.328 40.771 40.800 -0.595 0.000 0.925 368 D HN 0.361 nan 8.370 nan 0.000 0.524 369 Y N -0.205 120.107 120.300 0.020 0.000 2.517 369 Y HA 0.206 4.756 4.550 -0.000 0.000 0.330 369 Y C -1.625 174.290 175.900 0.024 0.000 0.917 369 Y CA -1.691 56.421 58.100 0.021 0.000 1.131 369 Y CB 1.048 39.520 38.460 0.020 0.000 1.175 369 Y HN -0.095 nan 8.280 nan 0.000 0.620 370 P HA -0.204 nan 4.420 nan 0.000 0.215 370 P C 1.451 178.801 177.300 0.083 0.000 1.157 370 P CA 1.339 64.486 63.100 0.078 0.000 0.874 370 P CB 0.670 32.396 31.700 0.044 0.000 0.790 371 L N -0.016 121.255 121.223 0.080 0.000 2.017 371 L HA -0.150 4.190 4.340 -0.000 0.000 0.208 371 L C 2.620 179.540 176.870 0.083 0.000 1.073 371 L CA 1.910 56.793 54.840 0.071 0.000 0.745 371 L CB -1.895 40.202 42.059 0.063 0.000 0.894 371 L HN -0.096 nan 8.230 nan 0.000 0.432 372 E N -0.430 119.841 120.200 0.119 0.000 2.085 372 E HA -0.205 4.145 4.350 -0.000 0.000 0.194 372 E C 2.300 178.948 176.600 0.079 0.000 0.994 372 E CA 1.431 57.891 56.400 0.099 0.000 0.801 372 E CB -0.532 29.237 29.700 0.115 0.000 0.743 372 E HN 0.464 nan 8.360 nan 0.000 0.453 373 A N 0.610 123.487 122.820 0.095 0.000 1.865 373 A HA -0.186 4.134 4.320 -0.000 0.000 0.217 373 A C 2.514 180.138 177.584 0.068 0.000 1.191 373 A CA 2.024 54.106 52.037 0.076 0.000 0.623 373 A CB -1.140 17.911 19.000 0.085 0.000 0.826 373 A HN 0.273 nan 8.150 nan 0.000 0.444 374 V N -0.468 119.486 119.914 0.067 0.000 2.407 374 V HA -0.242 3.878 4.120 -0.000 0.000 0.248 374 V C 2.213 178.358 176.094 0.086 0.000 1.055 374 V CA 2.338 64.677 62.300 0.064 0.000 1.049 374 V CB -0.857 30.993 31.823 0.045 0.000 0.662 374 V HN 0.571 nan 8.190 nan 0.000 0.455 375 R N -0.763 119.783 120.500 0.077 0.000 2.096 375 R HA -0.096 4.244 4.340 -0.000 0.000 0.235 375 R C 2.294 178.673 176.300 0.130 0.000 1.127 375 R CA 1.980 58.139 56.100 0.099 0.000 0.968 375 R CB -0.556 29.785 30.300 0.067 0.000 0.861 375 R HN 0.559 nan 8.270 nan 0.000 0.440 376 M N 1.130 120.781 119.600 0.086 0.000 2.099 376 M HA -0.152 4.328 4.480 -0.000 0.000 0.262 376 M C 1.924 178.263 176.300 0.065 0.000 1.067 376 M CA 1.749 57.088 55.300 0.064 0.000 1.124 376 M CB -0.185 32.438 32.600 0.039 0.000 1.353 376 M HN 0.026 nan 8.290 nan 0.000 0.410 377 Q N -1.401 118.442 119.800 0.072 0.000 2.135 377 Q HA -0.260 4.080 4.340 -0.000 0.000 0.204 377 Q C 2.150 178.193 176.000 0.072 0.000 0.981 377 Q CA 2.039 57.878 55.803 0.061 0.000 0.856 377 Q CB -0.558 28.217 28.738 0.062 0.000 0.902 377 Q HN 0.749 nan 8.270 nan 0.000 0.425 378 H N 0.241 119.329 119.070 0.031 0.000 2.353 378 H HA -0.130 4.426 4.556 -0.000 0.000 0.300 378 H C 1.748 177.100 175.328 0.039 0.000 1.090 378 H CA 1.299 57.370 56.048 0.038 0.000 1.327 378 H CB 0.033 29.819 29.762 0.040 0.000 1.383 378 H HN 0.069 nan 8.280 nan 0.000 0.508 379 L N 0.288 121.501 121.223 -0.017 0.000 2.027 379 L HA -0.094 4.246 4.340 -0.000 0.000 0.206 379 L C 2.490 179.315 176.870 -0.074 0.000 1.074 379 L CA 1.443 56.246 54.840 -0.061 0.000 0.745 379 L CB -0.778 41.301 42.059 0.032 0.000 0.898 379 L HN 0.428 nan 8.230 nan 0.000 0.433 380 I N -0.972 119.579 120.570 -0.032 0.000 2.163 380 I HA -0.334 3.836 4.170 -0.000 0.000 0.243 380 I C 2.606 178.702 176.117 -0.036 0.000 1.085 380 I CA 1.151 62.437 61.300 -0.024 0.000 1.347 380 I CB -0.739 37.258 38.000 -0.006 0.000 1.044 380 I HN 0.238 nan 8.210 nan 0.000 0.408 381 A N 1.387 124.179 122.820 -0.048 0.000 1.859 381 A HA -0.267 4.053 4.320 -0.000 0.000 0.217 381 A C 2.442 179.996 177.584 -0.050 0.000 1.198 381 A CA 2.045 54.058 52.037 -0.039 0.000 0.629 381 A CB -0.805 18.173 19.000 -0.036 0.000 0.830 381 A HN 0.331 nan 8.150 nan 0.000 0.446 382 R N -1.052 119.379 120.500 -0.115 0.000 2.091 382 R HA -0.190 4.149 4.340 -0.000 0.000 0.238 382 R C 2.291 178.572 176.300 -0.031 0.000 1.136 382 R CA 1.652 57.702 56.100 -0.084 0.000 0.959 382 R CB -0.359 29.857 30.300 -0.141 0.000 0.856 382 R HN 0.636 nan 8.270 nan 0.000 0.437 383 E N 0.664 120.842 120.200 -0.036 0.000 2.058 383 E HA -0.164 4.186 4.350 -0.000 0.000 0.194 383 E C 1.834 178.436 176.600 0.004 0.000 0.997 383 E CA 1.807 58.200 56.400 -0.012 0.000 0.801 383 E CB -0.176 29.514 29.700 -0.017 0.000 0.746 383 E HN 0.362 nan 8.360 nan 0.000 0.450 384 A N 0.322 123.143 122.820 0.002 0.000 1.968 384 A HA -0.133 4.186 4.320 -0.000 0.000 0.217 384 A C 1.951 179.557 177.584 0.036 0.000 1.169 384 A CA 1.423 53.469 52.037 0.014 0.000 0.638 384 A CB -0.471 18.536 19.000 0.011 0.000 0.812 384 A HN 0.298 nan 8.150 nan 0.000 0.446 385 E N -0.143 120.084 120.200 0.045 0.000 2.204 385 E HA -0.108 4.242 4.350 -0.000 0.000 0.195 385 E C 2.105 178.796 176.600 0.151 0.000 0.990 385 E CA 0.920 57.373 56.400 0.088 0.000 0.821 385 E CB -0.206 29.541 29.700 0.079 0.000 0.750 385 E HN 0.645 nan 8.360 nan 0.000 0.477 386 A N 1.040 123.934 122.820 0.123 0.000 1.975 386 A HA 0.156 4.476 4.320 -0.000 0.000 0.215 386 A C 2.200 179.878 177.584 0.156 0.000 1.170 386 A CA 0.922 53.062 52.037 0.170 0.000 0.656 386 A CB -0.091 18.969 19.000 0.100 0.000 0.821 386 A HN 0.233 nan 8.150 nan 0.000 0.449 387 A N -0.715 122.154 122.820 0.083 0.000 2.252 387 A HA 0.379 4.699 4.320 -0.000 0.000 0.207 387 A C 1.006 178.662 177.584 0.119 0.000 1.194 387 A CA -0.041 52.029 52.037 0.056 0.000 0.809 387 A CB -0.622 18.372 19.000 -0.009 0.000 0.814 387 A HN 0.554 nan 8.150 nan 0.000 0.482 388 M N -1.302 118.310 119.600 0.021 0.000 2.198 388 M HA 0.225 4.705 4.480 -0.000 0.000 0.315 388 M C -0.201 175.986 176.300 -0.188 0.000 1.134 388 M CA 0.061 55.280 55.300 -0.135 0.000 1.171 388 M CB 0.409 32.749 32.600 -0.433 0.000 1.413 388 M HN 0.295 nan 8.290 nan 0.000 0.467 389 F N 2.198 121.855 119.950 -0.489 0.000 2.344 389 F HA 0.276 4.802 4.527 -0.000 0.000 0.344 389 F C 1.031 176.548 175.800 -0.471 0.000 1.140 389 F CA -0.747 56.792 58.000 -0.768 0.000 1.256 389 F CB -0.643 37.709 39.000 -1.080 0.000 1.573 389 F HN 0.549 nan 8.300 nan 0.000 0.547 390 H N 1.158 120.159 119.070 -0.116 0.000 2.289 390 H HA -0.161 4.395 4.556 -0.000 0.000 0.296 390 H C 2.300 177.404 175.328 -0.374 0.000 1.091 390 H CA 1.523 57.476 56.048 -0.159 0.000 1.274 390 H CB 0.089 29.756 29.762 -0.158 0.000 1.364 390 H HN 0.361 nan 8.280 nan 0.000 0.490 391 R N 1.473 121.697 120.500 -0.460 0.000 2.115 391 R HA -0.173 4.167 4.340 -0.000 0.000 0.239 391 R C 2.292 178.301 176.300 -0.486 0.000 1.133 391 R CA 1.813 57.597 56.100 -0.526 0.000 0.935 391 R CB -0.346 29.638 30.300 -0.527 0.000 0.853 391 R HN 0.166 nan 8.270 nan 0.000 0.433 392 K N 0.270 120.104 120.400 -0.943 0.000 2.057 392 K HA -0.109 4.211 4.320 -0.000 0.000 0.206 392 K C 2.037 178.503 176.600 -0.223 0.000 1.050 392 K CA 0.979 56.853 56.287 -0.687 0.000 0.935 392 K CB -0.597 31.212 32.500 -1.152 0.000 0.715 392 K HN 0.097 nan 8.250 nan 0.000 0.439 393 L N 0.019 121.147 121.223 -0.159 0.000 1.994 393 L HA -0.086 4.254 4.340 -0.000 0.000 0.208 393 L C 1.978 178.921 176.870 0.123 0.000 1.071 393 L CA 1.700 56.563 54.840 0.038 0.000 0.745 393 L CB -0.839 41.262 42.059 0.070 0.000 0.892 393 L HN 0.248 nan 8.230 nan 0.000 0.431 394 F N 0.845 120.823 119.950 0.048 0.000 2.065 394 F HA -0.264 4.263 4.527 -0.000 0.000 0.298 394 F C 2.358 178.213 175.800 0.091 0.000 1.112 394 F CA 2.250 60.342 58.000 0.153 0.000 1.212 394 F CB -0.375 38.770 39.000 0.242 0.000 0.975 394 F HN 0.273 nan 8.300 nan 0.000 0.476 395 E N -0.137 120.132 120.200 0.114 0.000 2.097 395 E HA -0.261 4.089 4.350 -0.000 0.000 0.196 395 E C 2.053 178.610 176.600 -0.072 0.000 1.000 395 E CA 1.754 58.150 56.400 -0.006 0.000 0.804 395 E CB -0.385 29.324 29.700 0.015 0.000 0.740 395 E HN 0.633 nan 8.360 nan 0.000 0.454 396 E N 0.171 120.352 120.200 -0.032 0.000 2.208 396 E HA -0.120 4.230 4.350 -0.000 0.000 0.193 396 E C 1.978 178.562 176.600 -0.028 0.000 0.988 396 E CA 0.304 56.694 56.400 -0.017 0.000 0.828 396 E CB 0.152 29.866 29.700 0.023 0.000 0.763 396 E HN 0.124 nan 8.360 nan 0.000 0.478 397 L N 0.591 121.790 121.223 -0.039 0.000 2.072 397 L HA -0.025 4.315 4.340 -0.000 0.000 0.205 397 L C 2.426 179.298 176.870 0.004 0.000 1.079 397 L CA 1.481 56.320 54.840 -0.002 0.000 0.752 397 L CB -1.391 40.702 42.059 0.057 0.000 0.906 397 L HN 0.045 nan 8.230 nan 0.000 0.436 398 A N -0.487 122.232 122.820 -0.169 0.000 1.940 398 A HA -0.208 4.112 4.320 -0.000 0.000 0.219 398 A C 2.347 179.874 177.584 -0.096 0.000 1.176 398 A CA 1.158 53.068 52.037 -0.211 0.000 0.631 398 A CB -0.344 18.387 19.000 -0.447 0.000 0.814 398 A HN 0.288 nan 8.150 nan 0.000 0.446 399 R N -0.446 120.006 120.500 -0.079 0.000 2.073 399 R HA -0.097 4.243 4.340 -0.000 0.000 0.234 399 R C 2.360 178.637 176.300 -0.039 0.000 1.134 399 R CA 1.434 57.503 56.100 -0.052 0.000 0.952 399 R CB -1.109 29.167 30.300 -0.039 0.000 0.850 399 R HN 0.517 nan 8.270 nan 0.000 0.433 400 A N 0.792 123.598 122.820 -0.023 0.000 2.125 400 A HA -0.034 4.286 4.320 -0.000 0.000 0.219 400 A C 0.728 178.308 177.584 -0.007 0.000 1.156 400 A CA 0.813 52.841 52.037 -0.016 0.000 0.671 400 A CB 0.012 19.007 19.000 -0.008 0.000 0.794 400 A HN 0.151 nan 8.150 nan 0.000 0.459 401 S N 1.881 117.587 115.700 0.010 0.000 2.475 401 S HA 0.363 4.833 4.470 -0.000 0.000 0.249 401 S C -2.327 172.262 174.600 -0.019 0.000 1.298 401 S CA -1.210 57.009 58.200 0.031 0.000 1.125 401 S CB 0.781 64.064 63.200 0.139 0.000 1.054 401 S HN 0.405 nan 8.310 nan 0.000 0.484 402 P HA -0.070 nan 4.420 nan 0.000 0.278 402 P C 0.456 177.709 177.300 -0.078 0.000 1.268 402 P CA 0.123 63.141 63.100 -0.136 0.000 0.813 402 P CB 0.339 31.912 31.700 -0.212 0.000 1.180 403 H N -3.440 115.620 119.070 -0.017 0.000 2.556 403 H HA 0.114 4.670 4.556 -0.000 0.000 0.268 403 H C 0.423 175.741 175.328 -0.017 0.000 0.996 403 H CA -0.343 55.694 56.048 -0.019 0.000 1.157 403 H CB -1.592 28.159 29.762 -0.017 0.000 1.355 403 H HN 0.200 nan 8.280 nan 0.000 0.597 404 S N 0.840 116.634 115.700 0.156 0.000 2.525 404 S HA 0.231 4.701 4.470 -0.000 0.000 0.285 404 S C 0.065 174.704 174.600 0.065 0.000 1.283 404 S CA -0.254 58.020 58.200 0.124 0.000 1.072 404 S CB 0.583 63.804 63.200 0.037 0.000 0.867 404 S HN 0.459 nan 8.310 nan 0.000 0.492 405 T N 1.219 115.802 114.554 0.048 0.000 2.885 405 T HA 0.468 4.818 4.350 -0.000 0.000 0.285 405 T C 0.522 175.212 174.700 -0.018 0.000 1.019 405 T CA -0.452 61.654 62.100 0.011 0.000 1.010 405 T CB 1.792 70.662 68.868 0.003 0.000 1.022 405 T HN 0.717 nan 8.240 nan 0.000 0.466 406 D N 0.455 120.828 120.400 -0.045 0.000 2.566 406 D HA 0.203 4.843 4.640 -0.000 0.000 0.253 406 D C 1.133 177.342 176.300 -0.151 0.000 0.992 406 D CA 0.057 54.006 54.000 -0.085 0.000 0.940 406 D CB 0.145 40.892 40.800 -0.088 0.000 1.095 406 D HN 0.390 nan 8.370 nan 0.000 0.480 407 L N -2.551 118.572 121.223 -0.167 0.000 1.693 407 L HA -0.087 4.252 4.340 -0.000 0.000 0.502 407 L C 1.190 177.894 176.870 -0.277 0.000 0.741 407 L CA 1.210 55.926 54.840 -0.206 0.000 2.908 407 L CB -1.466 40.439 42.059 -0.256 0.000 0.905 407 L HN 0.182 nan 8.230 nan 0.000 0.684 408 M N 1.295 120.587 119.600 -0.514 0.000 2.296 408 M HA -0.055 4.424 4.480 -0.000 0.000 0.265 408 M C 1.779 178.059 176.300 -0.033 0.000 1.064 408 M CA 2.413 57.514 55.300 -0.331 0.000 1.109 408 M CB -0.381 31.999 32.600 -0.367 0.000 1.396 408 M HN 0.453 nan 8.290 nan 0.000 0.430 409 E N -0.887 119.301 120.200 -0.020 0.000 2.358 409 E HA -0.014 4.336 4.350 -0.000 0.000 0.195 409 E C 1.744 178.338 176.600 -0.010 0.000 1.010 409 E CA 0.866 57.317 56.400 0.084 0.000 0.856 409 E CB -0.475 29.329 29.700 0.173 0.000 0.795 409 E HN 0.532 nan 8.360 nan 0.000 0.504 410 A N 1.963 124.772 122.820 -0.019 0.000 1.855 410 A HA -0.106 4.214 4.320 -0.000 0.000 0.215 410 A C 2.305 179.893 177.584 0.007 0.000 1.191 410 A CA 1.354 53.377 52.037 -0.022 0.000 0.613 410 A CB -0.347 18.654 19.000 0.001 0.000 0.829 410 A HN 0.153 nan 8.150 nan 0.000 0.442 411 M N -0.057 119.581 119.600 0.064 0.000 2.106 411 M HA -0.188 4.292 4.480 -0.000 0.000 0.259 411 M C 2.493 178.835 176.300 0.069 0.000 1.068 411 M CA 1.736 57.093 55.300 0.095 0.000 1.100 411 M CB -1.664 31.053 32.600 0.194 0.000 1.351 411 M HN 0.501 nan 8.290 nan 0.000 0.404 412 A N 0.194 123.064 122.820 0.084 0.000 1.835 412 A HA -0.185 4.135 4.320 -0.000 0.000 0.215 412 A C 2.279 179.893 177.584 0.050 0.000 1.199 412 A CA 1.942 54.049 52.037 0.115 0.000 0.615 412 A CB -0.734 18.420 19.000 0.257 0.000 0.838 412 A HN 0.477 nan 8.150 nan 0.000 0.444 413 M N -0.559 118.972 119.600 -0.116 0.000 2.106 413 M HA -0.163 4.317 4.480 -0.000 0.000 0.259 413 M C 2.245 178.586 176.300 0.068 0.000 1.068 413 M CA 1.552 56.790 55.300 -0.103 0.000 1.100 413 M CB -0.614 31.762 32.600 -0.373 0.000 1.351 413 M HN 0.563 nan 8.290 nan 0.000 0.404 414 G N -0.925 107.880 108.800 0.008 0.000 2.402 414 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.216 414 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.216 414 G C 1.574 176.451 174.900 -0.038 0.000 1.162 414 G CA 1.063 46.164 45.100 0.002 0.000 0.777 414 G HN 0.439 nan 8.290 nan 0.000 0.539 415 S N 0.011 115.693 115.700 -0.031 0.000 2.355 415 S HA -0.084 4.385 4.470 -0.000 0.000 0.222 415 S C 2.506 177.017 174.600 -0.149 0.000 1.031 415 S CA 1.079 59.243 58.200 -0.060 0.000 0.993 415 S CB -0.257 62.932 63.200 -0.018 0.000 0.859 415 S HN 0.168 nan 8.310 nan 0.000 0.453 416 V N 1.890 121.702 119.914 -0.170 0.000 2.343 416 V HA -0.171 3.949 4.120 -0.000 0.000 0.247 416 V C 2.580 178.232 176.094 -0.737 0.000 1.051 416 V CA 2.058 64.111 62.300 -0.412 0.000 1.036 416 V CB -0.701 30.986 31.823 -0.227 0.000 0.654 416 V HN 0.407 nan 8.190 nan 0.000 0.451 417 E N 1.070 120.946 120.200 -0.540 0.000 2.038 417 E HA -0.229 4.121 4.350 -0.000 0.000 0.195 417 E C 2.139 178.602 176.600 -0.229 0.000 1.000 417 E CA 1.970 58.117 56.400 -0.420 0.000 0.803 417 E CB -0.621 28.955 29.700 -0.208 0.000 0.750 417 E HN 0.490 nan 8.360 nan 0.000 0.448 418 A N 0.221 122.936 122.820 -0.175 0.000 1.940 418 A HA -0.220 4.100 4.320 -0.000 0.000 0.219 418 A C 2.393 179.899 177.584 -0.130 0.000 1.176 418 A CA 2.502 54.471 52.037 -0.114 0.000 0.631 418 A CB -1.039 17.909 19.000 -0.087 0.000 0.814 418 A HN 0.460 nan 8.150 nan 0.000 0.446 419 S N -1.511 114.059 115.700 -0.216 0.000 2.402 419 S HA -0.158 4.311 4.470 -0.000 0.000 0.229 419 S C 1.834 176.347 174.600 -0.145 0.000 1.021 419 S CA 1.290 59.367 58.200 -0.206 0.000 0.974 419 S CB -0.719 62.319 63.200 -0.271 0.000 0.800 419 S HN 0.520 nan 8.310 nan 0.000 0.484 420 Y N 1.987 122.184 120.300 -0.172 0.000 2.163 420 Y HA 0.151 4.701 4.550 -0.000 0.000 0.288 420 Y C 2.687 178.514 175.900 -0.122 0.000 1.136 420 Y CA 0.537 58.534 58.100 -0.172 0.000 1.147 420 Y CB -0.625 37.695 38.460 -0.233 0.000 0.987 420 Y HN 0.128 nan 8.280 nan 0.000 0.509 421 K N 0.402 120.838 120.400 0.059 0.000 2.032 421 K HA -0.155 4.165 4.320 -0.000 0.000 0.209 421 K C 1.881 178.480 176.600 -0.002 0.000 1.048 421 K CA 1.702 57.996 56.287 0.012 0.000 0.927 421 K CB -0.884 31.610 32.500 -0.009 0.000 0.712 421 K HN 0.514 nan 8.250 nan 0.000 0.441 422 C N 0.224 119.513 119.300 -0.017 0.000 2.688 422 C HA 0.451 4.911 4.460 -0.000 0.000 0.297 422 C C 0.821 175.798 174.990 -0.021 0.000 1.308 422 C CA -0.827 58.177 59.018 -0.022 0.000 1.726 422 C CB -1.543 26.176 27.740 -0.035 0.000 1.982 422 C HN 0.426 nan 8.230 nan 0.000 0.604 423 L N 0.654 121.871 121.223 -0.010 0.000 3.854 423 L HA -0.247 4.092 4.340 -0.000 0.000 0.460 423 L C 1.187 178.041 176.870 -0.027 0.000 1.228 423 L CA 0.403 55.238 54.840 -0.007 0.000 0.760 423 L CB -2.161 39.901 42.059 0.004 0.000 1.597 423 L HN 0.726 nan 8.230 nan 0.000 0.852 424 A N 0.300 123.089 122.820 -0.052 0.000 2.555 424 A HA 0.423 4.743 4.320 -0.000 0.000 0.233 424 A C 1.471 179.023 177.584 -0.053 0.000 1.060 424 A CA 0.733 52.728 52.037 -0.071 0.000 0.759 424 A CB 0.542 19.483 19.000 -0.098 0.000 0.995 424 A HN 0.722 nan 8.150 nan 0.000 0.506 425 A N 1.360 124.147 122.820 -0.056 0.000 2.016 425 A HA 0.477 4.797 4.320 -0.000 0.000 0.217 425 A C 1.141 178.766 177.584 0.068 0.000 1.162 425 A CA 1.897 53.954 52.037 0.033 0.000 0.662 425 A CB -0.436 18.606 19.000 0.071 0.000 0.812 425 A HN 2.498 nan 8.150 nan 0.000 0.450 426 A N -2.332 120.475 122.820 -0.021 0.000 2.515 426 A HA 0.586 4.906 4.320 -0.000 0.000 0.292 426 A C -2.084 175.478 177.584 -0.037 0.000 1.065 426 A CA -0.613 51.433 52.037 0.016 0.000 0.641 426 A CB 0.141 19.264 19.000 0.205 0.000 1.306 426 A HN 0.354 nan 8.150 nan 0.000 0.441 427 L N 1.071 122.291 121.223 -0.005 0.000 2.342 427 L HA 0.550 4.890 4.340 -0.000 0.000 0.276 427 L C -0.541 176.343 176.870 0.023 0.000 0.997 427 L CA 0.121 54.952 54.840 -0.015 0.000 0.838 427 L CB 1.450 43.495 42.059 -0.022 0.000 1.224 427 L HN 0.578 nan 8.230 nan 0.000 0.416 428 I N 3.882 124.459 120.570 0.011 0.000 2.342 428 I HA 0.416 4.586 4.170 -0.000 0.000 0.291 428 I C -0.508 175.623 176.117 0.023 0.000 1.010 428 I CA -0.625 60.695 61.300 0.033 0.000 1.308 428 I CB 1.233 39.244 38.000 0.019 0.000 1.400 428 I HN 0.211 nan 8.210 nan 0.000 0.488 429 V N 7.475 127.408 119.914 0.033 0.000 2.577 429 V HA 0.380 4.500 4.120 -0.000 0.000 0.303 429 V C -0.096 176.006 176.094 0.014 0.000 1.042 429 V CA -0.610 61.703 62.300 0.022 0.000 0.872 429 V CB 2.087 33.922 31.823 0.020 0.000 0.998 429 V HN 0.486 nan 8.190 nan 0.000 0.423 430 L N 4.202 125.430 121.223 0.008 0.000 2.264 430 L HA 0.742 5.082 4.340 -0.000 0.000 0.289 430 L C 0.149 177.031 176.870 0.020 0.000 1.044 430 L CA 0.237 55.078 54.840 0.002 0.000 0.807 430 L CB 1.510 43.554 42.059 -0.026 0.000 1.192 430 L HN 0.796 nan 8.230 nan 0.000 0.425 431 T N 0.834 115.394 114.554 0.010 0.000 2.853 431 T HA 0.304 4.654 4.350 -0.000 0.000 0.311 431 T C -0.047 174.656 174.700 0.005 0.000 1.307 431 T CA -0.404 61.699 62.100 0.005 0.000 1.019 431 T CB 1.944 70.780 68.868 -0.053 0.000 1.264 431 T HN 0.599 nan 8.240 nan 0.000 0.497 432 E N 0.932 121.142 120.200 0.017 0.000 2.306 432 E HA 0.095 4.445 4.350 -0.000 0.000 0.201 432 E C 2.103 178.711 176.600 0.013 0.000 0.874 432 E CA 1.130 57.547 56.400 0.027 0.000 0.972 432 E CB -0.185 29.547 29.700 0.053 0.000 0.957 432 E HN 0.652 nan 8.360 nan 0.000 0.492 433 S N -0.471 115.229 115.700 0.000 0.000 2.496 433 S HA 0.152 4.622 4.470 -0.000 0.000 0.224 433 S C 1.716 176.273 174.600 -0.072 0.000 0.996 433 S CA 1.110 59.310 58.200 0.001 0.000 0.927 433 S CB 0.296 63.506 63.200 0.017 0.000 0.774 433 S HN 0.316 nan 8.310 nan 0.000 0.524 434 G N 1.857 110.548 108.800 -0.181 0.000 2.241 434 G HA2 -0.333 3.627 3.960 -0.000 0.000 0.244 434 G HA3 -0.333 3.627 3.960 -0.000 0.000 0.244 434 G C 1.038 175.384 174.900 -0.923 0.000 0.998 434 G CA 0.331 45.148 45.100 -0.472 0.000 0.621 434 G HN 0.490 nan 8.290 nan 0.000 0.519 435 R N 0.808 121.001 120.500 -0.511 0.000 2.136 435 R HA -0.165 4.175 4.340 -0.000 0.000 0.242 435 R C 2.795 178.959 176.300 -0.227 0.000 1.131 435 R CA 2.219 58.140 56.100 -0.298 0.000 0.937 435 R CB -0.813 29.459 30.300 -0.047 0.000 0.863 435 R HN 0.427 nan 8.270 nan 0.000 0.435 436 S N 0.264 115.898 115.700 -0.109 0.000 2.380 436 S HA -0.227 4.242 4.470 -0.000 0.000 0.229 436 S C 2.027 176.601 174.600 -0.044 0.000 1.043 436 S CA 1.473 59.669 58.200 -0.007 0.000 1.038 436 S CB -0.270 62.968 63.200 0.064 0.000 0.872 436 S HN 0.561 nan 8.310 nan 0.000 0.456 437 A N 1.455 124.185 122.820 -0.150 0.000 1.897 437 A HA -0.110 4.210 4.320 -0.000 0.000 0.215 437 A C 1.793 179.334 177.584 -0.071 0.000 1.181 437 A CA 1.316 53.294 52.037 -0.098 0.000 0.620 437 A CB -0.832 18.098 19.000 -0.118 0.000 0.821 437 A HN 0.506 nan 8.150 nan 0.000 0.443 438 H N 0.310 119.236 119.070 -0.240 0.000 2.319 438 H HA -0.153 4.403 4.556 -0.000 0.000 0.297 438 H C 2.230 177.490 175.328 -0.115 0.000 1.097 438 H CA 1.776 57.588 56.048 -0.393 0.000 1.285 438 H CB -0.540 28.915 29.762 -0.513 0.000 1.368 438 H HN 0.496 nan 8.280 nan 0.000 0.495 439 Q N 0.275 120.124 119.800 0.082 0.000 2.061 439 Q HA -0.100 4.240 4.340 -0.000 0.000 0.204 439 Q C 2.687 178.788 176.000 0.168 0.000 0.984 439 Q CA 1.188 57.059 55.803 0.113 0.000 0.846 439 Q CB -0.656 28.160 28.738 0.129 0.000 0.902 439 Q HN 0.314 nan 8.270 nan 0.000 0.421 440 V N 1.184 121.185 119.914 0.145 0.000 2.407 440 V HA -0.248 3.872 4.120 -0.000 0.000 0.248 440 V C 2.391 178.579 176.094 0.157 0.000 1.055 440 V CA 1.712 64.112 62.300 0.167 0.000 1.049 440 V CB -1.030 30.852 31.823 0.097 0.000 0.662 440 V HN 0.339 nan 8.190 nan 0.000 0.455 441 A N 0.080 122.973 122.820 0.122 0.000 1.930 441 A HA -0.235 4.085 4.320 -0.000 0.000 0.217 441 A C 2.401 180.051 177.584 0.111 0.000 1.175 441 A CA 1.837 53.956 52.037 0.136 0.000 0.627 441 A CB -0.584 18.522 19.000 0.178 0.000 0.815 441 A HN 0.495 nan 8.150 nan 0.000 0.443 442 R N -1.426 119.097 120.500 0.038 0.000 2.113 442 R HA -0.213 4.127 4.340 -0.000 0.000 0.244 442 R C 1.002 177.167 176.300 -0.226 0.000 1.142 442 R CA 2.069 58.085 56.100 -0.140 0.000 0.953 442 R CB -0.435 29.666 30.300 -0.331 0.000 0.860 442 R HN 0.542 nan 8.270 nan 0.000 0.438 443 Y N 1.353 121.737 120.300 0.140 0.000 2.465 443 Y HA 0.178 4.728 4.550 -0.000 0.000 0.311 443 Y C 0.047 176.122 175.900 0.292 0.000 1.204 443 Y CA 0.002 58.221 58.100 0.199 0.000 1.272 443 Y CB -0.018 38.589 38.460 0.245 0.000 1.083 443 Y HN -0.003 nan 8.280 nan 0.000 0.508 444 R N 0.087 120.754 120.500 0.278 0.000 2.939 444 R HA -0.173 4.167 4.340 -0.000 0.000 0.255 444 R C -2.838 173.639 176.300 0.294 0.000 0.882 444 R CA 0.225 56.494 56.100 0.282 0.000 0.658 444 R CB -1.700 28.781 30.300 0.302 0.000 1.447 444 R HN 0.303 nan 8.270 nan 0.000 0.506 445 P HA 0.078 nan 4.420 nan 0.000 0.276 445 P C 0.503 177.798 177.300 -0.010 0.000 1.261 445 P CA -0.430 62.620 63.100 -0.085 0.000 0.800 445 P CB 0.706 32.310 31.700 -0.161 0.000 1.066 446 R N 0.901 121.313 120.500 -0.146 0.000 2.066 446 R HA 0.108 4.448 4.340 -0.000 0.000 0.224 446 R C 0.901 177.143 176.300 -0.097 0.000 1.122 446 R CA 0.554 56.507 56.100 -0.245 0.000 0.974 446 R CB -0.575 29.480 30.300 -0.408 0.000 0.871 446 R HN 0.567 nan 8.270 nan 0.000 0.435 447 A N 2.570 125.329 122.820 -0.102 0.000 2.366 447 A HA 0.333 4.652 4.320 -0.000 0.000 0.249 447 A C -2.221 175.318 177.584 -0.075 0.000 1.084 447 A CA -1.420 50.566 52.037 -0.085 0.000 0.794 447 A CB -0.052 18.903 19.000 -0.074 0.000 1.034 447 A HN 0.332 nan 8.150 nan 0.000 0.491 448 P HA 0.149 nan 4.420 nan 0.000 0.268 448 P C -0.827 176.467 177.300 -0.009 0.000 1.204 448 P CA 0.406 63.435 63.100 -0.118 0.000 0.768 448 P CB 0.447 31.903 31.700 -0.407 0.000 0.842 449 I N 4.502 125.107 120.570 0.059 0.000 2.282 449 I HA 0.237 4.407 4.170 -0.000 0.000 0.290 449 I C 0.830 177.041 176.117 0.156 0.000 1.090 449 I CA -0.578 60.776 61.300 0.089 0.000 1.231 449 I CB 0.102 38.155 38.000 0.087 0.000 1.434 449 I HN 0.132 nan 8.210 nan 0.000 0.487 450 I N 6.031 126.701 120.570 0.167 0.000 2.347 450 I HA 0.226 4.396 4.170 -0.000 0.000 0.294 450 I C 0.688 176.899 176.117 0.156 0.000 1.090 450 I CA -0.002 61.435 61.300 0.228 0.000 1.314 450 I CB 0.656 38.796 38.000 0.233 0.000 1.423 450 I HN 0.560 nan 8.210 nan 0.000 0.503 451 A N 7.439 130.346 122.820 0.146 0.000 2.256 451 A HA 0.592 4.912 4.320 -0.000 0.000 0.317 451 A C -0.358 177.261 177.584 0.058 0.000 1.318 451 A CA -0.461 51.618 52.037 0.070 0.000 0.894 451 A CB 0.654 19.670 19.000 0.027 0.000 1.165 451 A HN 0.465 nan 8.150 nan 0.000 0.525 452 V N 2.639 122.579 119.914 0.042 0.000 2.432 452 V HA 0.654 4.774 4.120 -0.000 0.000 0.275 452 V C 0.592 176.690 176.094 0.006 0.000 1.043 452 V CA 0.016 62.333 62.300 0.028 0.000 0.925 452 V CB 1.080 32.916 31.823 0.022 0.000 0.985 452 V HN 0.950 nan 8.190 nan 0.000 0.466 453 T N 4.197 118.751 114.554 -0.001 0.000 2.883 453 T HA 0.446 4.796 4.350 -0.000 0.000 0.301 453 T C 0.421 175.116 174.700 -0.007 0.000 1.158 453 T CA -0.636 61.464 62.100 -0.001 0.000 1.007 453 T CB 1.825 70.691 68.868 -0.003 0.000 1.186 453 T HN 0.641 nan 8.240 nan 0.000 0.499 454 R N 1.255 121.768 120.500 0.022 0.000 2.397 454 R HA 0.227 4.567 4.340 -0.000 0.000 0.241 454 R C 0.353 176.720 176.300 0.112 0.000 0.914 454 R CA -0.231 55.896 56.100 0.046 0.000 1.071 454 R CB 0.258 30.598 30.300 0.066 0.000 1.116 454 R HN 0.366 nan 8.270 nan 0.000 0.524 455 N N 1.042 119.795 118.700 0.088 0.000 2.521 455 N HA -0.013 4.727 4.740 -0.000 0.000 0.236 455 N C 0.295 175.891 175.510 0.144 0.000 1.067 455 N CA 0.121 53.250 53.050 0.131 0.000 0.939 455 N CB 0.517 39.054 38.487 0.084 0.000 1.201 455 N HN 0.113 nan 8.380 nan 0.000 0.511 456 H N 1.483 120.584 119.070 0.050 0.000 2.400 456 H HA -0.218 4.338 4.556 -0.000 0.000 0.295 456 H C 1.801 177.169 175.328 0.067 0.000 1.118 456 H CA 2.336 58.424 56.048 0.068 0.000 1.256 456 H CB 0.270 30.071 29.762 0.065 0.000 1.365 456 H HN 0.665 nan 8.280 nan 0.000 0.502 457 Q N 0.152 120.058 119.800 0.177 0.000 2.020 457 Q HA -0.151 4.189 4.340 -0.000 0.000 0.198 457 Q C 2.311 178.373 176.000 0.103 0.000 0.974 457 Q CA 2.222 58.097 55.803 0.120 0.000 0.829 457 Q CB -0.055 28.738 28.738 0.093 0.000 0.894 457 Q HN 0.609 nan 8.270 nan 0.000 0.433 458 T N -1.688 112.923 114.554 0.094 0.000 2.849 458 T HA -0.079 4.271 4.350 -0.000 0.000 0.270 458 T C 1.741 176.482 174.700 0.068 0.000 1.066 458 T CA 1.117 63.273 62.100 0.093 0.000 1.130 458 T CB -0.433 68.473 68.868 0.064 0.000 0.864 458 T HN 0.387 nan 8.240 nan 0.000 0.481 459 A N 1.831 124.673 122.820 0.037 0.000 1.872 459 A HA 0.083 4.402 4.320 -0.000 0.000 0.214 459 A C 2.607 180.165 177.584 -0.044 0.000 1.187 459 A CA 1.236 53.258 52.037 -0.025 0.000 0.614 459 A CB -0.662 18.317 19.000 -0.035 0.000 0.826 459 A HN 0.487 nan 8.150 nan 0.000 0.442 460 R N -0.454 120.075 120.500 0.048 0.000 2.083 460 R HA -0.159 4.181 4.340 -0.000 0.000 0.237 460 R C 2.456 178.850 176.300 0.157 0.000 1.137 460 R CA 1.876 58.048 56.100 0.119 0.000 0.951 460 R CB -0.301 30.073 30.300 0.122 0.000 0.851 460 R HN 0.691 nan 8.270 nan 0.000 0.434 461 Q N -0.476 119.404 119.800 0.134 0.000 2.224 461 Q HA -0.047 4.293 4.340 -0.000 0.000 0.203 461 Q C 2.037 178.179 176.000 0.236 0.000 0.970 461 Q CA 1.038 56.946 55.803 0.174 0.000 0.865 461 Q CB -0.011 28.832 28.738 0.175 0.000 0.922 461 Q HN 0.344 nan 8.270 nan 0.000 0.445 462 A N 0.768 123.692 122.820 0.172 0.000 2.032 462 A HA -0.243 4.077 4.320 -0.000 0.000 0.221 462 A C 1.358 179.061 177.584 0.199 0.000 1.165 462 A CA 1.591 53.747 52.037 0.198 0.000 0.645 462 A CB -0.744 18.261 19.000 0.007 0.000 0.807 462 A HN 0.438 nan 8.150 nan 0.000 0.453 463 H N -0.659 118.497 119.070 0.144 0.000 2.457 463 H HA -0.003 4.553 4.556 -0.000 0.000 0.297 463 H C 1.712 177.091 175.328 0.084 0.000 1.092 463 H CA 1.245 57.345 56.048 0.087 0.000 1.309 463 H CB -0.178 29.601 29.762 0.028 0.000 1.382 463 H HN 0.419 nan 8.280 nan 0.000 0.535 464 L N -0.032 121.297 121.223 0.177 0.000 2.265 464 L HA -0.157 4.183 4.340 -0.000 0.000 0.215 464 L C -0.084 176.647 176.870 -0.232 0.000 1.117 464 L CA 0.664 55.463 54.840 -0.067 0.000 0.782 464 L CB -0.103 41.823 42.059 -0.221 0.000 0.914 464 L HN 0.299 nan 8.230 nan 0.000 0.441 465 Y N -0.549 119.776 120.300 0.042 0.000 2.328 465 Y HA 0.350 4.900 4.550 -0.000 0.000 0.337 465 Y C 0.648 176.589 175.900 0.068 0.000 1.008 465 Y CA -1.243 56.879 58.100 0.037 0.000 1.129 465 Y CB 0.670 39.158 38.460 0.047 0.000 1.185 465 Y HN -0.098 nan 8.280 nan 0.000 0.476 466 R N 1.891 122.497 120.500 0.175 0.000 2.504 466 R HA 0.223 4.562 4.340 -0.000 0.000 0.291 466 R C 1.212 177.611 176.300 0.166 0.000 0.974 466 R CA 1.359 57.546 56.100 0.145 0.000 1.077 466 R CB -0.504 29.864 30.300 0.115 0.000 0.926 466 R HN 0.984 nan 8.270 nan 0.000 0.407 467 G N 3.926 112.817 108.800 0.151 0.000 2.267 467 G HA2 -0.308 3.651 3.960 -0.000 0.000 0.257 467 G HA3 -0.308 3.651 3.960 -0.000 0.000 0.257 467 G C 0.287 175.282 174.900 0.158 0.000 0.998 467 G CA 0.252 45.435 45.100 0.138 0.000 0.620 467 G HN 0.595 nan 8.290 nan 0.000 0.529 468 I N 1.206 121.880 120.570 0.174 0.000 2.436 468 I HA 0.359 4.529 4.170 -0.000 0.000 0.289 468 I C 0.046 176.257 176.117 0.157 0.000 1.083 468 I CA -0.429 60.965 61.300 0.157 0.000 1.372 468 I CB 0.470 38.549 38.000 0.132 0.000 1.408 468 I HN 0.105 nan 8.210 nan 0.000 0.516 469 F N 10.438 130.420 119.950 0.053 0.000 2.303 469 F HA 0.428 4.955 4.527 -0.000 0.000 0.368 469 F C -1.972 173.837 175.800 0.015 0.000 1.105 469 F CA -2.802 55.238 58.000 0.068 0.000 1.153 469 F CB 0.554 39.659 39.000 0.176 0.000 1.362 469 F HN 0.281 nan 8.300 nan 0.000 0.511 470 P HA 0.058 nan 4.420 nan 0.000 0.268 470 P C -1.101 176.163 177.300 -0.060 0.000 1.205 470 P CA 0.116 63.118 63.100 -0.163 0.000 0.771 470 P CB 1.866 33.354 31.700 -0.353 0.000 0.858 471 V N 4.306 124.241 119.914 0.035 0.000 2.532 471 V HA 0.092 4.211 4.120 -0.000 0.000 0.294 471 V C 0.164 176.280 176.094 0.038 0.000 1.036 471 V CA -0.787 61.565 62.300 0.087 0.000 0.876 471 V CB 2.222 34.137 31.823 0.153 0.000 1.012 471 V HN 0.262 nan 8.190 nan 0.000 0.432 472 V N 4.169 124.107 119.914 0.041 0.000 2.427 472 V HA 0.163 4.283 4.120 -0.000 0.000 0.268 472 V C 0.498 176.564 176.094 -0.047 0.000 1.046 472 V CA -0.193 62.069 62.300 -0.063 0.000 0.970 472 V CB 1.171 32.897 31.823 -0.162 0.000 1.001 472 V HN 0.999 nan 8.190 nan 0.000 0.476 473 C N 6.601 125.871 119.300 -0.050 0.000 2.325 473 C HA 0.384 4.844 4.460 -0.000 0.000 0.347 473 C C 1.400 176.383 174.990 -0.012 0.000 1.263 473 C CA -0.531 58.475 59.018 -0.019 0.000 1.806 473 C CB -0.285 27.450 27.740 -0.008 0.000 2.405 473 C HN 1.026 nan 8.230 nan 0.000 0.537 474 K N 2.380 122.780 120.400 -0.001 0.000 2.354 474 K HA 0.113 4.433 4.320 -0.000 0.000 0.194 474 K C 0.296 176.911 176.600 0.025 0.000 1.038 474 K CA 0.006 56.310 56.287 0.028 0.000 1.052 474 K CB 0.153 32.663 32.500 0.016 0.000 0.861 474 K HN 0.735 nan 8.250 nan 0.000 0.535 475 D N 3.179 123.585 120.400 0.010 0.000 2.443 475 D HA 0.017 4.657 4.640 -0.000 0.000 0.239 475 D C -2.153 174.154 176.300 0.011 0.000 1.136 475 D CA -0.705 53.298 54.000 0.005 0.000 0.879 475 D CB 0.708 41.505 40.800 -0.006 0.000 1.195 475 D HN 0.064 nan 8.370 nan 0.000 0.443 476 P HA 0.001 nan 4.420 nan 0.000 0.274 476 P C -0.089 177.219 177.300 0.014 0.000 1.231 476 P CA -0.532 62.578 63.100 0.016 0.000 0.790 476 P CB 0.888 32.596 31.700 0.013 0.000 0.951 477 V N 2.215 122.144 119.914 0.025 0.000 2.493 477 V HA -0.039 4.080 4.120 -0.000 0.000 0.292 477 V C 0.416 176.526 176.094 0.027 0.000 1.016 477 V CA 0.285 62.605 62.300 0.033 0.000 1.097 477 V CB -0.455 31.405 31.823 0.062 0.000 0.947 477 V HN 0.467 nan 8.190 nan 0.000 0.479 478 Q N 4.933 124.740 119.800 0.011 0.000 2.454 478 Q HA 0.169 4.509 4.340 -0.000 0.000 0.247 478 Q C 1.223 177.242 176.000 0.031 0.000 1.028 478 Q CA 0.352 56.159 55.803 0.006 0.000 0.910 478 Q CB 0.771 29.495 28.738 -0.023 0.000 1.276 478 Q HN 0.840 nan 8.270 nan 0.000 0.489 479 E N 0.904 121.117 120.200 0.022 0.000 2.023 479 E HA -0.123 4.227 4.350 -0.000 0.000 0.196 479 E C -0.178 176.451 176.600 0.048 0.000 1.003 479 E CA 1.338 57.756 56.400 0.030 0.000 0.809 479 E CB -0.349 29.360 29.700 0.015 0.000 0.755 479 E HN 0.627 nan 8.360 nan 0.000 0.449 480 A N 1.791 124.632 122.820 0.034 0.000 2.354 480 A HA 0.030 4.350 4.320 -0.000 0.000 0.281 480 A C 0.816 178.448 177.584 0.079 0.000 1.174 480 A CA -0.390 51.675 52.037 0.047 0.000 0.828 480 A CB -0.265 18.739 19.000 0.006 0.000 1.099 480 A HN 0.517 nan 8.150 nan 0.000 0.516 481 W N 3.098 124.349 121.300 -0.082 0.000 2.325 481 W HA -0.276 4.384 4.660 -0.000 0.000 0.299 481 W C 1.563 178.014 176.519 -0.113 0.000 1.215 481 W CA 1.931 59.219 57.345 -0.096 0.000 1.244 481 W CB -0.060 29.328 29.460 -0.120 0.000 1.140 481 W HN 0.782 nan 8.180 nan 0.000 0.523 482 A N 0.679 123.417 122.820 -0.136 0.000 1.898 482 A HA -0.230 4.090 4.320 -0.000 0.000 0.216 482 A C 1.834 179.268 177.584 -0.250 0.000 1.181 482 A CA 1.871 53.754 52.037 -0.257 0.000 0.620 482 A CB -0.904 18.008 19.000 -0.146 0.000 0.819 482 A HN 0.461 nan 8.150 nan 0.000 0.442 483 E N -0.770 119.333 120.200 -0.162 0.000 2.107 483 E HA -0.174 4.176 4.350 -0.000 0.000 0.191 483 E C 1.628 178.126 176.600 -0.170 0.000 0.982 483 E CA 0.972 57.292 56.400 -0.133 0.000 0.809 483 E CB -0.144 29.510 29.700 -0.077 0.000 0.756 483 E HN 0.604 nan 8.360 nan 0.000 0.459 484 D N 0.002 120.282 120.400 -0.199 0.000 2.178 484 D HA -0.127 4.512 4.640 -0.000 0.000 0.201 484 D C 1.772 177.871 176.300 -0.335 0.000 0.980 484 D CA 0.628 54.497 54.000 -0.219 0.000 0.842 484 D CB 0.231 40.925 40.800 -0.177 0.000 0.948 484 D HN -0.047 nan 8.370 nan 0.000 0.472 485 V N 0.526 120.135 119.914 -0.508 0.000 2.283 485 V HA -0.152 3.968 4.120 -0.000 0.000 0.243 485 V C 1.868 177.793 176.094 -0.281 0.000 1.039 485 V CA 1.716 63.713 62.300 -0.506 0.000 1.016 485 V CB -0.468 30.957 31.823 -0.665 0.000 0.650 485 V HN 0.164 nan 8.190 nan 0.000 0.449 486 D N 0.004 120.265 120.400 -0.232 0.000 2.221 486 D HA -0.168 4.472 4.640 -0.000 0.000 0.204 486 D C 2.002 178.235 176.300 -0.112 0.000 0.982 486 D CA 1.146 55.058 54.000 -0.146 0.000 0.857 486 D CB -0.083 40.645 40.800 -0.119 0.000 0.934 486 D HN 0.407 nan 8.370 nan 0.000 0.475 487 L N 0.497 121.647 121.223 -0.122 0.000 2.005 487 L HA -0.143 4.197 4.340 -0.000 0.000 0.207 487 L C 2.302 179.130 176.870 -0.070 0.000 1.072 487 L CA 1.262 56.052 54.840 -0.084 0.000 0.744 487 L CB 0.026 42.035 42.059 -0.084 0.000 0.895 487 L HN -0.158 nan 8.230 nan 0.000 0.433 488 R N -0.896 119.548 120.500 -0.094 0.000 2.148 488 R HA -0.093 4.247 4.340 -0.000 0.000 0.227 488 R C 2.012 178.284 176.300 -0.047 0.000 1.103 488 R CA 1.253 57.312 56.100 -0.067 0.000 0.983 488 R CB -0.379 29.866 30.300 -0.092 0.000 0.874 488 R HN 0.295 nan 8.270 nan 0.000 0.451 489 V N 1.014 120.888 119.914 -0.067 0.000 2.379 489 V HA -0.195 3.925 4.120 -0.000 0.000 0.245 489 V C 1.486 177.573 176.094 -0.011 0.000 1.044 489 V CA 1.857 64.132 62.300 -0.041 0.000 1.036 489 V CB -0.534 31.250 31.823 -0.066 0.000 0.664 489 V HN 0.384 nan 8.190 nan 0.000 0.453 490 N N 0.163 118.850 118.700 -0.021 0.000 2.223 490 N HA -0.174 4.566 4.740 -0.000 0.000 0.185 490 N C 1.750 177.271 175.510 0.018 0.000 1.016 490 N CA 1.041 54.090 53.050 -0.001 0.000 0.863 490 N CB -0.172 38.306 38.487 -0.015 0.000 0.983 490 N HN 0.335 nan 8.380 nan 0.000 0.429 491 L N 1.386 122.615 121.223 0.010 0.000 2.017 491 L HA -0.081 4.259 4.340 -0.000 0.000 0.208 491 L C 2.163 179.060 176.870 0.046 0.000 1.073 491 L CA 1.557 56.410 54.840 0.022 0.000 0.745 491 L CB -0.920 41.148 42.059 0.015 0.000 0.894 491 L HN 0.091 nan 8.230 nan 0.000 0.432 492 A N -0.686 122.171 122.820 0.062 0.000 1.908 492 A HA -0.226 4.094 4.320 -0.000 0.000 0.218 492 A C 2.250 179.936 177.584 0.171 0.000 1.181 492 A CA 2.162 54.264 52.037 0.109 0.000 0.627 492 A CB -0.574 18.489 19.000 0.105 0.000 0.818 492 A HN 0.518 nan 8.150 nan 0.000 0.445 493 M N -0.227 119.469 119.600 0.159 0.000 2.108 493 M HA -0.186 4.294 4.480 -0.000 0.000 0.261 493 M C 1.852 178.271 176.300 0.198 0.000 1.066 493 M CA 1.707 57.157 55.300 0.250 0.000 1.107 493 M CB -1.633 31.041 32.600 0.124 0.000 1.356 493 M HN 0.581 nan 8.290 nan 0.000 0.406 494 N N -0.322 118.424 118.700 0.076 0.000 2.106 494 N HA -0.119 4.621 4.740 -0.000 0.000 0.188 494 N C 1.764 177.231 175.510 -0.071 0.000 1.029 494 N CA 0.978 54.033 53.050 0.008 0.000 0.848 494 N CB 0.062 38.552 38.487 0.005 0.000 1.007 494 N HN 0.041 nan 8.380 nan 0.000 0.423 495 V N 1.014 120.891 119.914 -0.063 0.000 2.282 495 V HA -0.232 3.888 4.120 -0.000 0.000 0.249 495 V C 2.399 178.254 176.094 -0.399 0.000 1.057 495 V CA 2.189 64.399 62.300 -0.149 0.000 1.032 495 V CB -1.206 30.590 31.823 -0.045 0.000 0.645 495 V HN 0.464 nan 8.190 nan 0.000 0.447 496 G N -0.546 108.011 108.800 -0.405 0.000 2.446 496 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.217 496 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.217 496 G C 1.659 175.913 174.900 -1.078 0.000 1.168 496 G CA 0.991 45.510 45.100 -0.970 0.000 0.771 496 G HN 0.482 nan 8.290 nan 0.000 0.551 497 K N 0.534 120.568 120.400 -0.609 0.000 2.057 497 K HA 0.026 4.346 4.320 -0.000 0.000 0.207 497 K C 2.953 179.360 176.600 -0.321 0.000 1.049 497 K CA 1.012 57.092 56.287 -0.346 0.000 0.931 497 K CB -0.228 32.214 32.500 -0.097 0.000 0.714 497 K HN 0.276 nan 8.250 nan 0.000 0.440 498 A N 1.242 123.874 122.820 -0.314 0.000 1.877 498 A HA -0.152 4.168 4.320 -0.000 0.000 0.216 498 A C 2.002 179.377 177.584 -0.347 0.000 1.186 498 A CA 1.449 53.330 52.037 -0.260 0.000 0.620 498 A CB -0.297 18.584 19.000 -0.199 0.000 0.822 498 A HN 0.098 nan 8.150 nan 0.000 0.443 499 R N -1.229 118.906 120.500 -0.609 0.000 2.323 499 R HA 0.186 4.525 4.340 -0.000 0.000 0.198 499 R C 1.229 177.187 176.300 -0.570 0.000 0.988 499 R CA 0.832 56.469 56.100 -0.771 0.000 1.041 499 R CB -0.396 28.924 30.300 -1.633 0.000 0.926 499 R HN 0.837 nan 8.270 nan 0.000 0.476 500 G N -0.708 107.837 108.800 -0.426 0.000 2.147 500 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.244 500 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.244 500 G C 0.484 175.384 174.900 0.000 0.000 1.005 500 G CA 0.175 45.174 45.100 -0.167 0.000 0.713 500 G HN 0.250 nan 8.290 nan 0.000 0.515 501 F N -0.243 119.473 119.950 -0.390 0.000 2.293 501 F HA 0.381 4.908 4.527 -0.000 0.000 0.297 501 F C 1.336 177.040 175.800 -0.161 0.000 1.089 501 F CA 0.595 58.389 58.000 -0.344 0.000 1.377 501 F CB -0.493 38.179 39.000 -0.547 0.000 1.051 501 F HN 0.440 nan 8.300 nan 0.000 0.511 502 F N -1.465 118.565 119.950 0.133 0.000 2.725 502 F HA 0.511 5.038 4.527 -0.000 0.000 0.309 502 F C -0.920 174.895 175.800 0.024 0.000 1.132 502 F CA -2.367 55.670 58.000 0.062 0.000 0.957 502 F CB 0.649 39.681 39.000 0.053 0.000 1.286 502 F HN -0.191 nan 8.300 nan 0.000 0.440 503 K N 0.608 121.179 120.400 0.285 0.000 2.280 503 K HA 0.485 4.805 4.320 -0.000 0.000 0.234 503 K C -0.717 175.982 176.600 0.165 0.000 1.028 503 K CA -1.269 55.121 56.287 0.172 0.000 0.882 503 K CB 1.608 34.161 32.500 0.089 0.000 1.194 503 K HN 0.664 nan 8.250 nan 0.000 0.458 504 K N 0.443 120.905 120.400 0.103 0.000 2.466 504 K HA -0.066 4.254 4.320 -0.000 0.000 0.278 504 K C 0.414 177.039 176.600 0.042 0.000 1.048 504 K CA 1.683 58.009 56.287 0.065 0.000 1.088 504 K CB -0.309 32.216 32.500 0.042 0.000 0.884 504 K HN 0.965 nan 8.250 nan 0.000 0.478 505 G N 3.695 112.506 108.800 0.019 0.000 2.253 505 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.209 505 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.209 505 G C -0.055 174.839 174.900 -0.010 0.000 0.997 505 G CA -0.081 45.021 45.100 0.003 0.000 0.640 505 G HN 0.666 nan 8.290 nan 0.000 0.496 506 D N 0.119 120.514 120.400 -0.008 0.000 2.398 506 D HA 0.509 5.149 4.640 -0.000 0.000 0.247 506 D C 0.587 176.824 176.300 -0.104 0.000 1.227 506 D CA 0.174 54.155 54.000 -0.031 0.000 0.980 506 D CB 1.671 42.479 40.800 0.015 0.000 1.106 506 D HN 0.203 nan 8.370 nan 0.000 0.493 507 V N 0.693 120.542 119.914 -0.109 0.000 2.513 507 V HA 0.510 4.630 4.120 -0.000 0.000 0.299 507 V C 0.304 176.286 176.094 -0.188 0.000 1.035 507 V CA -0.687 61.533 62.300 -0.132 0.000 0.889 507 V CB 1.551 33.324 31.823 -0.083 0.000 0.988 507 V HN 0.432 nan 8.190 nan 0.000 0.440 508 V N 2.934 122.719 119.914 -0.214 0.000 3.114 508 V HA 0.755 4.874 4.120 -0.000 0.000 0.308 508 V C -0.642 175.364 176.094 -0.146 0.000 1.168 508 V CA -0.974 61.192 62.300 -0.223 0.000 1.015 508 V CB 2.135 33.738 31.823 -0.368 0.000 1.050 508 V HN 0.918 nan 8.190 nan 0.000 0.433 509 I N 0.799 121.302 120.570 -0.112 0.000 2.412 509 I HA 0.885 5.055 4.170 -0.000 0.000 0.296 509 I C -0.980 175.101 176.117 -0.059 0.000 0.987 509 I CA -0.891 60.362 61.300 -0.078 0.000 1.180 509 I CB 1.992 39.950 38.000 -0.071 0.000 1.340 509 I HN 0.443 nan 8.210 nan 0.000 0.455 510 V N 7.151 127.040 119.914 -0.042 0.000 2.409 510 V HA 0.409 4.529 4.120 -0.000 0.000 0.291 510 V C -0.020 176.073 176.094 -0.001 0.000 1.020 510 V CA -0.464 61.821 62.300 -0.025 0.000 0.848 510 V CB 1.518 33.321 31.823 -0.033 0.000 0.990 510 V HN 0.607 nan 8.190 nan 0.000 0.430 511 L N 6.070 127.299 121.223 0.010 0.000 2.276 511 L HA 0.649 4.989 4.340 -0.000 0.000 0.286 511 L C 0.474 177.364 176.870 0.034 0.000 1.024 511 L CA 0.047 54.906 54.840 0.032 0.000 0.826 511 L CB 1.585 43.669 42.059 0.042 0.000 1.211 511 L HN 0.896 nan 8.230 nan 0.000 0.422 512 T N -0.460 114.123 114.554 0.048 0.000 2.742 512 T HA 0.727 5.077 4.350 -0.000 0.000 0.282 512 T C -0.040 174.728 174.700 0.114 0.000 1.025 512 T CA -0.746 61.386 62.100 0.054 0.000 1.020 512 T CB 1.865 70.736 68.868 0.005 0.000 1.317 512 T HN 0.442 nan 8.240 nan 0.000 0.538 513 G N -0.718 108.213 108.800 0.217 0.000 2.372 513 G HA2 0.409 4.369 3.960 -0.000 0.000 0.323 513 G HA3 0.409 4.369 3.960 -0.000 0.000 0.323 513 G C 0.330 175.499 174.900 0.449 0.000 1.152 513 G CA -0.904 44.358 45.100 0.270 0.000 0.906 513 G HN 0.801 nan 8.290 nan 0.000 0.460 514 W N 3.605 124.962 121.300 0.094 0.000 2.333 514 W HA -0.060 4.600 4.660 -0.000 0.000 0.316 514 W C 1.055 177.700 176.519 0.211 0.000 1.215 514 W CA 1.187 58.609 57.345 0.128 0.000 1.278 514 W CB 0.352 29.811 29.460 -0.001 0.000 1.154 514 W HN 0.551 nan 8.180 nan 0.000 0.486 515 R N 0.190 120.687 120.500 -0.005 0.000 2.803 515 R HA 0.282 4.622 4.340 -0.000 0.000 0.276 515 R C -1.746 173.860 176.300 -1.156 0.000 0.978 515 R CA -1.391 54.372 56.100 -0.562 0.000 0.939 515 R CB 1.126 31.259 30.300 -0.279 0.000 1.179 515 R HN -0.223 nan 8.270 nan 0.000 0.472 516 P HA -0.181 nan 4.420 nan 0.000 0.218 516 P C 0.989 177.798 177.300 -0.819 0.000 1.146 516 P CA 1.905 63.804 63.100 -2.001 0.000 0.813 516 P CB -0.028 30.952 31.700 -1.201 0.000 0.778 517 G N -0.621 107.865 108.800 -0.522 0.000 2.880 517 G HA2 -0.021 3.939 3.960 -0.000 0.000 0.209 517 G HA3 -0.021 3.939 3.960 -0.000 0.000 0.209 517 G C 0.507 175.306 174.900 -0.170 0.000 1.157 517 G CA -0.064 44.878 45.100 -0.263 0.000 0.779 517 G HN 0.220 nan 8.290 nan 0.000 0.539 518 S N 0.326 115.910 115.700 -0.194 0.000 2.552 518 S HA 0.295 4.765 4.470 -0.000 0.000 0.289 518 S C 1.542 176.111 174.600 -0.053 0.000 1.304 518 S CA 0.184 58.307 58.200 -0.129 0.000 1.063 518 S CB 1.427 64.525 63.200 -0.171 0.000 0.848 518 S HN 0.313 nan 8.310 nan 0.000 0.499 519 G N 1.694 110.530 108.800 0.059 0.000 3.124 519 G HA2 0.401 4.361 3.960 -0.000 0.000 0.212 519 G HA3 0.401 4.361 3.960 -0.000 0.000 0.212 519 G C -0.020 175.089 174.900 0.349 0.000 1.181 519 G CA -0.065 45.147 45.100 0.187 0.000 0.803 519 G HN 0.683 nan 8.290 nan 0.000 0.529 520 F N -3.869 116.107 119.950 0.044 0.000 2.944 520 F HA 0.418 4.945 4.527 -0.000 0.000 0.324 520 F C -0.696 175.150 175.800 0.076 0.000 1.151 520 F CA -1.461 56.568 58.000 0.048 0.000 0.883 520 F CB 0.458 39.479 39.000 0.035 0.000 1.341 520 F HN -0.283 nan 8.300 nan 0.000 0.456 521 T N 2.404 117.026 114.554 0.113 0.000 2.978 521 T HA 0.173 4.523 4.350 -0.000 0.000 0.278 521 T C 0.621 175.277 174.700 -0.073 0.000 0.945 521 T CA 0.361 62.471 62.100 0.017 0.000 1.070 521 T CB -0.889 68.049 68.868 0.117 0.000 0.948 521 T HN 0.655 nan 8.240 nan 0.000 0.617 522 N N 1.101 119.563 118.700 -0.397 0.000 2.280 522 N HA 0.036 4.775 4.740 -0.000 0.000 0.192 522 N C -0.161 175.312 175.510 -0.061 0.000 1.109 522 N CA -0.409 52.457 53.050 -0.306 0.000 0.855 522 N CB 0.541 38.669 38.487 -0.599 0.000 0.974 522 N HN 0.251 nan 8.380 nan 0.000 0.482 523 T N 1.184 115.749 114.554 0.019 0.000 2.840 523 T HA 0.512 4.862 4.350 -0.000 0.000 0.287 523 T C -0.408 174.335 174.700 0.071 0.000 0.991 523 T CA -0.765 61.385 62.100 0.084 0.000 0.964 523 T CB 1.324 70.344 68.868 0.252 0.000 0.954 523 T HN 0.347 nan 8.240 nan 0.000 0.438 524 M N 2.373 122.000 119.600 0.046 0.000 2.602 524 M HA 0.847 5.326 4.480 -0.000 0.000 0.312 524 M C -0.999 175.314 176.300 0.022 0.000 1.181 524 M CA -0.543 54.775 55.300 0.030 0.000 0.910 524 M CB 2.257 34.867 32.600 0.017 0.000 1.723 524 M HN 0.356 nan 8.290 nan 0.000 0.459 525 R N 1.142 121.646 120.500 0.006 0.000 2.643 525 R HA 0.686 5.025 4.340 -0.000 0.000 0.269 525 R C -1.861 174.423 176.300 -0.026 0.000 1.037 525 R CA -0.990 55.109 56.100 -0.002 0.000 0.894 525 R CB 2.782 33.088 30.300 0.010 0.000 1.238 525 R HN 0.657 nan 8.270 nan 0.000 0.459 526 V N 3.470 123.366 119.914 -0.031 0.000 2.364 526 V HA 0.419 4.539 4.120 -0.000 0.000 0.272 526 V C -0.343 175.722 176.094 -0.049 0.000 1.036 526 V CA -0.413 61.859 62.300 -0.047 0.000 0.880 526 V CB 1.449 33.247 31.823 -0.043 0.000 0.991 526 V HN 0.419 nan 8.190 nan 0.000 0.460 527 V N 7.009 126.881 119.914 -0.070 0.000 2.876 527 V HA 0.507 4.627 4.120 -0.000 0.000 0.312 527 V C -2.615 173.422 176.094 -0.096 0.000 1.085 527 V CA -2.170 60.087 62.300 -0.072 0.000 0.945 527 V CB 2.520 34.300 31.823 -0.072 0.000 1.017 527 V HN 0.652 nan 8.190 nan 0.000 0.428 528 P HA 0.226 nan 4.420 nan 0.000 0.284 528 P C 0.638 177.880 177.300 -0.098 0.000 1.253 528 P CA -0.047 63.005 63.100 -0.080 0.000 0.800 528 P CB 1.518 33.189 31.700 -0.048 0.000 0.961 529 V N 4.091 123.930 119.914 -0.125 0.000 2.379 529 V HA 0.007 4.127 4.120 -0.000 0.000 0.245 529 V C -1.468 174.611 176.094 -0.024 0.000 1.044 529 V CA 1.068 63.295 62.300 -0.123 0.000 1.036 529 V CB -1.869 29.849 31.823 -0.174 0.000 0.664 529 V HN 0.589 nan 8.190 nan 0.000 0.453 530 P HA 0.000 nan 4.420 nan 0.000 0.216 530 P CA 0.000 63.107 63.100 0.011 0.000 0.800 530 P CB 0.000 31.699 31.700 -0.002 0.000 0.726