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 2ogj_1_E DATA FIRST_RESID 14 DATA SEQUENCE QAPILLTNVK PVGFGKXXXQ SSTDILIGGD GKIAAVGSAL QAPADTQRID DATA SEQUENCE AXXAFISPGW VDLHVHIWHG GTDISIRPSE CGAERGVTTL VDAGSAGEAN DATA SEQUENCE FHGFREYIIE PSRERIKAFL NLGSIGLVAC NRVPELRDIK DIDLDRILEC DATA SEQUENCE YAENSEHIVG LXVRASHVIT GSWGVTPVKL GKKIAKILKV PXXVHVGEPP DATA SEQUENCE ALYDEVLEIL GPGDVVTHCF NGKSGSSIXE DEDLFNLAER CXXEGIRLDI DATA SEQUENCE GHGGASFSFK VAEAAIARGL LPFSISTDLH GHSXNFPVWD LATTXSKLLS DATA SEQUENCE VDXPFENVVE AVTRNPASVI RLDXENRLDV GQRADFTVFD LVDADLEATD DATA SEQUENCE SNGDVSRLKR LFEPRYAVIG AEAIAASRY 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 14 Q HA 0.000 nan 4.340 nan 0.000 0.214 14 Q C 0.000 176.005 176.000 0.009 0.000 1.003 14 Q CA 0.000 55.808 55.803 0.008 0.000 1.022 14 Q CB 0.000 28.742 28.738 0.006 0.000 1.108 15 A N 1.818 124.645 122.820 0.011 0.000 3.047 15 A HA 0.673 4.993 4.320 -0.000 0.000 0.337 15 A C -2.442 175.149 177.584 0.013 0.000 1.143 15 A CA -1.455 50.590 52.037 0.012 0.000 0.905 15 A CB 0.272 19.281 19.000 0.016 0.000 1.088 15 A HN 0.237 nan 8.150 nan 0.000 0.488 16 P HA 0.313 nan 4.420 nan 0.000 0.268 16 P C -0.569 176.733 177.300 0.004 0.000 1.205 16 P CA 0.430 63.535 63.100 0.009 0.000 0.771 16 P CB 1.077 32.781 31.700 0.005 0.000 0.858 17 I N 2.616 123.189 120.570 0.004 0.000 2.534 17 I HA 0.299 4.468 4.170 -0.000 0.000 0.288 17 I C -0.055 176.047 176.117 -0.025 0.000 1.077 17 I CA -0.921 60.372 61.300 -0.012 0.000 1.051 17 I CB 2.487 40.482 38.000 -0.008 0.000 1.234 17 I HN 0.190 nan 8.210 nan 0.000 0.425 18 L N 6.966 128.163 121.223 -0.043 0.000 2.264 18 L HA 0.442 4.782 4.340 -0.000 0.000 0.287 18 L C -1.068 175.749 176.870 -0.088 0.000 1.039 18 L CA -0.745 54.062 54.840 -0.055 0.000 0.829 18 L CB 0.899 42.930 42.059 -0.047 0.000 1.211 18 L HN 0.480 nan 8.230 nan 0.000 0.427 19 L N 5.386 126.545 121.223 -0.107 0.000 2.268 19 L HA 0.386 4.726 4.340 -0.000 0.000 0.289 19 L C 0.029 176.814 176.870 -0.141 0.000 1.064 19 L CA 0.352 55.100 54.840 -0.154 0.000 0.824 19 L CB 1.077 43.022 42.059 -0.191 0.000 1.202 19 L HN 0.550 nan 8.230 nan 0.000 0.433 20 T N 3.418 117.895 114.554 -0.129 0.000 2.928 20 T HA 0.322 4.672 4.350 -0.000 0.000 0.284 20 T C -0.045 174.592 174.700 -0.106 0.000 1.008 20 T CA -0.759 61.279 62.100 -0.105 0.000 1.057 20 T CB 0.663 69.481 68.868 -0.083 0.000 1.018 20 T HN 0.559 nan 8.240 nan 0.000 0.493 21 N N 0.910 119.553 118.700 -0.094 0.000 2.637 21 N HA -0.124 4.615 4.740 -0.000 0.000 0.287 21 N C -0.586 174.858 175.510 -0.108 0.000 1.130 21 N CA 0.463 53.457 53.050 -0.093 0.000 0.764 21 N CB -1.145 37.293 38.487 -0.082 0.000 0.935 21 N HN 0.677 nan 8.380 nan 0.000 0.558 22 V N -1.616 118.231 119.914 -0.112 0.000 2.656 22 V HA 0.494 4.614 4.120 -0.000 0.000 0.307 22 V C 0.290 176.335 176.094 -0.081 0.000 1.051 22 V CA -1.063 61.170 62.300 -0.111 0.000 0.893 22 V CB 2.795 34.544 31.823 -0.124 0.000 0.999 22 V HN 0.133 nan 8.190 nan 0.000 0.426 23 K N 3.964 124.323 120.400 -0.069 0.000 2.244 23 K HA 0.399 4.719 4.320 -0.000 0.000 0.263 23 K C -2.726 173.993 176.600 0.199 0.000 1.103 23 K CA -1.600 54.701 56.287 0.024 0.000 0.966 23 K CB 1.259 33.729 32.500 -0.049 0.000 1.429 23 K HN 0.504 nan 8.250 nan 0.000 0.434 24 P HA -0.086 nan 4.420 nan 0.000 0.260 24 P C -0.686 176.856 177.300 0.404 0.000 1.185 24 P CA 0.092 63.346 63.100 0.257 0.000 0.763 24 P CB 0.646 32.353 31.700 0.011 0.000 0.776 25 V N 3.119 123.384 119.914 0.585 0.000 3.049 25 V HA 0.765 4.885 4.120 -0.000 0.000 0.309 25 V C 0.321 176.646 176.094 0.386 0.000 1.148 25 V CA 0.262 62.851 62.300 0.482 0.000 0.990 25 V CB 1.851 33.902 31.823 0.379 0.000 1.039 25 V HN 0.742 nan 8.190 nan 0.000 0.430 26 G N 3.990 112.926 108.800 0.226 0.000 2.207 26 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.216 26 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.216 26 G C -0.462 174.240 174.900 -0.331 0.000 1.053 26 G CA 0.678 45.720 45.100 -0.096 0.000 0.764 26 G HN 0.986 nan 8.290 nan 0.000 0.495 27 F N -0.995 119.018 119.950 0.105 0.000 1.868 27 F HA 0.533 5.060 4.527 -0.000 0.000 0.245 27 F C 1.446 177.289 175.800 0.073 0.000 1.114 27 F CA 0.429 58.484 58.000 0.092 0.000 1.261 27 F CB 0.198 39.261 39.000 0.105 0.000 1.620 27 F HN 0.651 nan 8.300 nan 0.000 0.567 28 G N 1.649 110.638 108.800 0.316 0.000 2.460 28 G HA2 0.576 4.536 3.960 -0.000 0.000 0.299 28 G HA3 0.576 4.536 3.960 -0.000 0.000 0.299 28 G C -1.099 173.891 174.900 0.151 0.000 1.592 28 G CA -0.477 44.731 45.100 0.180 0.000 1.008 28 G HN 0.058 nan 8.290 nan 0.000 0.513 34 S N 0.493 116.209 115.700 0.027 0.000 2.535 34 S HA 0.571 5.041 4.470 -0.000 0.000 0.272 34 S C -0.414 174.177 174.600 -0.014 0.000 1.149 34 S CA 0.203 58.400 58.200 -0.004 0.000 0.888 34 S CB 1.416 64.612 63.200 -0.007 0.000 1.110 34 S HN 0.230 nan 8.310 nan 0.000 0.463 35 S N 2.725 118.401 115.700 -0.041 0.000 2.641 35 S HA 0.802 5.272 4.470 -0.000 0.000 0.261 35 S C 0.412 174.979 174.600 -0.055 0.000 1.257 35 S CA 0.170 58.336 58.200 -0.056 0.000 0.983 35 S CB 1.276 64.427 63.200 -0.081 0.000 0.990 35 S HN 1.095 nan 8.310 nan 0.000 0.572 36 T N -1.012 113.500 114.554 -0.070 0.000 2.663 36 T HA 0.450 4.800 4.350 -0.000 0.000 0.302 36 T C -2.418 172.228 174.700 -0.089 0.000 1.523 36 T CA -0.634 61.422 62.100 -0.072 0.000 1.011 36 T CB 0.927 69.751 68.868 -0.074 0.000 1.841 36 T HN 0.721 nan 8.240 nan 0.000 0.462 37 D N 1.270 121.616 120.400 -0.090 0.000 2.645 37 D HA 0.606 5.245 4.640 -0.000 0.000 0.228 37 D C -0.805 175.431 176.300 -0.107 0.000 1.148 37 D CA -0.321 53.620 54.000 -0.100 0.000 0.860 37 D CB 1.727 42.481 40.800 -0.077 0.000 1.548 37 D HN 0.705 nan 8.370 nan 0.000 0.460 38 I N -0.692 119.803 120.570 -0.126 0.000 2.499 38 I HA 0.543 4.713 4.170 -0.000 0.000 0.288 38 I C -1.402 174.674 176.117 -0.068 0.000 1.048 38 I CA -1.014 60.221 61.300 -0.109 0.000 1.062 38 I CB 1.470 39.356 38.000 -0.189 0.000 1.238 38 I HN 0.208 nan 8.210 nan 0.000 0.426 39 L N 7.263 128.469 121.223 -0.028 0.000 2.295 39 L HA 0.641 4.981 4.340 -0.000 0.000 0.285 39 L C -0.894 175.991 176.870 0.025 0.000 1.035 39 L CA -0.144 54.690 54.840 -0.010 0.000 0.806 39 L CB 1.166 43.218 42.059 -0.011 0.000 1.214 39 L HN 0.569 nan 8.230 nan 0.000 0.426 40 I N 5.069 125.660 120.570 0.035 0.000 2.389 40 I HA 0.453 4.622 4.170 -0.000 0.000 0.288 40 I C 0.869 177.009 176.117 0.038 0.000 0.999 40 I CA -0.629 60.709 61.300 0.063 0.000 1.129 40 I CB 1.584 39.643 38.000 0.099 0.000 1.288 40 I HN 0.776 nan 8.210 nan 0.000 0.444 41 G N 3.219 112.039 108.800 0.034 0.000 2.634 41 G HA2 0.265 4.225 3.960 -0.000 0.000 0.255 41 G HA3 0.265 4.225 3.960 -0.000 0.000 0.255 41 G C 1.050 175.963 174.900 0.021 0.000 1.205 41 G CA -0.117 44.996 45.100 0.022 0.000 0.884 41 G HN 0.849 nan 8.290 nan 0.000 0.549 42 G N -0.596 108.213 108.800 0.015 0.000 2.625 42 G HA2 -0.088 3.872 3.960 -0.000 0.000 0.214 42 G HA3 -0.088 3.872 3.960 -0.000 0.000 0.214 42 G C 1.067 175.975 174.900 0.012 0.000 1.132 42 G CA 1.236 46.343 45.100 0.013 0.000 0.782 42 G HN 0.670 nan 8.290 nan 0.000 0.538 43 D N -1.075 119.332 120.400 0.012 0.000 2.349 43 D HA 0.180 4.820 4.640 -0.000 0.000 0.215 43 D C 1.695 178.001 176.300 0.010 0.000 1.016 43 D CA 0.531 54.536 54.000 0.009 0.000 0.870 43 D CB -0.480 40.325 40.800 0.008 0.000 0.917 43 D HN 0.383 nan 8.370 nan 0.000 0.524 44 G N 0.137 108.947 108.800 0.016 0.000 2.141 44 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.242 44 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.242 44 G C -0.105 174.806 174.900 0.017 0.000 0.982 44 G CA 0.132 45.242 45.100 0.017 0.000 0.662 44 G HN 0.488 nan 8.290 nan 0.000 0.527 45 K N -0.010 120.405 120.400 0.025 0.000 2.207 45 K HA 0.644 4.964 4.320 -0.000 0.000 0.255 45 K C 0.627 177.258 176.600 0.053 0.000 0.941 45 K CA -1.129 55.176 56.287 0.030 0.000 0.825 45 K CB 1.974 34.486 32.500 0.020 0.000 1.119 45 K HN 0.184 nan 8.250 nan 0.000 0.430 46 I N 2.465 123.080 120.570 0.076 0.000 2.741 46 I HA -0.171 3.999 4.170 -0.000 0.000 0.288 46 I C 1.132 177.283 176.117 0.056 0.000 1.192 46 I CA 0.388 61.746 61.300 0.097 0.000 1.426 46 I CB 0.688 38.767 38.000 0.130 0.000 1.367 46 I HN 0.873 nan 8.210 nan 0.000 0.563 47 A N 5.563 128.409 122.820 0.044 0.000 2.063 47 A HA 0.678 4.998 4.320 -0.000 0.000 0.211 47 A C 0.810 178.403 177.584 0.016 0.000 1.177 47 A CA 0.842 52.894 52.037 0.025 0.000 0.759 47 A CB 0.249 19.260 19.000 0.018 0.000 0.857 47 A HN 0.859 nan 8.150 nan 0.000 0.468 48 A N -1.875 120.953 122.820 0.013 0.000 2.569 48 A HA 0.548 4.868 4.320 -0.000 0.000 0.292 48 A C -1.715 175.861 177.584 -0.014 0.000 1.032 48 A CA -0.233 51.804 52.037 -0.001 0.000 0.669 48 A CB 0.491 19.487 19.000 -0.007 0.000 1.290 48 A HN 0.693 nan 8.150 nan 0.000 0.422 49 V N 0.543 120.442 119.914 -0.025 0.000 2.668 49 V HA 0.878 4.998 4.120 -0.000 0.000 0.304 49 V C 0.376 176.443 176.094 -0.046 0.000 1.071 49 V CA 0.458 62.730 62.300 -0.047 0.000 0.894 49 V CB 1.624 33.411 31.823 -0.060 0.000 1.008 49 V HN 2.200 nan 8.190 nan 0.000 0.425 50 G N 2.060 110.829 108.800 -0.052 0.000 2.368 50 G HA2 0.463 4.423 3.960 -0.000 0.000 0.293 50 G HA3 0.463 4.423 3.960 -0.000 0.000 0.293 50 G C 0.528 175.400 174.900 -0.047 0.000 1.467 50 G CA 0.260 45.333 45.100 -0.044 0.000 0.804 50 G HN 0.860 nan 8.290 nan 0.000 0.535 51 S N -0.434 115.242 115.700 -0.040 0.000 2.351 51 S HA 0.198 4.668 4.470 -0.000 0.000 0.220 51 S C 1.383 175.960 174.600 -0.039 0.000 1.035 51 S CA 1.908 60.084 58.200 -0.040 0.000 1.031 51 S CB -0.128 63.053 63.200 -0.033 0.000 0.928 51 S HN 2.100 nan 8.310 nan 0.000 0.433 52 A N 1.387 124.187 122.820 -0.033 0.000 2.586 52 A HA 0.708 5.028 4.320 -0.000 0.000 0.320 52 A C -0.439 177.128 177.584 -0.029 0.000 1.281 52 A CA -0.794 51.224 52.037 -0.031 0.000 0.775 52 A CB 0.278 19.262 19.000 -0.026 0.000 1.122 52 A HN 0.454 nan 8.150 nan 0.000 0.470 53 L N 0.933 122.137 121.223 -0.032 0.000 2.357 53 L HA 0.562 4.902 4.340 -0.000 0.000 0.273 53 L C 0.379 177.233 176.870 -0.025 0.000 1.080 53 L CA -0.811 54.012 54.840 -0.028 0.000 0.803 53 L CB 1.380 43.419 42.059 -0.032 0.000 1.174 53 L HN 0.726 nan 8.230 nan 0.000 0.443 54 Q N 1.591 121.379 119.800 -0.020 0.000 2.215 54 Q HA 0.802 5.141 4.340 -0.000 0.000 0.256 54 Q C -1.301 174.689 176.000 -0.016 0.000 0.972 54 Q CA -0.434 55.358 55.803 -0.018 0.000 0.889 54 Q CB 2.105 30.834 28.738 -0.014 0.000 1.281 54 Q HN 0.702 nan 8.270 nan 0.000 0.456 55 A N 3.295 126.106 122.820 -0.015 0.000 2.547 55 A HA 0.739 5.059 4.320 -0.000 0.000 0.297 55 A C -2.708 174.870 177.584 -0.011 0.000 1.056 55 A CA -1.221 50.808 52.037 -0.013 0.000 0.688 55 A CB 1.428 20.418 19.000 -0.017 0.000 1.282 55 A HN 0.715 nan 8.150 nan 0.000 0.400 56 P HA 0.520 nan 4.420 nan 0.000 0.292 56 P C 0.206 177.503 177.300 -0.005 0.000 1.283 56 P CA 0.416 63.512 63.100 -0.006 0.000 0.835 56 P CB 1.643 33.340 31.700 -0.004 0.000 1.017 57 A N 2.716 125.533 122.820 -0.005 0.000 1.860 57 A HA -0.156 4.164 4.320 -0.000 0.000 0.246 57 A C 0.414 177.995 177.584 -0.004 0.000 1.217 57 A CA 1.252 53.287 52.037 -0.004 0.000 0.766 57 A CB -1.959 17.039 19.000 -0.002 0.000 1.122 57 A HN 0.699 nan 8.150 nan 0.000 0.316 58 D N -0.576 119.820 120.400 -0.006 0.000 2.552 58 D HA 0.508 5.147 4.640 -0.000 0.000 0.239 58 D C -0.513 175.781 176.300 -0.010 0.000 1.139 58 D CA -0.495 53.501 54.000 -0.007 0.000 0.914 58 D CB 0.821 41.616 40.800 -0.008 0.000 1.461 58 D HN 0.059 nan 8.370 nan 0.000 0.462 59 T N 1.372 115.920 114.554 -0.010 0.000 2.814 59 T HA 0.207 4.557 4.350 -0.000 0.000 0.297 59 T C 0.191 174.872 174.700 -0.031 0.000 0.956 59 T CA -0.209 61.882 62.100 -0.015 0.000 1.123 59 T CB 0.788 69.651 68.868 -0.008 0.000 0.902 59 T HN 0.189 nan 8.240 nan 0.000 0.528 60 Q N 2.019 121.797 119.800 -0.036 0.000 2.240 60 Q HA 0.658 4.998 4.340 -0.000 0.000 0.260 60 Q C -0.125 175.827 176.000 -0.081 0.000 1.018 60 Q CA -0.982 54.788 55.803 -0.055 0.000 0.898 60 Q CB 1.988 30.700 28.738 -0.043 0.000 1.301 60 Q HN 0.474 nan 8.270 nan 0.000 0.469 61 R N 1.457 121.889 120.500 -0.113 0.000 3.090 61 R HA 0.283 4.623 4.340 -0.000 0.000 0.279 61 R C -1.554 174.654 176.300 -0.153 0.000 1.462 61 R CA -0.080 55.921 56.100 -0.166 0.000 1.044 61 R CB 0.642 30.744 30.300 -0.331 0.000 1.365 61 R HN 0.812 nan 8.270 nan 0.000 0.399 62 I N 2.681 123.197 120.570 -0.090 0.000 3.432 62 I HA 0.381 4.551 4.170 -0.000 0.000 0.291 62 I C -1.006 175.078 176.117 -0.055 0.000 1.127 62 I CA 0.095 61.352 61.300 -0.073 0.000 0.962 62 I CB 1.007 38.979 38.000 -0.046 0.000 1.550 62 I HN 0.789 nan 8.210 nan 0.000 0.736 63 D N 2.850 123.223 120.400 -0.045 0.000 2.141 63 D HA 0.462 5.102 4.640 -0.000 0.000 0.146 63 D C -1.303 174.963 176.300 -0.056 0.000 1.035 63 D CA -0.406 53.580 54.000 -0.022 0.000 0.976 63 D CB 0.023 40.828 40.800 0.008 0.000 3.523 63 D HN 0.934 nan 8.370 nan 0.000 0.515 68 F N 0.980 120.756 119.950 -0.289 0.000 2.563 68 F HA 0.512 5.039 4.527 -0.000 0.000 0.363 68 F C 0.386 175.946 175.800 -0.400 0.000 1.123 68 F CA 0.428 58.157 58.000 -0.452 0.000 1.307 68 F CB 0.547 38.956 39.000 -0.984 0.000 1.115 68 F HN 0.290 nan 8.300 nan 0.000 0.592 69 I N 2.777 123.420 120.570 0.122 0.000 2.548 69 I HA 0.439 4.609 4.170 -0.000 0.000 0.287 69 I C -0.939 175.445 176.117 0.445 0.000 1.103 69 I CA -0.035 61.394 61.300 0.214 0.000 1.049 69 I CB 1.254 39.289 38.000 0.058 0.000 1.232 69 I HN 0.664 nan 8.210 nan 0.000 0.429 70 S N 6.282 122.290 115.700 0.514 0.000 2.704 70 S HA 0.755 5.225 4.470 -0.000 0.000 0.296 70 S C -3.010 171.750 174.600 0.266 0.000 1.138 70 S CA -1.596 56.813 58.200 0.349 0.000 0.875 70 S CB 1.994 65.433 63.200 0.399 0.000 1.151 70 S HN 0.308 nan 8.310 nan 0.000 0.500 71 P HA 0.256 nan 4.420 nan 0.000 0.269 71 P C 0.280 177.626 177.300 0.076 0.000 1.215 71 P CA 0.214 63.329 63.100 0.025 0.000 0.780 71 P CB -0.030 31.585 31.700 -0.140 0.000 0.898 72 G N 2.207 111.022 108.800 0.025 0.000 2.138 72 G HA2 -0.076 3.884 3.960 -0.000 0.000 0.244 72 G HA3 -0.076 3.884 3.960 -0.000 0.000 0.244 72 G C -0.474 174.499 174.900 0.121 0.000 1.166 72 G CA -0.419 44.688 45.100 0.012 0.000 0.902 72 G HN 0.335 nan 8.290 nan 0.000 0.460 73 W N 1.205 122.474 121.300 -0.052 0.000 2.148 73 W HA 0.373 5.033 4.660 -0.000 0.000 0.347 73 W C 0.165 176.629 176.519 -0.092 0.000 1.288 73 W CA -0.727 56.551 57.345 -0.113 0.000 1.252 73 W CB 0.253 29.623 29.460 -0.150 0.000 1.156 73 W HN 0.239 nan 8.180 nan 0.000 0.580 74 V N 2.743 122.721 119.914 0.107 0.000 2.588 74 V HA 0.175 4.294 4.120 -0.000 0.000 0.304 74 V C -0.567 175.525 176.094 -0.004 0.000 1.042 74 V CA -0.899 61.424 62.300 0.038 0.000 0.877 74 V CB 1.975 33.798 31.823 -0.000 0.000 0.996 74 V HN 0.295 nan 8.190 nan 0.000 0.425 75 D N 3.042 123.455 120.400 0.021 0.000 2.414 75 D HA 0.295 4.935 4.640 -0.000 0.000 0.232 75 D C 0.424 176.752 176.300 0.047 0.000 1.070 75 D CA -0.381 53.625 54.000 0.010 0.000 0.839 75 D CB 2.063 42.880 40.800 0.027 0.000 1.079 75 D HN 0.393 nan 8.370 nan 0.000 0.521 76 L N 3.987 125.243 121.223 0.056 0.000 2.395 76 L HA 0.060 4.400 4.340 -0.000 0.000 0.218 76 L C 0.272 177.263 176.870 0.203 0.000 1.130 76 L CA 1.279 56.199 54.840 0.134 0.000 0.826 76 L CB -0.351 41.790 42.059 0.137 0.000 0.941 76 L HN 0.502 nan 8.230 nan 0.000 0.451 77 H N -0.411 118.670 119.070 0.018 0.000 2.953 77 H HA 0.570 5.126 4.556 -0.000 0.000 0.290 77 H C -1.401 173.897 175.328 -0.051 0.000 1.113 77 H CA -0.571 55.461 56.048 -0.027 0.000 1.454 77 H CB 0.763 30.488 29.762 -0.062 0.000 1.525 77 H HN -0.068 nan 8.280 nan 0.000 0.505 78 V N 1.499 121.491 119.914 0.131 0.000 3.159 78 V HA 0.465 4.585 4.120 -0.000 0.000 0.308 78 V C -1.116 174.902 176.094 -0.126 0.000 1.190 78 V CA -0.932 61.414 62.300 0.077 0.000 1.037 78 V CB 2.511 34.394 31.823 0.099 0.000 1.060 78 V HN 0.726 nan 8.190 nan 0.000 0.437 79 H N 3.637 122.859 119.070 0.254 0.000 2.792 79 H HA 0.536 5.092 4.556 -0.000 0.000 0.298 79 H C -0.069 175.415 175.328 0.259 0.000 1.042 79 H CA 0.016 56.206 56.048 0.235 0.000 1.300 79 H CB 1.778 31.659 29.762 0.198 0.000 1.431 79 H HN 0.900 nan 8.280 nan 0.000 0.496 80 I N -1.489 119.312 120.570 0.386 0.000 3.707 80 I HA 0.208 4.378 4.170 -0.000 0.000 0.330 80 I C 0.131 176.607 176.117 0.599 0.000 1.572 80 I CA -0.391 61.150 61.300 0.401 0.000 1.104 80 I CB 0.188 38.360 38.000 0.286 0.000 1.240 80 I HN 0.353 nan 8.210 nan 0.000 0.475 81 W N 3.415 124.952 121.300 0.395 0.000 1.694 81 W HA 0.247 4.906 4.660 -0.000 0.000 0.425 81 W C 0.488 177.137 176.519 0.217 0.000 0.615 81 W CA -0.981 56.617 57.345 0.422 0.000 2.237 81 W CB -0.001 29.640 29.460 0.301 0.000 1.478 81 W HN 0.349 nan 8.180 nan 0.000 0.427 82 H N 1.352 120.705 119.070 0.471 0.000 3.094 82 H HA 0.169 4.725 4.556 -0.000 0.000 0.320 82 H C 1.305 176.662 175.328 0.049 0.000 1.000 82 H CA 2.447 58.604 56.048 0.182 0.000 1.413 82 H CB 0.819 30.662 29.762 0.134 0.000 1.405 82 H HN 0.598 nan 8.280 nan 0.000 0.586 83 G N 2.967 111.312 108.800 -0.758 0.000 2.900 83 G HA2 -0.361 3.599 3.960 -0.000 0.000 0.223 83 G HA3 -0.361 3.599 3.960 -0.000 0.000 0.223 83 G C 1.500 175.974 174.900 -0.710 0.000 1.293 83 G CA 0.362 45.075 45.100 -0.645 0.000 0.792 83 G HN 1.057 nan 8.290 nan 0.000 0.527 84 G N 0.607 108.617 108.800 -1.315 0.000 2.402 84 G HA2 0.301 4.261 3.960 -0.000 0.000 0.216 84 G HA3 0.301 4.261 3.960 -0.000 0.000 0.216 84 G C 1.256 175.528 174.900 -1.048 0.000 1.162 84 G CA 2.637 46.711 45.100 -1.709 0.000 0.777 84 G HN 1.672 nan 8.290 nan 0.000 0.539 85 T N -1.889 112.110 114.554 -0.925 0.000 2.902 85 T HA 0.421 4.771 4.350 -0.000 0.000 0.287 85 T C 0.873 175.379 174.700 -0.325 0.000 1.048 85 T CA 0.509 62.335 62.100 -0.457 0.000 0.941 85 T CB 1.663 70.371 68.868 -0.267 0.000 1.432 85 T HN 0.151 nan 8.240 nan 0.000 0.586 86 D N -1.206 119.066 120.400 -0.213 0.000 2.479 86 D HA 0.102 4.742 4.640 -0.000 0.000 0.221 86 D C 1.421 177.630 176.300 -0.150 0.000 1.104 86 D CA -0.169 53.728 54.000 -0.171 0.000 0.849 86 D CB -0.193 40.530 40.800 -0.128 0.000 1.072 86 D HN 0.346 nan 8.370 nan 0.000 0.502 87 I N 1.050 121.528 120.570 -0.153 0.000 3.427 87 I HA 0.147 4.317 4.170 -0.000 0.000 0.288 87 I C 0.198 176.299 176.117 -0.027 0.000 1.249 87 I CA 0.183 61.383 61.300 -0.167 0.000 1.421 87 I CB 0.159 37.991 38.000 -0.280 0.000 1.086 87 I HN -0.210 nan 8.210 nan 0.000 0.448 88 S N 1.932 117.656 115.700 0.041 0.000 2.572 88 S HA 0.352 4.822 4.470 -0.000 0.000 0.279 88 S C 0.344 175.075 174.600 0.219 0.000 1.341 88 S CA -0.318 57.999 58.200 0.195 0.000 1.043 88 S CB 0.336 63.693 63.200 0.262 0.000 0.887 88 S HN 0.277 nan 8.310 nan 0.000 0.516 89 I N -0.011 120.703 120.570 0.241 0.000 3.205 89 I HA 0.617 4.787 4.170 -0.000 0.000 0.310 89 I C 0.092 176.320 176.117 0.184 0.000 1.089 89 I CA -1.360 60.056 61.300 0.193 0.000 1.023 89 I CB 0.849 38.918 38.000 0.115 0.000 1.269 89 I HN 0.335 nan 8.210 nan 0.000 0.512 90 R N 1.471 121.998 120.500 0.045 0.000 2.459 90 R HA 0.309 4.649 4.340 -0.000 0.000 0.281 90 R C -1.659 174.655 176.300 0.023 0.000 1.050 90 R CA -1.461 54.613 56.100 -0.042 0.000 1.055 90 R CB 0.861 31.035 30.300 -0.209 0.000 1.045 90 R HN 0.502 nan 8.270 nan 0.000 0.495 91 P HA -0.176 nan 4.420 nan 0.000 0.219 91 P C 0.951 178.262 177.300 0.018 0.000 1.146 91 P CA 1.348 64.466 63.100 0.031 0.000 0.808 91 P CB 0.151 31.854 31.700 0.005 0.000 0.779 92 S N -0.259 115.440 115.700 -0.002 0.000 2.474 92 S HA -0.094 4.376 4.470 -0.000 0.000 0.235 92 S C 1.665 176.280 174.600 0.025 0.000 0.997 92 S CA 0.690 58.893 58.200 0.005 0.000 0.949 92 S CB -0.978 62.215 63.200 -0.012 0.000 0.766 92 S HN 0.260 nan 8.310 nan 0.000 0.517 93 E N 0.152 120.369 120.200 0.027 0.000 2.502 93 E HA 0.077 4.427 4.350 -0.000 0.000 0.194 93 E C 1.130 177.758 176.600 0.047 0.000 1.062 93 E CA 0.670 57.098 56.400 0.047 0.000 0.867 93 E CB 0.118 29.838 29.700 0.033 0.000 0.888 93 E HN 0.908 nan 8.360 nan 0.000 0.510 94 C N -3.774 115.554 119.300 0.048 0.000 3.981 94 C HA 0.485 4.945 4.460 -0.000 0.000 0.306 94 C C 1.217 176.243 174.990 0.061 0.000 2.005 94 C CA -0.393 58.656 59.018 0.052 0.000 1.655 94 C CB -0.390 27.376 27.740 0.043 0.000 3.164 94 C HN 0.244 nan 8.230 nan 0.000 0.554 95 G N 1.337 110.167 108.800 0.050 0.000 3.329 95 G HA2 0.496 4.456 3.960 -0.000 0.000 0.180 95 G HA3 0.496 4.456 3.960 -0.000 0.000 0.180 95 G C 1.487 176.409 174.900 0.037 0.000 1.640 95 G CA 0.503 45.629 45.100 0.043 0.000 1.018 95 G HN 0.732 nan 8.290 nan 0.000 0.581 96 A N 0.093 122.926 122.820 0.022 0.000 1.903 96 A HA -0.153 4.167 4.320 -0.000 0.000 0.219 96 A C 2.051 179.642 177.584 0.012 0.000 1.191 96 A CA 2.422 54.468 52.037 0.014 0.000 0.638 96 A CB -0.856 18.152 19.000 0.014 0.000 0.823 96 A HN 0.646 nan 8.150 nan 0.000 0.451 97 E N -1.015 119.196 120.200 0.019 0.000 2.331 97 E HA -0.169 4.181 4.350 -0.000 0.000 0.199 97 E C 1.520 178.139 176.600 0.031 0.000 1.008 97 E CA 0.807 57.218 56.400 0.019 0.000 0.843 97 E CB -0.061 29.657 29.700 0.030 0.000 0.761 97 E HN 0.435 nan 8.360 nan 0.000 0.507 98 R N -0.730 119.799 120.500 0.049 0.000 2.397 98 R HA 0.137 4.477 4.340 -0.000 0.000 0.241 98 R C 0.974 177.308 176.300 0.058 0.000 0.914 98 R CA 0.628 56.779 56.100 0.085 0.000 1.071 98 R CB 0.948 31.320 30.300 0.121 0.000 1.116 98 R HN 0.211 nan 8.270 nan 0.000 0.524 99 G N 1.153 109.936 108.800 -0.029 0.000 2.171 99 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.238 99 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.238 99 G C -0.261 174.549 174.900 -0.152 0.000 1.039 99 G CA 0.088 45.068 45.100 -0.200 0.000 0.759 99 G HN 0.113 nan 8.290 nan 0.000 0.501 100 V N 0.188 120.113 119.914 0.017 0.000 2.444 100 V HA 0.570 4.690 4.120 -0.000 0.000 0.294 100 V C 1.075 177.196 176.094 0.045 0.000 1.022 100 V CA 0.326 62.683 62.300 0.096 0.000 0.850 100 V CB 1.525 33.432 31.823 0.140 0.000 0.992 100 V HN 0.259 nan 8.190 nan 0.000 0.426 101 T N 2.074 116.650 114.554 0.037 0.000 3.044 101 T HA 0.044 4.394 4.350 -0.000 0.000 0.255 101 T C 0.743 175.454 174.700 0.018 0.000 1.073 101 T CA 0.855 62.963 62.100 0.014 0.000 1.125 101 T CB 0.236 69.098 68.868 -0.010 0.000 0.908 101 T HN 0.645 nan 8.240 nan 0.000 0.480 102 T N 2.705 117.279 114.554 0.034 0.000 2.791 102 T HA 0.609 4.959 4.350 -0.000 0.000 0.288 102 T C -0.764 173.960 174.700 0.040 0.000 0.999 102 T CA -0.430 61.687 62.100 0.028 0.000 0.952 102 T CB 1.135 70.014 68.868 0.018 0.000 0.938 102 T HN 0.088 nan 8.240 nan 0.000 0.444 103 L N 3.472 124.721 121.223 0.043 0.000 2.313 103 L HA 0.642 4.982 4.340 -0.000 0.000 0.283 103 L C -0.513 176.398 176.870 0.069 0.000 1.013 103 L CA -1.122 53.754 54.840 0.061 0.000 0.816 103 L CB 1.751 43.852 42.059 0.070 0.000 1.236 103 L HN 0.348 nan 8.230 nan 0.000 0.419 104 V N 1.619 121.574 119.914 0.069 0.000 2.313 104 V HA 0.137 4.257 4.120 -0.000 0.000 0.278 104 V C -0.229 175.913 176.094 0.079 0.000 1.017 104 V CA -0.685 61.646 62.300 0.052 0.000 0.823 104 V CB 1.433 33.270 31.823 0.024 0.000 1.010 104 V HN 0.687 nan 8.190 nan 0.000 0.443 105 D N 4.307 124.760 120.400 0.088 0.000 2.401 105 D HA 0.344 4.984 4.640 -0.000 0.000 0.254 105 D C 0.718 177.013 176.300 -0.009 0.000 1.192 105 D CA 0.014 54.023 54.000 0.015 0.000 0.885 105 D CB 1.265 42.011 40.800 -0.088 0.000 1.147 105 D HN 0.751 nan 8.370 nan 0.000 0.478 106 A N 3.885 126.604 122.820 -0.169 0.000 3.118 106 A HA 0.515 4.835 4.320 -0.000 0.000 0.256 106 A C 1.218 178.733 177.584 -0.115 0.000 1.667 106 A CA 0.011 51.914 52.037 -0.223 0.000 1.338 106 A CB -0.929 17.574 19.000 -0.827 0.000 1.127 106 A HN 1.002 nan 8.150 nan 0.000 0.634 107 G N -0.261 108.553 108.800 0.024 0.000 2.182 107 G HA2 -0.223 3.736 3.960 -0.000 0.000 0.248 107 G HA3 -0.223 3.736 3.960 -0.000 0.000 0.248 107 G C 0.766 175.735 174.900 0.115 0.000 1.042 107 G CA 0.420 45.553 45.100 0.056 0.000 0.775 107 G HN 0.658 nan 8.290 nan 0.000 0.501 108 S N -0.783 114.999 115.700 0.137 0.000 2.527 108 S HA 0.545 5.015 4.470 -0.000 0.000 0.222 108 S C 1.205 175.959 174.600 0.257 0.000 0.985 108 S CA 1.083 59.427 58.200 0.240 0.000 0.921 108 S CB 0.344 63.754 63.200 0.350 0.000 0.772 108 S HN 1.716 nan 8.310 nan 0.000 0.529 109 A N 0.394 123.301 122.820 0.146 0.000 2.435 109 A HA 0.813 5.133 4.320 -0.000 0.000 0.304 109 A C 0.095 177.794 177.584 0.192 0.000 1.064 109 A CA -0.446 51.722 52.037 0.218 0.000 0.727 109 A CB 1.353 20.381 19.000 0.047 0.000 1.284 109 A HN 0.301 nan 8.150 nan 0.000 0.415 110 G N -0.501 108.429 108.800 0.216 0.000 3.016 110 G HA2 0.519 4.479 3.960 -0.000 0.000 0.270 110 G HA3 0.519 4.479 3.960 -0.000 0.000 0.270 110 G C 0.364 175.389 174.900 0.208 0.000 1.352 110 G CA 0.220 45.419 45.100 0.165 0.000 1.060 110 G HN 0.834 nan 8.290 nan 0.000 0.538 111 E N -0.437 119.851 120.200 0.147 0.000 2.153 111 E HA -0.055 4.295 4.350 -0.000 0.000 0.194 111 E C 2.322 179.042 176.600 0.200 0.000 0.988 111 E CA 1.834 58.325 56.400 0.152 0.000 0.811 111 E CB -0.666 29.085 29.700 0.085 0.000 0.746 111 E HN 0.478 nan 8.360 nan 0.000 0.466 112 A N 1.859 124.789 122.820 0.183 0.000 1.903 112 A HA -0.284 4.036 4.320 -0.000 0.000 0.219 112 A C 1.630 179.400 177.584 0.311 0.000 1.191 112 A CA 2.273 54.428 52.037 0.196 0.000 0.638 112 A CB -0.822 18.274 19.000 0.160 0.000 0.823 112 A HN 0.560 nan 8.150 nan 0.000 0.451 113 N N -2.707 116.214 118.700 0.368 0.000 2.536 113 N HA 0.166 4.906 4.740 -0.000 0.000 0.286 113 N C 0.142 175.859 175.510 0.345 0.000 1.577 113 N CA -0.280 53.030 53.050 0.434 0.000 0.883 113 N CB -0.719 38.021 38.487 0.420 0.000 1.390 113 N HN 0.223 nan 8.380 nan 0.000 0.491 114 F N 2.182 122.279 119.950 0.245 0.000 2.234 114 F HA -0.115 4.412 4.527 -0.000 0.000 0.299 114 F C 2.411 178.240 175.800 0.049 0.000 1.087 114 F CA 1.522 59.569 58.000 0.079 0.000 1.340 114 F CB 0.056 39.095 39.000 0.066 0.000 1.031 114 F HN 0.315 nan 8.300 nan 0.000 0.500 115 H N -1.379 117.725 119.070 0.056 0.000 2.421 115 H HA 0.009 4.565 4.556 -0.000 0.000 0.298 115 H C 2.313 177.487 175.328 -0.257 0.000 1.087 115 H CA 1.269 57.282 56.048 -0.059 0.000 1.330 115 H CB -1.561 28.207 29.762 0.011 0.000 1.388 115 H HN 0.325 nan 8.280 nan 0.000 0.526 116 G N 0.744 109.082 108.800 -0.770 0.000 2.433 116 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.216 116 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.216 116 G C 1.670 176.074 174.900 -0.826 0.000 1.186 116 G CA 0.727 45.468 45.100 -0.599 0.000 0.779 116 G HN 0.427 nan 8.290 nan 0.000 0.543 117 F N 1.622 120.708 119.950 -1.439 0.000 2.091 117 F HA -0.111 4.416 4.527 -0.000 0.000 0.299 117 F C 2.699 177.873 175.800 -1.044 0.000 1.103 117 F CA 2.155 59.127 58.000 -1.713 0.000 1.228 117 F CB -0.183 37.732 39.000 -1.807 0.000 0.984 117 F HN 0.087 nan 8.300 nan 0.000 0.477 118 R N 0.409 120.371 120.500 -0.896 0.000 2.070 118 R HA -0.238 4.102 4.340 -0.000 0.000 0.233 118 R C 2.391 178.346 176.300 -0.576 0.000 1.137 118 R CA 2.074 57.748 56.100 -0.710 0.000 0.945 118 R CB -0.675 29.368 30.300 -0.427 0.000 0.845 118 R HN 0.525 nan 8.270 nan 0.000 0.430 119 E N -0.973 118.907 120.200 -0.534 0.000 2.106 119 E HA -0.201 4.149 4.350 -0.000 0.000 0.192 119 E C 1.382 177.738 176.600 -0.407 0.000 0.984 119 E CA 1.204 57.318 56.400 -0.478 0.000 0.806 119 E CB -0.001 29.346 29.700 -0.587 0.000 0.750 119 E HN 0.424 nan 8.360 nan 0.000 0.458 120 Y N -0.422 119.690 120.300 -0.312 0.000 2.343 120 Y HA 0.045 4.595 4.550 -0.000 0.000 0.294 120 Y C 2.047 177.775 175.900 -0.286 0.000 1.122 120 Y CA 0.219 58.193 58.100 -0.211 0.000 1.173 120 Y CB 0.134 38.557 38.460 -0.061 0.000 1.077 120 Y HN 0.116 nan 8.280 nan 0.000 0.542 121 I N -0.779 119.553 120.570 -0.398 0.000 2.685 121 I HA -0.065 4.105 4.170 -0.000 0.000 0.251 121 I C 2.175 177.969 176.117 -0.537 0.000 1.102 121 I CA 0.787 61.765 61.300 -0.536 0.000 1.442 121 I CB -1.145 36.229 38.000 -1.043 0.000 1.194 121 I HN 0.111 nan 8.210 nan 0.000 0.448 122 I N 1.208 121.351 120.570 -0.712 0.000 2.133 122 I HA -0.249 3.921 4.170 -0.000 0.000 0.238 122 I C 2.512 178.450 176.117 -0.297 0.000 1.074 122 I CA 1.422 62.426 61.300 -0.492 0.000 1.342 122 I CB -0.403 37.242 38.000 -0.591 0.000 1.053 122 I HN 0.241 nan 8.210 nan 0.000 0.404 123 E N 0.807 120.836 120.200 -0.285 0.000 2.051 123 E HA -0.201 4.149 4.350 -0.000 0.000 0.192 123 E C -0.287 176.246 176.600 -0.111 0.000 0.991 123 E CA 1.339 57.639 56.400 -0.166 0.000 0.799 123 E CB -1.131 28.477 29.700 -0.155 0.000 0.748 123 E HN 0.509 nan 8.360 nan 0.000 0.449 124 P HA -0.000 nan 4.420 nan 0.000 0.218 124 P C 0.159 177.422 177.300 -0.062 0.000 1.152 124 P CA 0.563 63.624 63.100 -0.066 0.000 0.826 124 P CB 0.195 31.869 31.700 -0.044 0.000 0.790 125 S N 0.243 115.892 115.700 -0.086 0.000 2.559 125 S HA -0.037 4.433 4.470 -0.000 0.000 0.282 125 S C 1.520 176.091 174.600 -0.048 0.000 1.336 125 S CA 0.039 58.198 58.200 -0.067 0.000 1.037 125 S CB 0.289 63.436 63.200 -0.088 0.000 0.853 125 S HN 0.271 nan 8.310 nan 0.000 0.523 126 R N 0.601 121.082 120.500 -0.030 0.000 2.237 126 R HA 0.218 4.558 4.340 -0.000 0.000 0.195 126 R C -0.166 176.124 176.300 -0.018 0.000 0.956 126 R CA 0.096 56.184 56.100 -0.020 0.000 1.029 126 R CB -0.033 30.260 30.300 -0.010 0.000 0.972 126 R HN 0.437 nan 8.270 nan 0.000 0.493 127 E N 1.714 121.903 120.200 -0.017 0.000 2.376 127 E HA 0.142 4.492 4.350 -0.000 0.000 0.254 127 E C -0.606 175.985 176.600 -0.014 0.000 1.213 127 E CA -0.471 55.922 56.400 -0.010 0.000 0.945 127 E CB 0.639 30.339 29.700 -0.000 0.000 1.057 127 E HN 0.025 nan 8.360 nan 0.000 0.479 128 R N 1.162 121.659 120.500 -0.005 0.000 2.202 128 R HA 0.296 4.636 4.340 -0.000 0.000 0.334 128 R C -1.098 175.208 176.300 0.011 0.000 1.036 128 R CA -0.453 55.648 56.100 0.002 0.000 0.878 128 R CB 0.098 30.399 30.300 0.003 0.000 1.067 128 R HN 0.343 nan 8.270 nan 0.000 0.457 129 I N 5.165 125.740 120.570 0.009 0.000 2.362 129 I HA 0.304 4.474 4.170 -0.000 0.000 0.289 129 I C -0.271 175.898 176.117 0.087 0.000 0.994 129 I CA -0.339 60.981 61.300 0.032 0.000 1.158 129 I CB 1.469 39.450 38.000 -0.031 0.000 1.315 129 I HN 0.367 nan 8.210 nan 0.000 0.451 130 K N 4.206 124.661 120.400 0.093 0.000 2.313 130 K HA 0.986 5.306 4.320 -0.000 0.000 0.235 130 K C -0.976 175.681 176.600 0.094 0.000 1.035 130 K CA -1.035 55.303 56.287 0.085 0.000 0.868 130 K CB 2.212 34.691 32.500 -0.034 0.000 1.232 130 K HN 0.553 nan 8.250 nan 0.000 0.459 131 A N 0.590 123.425 122.820 0.024 0.000 2.594 131 A HA 0.695 5.014 4.320 -0.000 0.000 0.295 131 A C -1.716 175.765 177.584 -0.172 0.000 1.071 131 A CA -0.693 51.335 52.037 -0.016 0.000 0.685 131 A CB 0.705 19.789 19.000 0.140 0.000 1.285 131 A HN 0.416 nan 8.150 nan 0.000 0.405 132 F N 1.358 121.284 119.950 -0.040 0.000 2.410 132 F HA 0.433 4.960 4.527 -0.000 0.000 0.349 132 F C 0.470 176.234 175.800 -0.061 0.000 1.117 132 F CA -0.439 57.523 58.000 -0.064 0.000 1.104 132 F CB 1.505 40.438 39.000 -0.112 0.000 1.122 132 F HN 0.456 nan 8.300 nan 0.000 0.483 133 L N 4.531 125.813 121.223 0.098 0.000 2.331 133 L HA 0.206 4.546 4.340 -0.000 0.000 0.278 133 L C 0.178 177.084 176.870 0.060 0.000 1.106 133 L CA -0.286 54.576 54.840 0.037 0.000 0.824 133 L CB 0.637 42.664 42.059 -0.053 0.000 1.142 133 L HN 0.600 nan 8.230 nan 0.000 0.443 134 N N 3.583 122.320 118.700 0.062 0.000 2.530 134 N HA 0.003 4.743 4.740 -0.000 0.000 0.273 134 N C 0.864 176.394 175.510 0.034 0.000 1.173 134 N CA -0.011 53.063 53.050 0.041 0.000 0.967 134 N CB 1.352 39.871 38.487 0.052 0.000 1.109 134 N HN 0.731 nan 8.380 nan 0.000 0.453 135 L N 1.934 123.167 121.223 0.017 0.000 2.191 135 L HA 0.022 4.362 4.340 -0.000 0.000 0.212 135 L C 1.026 177.923 176.870 0.046 0.000 1.103 135 L CA 0.654 55.507 54.840 0.020 0.000 0.769 135 L CB -0.378 41.684 42.059 0.007 0.000 0.908 135 L HN 0.545 nan 8.230 nan 0.000 0.438 136 G N -1.525 107.306 108.800 0.051 0.000 2.339 136 G HA2 0.217 4.177 3.960 -0.000 0.000 0.287 136 G HA3 0.217 4.177 3.960 -0.000 0.000 0.287 136 G C 0.775 175.715 174.900 0.068 0.000 1.163 136 G CA -0.166 44.972 45.100 0.063 0.000 0.872 136 G HN 0.142 nan 8.290 nan 0.000 0.464 137 S N 1.823 117.564 115.700 0.068 0.000 2.372 137 S HA -0.234 4.235 4.470 -0.000 0.000 0.227 137 S C 2.286 176.943 174.600 0.095 0.000 1.044 137 S CA 1.728 59.975 58.200 0.080 0.000 1.050 137 S CB -0.311 62.929 63.200 0.067 0.000 0.901 137 S HN 0.782 nan 8.310 nan 0.000 0.447 138 I N -0.772 119.842 120.570 0.075 0.000 3.428 138 I HA 0.289 4.459 4.170 -0.000 0.000 0.286 138 I C 1.296 177.459 176.117 0.076 0.000 1.287 138 I CA 0.384 61.728 61.300 0.073 0.000 1.396 138 I CB -1.170 36.854 38.000 0.040 0.000 1.062 138 I HN 0.327 nan 8.210 nan 0.000 0.471 139 G N 2.986 111.833 108.800 0.078 0.000 2.594 139 G HA2 -0.325 3.634 3.960 -0.000 0.000 0.297 139 G HA3 -0.325 3.634 3.960 -0.000 0.000 0.297 139 G C 0.226 175.145 174.900 0.033 0.000 1.273 139 G CA 0.483 45.628 45.100 0.076 0.000 0.974 139 G HN 0.421 nan 8.290 nan 0.000 0.552 140 L N 1.933 123.172 121.223 0.027 0.000 2.851 140 L HA 0.176 4.516 4.340 -0.000 0.000 0.237 140 L C 2.404 179.227 176.870 -0.078 0.000 1.257 140 L CA 0.133 54.949 54.840 -0.040 0.000 1.061 140 L CB -0.203 41.813 42.059 -0.071 0.000 1.372 140 L HN 0.483 nan 8.230 nan 0.000 0.493 141 V N -0.721 119.149 119.914 -0.073 0.000 2.317 141 V HA -0.248 3.872 4.120 -0.000 0.000 0.251 141 V C 1.523 177.550 176.094 -0.112 0.000 1.065 141 V CA 1.845 64.072 62.300 -0.122 0.000 1.049 141 V CB -0.844 30.925 31.823 -0.091 0.000 0.651 141 V HN 0.559 nan 8.190 nan 0.000 0.450 142 A N -1.336 121.437 122.820 -0.078 0.000 3.253 142 A HA 0.416 4.736 4.320 -0.000 0.000 0.290 142 A C 0.233 177.782 177.584 -0.059 0.000 0.950 142 A CA -0.252 51.747 52.037 -0.063 0.000 0.986 142 A CB -0.395 18.578 19.000 -0.043 0.000 1.104 142 A HN 0.482 nan 8.150 nan 0.000 0.481 143 C N 2.262 121.509 119.300 -0.088 0.000 1.912 143 C HA -0.045 4.415 4.460 -0.000 0.000 0.414 143 C C 1.442 176.392 174.990 -0.067 0.000 1.545 143 C CA 1.739 60.694 59.018 -0.106 0.000 1.468 143 C CB -1.824 25.802 27.740 -0.190 0.000 2.697 143 C HN 0.904 nan 8.230 nan 0.000 0.597 144 N N 2.666 121.336 118.700 -0.050 0.000 2.951 144 N HA -0.193 4.547 4.740 -0.000 0.000 0.218 144 N C 0.959 176.469 175.510 0.000 0.000 0.858 144 N CA 2.226 55.265 53.050 -0.018 0.000 1.050 144 N CB -0.790 37.690 38.487 -0.011 0.000 1.012 144 N HN 0.840 nan 8.380 nan 0.000 0.611 145 R N 0.270 120.766 120.500 -0.006 0.000 2.189 145 R HA 0.243 4.583 4.340 -0.000 0.000 0.203 145 R C 0.325 176.624 176.300 -0.002 0.000 1.012 145 R CA 0.793 56.894 56.100 0.001 0.000 1.015 145 R CB 0.775 31.075 30.300 0.001 0.000 0.938 145 R HN -0.034 nan 8.270 nan 0.000 0.472 146 V N 2.816 122.725 119.914 -0.009 0.000 2.467 146 V HA 0.221 4.341 4.120 -0.000 0.000 0.260 146 V C -2.472 173.619 176.094 -0.006 0.000 0.963 146 V CA -1.803 60.492 62.300 -0.008 0.000 0.856 146 V CB 1.262 33.077 31.823 -0.013 0.000 1.087 146 V HN 0.001 nan 8.190 nan 0.000 0.467 147 P HA -0.081 nan 4.420 nan 0.000 0.263 147 P C 0.966 178.275 177.300 0.015 0.000 1.162 147 P CA 0.492 63.599 63.100 0.012 0.000 0.758 147 P CB 0.617 32.335 31.700 0.030 0.000 0.773 148 E N 3.092 123.303 120.200 0.019 0.000 2.489 148 E HA -0.023 4.327 4.350 -0.000 0.000 0.193 148 E C 0.008 176.643 176.600 0.058 0.000 1.057 148 E CA 0.651 57.069 56.400 0.031 0.000 0.866 148 E CB -0.036 29.680 29.700 0.027 0.000 0.916 148 E HN 0.245 nan 8.360 nan 0.000 0.500 149 L N 1.579 122.853 121.223 0.084 0.000 2.551 149 L HA 0.336 4.675 4.340 -0.000 0.000 0.248 149 L C 0.922 177.912 176.870 0.201 0.000 1.509 149 L CA -0.092 54.852 54.840 0.173 0.000 0.842 149 L CB 0.904 43.085 42.059 0.202 0.000 1.087 149 L HN -0.116 nan 8.230 nan 0.000 0.512 150 R N -0.218 120.301 120.500 0.032 0.000 2.128 150 R HA 0.215 4.555 4.340 -0.000 0.000 0.211 150 R C -0.354 175.655 176.300 -0.485 0.000 1.067 150 R CA 0.957 56.985 56.100 -0.119 0.000 1.010 150 R CB 0.442 30.682 30.300 -0.101 0.000 0.922 150 R HN 0.610 nan 8.270 nan 0.000 0.457 151 D N -1.493 118.620 120.400 -0.478 0.000 2.752 151 D HA 0.092 4.732 4.640 -0.000 0.000 0.313 151 D C 0.467 176.488 176.300 -0.465 0.000 1.225 151 D CA -0.759 52.760 54.000 -0.801 0.000 0.976 151 D CB 0.353 40.870 40.800 -0.472 0.000 1.443 151 D HN -0.112 nan 8.370 nan 0.000 0.515 152 I N -1.892 118.458 120.570 -0.366 0.000 2.830 152 I HA 0.020 4.190 4.170 -0.000 0.000 0.263 152 I C 1.619 177.733 176.117 -0.006 0.000 1.230 152 I CA 0.629 61.925 61.300 -0.006 0.000 1.480 152 I CB -0.779 37.271 38.000 0.084 0.000 1.095 152 I HN 0.263 nan 8.210 nan 0.000 0.455 153 K N 1.040 121.401 120.400 -0.065 0.000 2.442 153 K HA -0.133 4.187 4.320 -0.000 0.000 0.198 153 K C 0.966 177.563 176.600 -0.005 0.000 1.044 153 K CA 1.147 57.415 56.287 -0.032 0.000 0.948 153 K CB -0.250 32.221 32.500 -0.050 0.000 0.762 153 K HN 0.469 nan 8.250 nan 0.000 0.472 154 D N 0.618 121.021 120.400 0.004 0.000 2.183 154 D HA 0.034 4.673 4.640 -0.000 0.000 0.205 154 D C 0.752 177.089 176.300 0.062 0.000 0.962 154 D CA 0.599 54.620 54.000 0.035 0.000 0.849 154 D CB 0.251 41.078 40.800 0.046 0.000 0.978 154 D HN 0.116 nan 8.370 nan 0.000 0.488 155 I N 1.688 122.310 120.570 0.087 0.000 2.352 155 I HA 0.063 4.233 4.170 -0.000 0.000 0.290 155 I C 0.025 176.179 176.117 0.061 0.000 1.036 155 I CA -0.157 61.194 61.300 0.085 0.000 1.336 155 I CB 0.878 38.949 38.000 0.118 0.000 1.407 155 I HN -0.251 nan 8.210 nan 0.000 0.497 156 D N 6.930 127.359 120.400 0.048 0.000 2.408 156 D HA 0.100 4.740 4.640 -0.000 0.000 0.261 156 D C 0.560 176.878 176.300 0.029 0.000 1.190 156 D CA -0.576 53.446 54.000 0.037 0.000 0.910 156 D CB 1.325 42.146 40.800 0.034 0.000 1.097 156 D HN 0.342 nan 8.370 nan 0.000 0.522 157 L N 3.957 125.195 121.223 0.025 0.000 1.997 157 L HA -0.178 4.162 4.340 -0.000 0.000 0.216 157 L C 1.207 178.084 176.870 0.012 0.000 1.074 157 L CA 2.167 57.016 54.840 0.014 0.000 0.763 157 L CB -0.538 41.528 42.059 0.010 0.000 0.890 157 L HN 0.292 nan 8.230 nan 0.000 0.434 158 D N -1.047 119.361 120.400 0.013 0.000 2.149 158 D HA -0.158 4.482 4.640 -0.000 0.000 0.198 158 D C 2.287 178.597 176.300 0.015 0.000 0.990 158 D CA 1.177 55.184 54.000 0.012 0.000 0.839 158 D CB -0.034 40.773 40.800 0.011 0.000 0.948 158 D HN 0.371 nan 8.370 nan 0.000 0.460 159 R N -0.042 120.469 120.500 0.020 0.000 2.093 159 R HA 0.080 4.420 4.340 -0.000 0.000 0.224 159 R C 2.458 178.773 176.300 0.026 0.000 1.101 159 R CA 0.410 56.524 56.100 0.023 0.000 0.979 159 R CB -0.310 30.008 30.300 0.030 0.000 0.877 159 R HN 0.292 nan 8.270 nan 0.000 0.441 160 I N 1.406 121.991 120.570 0.025 0.000 2.127 160 I HA -0.316 3.854 4.170 -0.000 0.000 0.241 160 I C 2.413 178.549 176.117 0.032 0.000 1.075 160 I CA 1.510 62.823 61.300 0.021 0.000 1.334 160 I CB -0.399 37.607 38.000 0.009 0.000 1.040 160 I HN 0.100 nan 8.210 nan 0.000 0.405 161 L N 0.256 121.494 121.223 0.025 0.000 2.012 161 L HA -0.243 4.097 4.340 -0.000 0.000 0.210 161 L C 2.628 179.538 176.870 0.066 0.000 1.073 161 L CA 1.610 56.476 54.840 0.043 0.000 0.748 161 L CB -0.720 41.350 42.059 0.019 0.000 0.891 161 L HN 0.340 nan 8.230 nan 0.000 0.431 162 E N -0.456 119.766 120.200 0.035 0.000 2.153 162 E HA -0.274 4.076 4.350 -0.000 0.000 0.194 162 E C 2.357 178.964 176.600 0.012 0.000 0.988 162 E CA 1.492 57.905 56.400 0.021 0.000 0.811 162 E CB -0.021 29.685 29.700 0.011 0.000 0.746 162 E HN 0.557 nan 8.360 nan 0.000 0.466 163 C N -0.059 119.250 119.300 0.015 0.000 2.466 163 C HA -0.091 4.369 4.460 -0.000 0.000 0.278 163 C C 2.526 177.475 174.990 -0.067 0.000 1.288 163 C CA 0.773 59.781 59.018 -0.017 0.000 1.722 163 C CB -1.263 26.467 27.740 -0.017 0.000 2.017 163 C HN 0.665 nan 8.230 nan 0.000 0.488 164 Y N 1.966 122.190 120.300 -0.127 0.000 2.274 164 Y HA -0.004 4.546 4.550 -0.000 0.000 0.290 164 Y C 2.346 178.184 175.900 -0.102 0.000 1.145 164 Y CA 1.671 59.685 58.100 -0.144 0.000 1.203 164 Y CB -0.530 37.860 38.460 -0.117 0.000 0.984 164 Y HN 0.348 nan 8.280 nan 0.000 0.533 165 A N 0.283 123.064 122.820 -0.064 0.000 1.908 165 A HA -0.213 4.107 4.320 -0.000 0.000 0.218 165 A C 1.973 179.452 177.584 -0.175 0.000 1.181 165 A CA 2.030 54.005 52.037 -0.103 0.000 0.627 165 A CB -0.593 18.398 19.000 -0.016 0.000 0.818 165 A HN 0.636 nan 8.150 nan 0.000 0.445 166 E N -0.983 119.137 120.200 -0.134 0.000 2.489 166 E HA 0.007 4.357 4.350 -0.000 0.000 0.193 166 E C -0.268 176.264 176.600 -0.113 0.000 1.057 166 E CA 0.402 56.745 56.400 -0.095 0.000 0.866 166 E CB 0.045 29.727 29.700 -0.030 0.000 0.916 166 E HN 0.706 nan 8.360 nan 0.000 0.500 167 N N -0.982 117.580 118.700 -0.229 0.000 2.390 167 N HA -0.021 4.718 4.740 -0.000 0.000 0.259 167 N C 0.668 175.922 175.510 -0.427 0.000 1.395 167 N CA 0.039 52.976 53.050 -0.189 0.000 0.852 167 N CB 1.079 39.538 38.487 -0.046 0.000 1.371 167 N HN -0.046 nan 8.380 nan 0.000 0.491 168 S N 0.556 115.859 115.700 -0.662 0.000 2.400 168 S HA -0.275 4.195 4.470 -0.000 0.000 0.232 168 S C 1.623 175.981 174.600 -0.405 0.000 1.025 168 S CA 1.231 58.908 58.200 -0.871 0.000 0.993 168 S CB -0.337 62.381 63.200 -0.804 0.000 0.808 168 S HN 0.561 nan 8.310 nan 0.000 0.478 169 E N 1.022 120.990 120.200 -0.385 0.000 2.106 169 E HA -0.191 4.159 4.350 -0.000 0.000 0.192 169 E C 1.770 178.195 176.600 -0.292 0.000 0.984 169 E CA 1.354 57.540 56.400 -0.356 0.000 0.806 169 E CB -0.505 28.904 29.700 -0.486 0.000 0.750 169 E HN 0.657 nan 8.360 nan 0.000 0.458 170 H N 0.498 119.534 119.070 -0.056 0.000 2.451 170 H HA 0.266 4.821 4.556 -0.000 0.000 0.294 170 H C 0.952 176.286 175.328 0.010 0.000 1.028 170 H CA 0.199 56.273 56.048 0.042 0.000 1.349 170 H CB 0.412 30.305 29.762 0.218 0.000 1.444 170 H HN 0.099 nan 8.280 nan 0.000 0.538 171 I N 2.578 123.144 120.570 -0.007 0.000 2.395 171 I HA -0.024 4.146 4.170 -0.000 0.000 0.289 171 I C 1.354 177.462 176.117 -0.015 0.000 1.023 171 I CA -0.213 61.047 61.300 -0.066 0.000 1.350 171 I CB 1.838 39.752 38.000 -0.143 0.000 1.409 171 I HN -0.058 nan 8.210 nan 0.000 0.507 172 V N 2.214 122.043 119.914 -0.143 0.000 3.528 172 V HA 0.662 4.782 4.120 -0.000 0.000 0.294 172 V C 0.524 176.523 176.094 -0.158 0.000 1.404 172 V CA 0.299 62.488 62.300 -0.185 0.000 1.065 172 V CB -0.100 31.504 31.823 -0.365 0.000 0.904 172 V HN 0.918 nan 8.190 nan 0.000 0.435 173 G N -0.245 108.509 108.800 -0.077 0.000 2.316 173 G HA2 0.458 4.418 3.960 -0.000 0.000 0.296 173 G HA3 0.458 4.418 3.960 -0.000 0.000 0.296 173 G C -1.536 173.495 174.900 0.219 0.000 1.399 173 G CA -0.744 44.433 45.100 0.128 0.000 0.833 173 G HN 0.216 nan 8.290 nan 0.000 0.565 177 R N 3.475 123.888 120.500 -0.145 0.000 2.082 177 R HA 0.301 4.641 4.340 -0.000 0.000 0.228 177 R C 1.112 177.425 176.300 0.021 0.000 1.140 177 R CA 1.273 57.210 56.100 -0.271 0.000 0.920 177 R CB -0.082 29.909 30.300 -0.515 0.000 0.828 177 R HN 1.652 nan 8.270 nan 0.000 0.430 178 A N 0.637 123.462 122.820 0.008 0.000 2.620 178 A HA -0.134 4.186 4.320 -0.000 0.000 0.289 178 A C -0.309 177.339 177.584 0.107 0.000 1.424 178 A CA 0.528 52.594 52.037 0.048 0.000 0.727 178 A CB -1.501 17.500 19.000 0.002 0.000 1.116 178 A HN 0.264 nan 8.150 nan 0.000 0.404 179 S N -0.500 115.267 115.700 0.112 0.000 2.564 179 S HA 0.629 5.099 4.470 -0.000 0.000 0.274 179 S C 1.101 175.741 174.600 0.067 0.000 1.124 179 S CA -0.035 58.204 58.200 0.066 0.000 0.869 179 S CB 0.846 64.132 63.200 0.143 0.000 1.105 179 S HN 1.091 nan 8.310 nan 0.000 0.472 180 H N 1.012 120.129 119.070 0.079 0.000 2.457 180 H HA -0.052 4.504 4.556 -0.000 0.000 0.297 180 H C 1.831 177.202 175.328 0.071 0.000 1.092 180 H CA 1.918 58.012 56.048 0.077 0.000 1.309 180 H CB -0.313 29.486 29.762 0.062 0.000 1.382 180 H HN 0.382 nan 8.280 nan 0.000 0.535 181 V N 0.021 120.052 119.914 0.195 0.000 2.759 181 V HA -0.118 4.002 4.120 -0.000 0.000 0.256 181 V C 1.999 178.164 176.094 0.117 0.000 1.080 181 V CA 1.280 63.697 62.300 0.195 0.000 1.101 181 V CB -0.559 31.317 31.823 0.089 0.000 0.698 181 V HN 0.425 nan 8.190 nan 0.000 0.477 182 I N 1.292 121.922 120.570 0.099 0.000 3.098 182 I HA -0.000 4.170 4.170 -0.000 0.000 0.241 182 I C 2.599 178.795 176.117 0.131 0.000 1.081 182 I CA 1.254 62.600 61.300 0.076 0.000 1.487 182 I CB -0.844 37.171 38.000 0.024 0.000 1.366 182 I HN 0.347 nan 8.210 nan 0.000 0.463 183 T N -0.654 114.002 114.554 0.170 0.000 3.163 183 T HA 0.267 4.616 4.350 -0.000 0.000 0.260 183 T C 1.365 176.275 174.700 0.349 0.000 1.156 183 T CA 0.431 62.708 62.100 0.294 0.000 1.072 183 T CB -0.514 68.478 68.868 0.208 0.000 0.937 183 T HN 0.646 nan 8.240 nan 0.000 0.528 184 G N 1.989 110.931 108.800 0.237 0.000 2.596 184 G HA2 -0.369 3.591 3.960 -0.000 0.000 0.304 184 G HA3 -0.369 3.591 3.960 -0.000 0.000 0.304 184 G C 0.995 176.022 174.900 0.212 0.000 1.189 184 G CA 1.284 46.501 45.100 0.195 0.000 0.986 184 G HN 1.440 nan 8.290 nan 0.000 0.548 185 S N -0.567 115.250 115.700 0.196 0.000 2.730 185 S HA 0.271 4.741 4.470 -0.000 0.000 0.244 185 S C 0.870 175.619 174.600 0.249 0.000 1.022 185 S CA 0.803 59.106 58.200 0.173 0.000 1.014 185 S CB 0.061 63.314 63.200 0.088 0.000 0.963 185 S HN 1.579 nan 8.310 nan 0.000 0.540 186 W N 2.861 124.175 121.300 0.024 0.000 2.666 186 W HA 0.611 5.271 4.660 -0.000 0.000 0.445 186 W C 0.507 177.039 176.519 0.021 0.000 0.693 186 W CA -1.149 56.206 57.345 0.018 0.000 2.192 186 W CB -1.770 27.697 29.460 0.012 0.000 1.086 186 W HN 0.373 nan 8.180 nan 0.000 0.747 187 G N 1.975 110.814 108.800 0.065 0.000 2.582 187 G HA2 -0.432 3.528 3.960 -0.000 0.000 0.369 187 G HA3 -0.432 3.528 3.960 -0.000 0.000 0.369 187 G C 0.586 175.364 174.900 -0.202 0.000 1.370 187 G CA 1.856 46.925 45.100 -0.052 0.000 0.955 187 G HN 0.820 nan 8.290 nan 0.000 0.525 188 V N 1.267 121.076 119.914 -0.176 0.000 3.636 188 V HA 0.122 4.242 4.120 -0.000 0.000 0.279 188 V C 2.562 178.473 176.094 -0.304 0.000 1.263 188 V CA 2.193 64.371 62.300 -0.204 0.000 1.182 188 V CB -0.877 30.877 31.823 -0.115 0.000 0.955 188 V HN 0.830 nan 8.190 nan 0.000 0.443 189 T N 2.311 116.589 114.554 -0.459 0.000 2.652 189 T HA -0.093 4.257 4.350 -0.000 0.000 0.267 189 T C -0.132 174.219 174.700 -0.583 0.000 1.039 189 T CA 2.071 63.857 62.100 -0.523 0.000 1.153 189 T CB -1.275 67.196 68.868 -0.661 0.000 0.863 189 T HN 0.588 nan 8.240 nan 0.000 0.428 190 P HA 0.025 nan 4.420 nan 0.000 0.222 190 P C 1.434 178.581 177.300 -0.256 0.000 1.147 190 P CA 0.738 63.544 63.100 -0.491 0.000 0.790 190 P CB -0.238 31.208 31.700 -0.423 0.000 0.780 191 V N 0.583 120.346 119.914 -0.251 0.000 2.548 191 V HA -0.123 3.997 4.120 -0.000 0.000 0.249 191 V C 2.613 178.626 176.094 -0.136 0.000 1.055 191 V CA 1.498 63.703 62.300 -0.159 0.000 1.065 191 V CB -0.940 30.800 31.823 -0.137 0.000 0.681 191 V HN 0.068 nan 8.190 nan 0.000 0.462 192 K N -0.117 120.191 120.400 -0.154 0.000 2.097 192 K HA 0.008 4.328 4.320 -0.000 0.000 0.205 192 K C 2.086 178.627 176.600 -0.098 0.000 1.050 192 K CA 0.940 57.158 56.287 -0.115 0.000 0.938 192 K CB -0.321 32.110 32.500 -0.116 0.000 0.718 192 K HN 0.288 nan 8.250 nan 0.000 0.442 193 L N 0.107 121.263 121.223 -0.112 0.000 2.072 193 L HA -0.062 4.278 4.340 -0.000 0.000 0.205 193 L C 2.403 179.235 176.870 -0.063 0.000 1.079 193 L CA 1.712 56.509 54.840 -0.072 0.000 0.752 193 L CB -1.589 40.436 42.059 -0.055 0.000 0.906 193 L HN 0.225 nan 8.230 nan 0.000 0.436 194 G N 0.018 108.773 108.800 -0.076 0.000 2.446 194 G HA2 -0.346 3.613 3.960 -0.000 0.000 0.217 194 G HA3 -0.346 3.613 3.960 -0.000 0.000 0.217 194 G C 1.736 176.593 174.900 -0.071 0.000 1.168 194 G CA 1.058 46.118 45.100 -0.067 0.000 0.771 194 G HN 0.226 nan 8.290 nan 0.000 0.551 195 K N 0.708 121.062 120.400 -0.076 0.000 2.103 195 K HA -0.037 4.283 4.320 -0.000 0.000 0.207 195 K C 2.359 178.919 176.600 -0.068 0.000 1.048 195 K CA 1.218 57.462 56.287 -0.073 0.000 0.930 195 K CB -0.219 32.238 32.500 -0.072 0.000 0.716 195 K HN 0.133 nan 8.250 nan 0.000 0.444 196 K N 0.580 120.942 120.400 -0.063 0.000 2.001 196 K HA -0.024 4.296 4.320 -0.000 0.000 0.208 196 K C 2.096 178.660 176.600 -0.061 0.000 1.048 196 K CA 1.669 57.923 56.287 -0.055 0.000 0.932 196 K CB -0.382 32.091 32.500 -0.045 0.000 0.715 196 K HN 0.243 nan 8.250 nan 0.000 0.437 197 I N 0.953 121.487 120.570 -0.060 0.000 2.335 197 I HA -0.272 3.898 4.170 -0.000 0.000 0.251 197 I C 2.417 178.473 176.117 -0.102 0.000 1.129 197 I CA 1.137 62.396 61.300 -0.069 0.000 1.402 197 I CB -0.376 37.591 38.000 -0.055 0.000 1.069 197 I HN 0.099 nan 8.210 nan 0.000 0.424 198 A N 0.763 123.524 122.820 -0.099 0.000 1.898 198 A HA -0.158 4.162 4.320 -0.000 0.000 0.216 198 A C 2.343 179.851 177.584 -0.125 0.000 1.181 198 A CA 1.263 53.228 52.037 -0.121 0.000 0.620 198 A CB -0.304 18.641 19.000 -0.092 0.000 0.819 198 A HN 0.175 nan 8.150 nan 0.000 0.442 199 K N -0.143 120.200 120.400 -0.095 0.000 2.103 199 K HA -0.127 4.193 4.320 -0.000 0.000 0.207 199 K C 1.890 178.437 176.600 -0.089 0.000 1.048 199 K CA 1.579 57.816 56.287 -0.083 0.000 0.930 199 K CB -0.656 31.805 32.500 -0.065 0.000 0.716 199 K HN 0.742 nan 8.250 nan 0.000 0.444 200 I N -0.242 120.273 120.570 -0.091 0.000 2.439 200 I HA -0.185 3.985 4.170 -0.000 0.000 0.251 200 I C 1.755 177.800 176.117 -0.121 0.000 1.139 200 I CA 1.016 62.265 61.300 -0.085 0.000 1.438 200 I CB 0.051 38.011 38.000 -0.066 0.000 1.085 200 I HN -0.006 nan 8.210 nan 0.000 0.427 201 L N 0.721 121.827 121.223 -0.196 0.000 2.240 201 L HA 0.021 4.361 4.340 -0.000 0.000 0.211 201 L C 0.941 177.630 176.870 -0.301 0.000 1.106 201 L CA 0.544 55.172 54.840 -0.352 0.000 0.793 201 L CB -0.353 41.344 42.059 -0.603 0.000 0.927 201 L HN 0.221 nan 8.230 nan 0.000 0.446 202 K N 0.298 120.579 120.400 -0.198 0.000 3.203 202 K HA -0.109 4.211 4.320 -0.000 0.000 0.270 202 K C -0.881 175.639 176.600 -0.133 0.000 1.132 202 K CA 0.376 56.586 56.287 -0.128 0.000 0.794 202 K CB -1.631 30.821 32.500 -0.080 0.000 1.270 202 K HN 0.290 nan 8.250 nan 0.000 0.491 203 V N -3.159 116.659 119.914 -0.159 0.000 3.130 203 V HA 0.771 4.890 4.120 -0.000 0.000 0.310 203 V C -2.144 173.909 176.094 -0.068 0.000 1.158 203 V CA -1.926 60.304 62.300 -0.115 0.000 1.029 203 V CB 1.847 33.565 31.823 -0.175 0.000 1.057 203 V HN -0.003 nan 8.190 nan 0.000 0.436 208 H N 4.310 123.258 119.070 -0.202 0.000 2.525 208 H HA 0.835 5.391 4.556 -0.000 0.000 0.339 208 H C -0.462 174.800 175.328 -0.109 0.000 1.109 208 H CA -0.630 55.341 56.048 -0.129 0.000 1.352 208 H CB 1.961 31.751 29.762 0.047 0.000 1.461 208 H HN 0.658 nan 8.280 nan 0.000 0.533 209 V N 2.509 122.190 119.914 -0.388 0.000 2.769 209 V HA 0.923 5.043 4.120 -0.000 0.000 0.312 209 V C 0.369 176.123 176.094 -0.566 0.000 1.058 209 V CA 0.111 62.117 62.300 -0.491 0.000 0.952 209 V CB 1.139 32.443 31.823 -0.865 0.000 1.019 209 V HN 1.120 nan 8.190 nan 0.000 0.445 210 G N 1.877 110.463 108.800 -0.356 0.000 2.604 210 G HA2 0.494 4.453 3.960 -0.000 0.000 0.242 210 G HA3 0.494 4.453 3.960 -0.000 0.000 0.242 210 G C -1.109 173.693 174.900 -0.163 0.000 1.208 210 G CA -0.750 44.177 45.100 -0.289 0.000 0.912 210 G HN 0.812 nan 8.290 nan 0.000 0.502 211 E N 2.330 122.412 120.200 -0.197 0.000 3.197 211 E HA 0.040 4.390 4.350 -0.000 0.000 0.251 211 E C -1.371 175.189 176.600 -0.068 0.000 0.912 211 E CA 0.029 56.309 56.400 -0.199 0.000 0.960 211 E CB 0.433 29.749 29.700 -0.640 0.000 0.897 211 E HN 0.213 nan 8.360 nan 0.000 0.550 212 P HA -0.268 nan 4.420 nan 0.000 0.228 212 P C -1.424 175.931 177.300 0.091 0.000 1.153 212 P CA 1.696 64.839 63.100 0.072 0.000 0.897 212 P CB -0.853 30.896 31.700 0.081 0.000 0.782 213 P HA -0.167 nan 4.420 nan 0.000 0.218 213 P C 1.460 178.814 177.300 0.091 0.000 1.150 213 P CA 2.631 65.819 63.100 0.148 0.000 0.841 213 P CB -0.652 31.204 31.700 0.261 0.000 0.784 214 A N -2.236 120.623 122.820 0.065 0.000 2.267 214 A HA 0.203 4.523 4.320 -0.000 0.000 0.213 214 A C 0.325 177.917 177.584 0.014 0.000 1.192 214 A CA -0.252 51.797 52.037 0.020 0.000 0.851 214 A CB -0.506 18.499 19.000 0.009 0.000 0.881 214 A HN 0.112 nan 8.150 nan 0.000 0.494 215 L N -1.114 120.132 121.223 0.038 0.000 3.260 215 L HA -0.255 4.084 4.340 -0.000 0.000 0.527 215 L C 0.810 177.741 176.870 0.103 0.000 1.002 215 L CA 0.422 55.300 54.840 0.064 0.000 1.246 215 L CB -1.389 40.702 42.059 0.053 0.000 1.077 215 L HN 0.555 nan 8.230 nan 0.000 0.594 216 Y N 2.856 123.143 120.300 -0.020 0.000 2.069 216 Y HA -0.291 4.258 4.550 -0.000 0.000 0.278 216 Y C 1.913 177.796 175.900 -0.028 0.000 1.175 216 Y CA 2.514 60.598 58.100 -0.027 0.000 1.134 216 Y CB -0.106 38.341 38.460 -0.021 0.000 0.965 216 Y HN 0.864 nan 8.280 nan 0.000 0.498 217 D N -0.173 120.327 120.400 0.168 0.000 2.116 217 D HA -0.210 4.429 4.640 -0.000 0.000 0.193 217 D C 2.026 178.354 176.300 0.047 0.000 0.998 217 D CA 2.057 56.080 54.000 0.038 0.000 0.836 217 D CB -0.506 40.295 40.800 0.002 0.000 0.951 217 D HN 0.553 nan 8.370 nan 0.000 0.449 218 E N 0.095 120.323 120.200 0.047 0.000 2.204 218 E HA -0.083 4.267 4.350 -0.000 0.000 0.194 218 E C 2.155 178.763 176.600 0.014 0.000 0.989 218 E CA 0.385 56.795 56.400 0.017 0.000 0.824 218 E CB 0.166 29.868 29.700 0.004 0.000 0.756 218 E HN 0.144 nan 8.360 nan 0.000 0.477 219 V N 1.314 121.255 119.914 0.045 0.000 2.283 219 V HA -0.223 3.896 4.120 -0.000 0.000 0.243 219 V C 2.247 178.357 176.094 0.027 0.000 1.039 219 V CA 1.351 63.664 62.300 0.021 0.000 1.016 219 V CB -0.426 31.406 31.823 0.015 0.000 0.650 219 V HN 0.262 nan 8.190 nan 0.000 0.449 220 L N -0.046 121.227 121.223 0.083 0.000 2.349 220 L HA -0.194 4.146 4.340 -0.000 0.000 0.220 220 L C 2.476 179.344 176.870 -0.003 0.000 1.130 220 L CA 1.225 56.091 54.840 0.044 0.000 0.791 220 L CB -0.389 41.701 42.059 0.052 0.000 0.918 220 L HN 0.400 nan 8.230 nan 0.000 0.444 221 E N 0.396 120.593 120.200 -0.004 0.000 2.076 221 E HA -0.190 4.160 4.350 -0.000 0.000 0.190 221 E C 1.907 178.490 176.600 -0.028 0.000 0.979 221 E CA 0.765 57.154 56.400 -0.019 0.000 0.807 221 E CB 0.054 29.744 29.700 -0.016 0.000 0.761 221 E HN 0.336 nan 8.360 nan 0.000 0.454 222 I N -0.027 120.524 120.570 -0.032 0.000 2.716 222 I HA 0.058 4.228 4.170 -0.000 0.000 0.259 222 I C -0.128 175.960 176.117 -0.049 0.000 1.172 222 I CA 0.316 61.590 61.300 -0.043 0.000 1.478 222 I CB 0.077 38.045 38.000 -0.053 0.000 1.104 222 I HN -0.026 nan 8.210 nan 0.000 0.439 223 L N 1.217 122.412 121.223 -0.048 0.000 2.456 223 L HA 0.441 4.781 4.340 -0.000 0.000 0.272 223 L C 0.872 177.707 176.870 -0.058 0.000 1.189 223 L CA 0.402 55.208 54.840 -0.057 0.000 0.846 223 L CB 0.066 42.090 42.059 -0.059 0.000 1.111 223 L HN 0.243 nan 8.230 nan 0.000 0.475 224 G N 2.647 111.409 108.800 -0.064 0.000 2.932 224 G HA2 0.657 4.617 3.960 -0.000 0.000 0.283 224 G HA3 0.657 4.617 3.960 -0.000 0.000 0.283 224 G C -2.850 172.004 174.900 -0.077 0.000 1.336 224 G CA -1.483 43.579 45.100 -0.064 0.000 1.056 224 G HN 0.413 nan 8.290 nan 0.000 0.522 225 P HA 0.220 nan 4.420 nan 0.000 0.262 225 P C 0.883 178.123 177.300 -0.100 0.000 1.182 225 P CA 1.853 64.897 63.100 -0.093 0.000 0.761 225 P CB 1.001 32.655 31.700 -0.076 0.000 0.795 226 G N 1.784 110.502 108.800 -0.137 0.000 2.213 226 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.236 226 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.236 226 G C 0.056 174.889 174.900 -0.111 0.000 0.991 226 G CA -0.320 44.703 45.100 -0.128 0.000 0.629 226 G HN 0.488 nan 8.290 nan 0.000 0.517 227 D N -0.026 120.306 120.400 -0.113 0.000 2.354 227 D HA 0.569 5.208 4.640 -0.000 0.000 0.247 227 D C 0.298 176.521 176.300 -0.127 0.000 1.138 227 D CA 0.017 53.957 54.000 -0.100 0.000 0.958 227 D CB 1.948 42.691 40.800 -0.095 0.000 1.144 227 D HN 0.174 nan 8.370 nan 0.000 0.458 228 V N 1.238 121.073 119.914 -0.132 0.000 2.540 228 V HA 0.275 4.395 4.120 -0.000 0.000 0.302 228 V C -0.083 175.902 176.094 -0.182 0.000 1.035 228 V CA -0.827 61.382 62.300 -0.152 0.000 0.873 228 V CB 2.047 33.779 31.823 -0.150 0.000 0.992 228 V HN 0.226 nan 8.190 nan 0.000 0.428 229 V N 4.306 124.126 119.914 -0.157 0.000 2.328 229 V HA 0.394 4.514 4.120 -0.000 0.000 0.278 229 V C 0.463 176.432 176.094 -0.208 0.000 1.021 229 V CA -0.276 61.920 62.300 -0.173 0.000 0.838 229 V CB 1.462 33.224 31.823 -0.102 0.000 0.999 229 V HN 0.999 nan 8.190 nan 0.000 0.447 230 T N 3.127 117.519 114.554 -0.271 0.000 2.847 230 T HA 0.357 4.706 4.350 -0.000 0.000 0.279 230 T C 0.470 174.961 174.700 -0.347 0.000 0.984 230 T CA -0.322 61.573 62.100 -0.342 0.000 0.988 230 T CB 0.262 68.851 68.868 -0.464 0.000 1.040 230 T HN 0.809 nan 8.240 nan 0.000 0.528 231 H N -1.847 117.163 119.070 -0.100 0.000 2.791 231 H HA -0.181 4.375 4.556 -0.000 0.000 0.302 231 H C 1.678 176.920 175.328 -0.143 0.000 1.198 231 H CA 0.347 56.314 56.048 -0.134 0.000 1.145 231 H CB -2.410 27.233 29.762 -0.198 0.000 1.385 231 H HN 0.904 nan 8.280 nan 0.000 0.409 232 C N -2.019 117.228 119.300 -0.089 0.000 2.422 232 C HA -0.046 4.414 4.460 -0.000 0.000 0.279 232 C C 1.937 177.015 174.990 0.148 0.000 1.305 232 C CA 0.327 59.312 59.018 -0.055 0.000 1.757 232 C CB -1.061 26.502 27.740 -0.295 0.000 1.962 232 C HN 0.302 nan 8.230 nan 0.000 0.499 233 F N 3.784 123.806 119.950 0.119 0.000 2.925 233 F HA 0.314 4.841 4.527 -0.000 0.000 0.302 233 F C 0.935 176.709 175.800 -0.043 0.000 1.189 233 F CA -1.853 56.184 58.000 0.062 0.000 1.346 233 F CB -1.253 37.796 39.000 0.082 0.000 0.954 233 F HN 0.444 nan 8.300 nan 0.000 0.506 234 N N -0.012 118.775 118.700 0.145 0.000 2.415 234 N HA 0.129 4.869 4.740 -0.000 0.000 0.248 234 N C 0.810 176.311 175.510 -0.014 0.000 1.271 234 N CA 0.335 53.386 53.050 0.001 0.000 0.913 234 N CB 1.497 39.958 38.487 -0.043 0.000 1.129 234 N HN 0.242 nan 8.380 nan 0.000 0.444 235 G N 0.676 109.429 108.800 -0.078 0.000 4.644 235 G HA2 0.129 4.089 3.960 -0.000 0.000 0.307 235 G HA3 0.129 4.089 3.960 -0.000 0.000 0.307 235 G C -0.309 174.564 174.900 -0.045 0.000 1.331 235 G CA -0.475 44.585 45.100 -0.066 0.000 1.059 235 G HN 0.381 nan 8.290 nan 0.000 0.590 236 K N 0.549 120.930 120.400 -0.030 0.000 2.270 236 K HA 0.448 4.768 4.320 -0.000 0.000 0.255 236 K C 0.036 176.635 176.600 -0.002 0.000 0.936 236 K CA -0.668 55.605 56.287 -0.025 0.000 0.809 236 K CB 1.986 34.458 32.500 -0.048 0.000 1.131 236 K HN 0.074 nan 8.250 nan 0.000 0.427 237 S N 0.355 116.058 115.700 0.004 0.000 2.558 237 S HA 0.199 4.669 4.470 -0.000 0.000 0.293 237 S C 1.286 175.902 174.600 0.027 0.000 1.292 237 S CA 1.261 59.471 58.200 0.016 0.000 1.063 237 S CB 0.075 63.286 63.200 0.017 0.000 0.831 237 S HN 0.858 nan 8.310 nan 0.000 0.499 238 G N 1.779 110.601 108.800 0.037 0.000 2.179 238 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.260 238 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.260 238 G C 0.493 175.438 174.900 0.075 0.000 0.977 238 G CA 0.570 45.700 45.100 0.050 0.000 0.641 238 G HN 1.279 nan 8.290 nan 0.000 0.533 239 S N -1.632 114.121 115.700 0.088 0.000 2.820 239 S HA 0.605 5.075 4.470 -0.000 0.000 0.265 239 S C 0.332 175.092 174.600 0.267 0.000 1.043 239 S CA 0.982 59.284 58.200 0.170 0.000 1.245 239 S CB 0.764 63.987 63.200 0.039 0.000 1.187 239 S HN 1.297 nan 8.310 nan 0.000 0.673 240 S N 2.426 118.215 115.700 0.148 0.000 2.554 240 S HA 0.682 5.152 4.470 -0.000 0.000 0.278 240 S C 0.314 174.969 174.600 0.091 0.000 1.242 240 S CA -0.961 57.320 58.200 0.134 0.000 1.051 240 S CB 0.121 63.359 63.200 0.062 0.000 0.986 240 S HN 0.512 nan 8.310 nan 0.000 0.502 244 D N 1.336 121.737 120.400 0.001 0.000 2.402 244 D HA 0.122 4.762 4.640 -0.000 0.000 0.252 244 D C 0.913 177.220 176.300 0.011 0.000 1.294 244 D CA -0.314 53.686 54.000 -0.000 0.000 0.948 244 D CB 1.367 42.163 40.800 -0.005 0.000 1.202 244 D HN 0.010 nan 8.370 nan 0.000 0.561 245 E N 2.517 122.716 120.200 -0.001 0.000 2.119 245 E HA -0.285 4.065 4.350 -0.000 0.000 0.221 245 E C 0.934 177.564 176.600 0.050 0.000 1.062 245 E CA 2.245 58.648 56.400 0.004 0.000 0.894 245 E CB -0.195 29.498 29.700 -0.012 0.000 0.785 245 E HN 0.790 nan 8.360 nan 0.000 0.472 246 D N -0.064 120.352 120.400 0.028 0.000 2.363 246 D HA -0.069 4.571 4.640 -0.000 0.000 0.226 246 D C 1.827 178.131 176.300 0.007 0.000 1.020 246 D CA 0.117 54.133 54.000 0.028 0.000 0.892 246 D CB -0.066 40.739 40.800 0.008 0.000 0.900 246 D HN 0.084 nan 8.370 nan 0.000 0.531 247 L N -0.643 120.578 121.223 -0.003 0.000 2.131 247 L HA 0.143 4.482 4.340 -0.000 0.000 0.206 247 L C 1.666 178.485 176.870 -0.085 0.000 1.087 247 L CA 1.205 55.992 54.840 -0.088 0.000 0.767 247 L CB -0.760 41.221 42.059 -0.130 0.000 0.917 247 L HN 0.147 nan 8.230 nan 0.000 0.441 248 F N 0.658 120.539 119.950 -0.116 0.000 2.084 248 F HA -0.202 4.325 4.527 -0.000 0.000 0.296 248 F C 2.293 178.058 175.800 -0.059 0.000 1.111 248 F CA 1.859 59.811 58.000 -0.080 0.000 1.224 248 F CB -0.378 38.590 39.000 -0.053 0.000 0.991 248 F HN 0.207 nan 8.300 nan 0.000 0.471 249 N N 0.938 119.758 118.700 0.199 0.000 2.192 249 N HA -0.203 4.537 4.740 -0.000 0.000 0.188 249 N C 2.088 177.570 175.510 -0.047 0.000 1.013 249 N CA 1.410 54.518 53.050 0.097 0.000 0.863 249 N CB -0.609 37.942 38.487 0.107 0.000 0.990 249 N HN 0.363 nan 8.380 nan 0.000 0.430 250 L N 0.940 122.118 121.223 -0.074 0.000 2.131 250 L HA 0.064 4.403 4.340 -0.000 0.000 0.206 250 L C 2.086 178.868 176.870 -0.147 0.000 1.087 250 L CA 1.056 55.838 54.840 -0.097 0.000 0.767 250 L CB -0.842 41.163 42.059 -0.090 0.000 0.917 250 L HN 0.005 nan 8.230 nan 0.000 0.441 251 A N 0.149 122.834 122.820 -0.226 0.000 1.877 251 A HA -0.274 4.046 4.320 -0.000 0.000 0.216 251 A C 2.208 179.651 177.584 -0.235 0.000 1.186 251 A CA 1.749 53.640 52.037 -0.243 0.000 0.620 251 A CB -0.587 18.225 19.000 -0.313 0.000 0.822 251 A HN 0.608 nan 8.150 nan 0.000 0.443 252 E N -0.391 119.605 120.200 -0.340 0.000 2.077 252 E HA -0.229 4.121 4.350 -0.000 0.000 0.193 252 E C 2.299 178.818 176.600 -0.134 0.000 0.989 252 E CA 1.084 57.325 56.400 -0.266 0.000 0.800 252 E CB -0.191 29.320 29.700 -0.314 0.000 0.746 252 E HN 0.534 nan 8.360 nan 0.000 0.452 253 R N 0.442 120.876 120.500 -0.110 0.000 2.094 253 R HA -0.130 4.210 4.340 -0.000 0.000 0.239 253 R C 0.969 177.228 176.300 -0.068 0.000 1.137 253 R CA 1.328 57.387 56.100 -0.067 0.000 0.943 253 R CB -0.658 29.609 30.300 -0.054 0.000 0.850 253 R HN 0.286 nan 8.270 nan 0.000 0.433 258 G N 0.789 109.524 108.800 -0.109 0.000 3.288 258 G HA2 -0.034 3.926 3.960 -0.000 0.000 0.219 258 G HA3 -0.034 3.926 3.960 -0.000 0.000 0.219 258 G C -0.306 174.479 174.900 -0.193 0.000 0.944 258 G CA -0.717 44.294 45.100 -0.148 0.000 0.854 258 G HN -0.000 nan 8.290 nan 0.000 0.632 259 I N 2.974 123.447 120.570 -0.160 0.000 2.396 259 I HA 0.435 4.605 4.170 -0.000 0.000 0.289 259 I C 0.244 176.233 176.117 -0.213 0.000 1.056 259 I CA -0.854 60.350 61.300 -0.160 0.000 1.365 259 I CB 0.859 38.797 38.000 -0.103 0.000 1.407 259 I HN -0.062 nan 8.210 nan 0.000 0.509 260 R N 7.499 127.837 120.500 -0.271 0.000 2.210 260 R HA 0.362 4.701 4.340 -0.000 0.000 0.338 260 R C -0.751 175.482 176.300 -0.111 0.000 1.062 260 R CA -0.537 55.373 56.100 -0.317 0.000 0.902 260 R CB 0.056 30.069 30.300 -0.479 0.000 1.050 260 R HN 0.536 nan 8.270 nan 0.000 0.461 261 L N 2.989 124.182 121.223 -0.049 0.000 2.315 261 L HA 0.190 4.530 4.340 -0.000 0.000 0.283 261 L C 0.402 177.223 176.870 -0.082 0.000 1.089 261 L CA -0.261 54.522 54.840 -0.095 0.000 0.833 261 L CB 0.441 42.410 42.059 -0.150 0.000 1.170 261 L HN 0.432 nan 8.230 nan 0.000 0.442 262 D N 2.422 122.744 120.400 -0.129 0.000 2.342 262 D HA 0.329 4.969 4.640 -0.000 0.000 0.243 262 D C 0.882 177.068 176.300 -0.190 0.000 1.019 262 D CA -0.631 53.299 54.000 -0.117 0.000 0.864 262 D CB 1.579 42.338 40.800 -0.068 0.000 1.315 262 D HN 0.173 nan 8.370 nan 0.000 0.468 263 I N 2.185 122.650 120.570 -0.175 0.000 2.141 263 I HA 0.105 4.275 4.170 -0.000 0.000 0.236 263 I C 1.541 177.611 176.117 -0.078 0.000 1.071 263 I CA 1.336 62.547 61.300 -0.148 0.000 1.345 263 I CB -1.695 36.193 38.000 -0.187 0.000 1.066 263 I HN 0.832 nan 8.210 nan 0.000 0.406 264 G N 1.301 110.039 108.800 -0.104 0.000 2.370 264 G HA2 -0.339 3.621 3.960 -0.000 0.000 0.293 264 G HA3 -0.339 3.621 3.960 -0.000 0.000 0.293 264 G C 0.822 175.740 174.900 0.030 0.000 0.992 264 G CA 1.288 46.298 45.100 -0.150 0.000 1.247 264 G HN 0.605 nan 8.290 nan 0.000 0.505 265 H N 0.525 119.510 119.070 -0.141 0.000 2.261 265 H HA 0.112 4.668 4.556 -0.000 0.000 0.290 265 H C 2.281 177.564 175.328 -0.075 0.000 1.081 265 H CA 3.238 59.211 56.048 -0.125 0.000 1.196 265 H CB -0.152 29.441 29.762 -0.282 0.000 1.350 265 H HN 1.981 nan 8.280 nan 0.000 0.498 266 G N -2.175 106.697 108.800 0.119 0.000 2.907 266 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.242 266 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.242 266 G C 1.021 175.974 174.900 0.088 0.000 1.448 266 G CA 0.106 45.253 45.100 0.079 0.000 0.911 266 G HN 0.874 nan 8.290 nan 0.000 0.553 267 G N -0.962 107.873 108.800 0.058 0.000 2.625 267 G HA2 0.460 4.419 3.960 -0.000 0.000 0.214 267 G HA3 0.460 4.419 3.960 -0.000 0.000 0.214 267 G C 0.977 175.885 174.900 0.013 0.000 1.132 267 G CA 2.009 47.134 45.100 0.042 0.000 0.782 267 G HN 2.141 nan 8.290 nan 0.000 0.538 268 A N -0.626 122.166 122.820 -0.046 0.000 2.816 268 A HA 0.585 4.905 4.320 -0.000 0.000 0.208 268 A C 0.653 178.127 177.584 -0.184 0.000 0.896 268 A CA 0.140 52.120 52.037 -0.095 0.000 1.183 268 A CB 0.126 19.089 19.000 -0.062 0.000 1.249 268 A HN 0.057 nan 8.150 nan 0.000 0.484 269 S N -0.538 115.029 115.700 -0.222 0.000 2.937 269 S HA 0.413 4.883 4.470 -0.000 0.000 0.252 269 S C -0.742 173.787 174.600 -0.118 0.000 1.022 269 S CA -0.157 57.916 58.200 -0.212 0.000 1.079 269 S CB -0.040 62.975 63.200 -0.308 0.000 1.035 269 S HN 0.600 nan 8.310 nan 0.000 0.594 270 F N 1.905 121.569 119.950 -0.478 0.000 2.569 270 F HA 0.709 5.236 4.527 -0.000 0.000 0.312 270 F C -0.791 174.764 175.800 -0.408 0.000 1.109 270 F CA -0.615 57.088 58.000 -0.495 0.000 0.919 270 F CB 1.823 40.268 39.000 -0.926 0.000 1.211 270 F HN -0.088 nan 8.300 nan 0.000 0.446 271 S N 5.352 120.348 115.700 -1.173 0.000 2.594 271 S HA 0.412 4.882 4.470 -0.000 0.000 0.296 271 S C 0.406 174.377 174.600 -1.049 0.000 1.124 271 S CA -0.480 57.195 58.200 -0.875 0.000 1.011 271 S CB 0.455 63.419 63.200 -0.392 0.000 1.016 271 S HN 0.559 nan 8.310 nan 0.000 0.485 272 F N 3.689 123.264 119.950 -0.625 0.000 2.126 272 F HA 0.014 4.541 4.527 -0.000 0.000 0.299 272 F C 2.820 178.456 175.800 -0.273 0.000 1.096 272 F CA 1.948 59.736 58.000 -0.353 0.000 1.255 272 F CB -0.789 38.145 39.000 -0.108 0.000 0.997 272 F HN 0.729 nan 8.300 nan 0.000 0.479 273 K N 0.273 120.649 120.400 -0.040 0.000 2.032 273 K HA -0.101 4.219 4.320 -0.000 0.000 0.209 273 K C 2.162 178.672 176.600 -0.150 0.000 1.048 273 K CA 1.925 58.170 56.287 -0.071 0.000 0.927 273 K CB -1.542 30.922 32.500 -0.059 0.000 0.712 273 K HN 0.176 nan 8.250 nan 0.000 0.441 274 V N 0.796 120.574 119.914 -0.227 0.000 2.358 274 V HA -0.148 3.971 4.120 -0.000 0.000 0.246 274 V C 2.928 178.754 176.094 -0.446 0.000 1.047 274 V CA 1.824 63.966 62.300 -0.263 0.000 1.035 274 V CB -0.700 31.002 31.823 -0.202 0.000 0.658 274 V HN 0.681 nan 8.190 nan 0.000 0.452 275 A N 0.030 122.546 122.820 -0.507 0.000 1.902 275 A HA -0.193 4.127 4.320 -0.000 0.000 0.217 275 A C 2.338 179.762 177.584 -0.267 0.000 1.181 275 A CA 2.257 53.972 52.037 -0.538 0.000 0.623 275 A CB -0.805 18.156 19.000 -0.065 0.000 0.818 275 A HN 0.602 nan 8.150 nan 0.000 0.443 276 E N -0.234 119.890 120.200 -0.127 0.000 2.031 276 E HA -0.029 4.321 4.350 -0.000 0.000 0.193 276 E C 2.344 178.890 176.600 -0.089 0.000 0.994 276 E CA 2.187 58.557 56.400 -0.051 0.000 0.800 276 E CB -1.251 28.441 29.700 -0.014 0.000 0.752 276 E HN 1.028 nan 8.360 nan 0.000 0.447 277 A N 0.810 123.551 122.820 -0.132 0.000 1.902 277 A HA 0.238 4.558 4.320 -0.000 0.000 0.217 277 A C 2.810 180.318 177.584 -0.128 0.000 1.181 277 A CA 2.706 54.661 52.037 -0.136 0.000 0.623 277 A CB -0.712 18.194 19.000 -0.157 0.000 0.818 277 A HN 1.058 nan 8.150 nan 0.000 0.443 278 A N -0.566 122.167 122.820 -0.144 0.000 1.968 278 A HA 0.075 4.395 4.320 -0.000 0.000 0.217 278 A C 2.027 179.642 177.584 0.051 0.000 1.169 278 A CA 1.256 53.313 52.037 0.034 0.000 0.638 278 A CB -0.491 18.413 19.000 -0.161 0.000 0.812 278 A HN 0.482 nan 8.150 nan 0.000 0.446 279 I N -0.435 120.113 120.570 -0.036 0.000 2.546 279 I HA -0.165 4.005 4.170 -0.000 0.000 0.255 279 I C 2.750 178.897 176.117 0.050 0.000 1.163 279 I CA 0.741 62.066 61.300 0.042 0.000 1.457 279 I CB -0.098 37.931 38.000 0.049 0.000 1.092 279 I HN 0.343 nan 8.210 nan 0.000 0.434 280 A N 0.882 123.713 122.820 0.019 0.000 1.968 280 A HA -0.096 4.224 4.320 -0.000 0.000 0.217 280 A C 2.082 179.685 177.584 0.031 0.000 1.169 280 A CA 1.019 53.064 52.037 0.014 0.000 0.638 280 A CB -0.355 18.635 19.000 -0.018 0.000 0.812 280 A HN 0.310 nan 8.150 nan 0.000 0.446 281 R N -0.781 119.752 120.500 0.054 0.000 2.423 281 R HA 0.269 4.608 4.340 -0.000 0.000 0.248 281 R C 1.105 177.503 176.300 0.164 0.000 1.019 281 R CA 0.512 56.674 56.100 0.103 0.000 1.119 281 R CB -0.294 30.079 30.300 0.121 0.000 1.176 281 R HN 0.604 nan 8.270 nan 0.000 0.526 282 G N 1.004 109.877 108.800 0.122 0.000 2.168 282 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.257 282 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.257 282 G C -0.200 174.776 174.900 0.127 0.000 0.997 282 G CA 0.137 45.304 45.100 0.112 0.000 0.708 282 G HN 0.299 nan 8.290 nan 0.000 0.520 283 L N 1.203 122.528 121.223 0.169 0.000 2.272 283 L HA 0.717 5.057 4.340 -0.000 0.000 0.284 283 L C 0.270 177.280 176.870 0.232 0.000 1.045 283 L CA -0.774 54.160 54.840 0.156 0.000 0.842 283 L CB 0.520 42.639 42.059 0.100 0.000 1.224 283 L HN 0.155 nan 8.230 nan 0.000 0.430 284 L N 6.116 127.458 121.223 0.198 0.000 2.375 284 L HA 0.626 4.966 4.340 -0.000 0.000 0.268 284 L C -1.869 175.137 176.870 0.226 0.000 1.058 284 L CA -1.881 53.097 54.840 0.229 0.000 0.803 284 L CB 1.327 43.466 42.059 0.134 0.000 1.212 284 L HN 0.492 nan 8.230 nan 0.000 0.451 285 P HA 0.045 nan 4.420 nan 0.000 0.284 285 P C 0.273 177.590 177.300 0.028 0.000 1.253 285 P CA -0.379 62.728 63.100 0.012 0.000 0.800 285 P CB 0.979 32.623 31.700 -0.093 0.000 0.961 286 F N 2.593 122.485 119.950 -0.098 0.000 2.134 286 F HA -0.113 4.414 4.527 -0.000 0.000 0.299 286 F C 0.817 176.560 175.800 -0.096 0.000 1.097 286 F CA 1.571 59.523 58.000 -0.080 0.000 1.264 286 F CB 0.031 38.984 39.000 -0.078 0.000 1.001 286 F HN 0.409 nan 8.300 nan 0.000 0.479 287 S N -0.520 115.090 115.700 -0.151 0.000 2.541 287 S HA 0.551 5.021 4.470 -0.000 0.000 0.271 287 S C -0.902 173.580 174.600 -0.197 0.000 1.133 287 S CA -0.942 57.102 58.200 -0.259 0.000 0.876 287 S CB 1.455 64.540 63.200 -0.192 0.000 1.105 287 S HN 0.085 nan 8.310 nan 0.000 0.470 288 I N 3.238 123.655 120.570 -0.256 0.000 2.331 288 I HA 0.492 4.662 4.170 -0.000 0.000 0.292 288 I C 0.218 176.194 176.117 -0.235 0.000 0.998 288 I CA -0.171 60.969 61.300 -0.266 0.000 1.267 288 I CB 1.515 39.305 38.000 -0.351 0.000 1.386 288 I HN 0.908 nan 8.210 nan 0.000 0.476 289 S N 2.318 117.903 115.700 -0.191 0.000 2.595 289 S HA 0.346 4.816 4.470 -0.000 0.000 0.281 289 S C 0.111 174.621 174.600 -0.150 0.000 1.117 289 S CA -0.601 57.520 58.200 -0.131 0.000 0.873 289 S CB 2.035 65.214 63.200 -0.035 0.000 1.108 289 S HN 0.580 nan 8.310 nan 0.000 0.477 290 T N -0.206 114.276 114.554 -0.120 0.000 3.010 290 T HA 0.078 4.428 4.350 -0.000 0.000 0.252 290 T C 0.439 175.065 174.700 -0.122 0.000 1.047 290 T CA 1.304 63.324 62.100 -0.133 0.000 1.140 290 T CB -1.051 67.749 68.868 -0.113 0.000 0.885 290 T HN 0.988 nan 8.240 nan 0.000 0.464 291 D N 0.064 120.371 120.400 -0.155 0.000 2.708 291 D HA -0.154 4.486 4.640 -0.000 0.000 0.236 291 D C -0.638 175.711 176.300 0.082 0.000 1.146 291 D CA 0.149 54.010 54.000 -0.231 0.000 0.662 291 D CB -1.768 38.746 40.800 -0.476 0.000 1.059 291 D HN 0.377 nan 8.370 nan 0.000 0.428 292 L N 1.744 123.003 121.223 0.059 0.000 2.380 292 L HA 0.525 4.865 4.340 -0.000 0.000 0.273 292 L C 0.524 177.498 176.870 0.172 0.000 1.138 292 L CA 0.489 55.330 54.840 0.000 0.000 0.832 292 L CB 0.734 42.773 42.059 -0.033 0.000 1.124 292 L HN 0.449 nan 8.230 nan 0.000 0.454 293 H N 0.587 119.708 119.070 0.084 0.000 2.917 293 H HA 0.413 4.969 4.556 -0.000 0.000 0.299 293 H C 0.681 176.018 175.328 0.015 0.000 1.418 293 H CA -0.553 55.550 56.048 0.090 0.000 1.138 293 H CB 0.133 29.966 29.762 0.118 0.000 1.830 293 H HN 0.450 nan 8.280 nan 0.000 0.514 294 G N -0.397 108.499 108.800 0.160 0.000 2.679 294 G HA2 -0.344 3.616 3.960 -0.000 0.000 0.222 294 G HA3 -0.344 3.616 3.960 -0.000 0.000 0.222 294 G C 0.497 175.413 174.900 0.027 0.000 1.164 294 G CA 1.587 46.689 45.100 0.003 0.000 0.769 294 G HN 0.832 nan 8.290 nan 0.000 0.610 295 H N -0.129 119.046 119.070 0.175 0.000 2.577 295 H HA 0.469 5.025 4.556 -0.000 0.000 0.306 295 H C 0.357 175.609 175.328 -0.125 0.000 1.109 295 H CA -0.257 55.840 56.048 0.081 0.000 1.063 295 H CB 0.144 30.026 29.762 0.200 0.000 1.535 295 H HN 0.441 nan 8.280 nan 0.000 0.532 299 F N 1.830 121.940 119.950 0.265 0.000 2.482 299 F HA 0.566 5.093 4.527 -0.000 0.000 0.278 299 F C -1.488 174.379 175.800 0.111 0.000 0.969 299 F CA 0.302 58.487 58.000 0.308 0.000 1.223 299 F CB -1.038 38.079 39.000 0.194 0.000 1.140 299 F HN -0.121 nan 8.300 nan 0.000 0.672 300 P HA -0.108 nan 4.420 nan 0.000 0.205 300 P C -0.056 176.710 177.300 -0.891 0.000 1.181 300 P CA 1.762 64.357 63.100 -0.841 0.000 0.933 300 P CB -0.148 31.339 31.700 -0.355 0.000 0.775 301 V N -1.768 117.735 119.914 -0.686 0.000 2.837 301 V HA 0.186 4.306 4.120 -0.000 0.000 0.310 301 V C 0.559 176.366 176.094 -0.479 0.000 1.059 301 V CA -0.444 61.392 62.300 -0.775 0.000 1.004 301 V CB 1.314 32.795 31.823 -0.570 0.000 1.045 301 V HN 0.214 nan 8.190 nan 0.000 0.465 302 W N 0.540 121.725 121.300 -0.191 0.000 2.968 302 W HA 0.288 4.948 4.660 -0.000 0.000 0.253 302 W C 0.147 176.583 176.519 -0.139 0.000 1.150 302 W CA 0.657 57.949 57.345 -0.089 0.000 1.463 302 W CB 0.100 29.663 29.460 0.172 0.000 0.906 302 W HN 0.919 nan 8.180 nan 0.000 0.650 303 D N -2.347 118.098 120.400 0.075 0.000 2.804 303 D HA 0.002 4.642 4.640 -0.000 0.000 0.309 303 D C 0.184 176.458 176.300 -0.043 0.000 1.311 303 D CA -0.631 53.389 54.000 0.035 0.000 0.765 303 D CB 0.666 41.561 40.800 0.158 0.000 1.293 303 D HN -0.187 nan 8.370 nan 0.000 0.434 304 L N 0.955 122.158 121.223 -0.033 0.000 2.046 304 L HA 0.177 4.517 4.340 -0.000 0.000 0.208 304 L C 2.393 179.145 176.870 -0.196 0.000 1.077 304 L CA 2.870 57.628 54.840 -0.137 0.000 0.747 304 L CB -1.167 40.834 42.059 -0.096 0.000 0.896 304 L HN 0.674 nan 8.230 nan 0.000 0.432 305 A N -1.507 121.301 122.820 -0.020 0.000 1.892 305 A HA -0.275 4.045 4.320 -0.000 0.000 0.218 305 A C 2.290 179.908 177.584 0.058 0.000 1.188 305 A CA 2.643 54.704 52.037 0.040 0.000 0.631 305 A CB -1.303 17.878 19.000 0.301 0.000 0.822 305 A HN 0.520 nan 8.150 nan 0.000 0.447 306 T N -0.221 114.393 114.554 0.099 0.000 2.904 306 T HA 0.014 4.364 4.350 -0.000 0.000 0.267 306 T C 1.145 175.812 174.700 -0.056 0.000 1.059 306 T CA 1.165 63.336 62.100 0.118 0.000 1.137 306 T CB -0.381 68.622 68.868 0.226 0.000 0.879 306 T HN 0.561 nan 8.240 nan 0.000 0.467 310 K N 1.425 121.936 120.400 0.186 0.000 2.160 310 K HA 0.048 4.368 4.320 -0.000 0.000 0.206 310 K C 1.465 178.284 176.600 0.365 0.000 1.047 310 K CA 1.258 57.756 56.287 0.351 0.000 0.930 310 K CB -0.240 32.381 32.500 0.202 0.000 0.720 310 K HN 0.316 nan 8.250 nan 0.000 0.450 311 L N 0.106 121.427 121.223 0.162 0.000 2.375 311 L HA -0.060 4.280 4.340 -0.000 0.000 0.215 311 L C 2.016 179.003 176.870 0.195 0.000 1.108 311 L CA 0.027 54.977 54.840 0.182 0.000 0.830 311 L CB 0.003 42.084 42.059 0.036 0.000 0.959 311 L HN 0.108 nan 8.230 nan 0.000 0.457 312 L N -0.581 120.775 121.223 0.222 0.000 2.156 312 L HA -0.127 4.213 4.340 -0.000 0.000 0.208 312 L C 2.719 179.706 176.870 0.196 0.000 1.095 312 L CA 1.796 56.781 54.840 0.242 0.000 0.770 312 L CB -0.365 41.907 42.059 0.355 0.000 0.914 312 L HN 0.327 nan 8.230 nan 0.000 0.439 313 S N -1.666 114.157 115.700 0.205 0.000 2.382 313 S HA -0.181 4.289 4.470 -0.000 0.000 0.228 313 S C 1.999 176.678 174.600 0.133 0.000 1.027 313 S CA 1.293 59.583 58.200 0.150 0.000 0.991 313 S CB -1.355 61.927 63.200 0.136 0.000 0.823 313 S HN 0.369 nan 8.310 nan 0.000 0.469 314 V N 1.131 121.158 119.914 0.190 0.000 2.221 314 V HA 0.113 4.233 4.120 -0.000 0.000 0.240 314 V C 0.338 176.497 176.094 0.108 0.000 1.041 314 V CA 2.135 64.526 62.300 0.152 0.000 0.991 314 V CB -0.376 31.564 31.823 0.195 0.000 0.634 314 V HN 0.591 nan 8.190 nan 0.000 0.450 318 F N 1.662 121.662 119.950 0.084 0.000 2.027 318 F HA -0.251 4.276 4.527 -0.000 0.000 0.297 318 F C 2.165 178.007 175.800 0.070 0.000 1.129 318 F CA 2.193 60.259 58.000 0.111 0.000 1.195 318 F CB 0.214 39.254 39.000 0.066 0.000 0.960 318 F HN 0.488 nan 8.300 nan 0.000 0.485 319 E N 0.782 121.095 120.200 0.188 0.000 2.171 319 E HA -0.235 4.115 4.350 -0.000 0.000 0.197 319 E C 1.914 178.464 176.600 -0.083 0.000 0.997 319 E CA 1.279 57.704 56.400 0.043 0.000 0.810 319 E CB -0.597 29.191 29.700 0.147 0.000 0.738 319 E HN 0.534 nan 8.360 nan 0.000 0.467 320 N N -0.260 118.410 118.700 -0.050 0.000 2.171 320 N HA -0.100 4.640 4.740 -0.000 0.000 0.184 320 N C 1.978 177.379 175.510 -0.181 0.000 1.021 320 N CA 1.090 54.090 53.050 -0.084 0.000 0.854 320 N CB -0.038 38.437 38.487 -0.020 0.000 0.994 320 N HN 0.049 nan 8.380 nan 0.000 0.426 321 V N 1.286 121.075 119.914 -0.208 0.000 2.407 321 V HA -0.144 3.976 4.120 -0.000 0.000 0.248 321 V C 2.451 178.233 176.094 -0.521 0.000 1.055 321 V CA 1.044 63.143 62.300 -0.335 0.000 1.049 321 V CB -0.373 31.280 31.823 -0.283 0.000 0.662 321 V HN 0.049 nan 8.190 nan 0.000 0.455 322 V N 1.200 120.794 119.914 -0.533 0.000 2.427 322 V HA -0.252 3.868 4.120 -0.000 0.000 0.248 322 V C 2.472 178.335 176.094 -0.385 0.000 1.051 322 V CA 2.240 64.221 62.300 -0.532 0.000 1.048 322 V CB -0.741 30.809 31.823 -0.455 0.000 0.666 322 V HN 0.872 nan 8.190 nan 0.000 0.456 323 E N 1.315 121.335 120.200 -0.300 0.000 2.285 323 E HA -0.008 4.342 4.350 -0.000 0.000 0.194 323 E C 1.927 178.325 176.600 -0.337 0.000 0.997 323 E CA 1.007 57.251 56.400 -0.260 0.000 0.845 323 E CB -0.331 29.257 29.700 -0.187 0.000 0.782 323 E HN 0.469 nan 8.360 nan 0.000 0.491 324 A N 1.042 123.635 122.820 -0.378 0.000 2.216 324 A HA 0.044 4.363 4.320 -0.000 0.000 0.214 324 A C 1.875 179.209 177.584 -0.416 0.000 1.160 324 A CA 0.738 52.522 52.037 -0.421 0.000 0.725 324 A CB 0.038 18.823 19.000 -0.359 0.000 0.784 324 A HN 0.212 nan 8.150 nan 0.000 0.472 325 V N -0.574 119.075 119.914 -0.441 0.000 3.477 325 V HA 0.070 4.190 4.120 -0.000 0.000 0.297 325 V C 1.451 177.379 176.094 -0.276 0.000 1.433 325 V CA 1.263 63.296 62.300 -0.445 0.000 1.052 325 V CB -0.053 31.291 31.823 -0.798 0.000 0.895 325 V HN 0.800 nan 8.190 nan 0.000 0.438 326 T N -2.687 111.726 114.554 -0.236 0.000 3.236 326 T HA 0.136 4.486 4.350 -0.000 0.000 0.146 326 T C 1.605 176.223 174.700 -0.136 0.000 0.898 326 T CA 0.427 62.447 62.100 -0.134 0.000 0.882 326 T CB 0.459 69.260 68.868 -0.112 0.000 1.609 326 T HN 0.009 nan 8.240 nan 0.000 0.316 327 R N 1.507 121.918 120.500 -0.148 0.000 2.122 327 R HA -0.169 4.170 4.340 -0.000 0.000 0.236 327 R C 2.250 178.475 176.300 -0.124 0.000 1.129 327 R CA 2.548 58.581 56.100 -0.111 0.000 0.925 327 R CB -0.657 29.583 30.300 -0.101 0.000 0.850 327 R HN 0.434 nan 8.270 nan 0.000 0.431 328 N N 0.461 118.989 118.700 -0.286 0.000 2.005 328 N HA -0.167 4.573 4.740 -0.000 0.000 0.199 328 N C -1.203 174.169 175.510 -0.230 0.000 1.054 328 N CA 2.079 54.791 53.050 -0.563 0.000 0.864 328 N CB -1.741 35.885 38.487 -1.435 0.000 1.063 328 N HN 0.344 nan 8.380 nan 0.000 0.428 329 P HA -0.103 nan 4.420 nan 0.000 0.217 329 P C 0.852 178.180 177.300 0.047 0.000 1.148 329 P CA 1.795 64.891 63.100 -0.007 0.000 0.828 329 P CB -0.058 31.599 31.700 -0.071 0.000 0.783 330 A N 0.884 123.703 122.820 -0.001 0.000 2.015 330 A HA -0.137 4.183 4.320 -0.000 0.000 0.219 330 A C 2.442 180.053 177.584 0.044 0.000 1.163 330 A CA 2.075 54.119 52.037 0.012 0.000 0.646 330 A CB -1.448 17.546 19.000 -0.011 0.000 0.806 330 A HN 0.416 nan 8.150 nan 0.000 0.448 331 S N -0.607 115.146 115.700 0.089 0.000 2.428 331 S HA -0.063 4.407 4.470 -0.000 0.000 0.230 331 S C 1.654 176.318 174.600 0.106 0.000 1.014 331 S CA 1.167 59.433 58.200 0.110 0.000 0.957 331 S CB -0.603 62.703 63.200 0.177 0.000 0.784 331 S HN 0.216 nan 8.310 nan 0.000 0.499 332 V N 2.941 122.943 119.914 0.147 0.000 2.379 332 V HA -0.027 4.092 4.120 -0.000 0.000 0.245 332 V C 2.263 178.389 176.094 0.054 0.000 1.044 332 V CA 1.779 64.151 62.300 0.120 0.000 1.036 332 V CB -0.722 31.221 31.823 0.201 0.000 0.664 332 V HN 0.786 nan 8.190 nan 0.000 0.453 333 I N -2.651 117.931 120.570 0.020 0.000 3.793 333 I HA 0.288 4.457 4.170 -0.000 0.000 0.315 333 I C 1.034 177.136 176.117 -0.024 0.000 1.275 333 I CA 0.051 61.324 61.300 -0.045 0.000 1.214 333 I CB -0.320 37.632 38.000 -0.080 0.000 1.018 333 I HN 0.167 nan 8.210 nan 0.000 0.439 334 R N 0.516 121.018 120.500 0.003 0.000 3.656 334 R HA -0.137 4.203 4.340 -0.000 0.000 0.297 334 R C -0.254 176.046 176.300 0.000 0.000 1.166 334 R CA 0.326 56.428 56.100 0.004 0.000 0.799 334 R CB -2.037 28.262 30.300 -0.002 0.000 1.285 334 R HN 0.398 nan 8.270 nan 0.000 0.477 335 L N 1.701 122.925 121.223 0.002 0.000 2.361 335 L HA 0.216 4.556 4.340 -0.000 0.000 0.278 335 L C 0.595 177.468 176.870 0.004 0.000 1.113 335 L CA 0.050 54.889 54.840 -0.002 0.000 0.849 335 L CB 0.747 42.803 42.059 -0.005 0.000 1.155 335 L HN 0.092 nan 8.230 nan 0.000 0.452 339 N N 1.283 120.064 118.700 0.135 0.000 2.716 339 N HA -0.235 4.505 4.740 -0.000 0.000 0.250 339 N C 0.650 176.250 175.510 0.150 0.000 1.033 339 N CA 0.497 53.620 53.050 0.123 0.000 0.727 339 N CB -0.578 37.954 38.487 0.075 0.000 0.950 339 N HN 0.394 nan 8.380 nan 0.000 0.541 340 R N 0.198 120.851 120.500 0.256 0.000 2.237 340 R HA 0.092 4.431 4.340 -0.000 0.000 0.219 340 R C 1.996 178.480 176.300 0.307 0.000 1.080 340 R CA 0.385 56.660 56.100 0.291 0.000 0.995 340 R CB -0.079 30.470 30.300 0.414 0.000 0.875 340 R HN 0.493 nan 8.270 nan 0.000 0.462 341 L N 1.180 122.504 121.223 0.167 0.000 2.554 341 L HA 0.016 4.356 4.340 -0.000 0.000 0.225 341 L C -0.078 176.813 176.870 0.036 0.000 1.104 341 L CA -0.095 54.770 54.840 0.042 0.000 0.866 341 L CB 0.032 41.901 42.059 -0.316 0.000 1.047 341 L HN 0.081 nan 8.230 nan 0.000 0.468 342 D N -0.534 119.893 120.400 0.045 0.000 2.283 342 D HA 0.174 4.814 4.640 -0.000 0.000 0.248 342 D C 0.296 176.623 176.300 0.045 0.000 1.072 342 D CA -0.468 53.550 54.000 0.031 0.000 0.929 342 D CB 1.017 41.831 40.800 0.023 0.000 1.182 342 D HN -0.268 nan 8.370 nan 0.000 0.433 343 V N 1.496 121.429 119.914 0.032 0.000 2.790 343 V HA 0.286 4.406 4.120 -0.000 0.000 0.304 343 V C 1.886 177.999 176.094 0.032 0.000 1.142 343 V CA 1.568 63.887 62.300 0.032 0.000 1.282 343 V CB -0.185 31.649 31.823 0.020 0.000 0.877 343 V HN 1.077 nan 8.190 nan 0.000 0.504 344 G N 2.519 111.338 108.800 0.033 0.000 2.490 344 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.214 344 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.214 344 G C 0.173 175.088 174.900 0.026 0.000 1.151 344 G CA -0.028 45.087 45.100 0.026 0.000 0.684 344 G HN 0.687 nan 8.290 nan 0.000 0.518 345 Q N 1.499 121.320 119.800 0.035 0.000 2.349 345 Q HA 0.222 4.562 4.340 -0.000 0.000 0.287 345 Q C 0.761 176.766 176.000 0.008 0.000 1.044 345 Q CA 0.142 55.960 55.803 0.026 0.000 0.918 345 Q CB 0.718 29.484 28.738 0.046 0.000 1.242 345 Q HN 0.702 nan 8.270 nan 0.000 0.405 346 R N 0.924 121.411 120.500 -0.023 0.000 2.442 346 R HA 0.269 4.609 4.340 -0.000 0.000 0.291 346 R C -0.525 175.695 176.300 -0.134 0.000 1.069 346 R CA -0.021 56.049 56.100 -0.050 0.000 1.022 346 R CB 0.435 30.704 30.300 -0.051 0.000 0.976 346 R HN 0.670 nan 8.270 nan 0.000 0.443 347 A N 4.376 127.115 122.820 -0.135 0.000 2.491 347 A HA 0.064 4.384 4.320 -0.000 0.000 0.261 347 A C -0.419 176.831 177.584 -0.557 0.000 1.101 347 A CA 0.208 52.019 52.037 -0.377 0.000 0.772 347 A CB 0.176 19.204 19.000 0.046 0.000 1.043 347 A HN 0.838 nan 8.150 nan 0.000 0.501 348 D N 3.215 122.988 120.400 -1.046 0.000 2.381 348 D HA 0.476 5.116 4.640 -0.000 0.000 0.245 348 D C -1.359 174.565 176.300 -0.628 0.000 1.297 348 D CA 0.039 53.691 54.000 -0.579 0.000 0.931 348 D CB 0.252 40.871 40.800 -0.302 0.000 1.334 348 D HN 0.296 nan 8.370 nan 0.000 0.535 349 F N -0.261 119.723 119.950 0.056 0.000 2.654 349 F HA 0.584 5.111 4.527 -0.000 0.000 0.334 349 F C 0.565 176.362 175.800 -0.006 0.000 1.078 349 F CA -0.855 57.183 58.000 0.064 0.000 0.986 349 F CB 1.898 40.968 39.000 0.116 0.000 1.362 349 F HN -0.197 nan 8.300 nan 0.000 0.498 350 T N 1.422 116.098 114.554 0.204 0.000 2.965 350 T HA 0.496 4.846 4.350 -0.000 0.000 0.306 350 T C -1.004 173.806 174.700 0.183 0.000 0.991 350 T CA -0.536 61.527 62.100 -0.061 0.000 1.001 350 T CB 1.244 69.664 68.868 -0.748 0.000 0.984 350 T HN 0.345 nan 8.240 nan 0.000 0.446 351 V N 5.664 125.697 119.914 0.197 0.000 2.465 351 V HA 0.794 4.914 4.120 -0.000 0.000 0.279 351 V C -0.314 175.970 176.094 0.316 0.000 1.045 351 V CA -0.514 61.920 62.300 0.224 0.000 0.938 351 V CB 0.151 32.113 31.823 0.232 0.000 0.986 351 V HN 0.863 nan 8.190 nan 0.000 0.467 352 F N 1.224 121.306 119.950 0.221 0.000 2.719 352 F HA 0.687 5.214 4.527 -0.000 0.000 0.309 352 F C -1.127 174.914 175.800 0.401 0.000 1.138 352 F CA -1.055 57.115 58.000 0.284 0.000 0.943 352 F CB 1.426 40.633 39.000 0.345 0.000 1.304 352 F HN 0.354 nan 8.300 nan 0.000 0.445 353 D N 1.513 122.202 120.400 0.482 0.000 2.299 353 D HA 0.472 5.111 4.640 -0.000 0.000 0.243 353 D C -1.369 175.230 176.300 0.499 0.000 0.982 353 D CA -0.354 53.847 54.000 0.336 0.000 0.924 353 D CB 2.832 43.725 40.800 0.155 0.000 1.238 353 D HN 0.660 nan 8.370 nan 0.000 0.484 354 L N 2.444 123.887 121.223 0.367 0.000 2.502 354 L HA 0.215 4.555 4.340 -0.000 0.000 0.247 354 L C -0.739 176.189 176.870 0.096 0.000 1.180 354 L CA -0.608 54.365 54.840 0.221 0.000 0.956 354 L CB 0.600 42.825 42.059 0.276 0.000 1.282 354 L HN 0.155 nan 8.230 nan 0.000 0.470 355 V N -0.043 119.923 119.914 0.088 0.000 2.743 355 V HA 0.648 4.768 4.120 -0.000 0.000 0.301 355 V C -0.172 175.947 176.094 0.042 0.000 1.057 355 V CA -0.660 61.672 62.300 0.054 0.000 1.006 355 V CB 1.301 33.160 31.823 0.061 0.000 1.024 355 V HN 0.682 nan 8.190 nan 0.000 0.473 356 D N 1.892 122.310 120.400 0.030 0.000 2.304 356 D HA 0.643 5.283 4.640 -0.000 0.000 0.247 356 D C -0.120 176.203 176.300 0.039 0.000 1.089 356 D CA 0.124 54.142 54.000 0.029 0.000 0.910 356 D CB 1.329 42.140 40.800 0.019 0.000 1.199 356 D HN 1.562 nan 8.370 nan 0.000 0.426 357 A N 2.097 124.944 122.820 0.045 0.000 2.319 357 A HA 0.264 4.583 4.320 -0.000 0.000 0.298 357 A C -1.292 176.328 177.584 0.060 0.000 1.003 357 A CA -0.992 51.076 52.037 0.051 0.000 0.901 357 A CB 0.410 19.446 19.000 0.059 0.000 1.042 357 A HN 0.681 nan 8.150 nan 0.000 0.352 358 D N 2.745 123.176 120.400 0.052 0.000 2.455 358 D HA 0.326 4.966 4.640 -0.000 0.000 0.234 358 D C -0.214 176.130 176.300 0.074 0.000 1.224 358 D CA -0.015 54.018 54.000 0.056 0.000 0.999 358 D CB 0.903 41.727 40.800 0.040 0.000 1.072 358 D HN 0.393 nan 8.370 nan 0.000 0.514 359 L N 2.145 123.430 121.223 0.103 0.000 2.317 359 L HA 0.262 4.602 4.340 -0.000 0.000 0.281 359 L C -0.145 176.830 176.870 0.175 0.000 1.024 359 L CA -0.629 54.296 54.840 0.143 0.000 0.810 359 L CB 1.611 43.780 42.059 0.183 0.000 1.240 359 L HN 0.209 nan 8.230 nan 0.000 0.427 360 E N 4.639 124.958 120.200 0.199 0.000 2.152 360 E HA 0.556 4.906 4.350 -0.000 0.000 0.285 360 E C -1.181 175.629 176.600 0.350 0.000 1.043 360 E CA -0.516 56.012 56.400 0.213 0.000 0.839 360 E CB 1.266 31.076 29.700 0.183 0.000 1.069 360 E HN 0.668 nan 8.360 nan 0.000 0.399 361 A N 3.360 126.337 122.820 0.262 0.000 2.374 361 A HA 0.652 4.972 4.320 -0.000 0.000 0.317 361 A C -0.541 177.154 177.584 0.186 0.000 1.094 361 A CA -0.750 51.390 52.037 0.172 0.000 0.765 361 A CB 1.601 20.667 19.000 0.109 0.000 1.268 361 A HN 0.557 nan 8.150 nan 0.000 0.438 362 T N 2.279 116.844 114.554 0.019 0.000 2.792 362 T HA 0.480 4.830 4.350 -0.000 0.000 0.280 362 T C -0.330 174.352 174.700 -0.031 0.000 0.990 362 T CA -0.483 61.676 62.100 0.098 0.000 0.960 362 T CB 1.098 70.032 68.868 0.109 0.000 0.939 362 T HN 0.844 nan 8.240 nan 0.000 0.439 363 D N 1.464 121.947 120.400 0.138 0.000 2.398 363 D HA 0.098 4.738 4.640 -0.000 0.000 0.264 363 D C 1.436 177.735 176.300 -0.002 0.000 1.263 363 D CA -0.525 53.484 54.000 0.015 0.000 1.037 363 D CB 0.177 40.792 40.800 -0.308 0.000 1.101 363 D HN 0.381 nan 8.370 nan 0.000 0.551 364 S N -1.457 114.203 115.700 -0.066 0.000 2.561 364 S HA -0.053 4.417 4.470 -0.000 0.000 0.225 364 S C 0.749 175.327 174.600 -0.037 0.000 0.977 364 S CA -0.048 58.113 58.200 -0.066 0.000 0.926 364 S CB -0.453 62.659 63.200 -0.146 0.000 0.769 364 S HN 0.446 nan 8.310 nan 0.000 0.533 365 N N 0.961 119.635 118.700 -0.043 0.000 2.251 365 N HA 0.258 4.997 4.740 -0.000 0.000 0.217 365 N C 1.271 176.811 175.510 0.051 0.000 1.124 365 N CA 0.633 53.678 53.050 -0.008 0.000 0.843 365 N CB 0.613 39.074 38.487 -0.043 0.000 1.024 365 N HN 0.606 nan 8.380 nan 0.000 0.501 366 G N 0.773 109.630 108.800 0.095 0.000 2.304 366 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.252 366 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.252 366 G C 0.091 175.090 174.900 0.164 0.000 1.014 366 G CA 0.319 45.514 45.100 0.158 0.000 0.619 366 G HN 0.472 nan 8.290 nan 0.000 0.525 367 D N 1.185 121.672 120.400 0.145 0.000 2.520 367 D HA 0.262 4.902 4.640 -0.000 0.000 0.243 367 D C 0.396 176.853 176.300 0.261 0.000 1.160 367 D CA 0.493 54.599 54.000 0.178 0.000 0.877 367 D CB 0.852 41.767 40.800 0.191 0.000 1.150 367 D HN 0.215 nan 8.370 nan 0.000 0.494 368 V N 3.428 123.441 119.914 0.165 0.000 2.427 368 V HA 0.310 4.430 4.120 -0.000 0.000 0.286 368 V C 0.414 176.489 176.094 -0.030 0.000 1.034 368 V CA -0.551 61.832 62.300 0.140 0.000 0.893 368 V CB 1.504 33.407 31.823 0.134 0.000 0.982 368 V HN 0.561 nan 8.190 nan 0.000 0.452 369 S N 4.754 120.350 115.700 -0.175 0.000 2.542 369 S HA 0.632 5.102 4.470 -0.000 0.000 0.293 369 S C -0.587 173.911 174.600 -0.170 0.000 1.089 369 S CA -0.851 57.108 58.200 -0.402 0.000 0.961 369 S CB 1.473 63.938 63.200 -1.224 0.000 1.062 369 S HN 0.776 nan 8.310 nan 0.000 0.483 370 R N 3.942 124.377 120.500 -0.109 0.000 2.265 370 R HA 0.511 4.850 4.340 -0.000 0.000 0.319 370 R C -1.080 175.216 176.300 -0.007 0.000 1.006 370 R CA -0.523 55.569 56.100 -0.013 0.000 0.880 370 R CB 0.423 30.725 30.300 0.003 0.000 1.077 370 R HN 0.661 nan 8.270 nan 0.000 0.454 371 L N 5.265 126.520 121.223 0.053 0.000 2.265 371 L HA 0.253 4.593 4.340 -0.000 0.000 0.288 371 L C 1.402 178.314 176.870 0.070 0.000 1.058 371 L CA -0.418 54.467 54.840 0.076 0.000 0.809 371 L CB 1.450 43.592 42.059 0.138 0.000 1.179 371 L HN 0.564 nan 8.230 nan 0.000 0.429 372 K N 3.231 123.664 120.400 0.054 0.000 2.305 372 K HA 0.162 4.482 4.320 -0.000 0.000 0.199 372 K C 0.271 176.900 176.600 0.048 0.000 1.047 372 K CA 0.736 57.050 56.287 0.045 0.000 0.976 372 K CB 0.379 32.898 32.500 0.032 0.000 0.765 372 K HN 0.590 nan 8.250 nan 0.000 0.474 373 R N 0.251 120.785 120.500 0.056 0.000 2.725 373 R HA 0.479 4.819 4.340 -0.000 0.000 0.277 373 R C -0.984 175.347 176.300 0.051 0.000 0.987 373 R CA -0.748 55.373 56.100 0.036 0.000 0.901 373 R CB 1.738 32.041 30.300 0.005 0.000 1.207 373 R HN -0.007 nan 8.270 nan 0.000 0.463 374 L N -1.338 119.907 121.223 0.037 0.000 2.472 374 L HA 0.626 4.966 4.340 -0.000 0.000 0.260 374 L C -1.026 175.903 176.870 0.098 0.000 0.963 374 L CA -1.099 53.806 54.840 0.107 0.000 0.829 374 L CB 1.386 43.564 42.059 0.197 0.000 1.348 374 L HN 0.316 nan 8.230 nan 0.000 0.408 375 F N 0.733 120.833 119.950 0.250 0.000 2.504 375 F HA 0.376 4.903 4.527 -0.000 0.000 0.369 375 F C 0.630 176.643 175.800 0.354 0.000 1.082 375 F CA 0.230 58.441 58.000 0.351 0.000 1.216 375 F CB 0.727 39.840 39.000 0.188 0.000 1.108 375 F HN 0.561 nan 8.300 nan 0.000 0.554 376 E N 5.545 126.071 120.200 0.542 0.000 2.183 376 E HA 0.373 4.723 4.350 -0.000 0.000 0.250 376 E C -2.596 174.239 176.600 0.392 0.000 0.901 376 E CA -2.664 53.968 56.400 0.385 0.000 0.741 376 E CB 0.882 30.738 29.700 0.260 0.000 1.182 376 E HN 0.141 nan 8.360 nan 0.000 0.425 377 P HA 0.033 nan 4.420 nan 0.000 0.266 377 P C 0.106 177.463 177.300 0.095 0.000 1.195 377 P CA 0.009 63.211 63.100 0.170 0.000 0.768 377 P CB 0.894 32.647 31.700 0.089 0.000 0.838 378 R N 1.668 122.199 120.500 0.052 0.000 2.437 378 R HA 0.265 4.605 4.340 -0.000 0.000 0.184 378 R C -0.084 175.983 176.300 -0.388 0.000 0.850 378 R CA 0.828 56.873 56.100 -0.091 0.000 1.073 378 R CB 0.173 30.539 30.300 0.109 0.000 1.336 378 R HN 0.476 nan 8.270 nan 0.000 0.640 379 Y N -0.642 119.672 120.300 0.024 0.000 2.562 379 Y HA 0.657 5.207 4.550 -0.000 0.000 0.345 379 Y C -0.819 175.074 175.900 -0.011 0.000 1.045 379 Y CA -1.245 56.863 58.100 0.014 0.000 1.028 379 Y CB 2.352 40.830 38.460 0.029 0.000 1.297 379 Y HN 0.057 nan 8.280 nan 0.000 0.463 380 A N 1.980 124.898 122.820 0.164 0.000 2.409 380 A HA 0.693 5.013 4.320 -0.000 0.000 0.300 380 A C -1.686 175.975 177.584 0.128 0.000 1.273 380 A CA -0.601 51.484 52.037 0.079 0.000 0.774 380 A CB 0.121 19.131 19.000 0.016 0.000 1.144 380 A HN 0.454 nan 8.150 nan 0.000 0.472 381 V N 3.721 123.736 119.914 0.168 0.000 2.364 381 V HA 0.415 4.534 4.120 -0.000 0.000 0.272 381 V C -0.148 175.986 176.094 0.067 0.000 1.036 381 V CA -0.025 62.377 62.300 0.171 0.000 0.880 381 V CB 0.789 32.808 31.823 0.326 0.000 0.991 381 V HN 0.716 nan 8.190 nan 0.000 0.460 382 I N 5.020 125.610 120.570 0.033 0.000 2.495 382 I HA 0.631 4.801 4.170 -0.000 0.000 0.277 382 I C 0.932 177.044 176.117 -0.008 0.000 1.045 382 I CA 0.133 61.423 61.300 -0.017 0.000 1.135 382 I CB 1.149 39.143 38.000 -0.009 0.000 1.241 382 I HN 0.891 nan 8.210 nan 0.000 0.469 383 G N 4.961 113.744 108.800 -0.028 0.000 2.514 383 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.265 383 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.265 383 G C 0.408 175.323 174.900 0.025 0.000 1.150 383 G CA 0.139 45.235 45.100 -0.007 0.000 0.959 383 G HN 0.895 nan 8.290 nan 0.000 0.556 384 A N 0.622 123.456 122.820 0.024 0.000 2.833 384 A HA 0.633 4.953 4.320 -0.000 0.000 0.293 384 A C 0.430 178.033 177.584 0.032 0.000 1.338 384 A CA 1.297 53.353 52.037 0.032 0.000 0.959 384 A CB -0.229 18.785 19.000 0.022 0.000 1.094 384 A HN 0.791 nan 8.150 nan 0.000 0.569 385 E N 0.618 120.842 120.200 0.040 0.000 2.283 385 E HA 0.576 4.926 4.350 -0.000 0.000 0.258 385 E C -0.841 175.800 176.600 0.067 0.000 0.893 385 E CA -0.519 55.907 56.400 0.044 0.000 0.798 385 E CB 1.343 31.062 29.700 0.032 0.000 1.242 385 E HN 0.337 nan 8.360 nan 0.000 0.414 386 A N 5.451 128.319 122.820 0.081 0.000 2.290 386 A HA 0.620 4.939 4.320 -0.000 0.000 0.310 386 A C -0.576 177.106 177.584 0.163 0.000 1.202 386 A CA -0.490 51.625 52.037 0.129 0.000 0.837 386 A CB 0.348 19.403 19.000 0.092 0.000 1.139 386 A HN 0.669 nan 8.150 nan 0.000 0.509 387 I N 2.156 122.836 120.570 0.182 0.000 2.436 387 I HA 0.435 4.605 4.170 -0.000 0.000 0.289 387 I C 0.679 176.849 176.117 0.088 0.000 1.010 387 I CA -0.470 60.901 61.300 0.118 0.000 1.098 387 I CB 1.989 40.026 38.000 0.061 0.000 1.266 387 I HN 0.730 nan 8.210 nan 0.000 0.434 388 A N 5.151 127.970 122.820 -0.002 0.000 2.524 388 A HA 0.628 4.948 4.320 -0.000 0.000 0.250 388 A C 0.280 177.763 177.584 -0.169 0.000 1.078 388 A CA 0.073 51.971 52.037 -0.233 0.000 0.761 388 A CB 0.049 18.942 19.000 -0.178 0.000 1.012 388 A HN 0.819 nan 8.150 nan 0.000 0.500 389 A N 2.406 125.088 122.820 -0.230 0.000 2.288 389 A HA 0.936 5.256 4.320 -0.000 0.000 0.328 389 A C 0.156 177.688 177.584 -0.087 0.000 1.123 389 A CA 0.094 52.066 52.037 -0.108 0.000 0.861 389 A CB 1.028 19.978 19.000 -0.083 0.000 1.272 389 A HN 2.368 nan 8.150 nan 0.000 0.490 390 S N -0.359 115.335 115.700 -0.011 0.000 2.579 390 S HA 0.478 4.948 4.470 -0.000 0.000 0.290 390 S C -0.563 174.083 174.600 0.078 0.000 1.123 390 S CA -0.914 57.298 58.200 0.020 0.000 0.894 390 S CB 0.600 63.794 63.200 -0.010 0.000 1.095 390 S HN 1.292 nan 8.310 nan 0.000 0.450 391 R N 1.363 121.932 120.500 0.115 0.000 2.738 391 R HA 0.428 4.767 4.340 -0.000 0.000 0.275 391 R C -0.108 176.288 176.300 0.161 0.000 1.121 391 R CA -0.619 55.585 56.100 0.174 0.000 1.207 391 R CB 0.065 30.494 30.300 0.216 0.000 1.141 391 R HN 0.694 nan 8.270 nan 0.000 0.571 392 Y N 0.000 120.347 120.300 0.078 0.000 2.660 392 Y HA 0.000 4.550 4.550 -0.000 0.000 0.201 392 Y CA 0.000 58.118 58.100 0.031 0.000 1.940 392 Y CB 0.000 38.523 38.460 0.106 0.000 1.050 392 Y HN 0.000 nan 8.280 nan 0.000 0.758