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 1w32_1_B DATA FIRST_RESID 1 DATA SEQUENCE GLASLADFPI GVAVAASGGN ADIFTSSARQ NIVRAEFNQI TAENIMKMSY DATA SEQUENCE MYSGSNFSFT NSDRLVSWAA QNGQTVHGHA LVWHPSYQLP NWASDSNANF DATA SEQUENCE RQDFARHIDT VAAHFAGQVK SWDVVNEALF DSADDPDGRG SANGYRQSVF DATA SEQUENCE YRQFGGPEYI DEAFRRARAA DPTAELYYND FNTEENGAKT TALVNLVQRL DATA SEQUENCE LNNGVPIDGV GFQMHVMNDY PSIANIRQAM QKIVALSPTL KIKITELDVR DATA SEQUENCE LNNPYDGNSS NNYTNRNDcA VScAGLDRQK ARYKEIVQAY LEVVPPGRRG DATA SEQUENCE GITVWGIADP DSWLYTHQNL PDWPLLFNDN LQPKPAYQGV VEALSG VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 G HA2 0.000 nan 3.960 nan 0.000 0.244 1 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 1 G C 0.000 174.851 174.900 -0.081 0.000 0.946 1 G CA 0.000 45.095 45.100 -0.009 0.000 0.502 2 L N 0.534 121.662 121.223 -0.158 0.000 2.012 2 L HA -0.077 4.263 4.340 -0.000 0.000 0.210 2 L C 3.358 180.103 176.870 -0.209 0.000 1.073 2 L CA 2.107 56.802 54.840 -0.241 0.000 0.748 2 L CB -0.646 41.201 42.059 -0.353 0.000 0.891 2 L HN 0.684 nan 8.230 nan 0.000 0.431 3 A N 0.326 123.026 122.820 -0.199 0.000 1.978 3 A HA -0.244 4.076 4.320 -0.000 0.000 0.220 3 A C 2.521 180.017 177.584 -0.147 0.000 1.170 3 A CA 2.014 53.959 52.037 -0.153 0.000 0.636 3 A CB -0.735 18.210 19.000 -0.092 0.000 0.810 3 A HN 0.564 nan 8.150 nan 0.000 0.448 4 S N -0.212 115.417 115.700 -0.118 0.000 2.442 4 S HA -0.054 4.416 4.470 -0.000 0.000 0.236 4 S C 1.534 176.069 174.600 -0.109 0.000 1.007 4 S CA 1.414 59.557 58.200 -0.095 0.000 0.965 4 S CB -0.572 62.588 63.200 -0.067 0.000 0.773 4 S HN 0.481 nan 8.310 nan 0.000 0.504 5 L N 0.768 121.908 121.223 -0.139 0.000 2.591 5 L HA 0.459 4.799 4.340 -0.000 0.000 0.228 5 L C 0.964 177.724 176.870 -0.183 0.000 1.133 5 L CA 0.125 54.885 54.840 -0.134 0.000 0.880 5 L CB -0.310 41.670 42.059 -0.131 0.000 1.033 5 L HN 0.450 nan 8.230 nan 0.000 0.450 6 A N -0.111 122.541 122.820 -0.280 0.000 2.515 6 A HA 0.524 4.844 4.320 -0.000 0.000 0.296 6 A C -0.908 176.453 177.584 -0.372 0.000 1.094 6 A CA -0.528 51.214 52.037 -0.492 0.000 0.718 6 A CB 1.066 19.423 19.000 -1.072 0.000 1.307 6 A HN 0.166 nan 8.150 nan 0.000 0.408 7 D N -0.580 119.643 120.400 -0.296 0.000 2.643 7 D HA 0.386 5.026 4.640 -0.000 0.000 0.244 7 D C -0.425 175.916 176.300 0.068 0.000 1.257 7 D CA -0.063 53.895 54.000 -0.071 0.000 0.831 7 D CB -0.581 40.239 40.800 0.033 0.000 1.043 7 D HN 0.348 nan 8.370 nan 0.000 0.488 8 F N -3.116 116.868 119.950 0.056 0.000 2.643 8 F HA 0.752 5.278 4.527 -0.000 0.000 0.314 8 F C -3.056 172.777 175.800 0.055 0.000 1.096 8 F CA -3.210 54.833 58.000 0.071 0.000 0.953 8 F CB 0.251 39.319 39.000 0.113 0.000 1.345 8 F HN -0.409 nan 8.300 nan 0.000 0.468 9 P HA 0.154 nan 4.420 nan 0.000 0.265 9 P C -0.698 176.699 177.300 0.161 0.000 1.193 9 P CA 0.156 63.346 63.100 0.150 0.000 0.765 9 P CB 0.434 32.210 31.700 0.127 0.000 0.823 10 I N 3.104 123.730 120.570 0.093 0.000 2.420 10 I HA 0.433 4.603 4.170 -0.000 0.000 0.282 10 I C 0.788 177.092 176.117 0.311 0.000 1.019 10 I CA -0.036 61.355 61.300 0.152 0.000 1.130 10 I CB 0.944 38.965 38.000 0.035 0.000 1.262 10 I HN 0.387 nan 8.210 nan 0.000 0.454 11 G N 4.450 113.400 108.800 0.250 0.000 2.685 11 G HA2 0.715 4.675 3.960 -0.000 0.000 0.298 11 G HA3 0.715 4.675 3.960 -0.000 0.000 0.298 11 G C -1.552 173.208 174.900 -0.233 0.000 1.277 11 G CA -0.653 44.498 45.100 0.084 0.000 0.986 11 G HN 0.324 nan 8.290 nan 0.000 0.487 12 V N -0.643 118.964 119.914 -0.512 0.000 2.932 12 V HA 0.740 4.860 4.120 -0.000 0.000 0.307 12 V C -0.172 175.622 176.094 -0.500 0.000 1.147 12 V CA -0.454 61.426 62.300 -0.700 0.000 0.951 12 V CB 1.795 32.778 31.823 -1.400 0.000 1.031 12 V HN 1.451 nan 8.190 nan 0.000 0.426 13 A N 5.255 127.737 122.820 -0.564 0.000 2.409 13 A HA 0.674 4.994 4.320 -0.000 0.000 0.262 13 A C -0.228 176.972 177.584 -0.639 0.000 1.113 13 A CA 0.236 51.795 52.037 -0.796 0.000 0.790 13 A CB 0.551 18.541 19.000 -1.683 0.000 1.046 13 A HN 1.839 nan 8.150 nan 0.000 0.496 14 V N 0.303 119.898 119.914 -0.531 0.000 2.628 14 V HA 0.880 5.000 4.120 -0.000 0.000 0.306 14 V C 0.271 176.106 176.094 -0.431 0.000 1.045 14 V CA -0.490 61.529 62.300 -0.467 0.000 0.905 14 V CB 1.089 32.631 31.823 -0.468 0.000 0.997 14 V HN 1.442 nan 8.190 nan 0.000 0.436 15 A N 3.251 125.835 122.820 -0.394 0.000 2.327 15 A HA 0.882 5.202 4.320 -0.000 0.000 0.283 15 A C 0.617 177.990 177.584 -0.353 0.000 1.127 15 A CA -0.069 51.780 52.037 -0.314 0.000 0.810 15 A CB 1.217 20.070 19.000 -0.245 0.000 1.066 15 A HN 2.386 nan 8.150 nan 0.000 0.492 16 A N 1.405 124.080 122.820 -0.241 0.000 2.676 16 A HA 0.546 4.865 4.320 -0.000 0.000 0.258 16 A C 0.288 177.862 177.584 -0.018 0.000 0.898 16 A CA 0.161 52.094 52.037 -0.173 0.000 1.087 16 A CB -0.120 18.799 19.000 -0.135 0.000 1.214 16 A HN 0.820 nan 8.150 nan 0.000 0.474 17 S N -0.011 115.668 115.700 -0.035 0.000 3.021 17 S HA 0.530 5.000 4.470 -0.000 0.000 0.252 17 S C 0.645 175.252 174.600 0.012 0.000 0.996 17 S CA 0.278 58.488 58.200 0.017 0.000 1.084 17 S CB 0.347 63.562 63.200 0.024 0.000 1.021 17 S HN 2.093 nan 8.310 nan 0.000 0.566 18 G N 0.895 109.695 108.800 0.000 0.000 2.728 18 G HA2 0.372 4.332 3.960 -0.000 0.000 0.294 18 G HA3 0.372 4.332 3.960 -0.000 0.000 0.294 18 G C 0.248 175.132 174.900 -0.026 0.000 1.342 18 G CA -0.525 44.575 45.100 -0.001 0.000 0.866 18 G HN 1.537 nan 8.290 nan 0.000 0.534 19 G N -1.209 107.579 108.800 -0.021 0.000 2.750 19 G HA2 -0.008 3.952 3.960 -0.000 0.000 0.228 19 G HA3 -0.008 3.952 3.960 -0.000 0.000 0.228 19 G C 0.691 175.561 174.900 -0.051 0.000 1.367 19 G CA 0.728 45.808 45.100 -0.032 0.000 0.871 19 G HN 1.749 nan 8.290 nan 0.000 0.560 20 N N 0.109 118.773 118.700 -0.060 0.000 2.381 20 N HA 0.078 4.818 4.740 -0.000 0.000 0.182 20 N C 2.331 177.781 175.510 -0.099 0.000 1.025 20 N CA 1.718 54.725 53.050 -0.071 0.000 0.888 20 N CB -0.304 38.140 38.487 -0.072 0.000 0.965 20 N HN 1.025 nan 8.380 nan 0.000 0.438 21 A N 0.000 122.750 122.820 -0.118 0.000 2.218 21 A HA -0.031 4.289 4.320 -0.000 0.000 0.209 21 A C 0.742 178.207 177.584 -0.198 0.000 1.168 21 A CA -0.192 51.751 52.037 -0.156 0.000 0.804 21 A CB -0.099 18.803 19.000 -0.163 0.000 0.834 21 A HN 0.117 nan 8.150 nan 0.000 0.482 22 D N 0.344 120.641 120.400 -0.172 0.000 2.472 22 D HA -0.018 4.622 4.640 -0.000 0.000 0.248 22 D C 0.897 177.013 176.300 -0.306 0.000 1.174 22 D CA 0.006 53.874 54.000 -0.221 0.000 0.883 22 D CB 0.493 41.227 40.800 -0.111 0.000 1.149 22 D HN 0.176 nan 8.370 nan 0.000 0.488 23 I N 4.802 125.043 120.570 -0.549 0.000 2.394 23 I HA -0.186 3.984 4.170 -0.000 0.000 0.251 23 I C 1.387 177.169 176.117 -0.558 0.000 1.136 23 I CA 1.106 62.011 61.300 -0.659 0.000 1.425 23 I CB -0.177 37.218 38.000 -1.007 0.000 1.079 23 I HN 0.379 nan 8.210 nan 0.000 0.425 24 F N 0.138 119.904 119.950 -0.306 0.000 2.325 24 F HA -0.069 4.458 4.527 -0.000 0.000 0.299 24 F C 2.629 178.377 175.800 -0.086 0.000 1.090 24 F CA 1.399 59.283 58.000 -0.192 0.000 1.392 24 F CB -1.640 37.267 39.000 -0.155 0.000 1.053 24 F HN 0.213 nan 8.300 nan 0.000 0.521 25 T N -4.532 110.056 114.554 0.056 0.000 3.037 25 T HA 0.081 4.431 4.350 -0.000 0.000 0.252 25 T C 0.999 175.696 174.700 -0.004 0.000 1.073 25 T CA 0.351 62.471 62.100 0.035 0.000 1.091 25 T CB -0.251 68.630 68.868 0.022 0.000 0.935 25 T HN 0.047 nan 8.240 nan 0.000 0.488 26 S N 1.363 117.034 115.700 -0.048 0.000 2.434 26 S HA 0.442 4.912 4.470 -0.000 0.000 0.318 26 S C 1.335 175.912 174.600 -0.038 0.000 1.062 26 S CA -0.250 57.917 58.200 -0.055 0.000 1.116 26 S CB 0.757 63.900 63.200 -0.094 0.000 0.977 26 S HN 0.394 nan 8.310 nan 0.000 0.480 27 S N 4.870 120.564 115.700 -0.011 0.000 2.365 27 S HA -0.152 4.318 4.470 -0.000 0.000 0.225 27 S C 2.118 176.708 174.600 -0.017 0.000 1.039 27 S CA 1.775 59.978 58.200 0.005 0.000 1.033 27 S CB -0.583 62.622 63.200 0.007 0.000 0.887 27 S HN 0.951 nan 8.310 nan 0.000 0.447 28 A N 1.414 124.210 122.820 -0.040 0.000 1.933 28 A HA -0.042 4.278 4.320 -0.000 0.000 0.218 28 A C 2.276 179.798 177.584 -0.103 0.000 1.175 28 A CA 1.407 53.405 52.037 -0.065 0.000 0.628 28 A CB -0.578 18.382 19.000 -0.066 0.000 0.814 28 A HN 0.643 nan 8.150 nan 0.000 0.444 29 R N -0.703 119.731 120.500 -0.110 0.000 2.075 29 R HA -0.118 4.222 4.340 -0.000 0.000 0.232 29 R C 2.473 178.723 176.300 -0.084 0.000 1.126 29 R CA 1.551 57.566 56.100 -0.142 0.000 0.963 29 R CB -0.340 29.858 30.300 -0.170 0.000 0.858 29 R HN 0.678 nan 8.270 nan 0.000 0.435 30 Q N 0.261 120.046 119.800 -0.025 0.000 2.096 30 Q HA -0.156 4.184 4.340 -0.000 0.000 0.204 30 Q C 1.721 177.770 176.000 0.081 0.000 0.982 30 Q CA 1.398 57.261 55.803 0.100 0.000 0.850 30 Q CB -0.097 28.739 28.738 0.163 0.000 0.901 30 Q HN 0.316 nan 8.270 nan 0.000 0.422 31 N N 0.462 119.171 118.700 0.015 0.000 2.216 31 N HA -0.068 4.671 4.740 -0.000 0.000 0.183 31 N C 1.761 177.251 175.510 -0.033 0.000 1.017 31 N CA 0.919 53.966 53.050 -0.004 0.000 0.861 31 N CB -0.115 38.359 38.487 -0.023 0.000 0.986 31 N HN 0.237 nan 8.380 nan 0.000 0.428 32 I N 0.413 120.923 120.570 -0.100 0.000 2.179 32 I HA -0.225 3.945 4.170 -0.000 0.000 0.242 32 I C 2.024 178.152 176.117 0.019 0.000 1.088 32 I CA 0.774 61.970 61.300 -0.172 0.000 1.357 32 I CB -0.186 37.511 38.000 -0.506 0.000 1.051 32 I HN -0.090 nan 8.210 nan 0.000 0.409 33 V N 0.808 120.788 119.914 0.112 0.000 2.261 33 V HA -0.306 3.814 4.120 -0.000 0.000 0.246 33 V C 2.618 178.846 176.094 0.222 0.000 1.047 33 V CA 2.144 64.624 62.300 0.300 0.000 1.015 33 V CB -0.796 31.157 31.823 0.217 0.000 0.642 33 V HN 0.434 nan 8.190 nan 0.000 0.446 34 R N 0.208 120.786 120.500 0.130 0.000 2.096 34 R HA -0.131 4.209 4.340 -0.000 0.000 0.235 34 R C 2.198 178.516 176.300 0.031 0.000 1.127 34 R CA 1.607 57.745 56.100 0.064 0.000 0.968 34 R CB -0.367 29.950 30.300 0.027 0.000 0.861 34 R HN 0.490 nan 8.270 nan 0.000 0.440 35 A N 0.561 123.392 122.820 0.018 0.000 1.968 35 A HA -0.076 4.244 4.320 -0.000 0.000 0.217 35 A C 1.587 179.144 177.584 -0.044 0.000 1.169 35 A CA 1.173 53.203 52.037 -0.012 0.000 0.638 35 A CB 0.003 18.993 19.000 -0.017 0.000 0.812 35 A HN 0.359 nan 8.150 nan 0.000 0.446 36 E N -2.027 118.119 120.200 -0.091 0.000 2.399 36 E HA 0.245 4.595 4.350 -0.000 0.000 0.205 36 E C -0.645 175.623 176.600 -0.554 0.000 0.906 36 E CA 0.119 56.318 56.400 -0.336 0.000 0.998 36 E CB 0.262 29.656 29.700 -0.509 0.000 1.002 36 E HN 0.521 nan 8.360 nan 0.000 0.501 37 F N 1.684 121.655 119.950 0.035 0.000 2.575 37 F HA 0.279 4.806 4.527 0.000 0.000 0.330 37 F C 0.988 176.789 175.800 0.003 0.000 1.056 37 F CA -0.987 57.024 58.000 0.019 0.000 0.964 37 F CB 0.970 39.984 39.000 0.023 0.000 1.258 37 F HN -0.171 nan 8.300 nan 0.000 0.484 38 N N -0.081 118.734 118.700 0.192 0.000 2.232 38 N HA 0.144 4.884 4.740 -0.000 0.000 0.240 38 N C -0.931 174.632 175.510 0.088 0.000 1.307 38 N CA -0.277 52.832 53.050 0.098 0.000 0.859 38 N CB 0.658 39.168 38.487 0.038 0.000 1.260 38 N HN 0.728 nan 8.380 nan 0.000 0.501 39 Q N 0.600 120.467 119.800 0.112 0.000 2.391 39 Q HA 0.545 4.885 4.340 -0.000 0.000 0.279 39 Q C -1.653 174.356 176.000 0.015 0.000 1.028 39 Q CA -0.955 54.881 55.803 0.056 0.000 0.836 39 Q CB 2.266 31.029 28.738 0.040 0.000 1.414 39 Q HN 0.361 nan 8.270 nan 0.000 0.397 40 I N -1.096 119.468 120.570 -0.010 0.000 2.740 40 I HA 0.716 4.886 4.170 -0.000 0.000 0.303 40 I C -0.832 175.231 176.117 -0.089 0.000 1.044 40 I CA -0.666 60.584 61.300 -0.084 0.000 1.064 40 I CB 2.548 40.514 38.000 -0.056 0.000 1.249 40 I HN 0.378 nan 8.210 nan 0.000 0.433 41 T N 3.633 118.097 114.554 -0.149 0.000 2.823 41 T HA 0.652 5.002 4.350 -0.000 0.000 0.279 41 T C 0.059 174.629 174.700 -0.217 0.000 0.998 41 T CA -0.468 61.564 62.100 -0.114 0.000 0.994 41 T CB 1.578 70.440 68.868 -0.009 0.000 0.960 41 T HN 0.841 nan 8.240 nan 0.000 0.448 42 A N 1.911 124.639 122.820 -0.153 0.000 2.454 42 A HA 0.225 4.545 4.320 -0.000 0.000 0.260 42 A C 1.377 178.860 177.584 -0.169 0.000 1.106 42 A CA -0.320 51.614 52.037 -0.173 0.000 0.780 42 A CB -0.029 18.905 19.000 -0.110 0.000 1.044 42 A HN 1.062 nan 8.150 nan 0.000 0.498 43 E N 1.947 121.964 120.200 -0.304 0.000 2.106 43 E HA -0.168 4.182 4.350 -0.000 0.000 0.192 43 E C 0.851 177.479 176.600 0.048 0.000 0.984 43 E CA 1.600 57.829 56.400 -0.284 0.000 0.806 43 E CB 0.084 29.532 29.700 -0.420 0.000 0.750 43 E HN 0.809 nan 8.360 nan 0.000 0.458 44 N N -0.577 118.093 118.700 -0.051 0.000 2.324 44 N HA 0.036 4.776 4.740 -0.000 0.000 0.235 44 N C 1.585 176.834 175.510 -0.435 0.000 1.162 44 N CA 0.417 53.415 53.050 -0.088 0.000 0.834 44 N CB 0.487 38.924 38.487 -0.084 0.000 1.354 44 N HN 0.210 nan 8.380 nan 0.000 0.471 45 I N -1.540 118.781 120.570 -0.415 0.000 3.735 45 I HA 0.248 4.418 4.170 -0.000 0.000 0.310 45 I C 1.087 177.086 176.117 -0.197 0.000 1.270 45 I CA 0.561 61.514 61.300 -0.580 0.000 1.207 45 I CB -0.151 37.723 38.000 -0.210 0.000 1.013 45 I HN -0.122 nan 8.210 nan 0.000 0.452 46 M N 0.514 120.071 119.600 -0.072 0.000 2.346 46 M HA 0.297 4.777 4.480 -0.000 0.000 0.280 46 M C 0.347 176.758 176.300 0.185 0.000 1.075 46 M CA -0.090 55.279 55.300 0.115 0.000 0.989 46 M CB 0.355 32.985 32.600 0.049 0.000 1.447 46 M HN 0.088 nan 8.290 nan 0.000 0.511 47 K N 0.430 120.903 120.400 0.121 0.000 2.187 47 K HA 0.164 4.484 4.320 -0.000 0.000 0.247 47 K C 1.010 177.866 176.600 0.427 0.000 1.019 47 K CA 0.036 56.482 56.287 0.266 0.000 0.893 47 K CB 0.805 33.509 32.500 0.341 0.000 1.025 47 K HN 0.153 nan 8.250 nan 0.000 0.500 48 M N 0.643 120.446 119.600 0.338 0.000 2.084 48 M HA -0.219 4.261 4.480 -0.000 0.000 0.259 48 M C 2.273 178.818 176.300 0.408 0.000 1.072 48 M CA 2.217 57.722 55.300 0.342 0.000 1.107 48 M CB -0.518 32.109 32.600 0.046 0.000 1.299 48 M HN 0.763 nan 8.290 nan 0.000 0.413 49 S N -0.346 115.476 115.700 0.204 0.000 2.440 49 S HA -0.175 4.295 4.470 -0.000 0.000 0.238 49 S C 1.567 176.266 174.600 0.166 0.000 1.010 49 S CA 1.085 59.356 58.200 0.117 0.000 0.972 49 S CB -1.074 62.047 63.200 -0.131 0.000 0.774 49 S HN 0.455 nan 8.310 nan 0.000 0.501 50 Y N 1.167 121.587 120.300 0.199 0.000 2.574 50 Y HA 0.192 4.742 4.550 0.000 0.000 0.294 50 Y C 2.145 178.120 175.900 0.124 0.000 1.142 50 Y CA 0.484 58.683 58.100 0.164 0.000 1.314 50 Y CB -0.426 38.138 38.460 0.175 0.000 0.991 50 Y HN 0.266 nan 8.280 nan 0.000 0.555 51 M N -1.032 118.719 119.600 0.252 0.000 2.618 51 M HA 0.054 4.534 4.480 -0.000 0.000 0.240 51 M C -1.002 174.971 176.300 -0.545 0.000 1.123 51 M CA 0.542 55.769 55.300 -0.121 0.000 1.060 51 M CB -1.052 31.524 32.600 -0.040 0.000 1.535 51 M HN 0.074 nan 8.290 nan 0.000 0.507 52 Y N -1.328 118.924 120.300 -0.080 0.000 2.477 52 Y HA 0.444 4.994 4.550 -0.000 0.000 0.347 52 Y C 0.120 175.949 175.900 -0.118 0.000 0.981 52 Y CA -1.056 56.946 58.100 -0.164 0.000 1.033 52 Y CB 1.760 40.115 38.460 -0.175 0.000 1.245 52 Y HN -0.159 nan 8.280 nan 0.000 0.455 53 S N 2.116 117.835 115.700 0.032 0.000 2.669 53 S HA 0.631 5.101 4.470 -0.000 0.000 0.315 53 S C 0.334 174.943 174.600 0.016 0.000 1.106 53 S CA 0.268 58.476 58.200 0.014 0.000 1.107 53 S CB -0.172 63.028 63.200 -0.000 0.000 0.990 53 S HN 1.295 nan 8.310 nan 0.000 0.471 54 G N 3.830 112.631 108.800 0.001 0.000 2.550 54 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.277 54 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.277 54 G C 1.010 175.901 174.900 -0.015 0.000 1.190 54 G CA 0.413 45.504 45.100 -0.014 0.000 0.971 54 G HN 1.279 nan 8.290 nan 0.000 0.559 55 S N 0.516 116.208 115.700 -0.014 0.000 2.527 55 S HA 0.117 4.587 4.470 -0.000 0.000 0.222 55 S C 0.926 175.539 174.600 0.020 0.000 0.985 55 S CA 0.995 59.182 58.200 -0.022 0.000 0.921 55 S CB -0.470 62.720 63.200 -0.017 0.000 0.772 55 S HN 0.564 nan 8.310 nan 0.000 0.529 56 N N 0.892 119.613 118.700 0.035 0.000 2.508 56 N HA 0.322 5.062 4.740 -0.000 0.000 0.285 56 N C -0.745 174.742 175.510 -0.038 0.000 1.144 56 N CA -0.315 52.754 53.050 0.031 0.000 0.978 56 N CB 0.322 38.833 38.487 0.039 0.000 1.180 56 N HN 0.124 nan 8.380 nan 0.000 0.484 57 F N 0.342 120.244 119.950 -0.081 0.000 2.553 57 F HA 0.106 4.633 4.527 0.000 0.000 0.356 57 F C 1.375 176.897 175.800 -0.464 0.000 1.142 57 F CA 0.467 58.188 58.000 -0.466 0.000 1.322 57 F CB 0.520 39.206 39.000 -0.524 0.000 1.126 57 F HN 0.156 nan 8.300 nan 0.000 0.599 58 S N 3.361 118.757 115.700 -0.505 0.000 2.750 58 S HA 0.447 4.917 4.470 -0.000 0.000 0.276 58 S C -0.429 173.885 174.600 -0.477 0.000 1.165 58 S CA -0.578 57.414 58.200 -0.347 0.000 1.047 58 S CB -0.044 63.079 63.200 -0.129 0.000 1.056 58 S HN 0.431 nan 8.310 nan 0.000 0.481 59 F N 2.267 122.155 119.950 -0.103 0.000 2.653 59 F HA 0.215 4.742 4.527 0.000 0.000 0.304 59 F C 2.220 178.020 175.800 0.000 0.000 1.092 59 F CA -0.174 57.733 58.000 -0.155 0.000 1.279 59 F CB -0.122 38.478 39.000 -0.666 0.000 1.044 59 F HN 0.477 nan 8.300 nan 0.000 0.564 60 T N 0.222 114.862 114.554 0.144 0.000 2.597 60 T HA -0.286 4.064 4.350 -0.000 0.000 0.267 60 T C 1.823 176.619 174.700 0.159 0.000 1.053 60 T CA 2.287 64.467 62.100 0.134 0.000 1.165 60 T CB -0.430 68.489 68.868 0.084 0.000 0.863 60 T HN 0.399 nan 8.240 nan 0.000 0.427 61 N N 0.516 119.316 118.700 0.167 0.000 2.216 61 N HA -0.074 4.666 4.740 -0.000 0.000 0.183 61 N C 2.275 177.925 175.510 0.234 0.000 1.017 61 N CA 1.212 54.370 53.050 0.179 0.000 0.861 61 N CB -0.057 38.541 38.487 0.184 0.000 0.986 61 N HN 0.440 nan 8.380 nan 0.000 0.428 62 S N 0.787 116.671 115.700 0.307 0.000 2.387 62 S HA -0.077 4.393 4.470 -0.000 0.000 0.226 62 S C 1.317 176.185 174.600 0.447 0.000 1.026 62 S CA 0.949 59.385 58.200 0.393 0.000 0.972 62 S CB -0.175 63.367 63.200 0.570 0.000 0.814 62 S HN 0.126 nan 8.310 nan 0.000 0.477 63 D N 1.757 122.400 120.400 0.405 0.000 2.149 63 D HA -0.093 4.547 4.640 -0.000 0.000 0.198 63 D C 2.035 178.489 176.300 0.258 0.000 0.990 63 D CA 0.987 55.184 54.000 0.328 0.000 0.839 63 D CB -0.392 40.546 40.800 0.230 0.000 0.948 63 D HN 0.465 nan 8.370 nan 0.000 0.460 64 R N 0.085 120.716 120.500 0.219 0.000 2.091 64 R HA -0.150 4.190 4.340 -0.000 0.000 0.238 64 R C 2.177 178.651 176.300 0.289 0.000 1.136 64 R CA 0.929 57.139 56.100 0.182 0.000 0.959 64 R CB -0.349 30.008 30.300 0.095 0.000 0.856 64 R HN 0.155 nan 8.270 nan 0.000 0.437 65 L N 0.397 121.815 121.223 0.324 0.000 2.072 65 L HA -0.073 4.267 4.340 -0.000 0.000 0.205 65 L C 2.080 179.146 176.870 0.327 0.000 1.079 65 L CA 1.352 56.406 54.840 0.355 0.000 0.752 65 L CB -0.288 41.895 42.059 0.207 0.000 0.906 65 L HN -0.028 nan 8.230 nan 0.000 0.436 66 V N -1.068 119.011 119.914 0.274 0.000 2.407 66 V HA -0.258 3.862 4.120 -0.000 0.000 0.248 66 V C 2.758 178.978 176.094 0.211 0.000 1.055 66 V CA 1.801 64.238 62.300 0.228 0.000 1.049 66 V CB -0.681 31.332 31.823 0.316 0.000 0.662 66 V HN 0.628 nan 8.190 nan 0.000 0.455 67 S N -1.504 114.329 115.700 0.221 0.000 2.383 67 S HA -0.254 4.216 4.470 -0.000 0.000 0.227 67 S C 1.657 176.359 174.600 0.171 0.000 1.026 67 S CA 1.669 59.964 58.200 0.158 0.000 0.981 67 S CB -0.468 62.812 63.200 0.132 0.000 0.818 67 S HN 0.723 nan 8.310 nan 0.000 0.472 68 W N 2.164 123.534 121.300 0.117 0.000 2.335 68 W HA -0.147 4.513 4.660 0.000 0.000 0.311 68 W C 2.415 178.983 176.519 0.081 0.000 1.213 68 W CA 1.986 59.414 57.345 0.139 0.000 1.274 68 W CB -0.827 28.812 29.460 0.297 0.000 1.148 68 W HN 0.361 nan 8.180 nan 0.000 0.498 69 A N 0.758 123.777 122.820 0.331 0.000 1.865 69 A HA -0.158 4.162 4.320 -0.000 0.000 0.217 69 A C 2.088 179.623 177.584 -0.081 0.000 1.191 69 A CA 2.840 54.951 52.037 0.123 0.000 0.623 69 A CB -1.689 17.421 19.000 0.184 0.000 0.826 69 A HN 0.496 nan 8.150 nan 0.000 0.444 70 A N -1.070 121.735 122.820 -0.026 0.000 2.024 70 A HA -0.184 4.136 4.320 -0.000 0.000 0.220 70 A C 1.967 179.486 177.584 -0.108 0.000 1.164 70 A CA 1.652 53.661 52.037 -0.047 0.000 0.643 70 A CB -0.423 18.574 19.000 -0.006 0.000 0.806 70 A HN 0.706 nan 8.150 nan 0.000 0.451 71 Q N -1.054 118.637 119.800 -0.182 0.000 2.282 71 Q HA 0.160 4.500 4.340 -0.000 0.000 0.206 71 Q C 0.033 175.833 176.000 -0.333 0.000 0.878 71 Q CA -0.003 55.670 55.803 -0.217 0.000 0.944 71 Q CB 0.355 28.982 28.738 -0.186 0.000 1.100 71 Q HN 0.560 nan 8.270 nan 0.000 0.509 72 N N -0.305 118.114 118.700 -0.468 0.000 2.365 72 N HA 0.114 4.854 4.740 -0.000 0.000 0.257 72 N C 0.084 175.401 175.510 -0.322 0.000 1.287 72 N CA 0.529 53.241 53.050 -0.563 0.000 0.882 72 N CB 1.784 39.504 38.487 -1.279 0.000 1.250 72 N HN 0.297 nan 8.380 nan 0.000 0.507 73 G N 1.293 109.974 108.800 -0.198 0.000 2.143 73 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.248 73 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.248 73 G C -0.180 174.690 174.900 -0.050 0.000 0.991 73 G CA 0.079 45.119 45.100 -0.100 0.000 0.689 73 G HN 0.241 nan 8.290 nan 0.000 0.522 74 Q N 0.617 120.388 119.800 -0.048 0.000 2.365 74 Q HA 0.586 4.926 4.340 -0.000 0.000 0.269 74 Q C 0.687 176.694 176.000 0.012 0.000 1.061 74 Q CA 0.107 55.920 55.803 0.017 0.000 0.816 74 Q CB 1.838 30.622 28.738 0.076 0.000 1.325 74 Q HN 0.592 nan 8.270 nan 0.000 0.446 75 T N -2.095 112.472 114.554 0.020 0.000 2.754 75 T HA 0.557 4.907 4.350 -0.000 0.000 0.286 75 T C 0.267 174.967 174.700 -0.001 0.000 0.997 75 T CA -0.533 61.573 62.100 0.011 0.000 0.982 75 T CB 0.653 69.534 68.868 0.021 0.000 1.027 75 T HN 0.266 nan 8.240 nan 0.000 0.529 76 V N 1.415 121.304 119.914 -0.042 0.000 2.588 76 V HA 0.344 4.464 4.120 -0.000 0.000 0.304 76 V C -0.273 175.735 176.094 -0.142 0.000 1.042 76 V CA -0.942 61.299 62.300 -0.098 0.000 0.877 76 V CB 1.444 33.169 31.823 -0.164 0.000 0.996 76 V HN 1.004 nan 8.190 nan 0.000 0.425 77 H N 3.086 122.020 119.070 -0.228 0.000 2.552 77 H HA 0.488 5.044 4.556 -0.000 0.000 0.311 77 H C 0.210 175.313 175.328 -0.375 0.000 1.071 77 H CA -0.215 55.672 56.048 -0.268 0.000 1.307 77 H CB 1.721 31.382 29.762 -0.168 0.000 1.416 77 H HN 0.840 nan 8.280 nan 0.000 0.464 78 G N 3.830 111.996 108.800 -1.056 0.000 2.355 78 G HA2 0.082 4.042 3.960 -0.000 0.000 0.276 78 G HA3 0.082 4.042 3.960 -0.000 0.000 0.276 78 G C -0.808 173.846 174.900 -0.410 0.000 1.198 78 G CA -0.261 44.148 45.100 -1.151 0.000 0.876 78 G HN 0.827 nan 8.290 nan 0.000 0.478 79 H N 1.689 120.644 119.070 -0.192 0.000 2.991 79 H HA 0.597 5.153 4.556 -0.000 0.000 0.304 79 H C -0.884 174.500 175.328 0.093 0.000 1.040 79 H CA -0.344 55.689 56.048 -0.025 0.000 1.410 79 H CB 1.057 30.825 29.762 0.010 0.000 1.529 79 H HN 0.703 nan 8.280 nan 0.000 0.509 80 A N 4.921 127.705 122.820 -0.061 0.000 2.604 80 A HA 0.273 4.593 4.320 -0.000 0.000 0.295 80 A C 0.009 177.670 177.584 0.128 0.000 1.067 80 A CA -0.670 51.378 52.037 0.019 0.000 0.683 80 A CB 1.087 19.914 19.000 -0.287 0.000 1.281 80 A HN 0.659 nan 8.150 nan 0.000 0.407 81 L N 0.209 121.451 121.223 0.033 0.000 2.056 81 L HA 0.042 4.382 4.340 -0.000 0.000 0.207 81 L C 0.026 176.902 176.870 0.010 0.000 1.078 81 L CA 1.243 56.035 54.840 -0.080 0.000 0.749 81 L CB -0.203 41.618 42.059 -0.396 0.000 0.901 81 L HN 0.461 nan 8.230 nan 0.000 0.433 82 V N -1.623 118.265 119.914 -0.043 0.000 2.686 82 V HA 0.437 4.557 4.120 -0.000 0.000 0.306 82 V C -1.542 174.616 176.094 0.107 0.000 1.065 82 V CA -0.657 61.578 62.300 -0.109 0.000 0.894 82 V CB 2.428 34.113 31.823 -0.229 0.000 1.004 82 V HN 0.231 nan 8.190 nan 0.000 0.424 83 W N 4.393 125.644 121.300 -0.082 0.000 3.645 83 W HA 0.446 5.106 4.660 0.000 0.000 0.285 83 W C 0.482 177.124 176.519 0.206 0.000 1.266 83 W CA -1.096 56.276 57.345 0.044 0.000 1.212 83 W CB 1.208 30.604 29.460 -0.106 0.000 1.306 83 W HN 0.869 nan 8.180 nan 0.000 0.552 84 H N 1.189 120.311 119.070 0.088 0.000 2.470 84 H HA 0.362 4.918 4.556 -0.000 0.000 0.289 84 H C -1.753 173.355 175.328 -0.366 0.000 1.033 84 H CA 0.296 56.337 56.048 -0.010 0.000 1.331 84 H CB -1.532 28.269 29.762 0.064 0.000 1.414 84 H HN -0.042 nan 8.280 nan 0.000 0.545 85 P HA 0.024 nan 4.420 nan 0.000 0.264 85 P C 0.571 177.511 177.300 -0.600 0.000 1.193 85 P CA 0.527 63.156 63.100 -0.785 0.000 0.763 85 P CB 1.380 32.385 31.700 -1.159 0.000 0.810 86 S N 2.514 118.054 115.700 -0.267 0.000 2.383 86 S HA -0.218 4.252 4.470 -0.000 0.000 0.229 86 S C 1.617 176.092 174.600 -0.208 0.000 1.030 86 S CA 1.622 59.704 58.200 -0.197 0.000 1.002 86 S CB -1.125 62.029 63.200 -0.076 0.000 0.829 86 S HN 0.673 nan 8.310 nan 0.000 0.467 87 Y N 2.595 122.808 120.300 -0.145 0.000 2.224 87 Y HA -0.135 4.415 4.550 -0.000 0.000 0.289 87 Y C 1.879 177.717 175.900 -0.104 0.000 1.146 87 Y CA 1.317 59.353 58.100 -0.106 0.000 1.182 87 Y CB -0.868 37.553 38.460 -0.065 0.000 0.983 87 Y HN 0.341 nan 8.280 nan 0.000 0.524 88 Q N 0.948 120.284 119.800 -0.773 0.000 2.198 88 Q HA 0.317 4.657 4.340 -0.000 0.000 0.209 88 Q C -0.468 175.339 176.000 -0.322 0.000 0.848 88 Q CA -0.007 55.541 55.803 -0.424 0.000 0.974 88 Q CB -0.365 28.147 28.738 -0.377 0.000 1.115 88 Q HN 0.527 nan 8.270 nan 0.000 0.494 89 L N 2.479 123.481 121.223 -0.369 0.000 2.416 89 L HA 0.356 4.696 4.340 -0.000 0.000 0.272 89 L C -2.055 174.553 176.870 -0.437 0.000 1.161 89 L CA -2.139 52.475 54.840 -0.376 0.000 0.845 89 L CB 0.530 42.361 42.059 -0.380 0.000 1.119 89 L HN 0.055 nan 8.230 nan 0.000 0.464 90 P HA 0.057 nan 4.420 nan 0.000 0.270 90 P C -0.096 176.725 177.300 -0.798 0.000 1.223 90 P CA -0.250 62.355 63.100 -0.825 0.000 0.785 90 P CB 0.493 31.355 31.700 -1.397 0.000 0.923 91 N N 0.999 119.352 118.700 -0.578 0.000 2.364 91 N HA -0.125 4.615 4.740 -0.000 0.000 0.183 91 N C 1.523 176.870 175.510 -0.272 0.000 1.022 91 N CA 0.941 53.779 53.050 -0.353 0.000 0.883 91 N CB -0.488 37.863 38.487 -0.226 0.000 0.965 91 N HN 0.676 nan 8.380 nan 0.000 0.438 92 W N 0.621 121.757 121.300 -0.273 0.000 2.525 92 W HA 0.217 4.877 4.660 -0.000 0.000 0.259 92 W C 0.095 176.541 176.519 -0.122 0.000 1.253 92 W CA -0.004 57.223 57.345 -0.197 0.000 1.262 92 W CB -0.404 28.907 29.460 -0.248 0.000 1.122 92 W HN -0.086 nan 8.180 nan 0.000 0.607 93 A N 2.166 124.643 122.820 -0.571 0.000 3.056 93 A HA 0.398 4.718 4.320 -0.000 0.000 0.274 93 A C -0.163 177.405 177.584 -0.026 0.000 1.661 93 A CA 0.199 52.007 52.037 -0.382 0.000 1.363 93 A CB -0.493 17.940 19.000 -0.946 0.000 1.139 93 A HN 0.139 nan 8.150 nan 0.000 0.598 94 S N 0.149 115.974 115.700 0.208 0.000 2.549 94 S HA 0.347 4.817 4.470 -0.000 0.000 0.280 94 S C 0.201 174.827 174.600 0.043 0.000 1.109 94 S CA -0.603 57.626 58.200 0.049 0.000 0.905 94 S CB 1.151 64.357 63.200 0.009 0.000 1.081 94 S HN 0.477 nan 8.310 nan 0.000 0.477 95 D N 2.128 122.485 120.400 -0.073 0.000 2.221 95 D HA -0.092 4.548 4.640 -0.000 0.000 0.204 95 D C 1.771 178.038 176.300 -0.055 0.000 0.982 95 D CA 1.701 55.633 54.000 -0.114 0.000 0.857 95 D CB -0.116 40.619 40.800 -0.108 0.000 0.934 95 D HN 0.640 nan 8.370 nan 0.000 0.475 96 S N 0.139 115.829 115.700 -0.017 0.000 2.603 96 S HA -0.078 4.392 4.470 -0.000 0.000 0.220 96 S C 0.776 175.391 174.600 0.025 0.000 0.967 96 S CA -0.337 57.860 58.200 -0.006 0.000 0.920 96 S CB -0.124 63.072 63.200 -0.007 0.000 0.773 96 S HN -0.022 nan 8.310 nan 0.000 0.529 97 N N 1.913 120.657 118.700 0.074 0.000 2.415 97 N HA 0.471 5.211 4.740 -0.000 0.000 0.246 97 N C 0.815 176.394 175.510 0.114 0.000 1.078 97 N CA 0.230 53.355 53.050 0.127 0.000 0.942 97 N CB 1.023 39.660 38.487 0.249 0.000 1.140 97 N HN 0.222 nan 8.380 nan 0.000 0.501 98 A N 3.706 126.563 122.820 0.061 0.000 2.121 98 A HA -0.114 4.206 4.320 -0.000 0.000 0.218 98 A C 1.591 179.207 177.584 0.055 0.000 1.154 98 A CA 0.980 53.038 52.037 0.036 0.000 0.679 98 A CB -0.252 18.756 19.000 0.012 0.000 0.795 98 A HN 0.698 nan 8.150 nan 0.000 0.458 99 N N -1.510 117.239 118.700 0.082 0.000 2.235 99 N HA 0.122 4.861 4.740 -0.000 0.000 0.209 99 N C 0.743 176.315 175.510 0.102 0.000 1.122 99 N CA -0.334 52.755 53.050 0.065 0.000 0.845 99 N CB -0.610 37.895 38.487 0.030 0.000 1.004 99 N HN 0.343 nan 8.380 nan 0.000 0.499 100 F N 1.559 121.522 119.950 0.023 0.000 2.085 100 F HA -0.308 4.219 4.527 -0.000 0.000 0.299 100 F C 2.065 177.894 175.800 0.048 0.000 1.096 100 F CA 1.748 59.808 58.000 0.101 0.000 1.227 100 F CB 0.150 39.210 39.000 0.099 0.000 0.983 100 F HN 0.070 nan 8.300 nan 0.000 0.482 101 R N 0.189 120.826 120.500 0.229 0.000 2.091 101 R HA -0.230 4.110 4.340 -0.000 0.000 0.238 101 R C 2.261 178.611 176.300 0.084 0.000 1.136 101 R CA 1.853 58.002 56.100 0.081 0.000 0.959 101 R CB -1.274 28.962 30.300 -0.105 0.000 0.856 101 R HN 0.533 nan 8.270 nan 0.000 0.437 102 Q N 0.447 120.251 119.800 0.007 0.000 2.123 102 Q HA -0.127 4.213 4.340 -0.000 0.000 0.199 102 Q C 1.047 176.966 176.000 -0.135 0.000 0.966 102 Q CA 1.403 57.192 55.803 -0.024 0.000 0.845 102 Q CB 0.137 28.861 28.738 -0.024 0.000 0.907 102 Q HN 0.215 nan 8.270 nan 0.000 0.439 103 D N -0.082 120.123 120.400 -0.326 0.000 2.178 103 D HA -0.135 4.505 4.640 -0.000 0.000 0.202 103 D C 1.529 177.154 176.300 -1.126 0.000 0.974 103 D CA 0.617 54.154 54.000 -0.772 0.000 0.841 103 D CB -0.301 39.885 40.800 -1.024 0.000 0.953 103 D HN 0.255 nan 8.370 nan 0.000 0.478 104 F N 1.908 121.220 119.950 -1.064 0.000 2.091 104 F HA -0.284 4.243 4.527 -0.000 0.000 0.299 104 F C 2.252 177.975 175.800 -0.128 0.000 1.103 104 F CA 1.917 59.596 58.000 -0.534 0.000 1.228 104 F CB -0.005 38.997 39.000 0.003 0.000 0.984 104 F HN -0.054 nan 8.300 nan 0.000 0.477 105 A N 0.310 123.159 122.820 0.048 0.000 1.877 105 A HA -0.227 4.093 4.320 -0.000 0.000 0.216 105 A C 2.283 179.852 177.584 -0.026 0.000 1.186 105 A CA 1.787 53.842 52.037 0.031 0.000 0.620 105 A CB -0.903 18.154 19.000 0.095 0.000 0.822 105 A HN 0.484 nan 8.150 nan 0.000 0.443 106 R N -1.428 119.068 120.500 -0.006 0.000 2.096 106 R HA -0.189 4.151 4.340 -0.000 0.000 0.235 106 R C 2.270 178.697 176.300 0.210 0.000 1.127 106 R CA 1.594 57.749 56.100 0.092 0.000 0.968 106 R CB -0.488 29.929 30.300 0.196 0.000 0.861 106 R HN 0.796 nan 8.270 nan 0.000 0.440 107 H N 0.454 119.658 119.070 0.222 0.000 2.267 107 H HA -0.136 4.420 4.556 -0.000 0.000 0.297 107 H C 2.028 177.404 175.328 0.080 0.000 1.080 107 H CA 2.366 58.654 56.048 0.400 0.000 1.278 107 H CB -0.081 29.965 29.762 0.473 0.000 1.365 107 H HN 0.221 nan 8.280 nan 0.000 0.489 108 I N 0.720 121.263 120.570 -0.045 0.000 2.202 108 I HA -0.240 3.930 4.170 -0.000 0.000 0.242 108 I C 2.235 178.211 176.117 -0.235 0.000 1.091 108 I CA 1.233 62.402 61.300 -0.218 0.000 1.368 108 I CB -0.294 37.528 38.000 -0.297 0.000 1.058 108 I HN 0.191 nan 8.210 nan 0.000 0.410 109 D N 0.625 120.922 120.400 -0.171 0.000 2.104 109 D HA -0.161 4.479 4.640 -0.000 0.000 0.194 109 D C 2.245 178.420 176.300 -0.209 0.000 0.994 109 D CA 1.810 55.715 54.000 -0.157 0.000 0.830 109 D CB -0.448 40.285 40.800 -0.112 0.000 0.959 109 D HN 0.261 nan 8.370 nan 0.000 0.452 110 T N 0.158 114.532 114.554 -0.301 0.000 2.770 110 T HA -0.050 4.300 4.350 -0.000 0.000 0.263 110 T C 2.254 176.766 174.700 -0.313 0.000 1.039 110 T CA 0.711 62.565 62.100 -0.410 0.000 1.142 110 T CB -0.303 67.975 68.868 -0.982 0.000 0.868 110 T HN -0.042 nan 8.240 nan 0.000 0.435 111 V N 1.680 121.460 119.914 -0.224 0.000 2.307 111 V HA -0.095 4.025 4.120 -0.000 0.000 0.245 111 V C 2.898 179.022 176.094 0.050 0.000 1.045 111 V CA 1.675 63.937 62.300 -0.063 0.000 1.024 111 V CB -1.182 30.641 31.823 0.001 0.000 0.651 111 V HN 0.510 nan 8.190 nan 0.000 0.449 112 A N -0.007 122.725 122.820 -0.147 0.000 1.873 112 A HA -0.052 4.268 4.320 -0.000 0.000 0.215 112 A C 2.404 180.016 177.584 0.047 0.000 1.186 112 A CA 2.052 54.045 52.037 -0.074 0.000 0.616 112 A CB -0.834 17.980 19.000 -0.310 0.000 0.823 112 A HN 0.541 nan 8.150 nan 0.000 0.442 113 A N -1.282 121.495 122.820 -0.072 0.000 1.873 113 A HA -0.193 4.126 4.320 -0.000 0.000 0.215 113 A C 2.105 179.603 177.584 -0.143 0.000 1.186 113 A CA 1.678 53.665 52.037 -0.083 0.000 0.616 113 A CB -1.085 17.849 19.000 -0.110 0.000 0.823 113 A HN 0.741 nan 8.150 nan 0.000 0.442 114 H N -1.503 117.361 119.070 -0.344 0.000 2.362 114 H HA -0.211 4.345 4.556 -0.000 0.000 0.294 114 H C 1.071 176.109 175.328 -0.484 0.000 1.113 114 H CA 2.215 57.903 56.048 -0.600 0.000 1.253 114 H CB -0.241 28.744 29.762 -1.294 0.000 1.363 114 H HN 0.462 nan 8.280 nan 0.000 0.494 115 F N 0.670 120.535 119.950 -0.141 0.000 2.732 115 F HA 0.337 4.864 4.527 -0.000 0.000 0.303 115 F C 1.341 177.133 175.800 -0.014 0.000 1.110 115 F CA 0.335 58.316 58.000 -0.031 0.000 1.355 115 F CB -0.131 39.020 39.000 0.252 0.000 1.081 115 F HN 0.126 nan 8.300 nan 0.000 0.565 116 A N -0.047 122.832 122.820 0.098 0.000 2.546 116 A HA 0.404 4.724 4.320 -0.000 0.000 0.243 116 A C 1.574 179.182 177.584 0.040 0.000 1.063 116 A CA 0.842 52.928 52.037 0.081 0.000 0.757 116 A CB -0.652 18.363 19.000 0.025 0.000 0.991 116 A HN 0.930 nan 8.150 nan 0.000 0.503 117 G N 1.373 110.205 108.800 0.054 0.000 2.195 117 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.246 117 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.246 117 G C 0.599 175.518 174.900 0.033 0.000 0.984 117 G CA 0.809 45.927 45.100 0.030 0.000 0.633 117 G HN 0.832 nan 8.290 nan 0.000 0.525 118 Q N -0.971 118.864 119.800 0.059 0.000 2.280 118 Q HA 0.463 4.803 4.340 -0.000 0.000 0.244 118 Q C 0.305 176.313 176.000 0.014 0.000 0.847 118 Q CA 0.472 56.312 55.803 0.062 0.000 0.945 118 Q CB 1.860 30.676 28.738 0.131 0.000 1.115 118 Q HN 0.391 nan 8.270 nan 0.000 0.513 119 V N 1.677 121.576 119.914 -0.025 0.000 2.448 119 V HA 0.155 4.275 4.120 -0.000 0.000 0.295 119 V C 0.595 176.619 176.094 -0.115 0.000 1.025 119 V CA -0.470 61.717 62.300 -0.189 0.000 0.859 119 V CB 1.853 33.382 31.823 -0.491 0.000 0.988 119 V HN 0.099 nan 8.190 nan 0.000 0.431 120 K N 2.796 123.144 120.400 -0.087 0.000 2.155 120 K HA 0.032 4.352 4.320 -0.000 0.000 0.203 120 K C 0.581 177.215 176.600 0.057 0.000 1.052 120 K CA 1.245 57.539 56.287 0.012 0.000 0.948 120 K CB 0.296 32.823 32.500 0.046 0.000 0.728 120 K HN 0.863 nan 8.250 nan 0.000 0.448 121 S N -2.082 113.603 115.700 -0.026 0.000 2.565 121 S HA 0.464 4.934 4.470 -0.000 0.000 0.269 121 S C -1.764 172.698 174.600 -0.230 0.000 1.153 121 S CA -1.176 57.107 58.200 0.139 0.000 0.835 121 S CB 0.633 64.114 63.200 0.468 0.000 1.122 121 S HN 0.256 nan 8.310 nan 0.000 0.462 122 W N 0.463 121.772 121.300 0.015 0.000 2.915 122 W HA 0.454 5.114 4.660 -0.000 0.000 0.337 122 W C -1.215 175.260 176.519 -0.073 0.000 1.102 122 W CA -0.369 56.849 57.345 -0.210 0.000 1.224 122 W CB 1.592 30.986 29.460 -0.111 0.000 1.416 122 W HN 0.575 nan 8.180 nan 0.000 0.503 123 D N 2.592 123.035 120.400 0.071 0.000 2.383 123 D HA 0.061 4.700 4.640 -0.000 0.000 0.245 123 D C 1.054 177.418 176.300 0.106 0.000 1.263 123 D CA 0.297 54.402 54.000 0.175 0.000 0.936 123 D CB 1.196 42.075 40.800 0.131 0.000 1.053 123 D HN 0.083 nan 8.370 nan 0.000 0.507 124 V N 2.269 122.176 119.914 -0.012 0.000 2.283 124 V HA -0.099 4.021 4.120 -0.000 0.000 0.243 124 V C 1.040 176.984 176.094 -0.250 0.000 1.039 124 V CA 0.981 63.093 62.300 -0.315 0.000 1.016 124 V CB 0.147 31.434 31.823 -0.893 0.000 0.650 124 V HN 0.282 nan 8.190 nan 0.000 0.449 125 V N 0.765 120.602 119.914 -0.127 0.000 2.540 125 V HA 0.492 4.612 4.120 -0.000 0.000 0.302 125 V C -0.798 175.302 176.094 0.010 0.000 1.035 125 V CA -0.747 61.603 62.300 0.084 0.000 0.873 125 V CB 1.775 33.788 31.823 0.317 0.000 0.992 125 V HN 0.440 nan 8.190 nan 0.000 0.428 126 N N 2.392 121.115 118.700 0.040 0.000 2.342 126 N HA 0.391 5.131 4.740 -0.000 0.000 0.293 126 N C -0.209 175.445 175.510 0.239 0.000 1.026 126 N CA -0.389 52.601 53.050 -0.099 0.000 0.857 126 N CB 1.190 39.424 38.487 -0.420 0.000 1.256 126 N HN 0.767 nan 8.380 nan 0.000 0.484 127 E N 1.062 121.379 120.200 0.194 0.000 2.340 127 E HA -0.227 4.123 4.350 -0.000 0.000 0.240 127 E C -0.122 176.817 176.600 0.564 0.000 1.154 127 E CA 0.576 57.255 56.400 0.466 0.000 0.717 127 E CB -1.511 28.674 29.700 0.809 0.000 1.250 127 E HN 0.612 nan 8.360 nan 0.000 0.386 128 A N -0.012 123.175 122.820 0.612 0.000 2.167 128 A HA 0.126 4.446 4.320 -0.000 0.000 0.214 128 A C 0.958 178.821 177.584 0.465 0.000 1.151 128 A CA 0.305 52.726 52.037 0.639 0.000 0.735 128 A CB 0.232 19.663 19.000 0.719 0.000 0.802 128 A HN 0.263 nan 8.150 nan 0.000 0.467 129 L N -0.442 120.966 121.223 0.308 0.000 2.350 129 L HA 0.353 4.693 4.340 -0.000 0.000 0.275 129 L C 0.163 177.081 176.870 0.080 0.000 1.099 129 L CA -0.872 54.036 54.840 0.113 0.000 0.808 129 L CB 0.826 42.889 42.059 0.007 0.000 1.149 129 L HN 0.372 nan 8.230 nan 0.000 0.442 130 F N 3.299 123.221 119.950 -0.047 0.000 2.563 130 F HA 0.083 4.610 4.527 -0.000 0.000 0.363 130 F C 0.197 175.958 175.800 -0.065 0.000 1.123 130 F CA 0.311 58.279 58.000 -0.052 0.000 1.307 130 F CB 0.331 39.291 39.000 -0.067 0.000 1.115 130 F HN 0.424 nan 8.300 nan 0.000 0.592 131 D N 3.384 123.126 120.400 -1.097 0.000 2.890 131 D HA 0.086 4.726 4.640 -0.000 0.000 0.233 131 D C 0.300 176.081 176.300 -0.865 0.000 1.306 131 D CA 0.087 53.619 54.000 -0.781 0.000 0.929 131 D CB 2.021 42.613 40.800 -0.347 0.000 1.512 131 D HN 0.598 nan 8.370 nan 0.000 0.568 132 S N 2.093 117.418 115.700 -0.624 0.000 2.423 132 S HA -0.079 4.390 4.470 -0.000 0.000 0.231 132 S C 1.790 176.319 174.600 -0.120 0.000 1.014 132 S CA 0.900 58.933 58.200 -0.279 0.000 0.965 132 S CB 0.024 63.218 63.200 -0.010 0.000 0.785 132 S HN 0.425 nan 8.310 nan 0.000 0.495 133 A N 0.641 123.412 122.820 -0.080 0.000 2.239 133 A HA 0.146 4.465 4.320 -0.000 0.000 0.209 133 A C 1.208 178.821 177.584 0.050 0.000 1.171 133 A CA 1.113 53.149 52.037 -0.002 0.000 0.768 133 A CB -0.310 18.706 19.000 0.027 0.000 0.790 133 A HN 0.481 nan 8.150 nan 0.000 0.478 134 D N -0.955 119.455 120.400 0.018 0.000 2.992 134 D HA 0.168 4.808 4.640 -0.000 0.000 0.372 134 D C -1.066 175.219 176.300 -0.026 0.000 1.374 134 D CA -0.261 53.782 54.000 0.073 0.000 0.769 134 D CB 0.097 41.054 40.800 0.261 0.000 1.215 134 D HN 0.094 nan 8.370 nan 0.000 0.473 135 D N 0.486 120.860 120.400 -0.043 0.000 2.749 135 D HA 0.231 4.871 4.640 -0.000 0.000 0.338 135 D C -1.566 174.760 176.300 0.043 0.000 1.236 135 D CA -1.722 52.278 54.000 0.000 0.000 0.845 135 D CB 1.151 41.989 40.800 0.065 0.000 1.080 135 D HN 0.059 nan 8.370 nan 0.000 0.497 136 P HA -0.012 nan 4.420 nan 0.000 0.230 136 P C 0.256 177.578 177.300 0.035 0.000 1.158 136 P CA 0.637 63.761 63.100 0.040 0.000 0.769 136 P CB 0.573 32.299 31.700 0.044 0.000 0.807 137 D N -0.754 119.666 120.400 0.034 0.000 2.360 137 D HA 0.150 4.790 4.640 -0.000 0.000 0.210 137 D C 1.388 177.709 176.300 0.035 0.000 1.047 137 D CA 0.652 54.667 54.000 0.026 0.000 0.854 137 D CB -0.415 40.394 40.800 0.014 0.000 0.936 137 D HN 0.123 nan 8.370 nan 0.000 0.514 138 G N 1.766 110.601 108.800 0.058 0.000 2.246 138 G HA2 -0.383 3.577 3.960 -0.000 0.000 0.273 138 G HA3 -0.383 3.577 3.960 -0.000 0.000 0.273 138 G C 1.063 175.997 174.900 0.056 0.000 1.055 138 G CA 0.254 45.396 45.100 0.069 0.000 0.851 138 G HN 0.327 nan 8.290 nan 0.000 0.500 139 R N 0.013 120.553 120.500 0.068 0.000 2.161 139 R HA 0.373 4.713 4.340 -0.000 0.000 0.213 139 R C 1.810 178.097 176.300 -0.022 0.000 1.055 139 R CA 0.809 56.923 56.100 0.024 0.000 0.996 139 R CB -0.013 30.298 30.300 0.018 0.000 0.901 139 R HN 1.637 nan 8.270 nan 0.000 0.456 140 G N 0.533 109.345 108.800 0.020 0.000 2.829 140 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.628 140 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.628 140 G C -0.529 173.927 174.900 -0.740 0.000 1.412 140 G CA -0.298 44.610 45.100 -0.319 0.000 0.864 140 G HN 0.211 nan 8.290 nan 0.000 0.544 141 S N -0.476 114.426 115.700 -1.331 0.000 2.548 141 S HA 0.642 5.112 4.470 -0.000 0.000 0.277 141 S C 0.653 175.011 174.600 -0.404 0.000 1.315 141 S CA 0.711 58.307 58.200 -1.006 0.000 1.050 141 S CB 0.678 63.310 63.200 -0.946 0.000 0.918 141 S HN 2.157 nan 8.310 nan 0.000 0.497 142 A N 4.962 127.640 122.820 -0.237 0.000 2.511 142 A HA 0.509 4.829 4.320 -0.000 0.000 0.340 142 A C 0.410 178.039 177.584 0.076 0.000 1.396 142 A CA -0.730 51.257 52.037 -0.084 0.000 0.887 142 A CB -0.374 18.547 19.000 -0.131 0.000 1.145 142 A HN 0.982 nan 8.150 nan 0.000 0.497 143 N N 1.353 120.074 118.700 0.034 0.000 2.725 143 N HA -0.243 4.497 4.740 -0.000 0.000 0.249 143 N C 1.029 176.526 175.510 -0.022 0.000 1.103 143 N CA 2.164 55.255 53.050 0.069 0.000 0.707 143 N CB -1.239 37.366 38.487 0.196 0.000 1.043 143 N HN 1.933 nan 8.380 nan 0.000 0.553 144 G N -2.168 106.576 108.800 -0.094 0.000 2.217 144 G HA2 -0.349 3.611 3.960 -0.000 0.000 0.246 144 G HA3 -0.349 3.611 3.960 -0.000 0.000 0.246 144 G C -0.081 174.702 174.900 -0.196 0.000 0.990 144 G CA 0.351 45.350 45.100 -0.169 0.000 0.627 144 G HN 0.448 nan 8.290 nan 0.000 0.522 145 Y N 0.865 121.176 120.300 0.018 0.000 2.320 145 Y HA 0.592 5.142 4.550 -0.000 0.000 0.324 145 Y C 1.121 176.994 175.900 -0.044 0.000 1.190 145 Y CA -0.642 57.469 58.100 0.019 0.000 1.215 145 Y CB 0.737 39.221 38.460 0.040 0.000 1.221 145 Y HN 0.187 nan 8.280 nan 0.000 0.486 146 R N 2.319 122.956 120.500 0.227 0.000 2.347 146 R HA 0.086 4.426 4.340 -0.000 0.000 0.304 146 R C -0.642 175.638 176.300 -0.034 0.000 1.072 146 R CA -0.171 56.020 56.100 0.151 0.000 0.980 146 R CB 0.402 30.791 30.300 0.148 0.000 0.986 146 R HN 0.771 nan 8.270 nan 0.000 0.448 147 Q N 2.882 122.611 119.800 -0.118 0.000 3.207 147 Q HA 0.077 4.417 4.340 -0.000 0.000 0.335 147 Q C 0.109 176.110 176.000 0.001 0.000 1.374 147 Q CA -0.330 55.365 55.803 -0.180 0.000 1.023 147 Q CB 0.663 29.296 28.738 -0.176 0.000 1.576 147 Q HN 0.675 nan 8.270 nan 0.000 0.515 148 S N -1.453 114.287 115.700 0.066 0.000 2.626 148 S HA 0.068 4.538 4.470 -0.000 0.000 0.257 148 S C 1.231 175.798 174.600 -0.055 0.000 1.288 148 S CA -0.622 57.597 58.200 0.032 0.000 0.980 148 S CB 1.063 64.365 63.200 0.170 0.000 0.975 148 S HN 0.282 nan 8.310 nan 0.000 0.577 149 V N 0.516 120.292 119.914 -0.230 0.000 2.490 149 V HA -0.086 4.034 4.120 -0.000 0.000 0.250 149 V C 1.801 177.610 176.094 -0.474 0.000 1.061 149 V CA 1.837 63.907 62.300 -0.383 0.000 1.064 149 V CB -1.199 30.363 31.823 -0.435 0.000 0.670 149 V HN 0.783 nan 8.190 nan 0.000 0.461 150 F N -0.770 119.115 119.950 -0.108 0.000 2.146 150 F HA -0.093 4.434 4.527 0.000 0.000 0.298 150 F C 2.257 177.803 175.800 -0.424 0.000 1.096 150 F CA 2.063 59.875 58.000 -0.313 0.000 1.275 150 F CB -1.275 37.252 39.000 -0.789 0.000 1.008 150 F HN 0.263 nan 8.300 nan 0.000 0.480 151 Y N 1.186 121.312 120.300 -0.290 0.000 2.181 151 Y HA -0.179 4.371 4.550 -0.000 0.000 0.288 151 Y C 2.536 178.441 175.900 0.009 0.000 1.146 151 Y CA 1.513 59.624 58.100 0.019 0.000 1.164 151 Y CB -0.302 38.242 38.460 0.139 0.000 0.982 151 Y HN -0.121 nan 8.280 nan 0.000 0.515 152 R N -0.444 120.125 120.500 0.115 0.000 2.073 152 R HA -0.172 4.168 4.340 -0.000 0.000 0.234 152 R C 2.245 178.457 176.300 -0.147 0.000 1.134 152 R CA 1.573 57.676 56.100 0.005 0.000 0.952 152 R CB -0.376 29.887 30.300 -0.060 0.000 0.850 152 R HN 0.399 nan 8.270 nan 0.000 0.433 153 Q N -0.407 119.213 119.800 -0.301 0.000 2.167 153 Q HA -0.082 4.258 4.340 -0.000 0.000 0.202 153 Q C 1.614 177.449 176.000 -0.276 0.000 0.970 153 Q CA 1.268 56.804 55.803 -0.444 0.000 0.855 153 Q CB 0.085 28.159 28.738 -1.106 0.000 0.911 153 Q HN 0.306 nan 8.270 nan 0.000 0.438 154 F N -0.433 119.374 119.950 -0.239 0.000 2.776 154 F HA 0.192 4.719 4.527 0.000 0.000 0.300 154 F C 1.480 177.162 175.800 -0.196 0.000 1.116 154 F CA 0.613 58.519 58.000 -0.158 0.000 1.375 154 F CB 0.221 39.178 39.000 -0.073 0.000 1.109 154 F HN 0.149 nan 8.300 nan 0.000 0.585 155 G N 0.599 109.333 108.800 -0.109 0.000 2.225 155 G HA2 0.046 4.006 3.960 -0.000 0.000 0.267 155 G HA3 0.046 4.006 3.960 -0.000 0.000 0.267 155 G C 0.545 175.242 174.900 -0.337 0.000 1.024 155 G CA 0.230 45.227 45.100 -0.171 0.000 0.784 155 G HN 1.000 nan 8.290 nan 0.000 0.507 156 G N -1.917 106.455 108.800 -0.712 0.000 2.356 156 G HA2 0.583 4.543 3.960 -0.000 0.000 0.288 156 G HA3 0.583 4.543 3.960 -0.000 0.000 0.288 156 G C -2.216 172.223 174.900 -0.768 0.000 1.302 156 G CA 0.267 44.774 45.100 -0.989 0.000 0.887 156 G HN 0.376 nan 8.290 nan 0.000 0.521 157 P HA 0.135 nan 4.420 nan 0.000 0.245 157 P C 0.748 177.806 177.300 -0.402 0.000 1.212 157 P CA 0.673 63.471 63.100 -0.503 0.000 0.774 157 P CB 0.306 31.451 31.700 -0.926 0.000 0.999 158 E N -0.275 119.792 120.200 -0.221 0.000 2.333 158 E HA -0.185 4.165 4.350 -0.000 0.000 0.198 158 E C 1.732 178.194 176.600 -0.230 0.000 1.007 158 E CA 0.960 57.283 56.400 -0.127 0.000 0.845 158 E CB -1.221 28.499 29.700 0.033 0.000 0.766 158 E HN 0.548 nan 8.360 nan 0.000 0.507 159 Y N -0.790 119.177 120.300 -0.554 0.000 2.333 159 Y HA -0.108 4.442 4.550 0.000 0.000 0.290 159 Y C 1.729 177.479 175.900 -0.250 0.000 1.144 159 Y CA 0.780 58.271 58.100 -1.016 0.000 1.228 159 Y CB -0.506 37.217 38.460 -1.229 0.000 0.985 159 Y HN -0.017 nan 8.280 nan 0.000 0.542 160 I N 1.071 121.190 120.570 -0.751 0.000 2.163 160 I HA -0.239 3.931 4.170 -0.000 0.000 0.240 160 I C 1.762 177.918 176.117 0.064 0.000 1.081 160 I CA 1.739 62.837 61.300 -0.336 0.000 1.353 160 I CB -0.510 37.281 38.000 -0.348 0.000 1.054 160 I HN 0.168 nan 8.210 nan 0.000 0.407 161 D N 0.756 121.144 120.400 -0.020 0.000 2.116 161 D HA -0.264 4.376 4.640 -0.000 0.000 0.193 161 D C 2.020 178.401 176.300 0.135 0.000 0.998 161 D CA 1.424 55.463 54.000 0.065 0.000 0.836 161 D CB -0.230 40.574 40.800 0.007 0.000 0.951 161 D HN 0.395 nan 8.370 nan 0.000 0.449 162 E N 0.176 120.441 120.200 0.109 0.000 2.077 162 E HA -0.172 4.178 4.350 -0.000 0.000 0.193 162 E C 2.015 178.740 176.600 0.208 0.000 0.989 162 E CA 1.021 57.537 56.400 0.192 0.000 0.800 162 E CB -0.069 29.797 29.700 0.277 0.000 0.746 162 E HN 0.241 nan 8.360 nan 0.000 0.452 163 A N 0.318 123.260 122.820 0.203 0.000 1.877 163 A HA -0.164 4.156 4.320 -0.000 0.000 0.216 163 A C 1.922 179.461 177.584 -0.074 0.000 1.186 163 A CA 1.343 53.397 52.037 0.027 0.000 0.620 163 A CB -0.927 18.063 19.000 -0.018 0.000 0.822 163 A HN 0.359 nan 8.150 nan 0.000 0.443 164 F N -0.226 119.735 119.950 0.018 0.000 2.102 164 F HA -0.132 4.395 4.527 -0.000 0.000 0.298 164 F C 2.629 178.432 175.800 0.006 0.000 1.105 164 F CA 1.881 59.888 58.000 0.010 0.000 1.239 164 F CB -0.303 38.706 39.000 0.016 0.000 0.991 164 F HN 0.090 nan 8.300 nan 0.000 0.474 165 R N -0.124 120.495 120.500 0.198 0.000 2.096 165 R HA -0.121 4.219 4.340 -0.000 0.000 0.235 165 R C 2.256 178.599 176.300 0.071 0.000 1.127 165 R CA 1.345 57.517 56.100 0.120 0.000 0.968 165 R CB -0.294 30.069 30.300 0.106 0.000 0.861 165 R HN 0.285 nan 8.270 nan 0.000 0.440 166 R N -0.072 120.457 120.500 0.048 0.000 2.093 166 R HA 0.041 4.381 4.340 -0.000 0.000 0.224 166 R C 2.298 178.564 176.300 -0.057 0.000 1.101 166 R CA 1.004 57.103 56.100 -0.000 0.000 0.979 166 R CB -0.208 30.088 30.300 -0.006 0.000 0.877 166 R HN 0.170 nan 8.270 nan 0.000 0.441 167 A N 1.613 124.374 122.820 -0.098 0.000 1.877 167 A HA -0.219 4.101 4.320 -0.000 0.000 0.216 167 A C 2.161 179.719 177.584 -0.042 0.000 1.186 167 A CA 1.578 53.527 52.037 -0.146 0.000 0.620 167 A CB -0.392 18.464 19.000 -0.240 0.000 0.822 167 A HN 0.131 nan 8.150 nan 0.000 0.443 168 R N 0.279 120.791 120.500 0.020 0.000 2.083 168 R HA -0.074 4.266 4.340 -0.000 0.000 0.237 168 R C 2.103 178.421 176.300 0.031 0.000 1.137 168 R CA 2.181 58.313 56.100 0.053 0.000 0.951 168 R CB -0.872 29.476 30.300 0.079 0.000 0.851 168 R HN 0.383 nan 8.270 nan 0.000 0.434 169 A N 0.033 122.864 122.820 0.019 0.000 1.930 169 A HA 0.053 4.373 4.320 -0.000 0.000 0.217 169 A C 2.354 179.936 177.584 -0.003 0.000 1.175 169 A CA 1.586 53.630 52.037 0.011 0.000 0.627 169 A CB -0.930 18.077 19.000 0.012 0.000 0.815 169 A HN 0.511 nan 8.150 nan 0.000 0.443 170 A N -1.286 121.521 122.820 -0.022 0.000 1.968 170 A HA 0.072 4.392 4.320 -0.000 0.000 0.217 170 A C 0.892 178.468 177.584 -0.015 0.000 1.169 170 A CA 1.620 53.634 52.037 -0.038 0.000 0.638 170 A CB -0.047 18.907 19.000 -0.078 0.000 0.812 170 A HN 0.400 nan 8.150 nan 0.000 0.446 171 D N -2.386 118.021 120.400 0.012 0.000 2.381 171 D HA 0.325 4.965 4.640 -0.000 0.000 0.245 171 D C -2.599 173.742 176.300 0.067 0.000 1.297 171 D CA -1.539 52.491 54.000 0.051 0.000 0.931 171 D CB 1.086 41.951 40.800 0.108 0.000 1.334 171 D HN -0.086 nan 8.370 nan 0.000 0.535 172 P HA -0.038 nan 4.420 nan 0.000 0.231 172 P C 1.220 178.560 177.300 0.066 0.000 1.158 172 P CA 0.971 64.103 63.100 0.054 0.000 0.763 172 P CB 0.212 31.934 31.700 0.038 0.000 0.805 173 T N -4.276 110.322 114.554 0.074 0.000 3.067 173 T HA 0.275 4.625 4.350 -0.000 0.000 0.257 173 T C 0.951 175.713 174.700 0.104 0.000 1.105 173 T CA -0.049 62.096 62.100 0.076 0.000 1.104 173 T CB -0.454 68.452 68.868 0.063 0.000 0.925 173 T HN -0.011 nan 8.240 nan 0.000 0.498 174 A N 1.219 124.124 122.820 0.143 0.000 2.388 174 A HA 0.468 4.788 4.320 -0.000 0.000 0.257 174 A C 0.076 177.774 177.584 0.190 0.000 1.095 174 A CA -0.573 51.580 52.037 0.194 0.000 0.791 174 A CB 0.161 19.361 19.000 0.334 0.000 1.029 174 A HN 0.559 nan 8.150 nan 0.000 0.489 175 E N 1.755 122.081 120.200 0.210 0.000 2.194 175 E HA 0.427 4.777 4.350 -0.000 0.000 0.284 175 E C -1.164 175.587 176.600 0.253 0.000 1.035 175 E CA -0.205 56.313 56.400 0.196 0.000 0.836 175 E CB 0.408 30.263 29.700 0.259 0.000 1.070 175 E HN 0.587 nan 8.360 nan 0.000 0.401 176 L N 5.491 126.796 121.223 0.136 0.000 2.272 176 L HA 0.371 4.711 4.340 -0.000 0.000 0.289 176 L C -0.881 176.095 176.870 0.175 0.000 1.032 176 L CA -0.722 54.271 54.840 0.254 0.000 0.810 176 L CB 0.447 42.706 42.059 0.334 0.000 1.205 176 L HN 0.573 nan 8.230 nan 0.000 0.422 177 Y N 1.628 122.175 120.300 0.412 0.000 2.468 177 Y HA 0.327 4.877 4.550 -0.000 0.000 0.342 177 Y C -0.352 175.837 175.900 0.482 0.000 1.021 177 Y CA -0.558 57.785 58.100 0.404 0.000 1.079 177 Y CB 1.893 40.539 38.460 0.312 0.000 1.226 177 Y HN 0.353 nan 8.280 nan 0.000 0.460 178 Y N 3.303 123.931 120.300 0.547 0.000 2.326 178 Y HA 0.401 4.951 4.550 -0.000 0.000 0.337 178 Y C -0.775 175.280 175.900 0.258 0.000 1.023 178 Y CA -0.717 57.637 58.100 0.424 0.000 1.143 178 Y CB 0.550 39.183 38.460 0.288 0.000 1.183 178 Y HN 0.699 nan 8.280 nan 0.000 0.485 179 N N 4.064 122.325 118.700 -0.732 0.000 2.272 179 N HA 0.443 5.183 4.740 -0.000 0.000 0.305 179 N C -2.001 173.176 175.510 -0.556 0.000 1.103 179 N CA -0.372 52.417 53.050 -0.435 0.000 0.791 179 N CB 1.463 39.839 38.487 -0.185 0.000 1.356 179 N HN 0.767 nan 8.380 nan 0.000 0.486 180 D N 0.078 120.314 120.400 -0.274 0.000 2.671 180 D HA 0.334 4.974 4.640 -0.000 0.000 0.273 180 D C -1.479 174.834 176.300 0.021 0.000 1.264 180 D CA -0.320 53.620 54.000 -0.100 0.000 0.788 180 D CB 0.987 41.746 40.800 -0.069 0.000 1.324 180 D HN 0.317 nan 8.370 nan 0.000 0.424 181 F N 0.149 120.109 119.950 0.015 0.000 2.575 181 F HA 0.573 5.100 4.527 -0.000 0.000 0.330 181 F C 0.991 176.847 175.800 0.092 0.000 1.056 181 F CA -0.732 57.316 58.000 0.080 0.000 0.964 181 F CB 0.653 39.752 39.000 0.166 0.000 1.258 181 F HN 0.255 nan 8.300 nan 0.000 0.484 182 N N -1.143 117.683 118.700 0.209 0.000 2.900 182 N HA -0.221 4.519 4.740 -0.000 0.000 0.240 182 N C 0.970 176.511 175.510 0.052 0.000 0.953 182 N CA 1.681 54.801 53.050 0.117 0.000 0.950 182 N CB -1.727 36.788 38.487 0.048 0.000 1.102 182 N HN 0.986 nan 8.380 nan 0.000 0.593 183 T N -1.487 113.093 114.554 0.044 0.000 3.118 183 T HA -0.053 4.297 4.350 -0.000 0.000 0.260 183 T C 1.380 176.256 174.700 0.293 0.000 1.139 183 T CA 1.117 63.260 62.100 0.071 0.000 1.085 183 T CB 0.088 68.881 68.868 -0.124 0.000 0.934 183 T HN 0.437 nan 8.240 nan 0.000 0.518 184 E N 1.816 122.198 120.200 0.303 0.000 2.478 184 E HA -0.031 4.319 4.350 -0.000 0.000 0.194 184 E C 1.184 177.820 176.600 0.060 0.000 1.045 184 E CA 0.362 56.888 56.400 0.209 0.000 0.868 184 E CB -0.212 29.571 29.700 0.139 0.000 0.885 184 E HN 0.651 nan 8.360 nan 0.000 0.505 185 E N 0.907 121.142 120.200 0.058 0.000 2.427 185 E HA -0.051 4.299 4.350 -0.000 0.000 0.196 185 E C 0.091 176.695 176.600 0.008 0.000 1.028 185 E CA 0.207 56.602 56.400 -0.007 0.000 0.864 185 E CB -0.245 29.495 29.700 0.066 0.000 0.813 185 E HN 0.141 nan 8.360 nan 0.000 0.514 186 N N -0.159 118.566 118.700 0.042 0.000 2.747 186 N HA -0.145 4.595 4.740 -0.000 0.000 0.249 186 N C -0.253 175.279 175.510 0.037 0.000 1.107 186 N CA 0.823 53.895 53.050 0.038 0.000 0.707 186 N CB -1.067 37.429 38.487 0.014 0.000 1.054 186 N HN 0.325 nan 8.380 nan 0.000 0.555 187 G N -1.359 107.468 108.800 0.045 0.000 2.940 187 G HA2 0.663 4.623 3.960 -0.000 0.000 0.164 187 G HA3 0.663 4.623 3.960 -0.000 0.000 0.164 187 G C 1.057 175.975 174.900 0.031 0.000 1.326 187 G CA 0.179 45.306 45.100 0.044 0.000 1.020 187 G HN 0.420 nan 8.290 nan 0.000 0.586 188 A N -0.523 122.315 122.820 0.031 0.000 1.940 188 A HA -0.035 4.285 4.320 -0.000 0.000 0.219 188 A C 2.166 179.753 177.584 0.006 0.000 1.176 188 A CA 2.278 54.327 52.037 0.021 0.000 0.631 188 A CB -0.477 18.544 19.000 0.034 0.000 0.814 188 A HN 0.514 nan 8.150 nan 0.000 0.446 189 K N -0.995 119.406 120.400 0.001 0.000 2.097 189 K HA -0.101 4.219 4.320 -0.000 0.000 0.205 189 K C 2.000 178.582 176.600 -0.029 0.000 1.050 189 K CA 1.605 57.873 56.287 -0.031 0.000 0.938 189 K CB -0.232 32.226 32.500 -0.069 0.000 0.718 189 K HN 0.482 nan 8.250 nan 0.000 0.442 190 T N 0.335 114.892 114.554 0.005 0.000 2.720 190 T HA -0.131 4.219 4.350 -0.000 0.000 0.268 190 T C 1.728 176.432 174.700 0.006 0.000 1.037 190 T CA 1.925 64.042 62.100 0.028 0.000 1.144 190 T CB -0.406 68.503 68.868 0.067 0.000 0.864 190 T HN 0.323 nan 8.240 nan 0.000 0.444 191 T N 1.956 116.509 114.554 -0.002 0.000 2.746 191 T HA -0.029 4.321 4.350 -0.000 0.000 0.267 191 T C 2.404 177.077 174.700 -0.045 0.000 1.039 191 T CA 1.163 63.255 62.100 -0.014 0.000 1.142 191 T CB -0.538 68.325 68.868 -0.008 0.000 0.866 191 T HN 0.447 nan 8.240 nan 0.000 0.444 192 A N 1.177 123.957 122.820 -0.066 0.000 1.933 192 A HA 0.006 4.326 4.320 -0.000 0.000 0.218 192 A C 2.231 179.719 177.584 -0.160 0.000 1.175 192 A CA 1.192 53.151 52.037 -0.131 0.000 0.628 192 A CB -0.758 18.154 19.000 -0.148 0.000 0.814 192 A HN 0.414 nan 8.150 nan 0.000 0.444 193 L N -0.027 121.129 121.223 -0.111 0.000 2.017 193 L HA -0.125 4.215 4.340 -0.000 0.000 0.208 193 L C 2.378 179.189 176.870 -0.097 0.000 1.073 193 L CA 1.987 56.761 54.840 -0.110 0.000 0.745 193 L CB -0.583 41.435 42.059 -0.068 0.000 0.894 193 L HN 0.148 nan 8.230 nan 0.000 0.432 194 V N 0.387 120.270 119.914 -0.052 0.000 2.287 194 V HA -0.368 3.752 4.120 -0.000 0.000 0.248 194 V C 2.237 178.298 176.094 -0.056 0.000 1.053 194 V CA 2.459 64.739 62.300 -0.035 0.000 1.027 194 V CB -1.005 30.812 31.823 -0.011 0.000 0.646 194 V HN 0.598 nan 8.190 nan 0.000 0.447 195 N N -0.123 118.536 118.700 -0.069 0.000 2.188 195 N HA -0.144 4.596 4.740 -0.000 0.000 0.184 195 N C 1.888 177.359 175.510 -0.066 0.000 1.018 195 N CA 1.186 54.199 53.050 -0.061 0.000 0.858 195 N CB -0.169 38.280 38.487 -0.064 0.000 0.989 195 N HN 0.456 nan 8.380 nan 0.000 0.426 196 L N 0.902 122.050 121.223 -0.126 0.000 2.017 196 L HA -0.142 4.197 4.340 -0.000 0.000 0.208 196 L C 1.919 178.703 176.870 -0.143 0.000 1.073 196 L CA 1.147 55.914 54.840 -0.120 0.000 0.745 196 L CB -0.159 41.736 42.059 -0.272 0.000 0.894 196 L HN -0.007 nan 8.230 nan 0.000 0.432 197 V N -0.259 119.558 119.914 -0.161 0.000 2.358 197 V HA -0.267 3.853 4.120 -0.000 0.000 0.246 197 V C 2.474 178.507 176.094 -0.103 0.000 1.047 197 V CA 1.838 64.051 62.300 -0.146 0.000 1.035 197 V CB -0.531 31.233 31.823 -0.099 0.000 0.658 197 V HN 0.524 nan 8.190 nan 0.000 0.452 198 Q N 0.619 120.378 119.800 -0.070 0.000 2.096 198 Q HA -0.225 4.115 4.340 -0.000 0.000 0.204 198 Q C 2.311 178.282 176.000 -0.048 0.000 0.982 198 Q CA 2.036 57.809 55.803 -0.050 0.000 0.850 198 Q CB -0.442 28.277 28.738 -0.033 0.000 0.901 198 Q HN 0.567 nan 8.270 nan 0.000 0.422 199 R N -0.538 119.937 120.500 -0.041 0.000 2.073 199 R HA -0.128 4.212 4.340 -0.000 0.000 0.234 199 R C 2.169 178.434 176.300 -0.059 0.000 1.134 199 R CA 1.560 57.643 56.100 -0.029 0.000 0.952 199 R CB -0.370 29.936 30.300 0.011 0.000 0.850 199 R HN 0.375 nan 8.270 nan 0.000 0.433 200 L N 0.685 121.848 121.223 -0.099 0.000 2.046 200 L HA -0.211 4.129 4.340 -0.000 0.000 0.208 200 L C 2.521 179.318 176.870 -0.122 0.000 1.077 200 L CA 1.241 55.995 54.840 -0.143 0.000 0.747 200 L CB -0.473 41.435 42.059 -0.251 0.000 0.896 200 L HN 0.291 nan 8.230 nan 0.000 0.432 201 L N -0.396 120.763 121.223 -0.107 0.000 2.046 201 L HA -0.197 4.143 4.340 -0.000 0.000 0.208 201 L C 2.351 179.188 176.870 -0.055 0.000 1.077 201 L CA 1.013 55.804 54.840 -0.081 0.000 0.747 201 L CB -0.669 41.350 42.059 -0.068 0.000 0.896 201 L HN 0.338 nan 8.230 nan 0.000 0.432 202 N N 0.265 118.937 118.700 -0.046 0.000 2.223 202 N HA -0.156 4.584 4.740 -0.000 0.000 0.185 202 N C 1.406 176.899 175.510 -0.029 0.000 1.016 202 N CA 1.068 54.100 53.050 -0.031 0.000 0.863 202 N CB -0.430 38.042 38.487 -0.024 0.000 0.983 202 N HN 0.300 nan 8.380 nan 0.000 0.429 203 N N -0.084 118.594 118.700 -0.036 0.000 2.461 203 N HA 0.075 4.815 4.740 -0.000 0.000 0.188 203 N C 0.775 176.268 175.510 -0.028 0.000 1.134 203 N CA 0.654 53.687 53.050 -0.029 0.000 0.878 203 N CB 0.079 38.546 38.487 -0.033 0.000 0.972 203 N HN 0.302 nan 8.380 nan 0.000 0.456 204 G N -0.098 108.681 108.800 -0.036 0.000 2.176 204 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.252 204 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.252 204 G C -0.047 174.832 174.900 -0.034 0.000 1.024 204 G CA 0.213 45.295 45.100 -0.031 0.000 0.755 204 G HN 0.187 nan 8.290 nan 0.000 0.507 205 V N 1.789 121.666 119.914 -0.063 0.000 2.614 205 V HA 0.346 4.466 4.120 -0.000 0.000 0.291 205 V C -0.837 175.201 176.094 -0.093 0.000 1.049 205 V CA -0.629 61.629 62.300 -0.071 0.000 1.038 205 V CB 1.365 33.105 31.823 -0.137 0.000 0.980 205 V HN 0.261 nan 8.190 nan 0.000 0.481 206 P HA 0.228 nan 4.420 nan 0.000 0.230 206 P C -0.355 176.944 177.300 -0.000 0.000 1.791 206 P CA 0.178 63.283 63.100 0.007 0.000 1.020 206 P CB 0.070 31.816 31.700 0.076 0.000 1.977 207 I N 1.111 121.552 120.570 -0.215 0.000 2.342 207 I HA 0.169 4.339 4.170 -0.000 0.000 0.291 207 I C 0.477 176.512 176.117 -0.137 0.000 1.010 207 I CA -0.331 60.786 61.300 -0.304 0.000 1.308 207 I CB 1.239 38.843 38.000 -0.660 0.000 1.400 207 I HN -0.079 nan 8.210 nan 0.000 0.488 208 D N 5.703 126.039 120.400 -0.107 0.000 2.355 208 D HA 0.249 4.889 4.640 -0.000 0.000 0.206 208 D C 0.520 176.661 176.300 -0.265 0.000 1.010 208 D CA 0.457 54.362 54.000 -0.158 0.000 0.875 208 D CB 0.971 41.687 40.800 -0.140 0.000 0.966 208 D HN 0.693 nan 8.370 nan 0.000 0.512 209 G N -0.446 108.115 108.800 -0.398 0.000 2.559 209 G HA2 0.451 4.411 3.960 -0.000 0.000 0.291 209 G HA3 0.451 4.411 3.960 -0.000 0.000 0.291 209 G C -1.801 173.121 174.900 0.037 0.000 1.424 209 G CA -0.470 44.450 45.100 -0.298 0.000 0.786 209 G HN -0.081 nan 8.290 nan 0.000 0.485 210 V N 0.026 120.135 119.914 0.325 0.000 2.540 210 V HA 0.774 4.894 4.120 -0.000 0.000 0.302 210 V C 0.733 177.089 176.094 0.437 0.000 1.035 210 V CA -0.125 62.397 62.300 0.370 0.000 0.873 210 V CB 1.664 33.620 31.823 0.222 0.000 0.992 210 V HN 1.179 nan 8.190 nan 0.000 0.428 211 G N 3.112 112.080 108.800 0.279 0.000 2.332 211 G HA2 0.629 4.589 3.960 -0.000 0.000 0.310 211 G HA3 0.629 4.589 3.960 -0.000 0.000 0.310 211 G C -1.204 173.667 174.900 -0.048 0.000 1.123 211 G CA -0.233 44.927 45.100 0.100 0.000 0.873 211 G HN 0.409 nan 8.290 nan 0.000 0.460 212 F N 0.960 120.905 119.950 -0.009 0.000 2.388 212 F HA 0.302 4.829 4.527 0.000 0.000 0.358 212 F C 1.633 177.370 175.800 -0.105 0.000 1.122 212 F CA -0.564 57.425 58.000 -0.020 0.000 1.056 212 F CB 2.245 41.248 39.000 0.004 0.000 1.155 212 F HN 0.546 nan 8.300 nan 0.000 0.461 213 Q N 2.870 122.670 119.800 -0.000 0.000 2.084 213 Q HA -0.128 4.212 4.340 -0.000 0.000 0.202 213 Q C 0.472 176.296 176.000 -0.293 0.000 0.978 213 Q CA 1.106 56.786 55.803 -0.205 0.000 0.844 213 Q CB -0.026 28.631 28.738 -0.135 0.000 0.898 213 Q HN 0.590 nan 8.270 nan 0.000 0.426 214 M N -0.063 119.494 119.600 -0.073 0.000 2.353 214 M HA -0.182 4.298 4.480 -0.000 0.000 0.202 214 M C -1.326 174.891 176.300 -0.137 0.000 0.434 214 M CA 0.902 56.164 55.300 -0.064 0.000 0.477 214 M CB -2.729 29.825 32.600 -0.078 0.000 1.592 214 M HN 0.311 nan 8.290 nan 0.000 0.895 215 H N -0.582 118.556 119.070 0.113 0.000 3.014 215 H HA 0.485 5.041 4.556 0.000 0.000 0.266 215 H C 0.653 176.043 175.328 0.103 0.000 1.455 215 H CA -0.303 55.825 56.048 0.134 0.000 1.402 215 H CB 0.323 30.217 29.762 0.219 0.000 1.626 215 H HN 0.408 nan 8.280 nan 0.000 0.520 216 V N 0.479 120.466 119.914 0.122 0.000 3.193 216 V HA 0.557 4.677 4.120 -0.000 0.000 0.320 216 V C 0.197 176.334 176.094 0.073 0.000 1.112 216 V CA -1.196 61.155 62.300 0.085 0.000 1.026 216 V CB 2.040 33.862 31.823 -0.001 0.000 1.128 216 V HN 0.454 nan 8.190 nan 0.000 0.452 217 M N 1.028 120.691 119.600 0.106 0.000 2.706 217 M HA 0.485 4.965 4.480 -0.000 0.000 0.304 217 M C 0.990 177.340 176.300 0.083 0.000 1.217 217 M CA -0.774 54.592 55.300 0.109 0.000 0.922 217 M CB 1.184 33.890 32.600 0.176 0.000 1.637 217 M HN 0.742 nan 8.290 nan 0.000 0.492 218 N N 1.265 120.023 118.700 0.096 0.000 2.104 218 N HA -0.164 4.576 4.740 -0.000 0.000 0.190 218 N C 0.686 176.244 175.510 0.079 0.000 1.024 218 N CA 1.551 54.650 53.050 0.081 0.000 0.853 218 N CB -0.087 38.467 38.487 0.112 0.000 1.008 218 N HN 0.669 nan 8.380 nan 0.000 0.424 219 D N -2.890 117.580 120.400 0.117 0.000 2.431 219 D HA -0.012 4.628 4.640 -0.000 0.000 0.213 219 D C -0.465 175.948 176.300 0.189 0.000 1.130 219 D CA -0.268 53.808 54.000 0.126 0.000 0.834 219 D CB -0.066 40.812 40.800 0.130 0.000 0.985 219 D HN 0.222 nan 8.370 nan 0.000 0.504 220 Y N 0.437 120.766 120.300 0.048 0.000 2.465 220 Y HA 0.327 4.877 4.550 0.000 0.000 0.323 220 Y C -2.901 173.031 175.900 0.053 0.000 1.191 220 Y CA -1.428 56.705 58.100 0.054 0.000 1.082 220 Y CB 1.988 40.492 38.460 0.074 0.000 1.334 220 Y HN -0.279 nan 8.280 nan 0.000 0.449 221 P HA 0.175 nan 4.420 nan 0.000 0.275 221 P C -0.629 176.436 177.300 -0.392 0.000 1.266 221 P CA -0.237 62.217 63.100 -1.076 0.000 0.793 221 P CB 0.777 32.003 31.700 -0.789 0.000 1.074 222 S N -0.089 115.444 115.700 -0.278 0.000 2.568 222 S HA 0.009 4.479 4.470 -0.000 0.000 0.282 222 S C 1.283 175.820 174.600 -0.104 0.000 1.338 222 S CA -0.384 57.746 58.200 -0.116 0.000 1.045 222 S CB -0.261 62.904 63.200 -0.059 0.000 0.873 222 S HN 0.363 nan 8.310 nan 0.000 0.516 223 I N 2.524 123.055 120.570 -0.065 0.000 2.361 223 I HA -0.027 4.143 4.170 -0.000 0.000 0.251 223 I C 2.354 178.437 176.117 -0.055 0.000 1.133 223 I CA 1.623 62.888 61.300 -0.058 0.000 1.413 223 I CB -1.237 36.741 38.000 -0.037 0.000 1.073 223 I HN 0.895 nan 8.210 nan 0.000 0.424 224 A N 0.299 123.093 122.820 -0.044 0.000 1.902 224 A HA -0.213 4.107 4.320 -0.000 0.000 0.217 224 A C 2.141 179.698 177.584 -0.046 0.000 1.181 224 A CA 1.936 53.950 52.037 -0.038 0.000 0.623 224 A CB -0.828 18.158 19.000 -0.024 0.000 0.818 224 A HN 0.522 nan 8.150 nan 0.000 0.443 225 N N 0.060 118.725 118.700 -0.058 0.000 2.142 225 N HA -0.065 4.675 4.740 -0.000 0.000 0.186 225 N C 1.676 177.147 175.510 -0.066 0.000 1.023 225 N CA 1.418 54.433 53.050 -0.058 0.000 0.852 225 N CB -0.404 38.036 38.487 -0.078 0.000 0.998 225 N HN 0.569 nan 8.380 nan 0.000 0.424 226 I N 0.824 121.340 120.570 -0.089 0.000 2.179 226 I HA -0.241 3.929 4.170 -0.000 0.000 0.242 226 I C 2.641 178.681 176.117 -0.129 0.000 1.088 226 I CA 0.958 62.195 61.300 -0.106 0.000 1.357 226 I CB -0.171 37.763 38.000 -0.109 0.000 1.051 226 I HN 0.101 nan 8.210 nan 0.000 0.409 227 R N 0.748 121.189 120.500 -0.098 0.000 2.075 227 R HA -0.191 4.149 4.340 -0.000 0.000 0.232 227 R C 2.325 178.572 176.300 -0.088 0.000 1.126 227 R CA 1.530 57.572 56.100 -0.097 0.000 0.963 227 R CB -0.095 30.166 30.300 -0.066 0.000 0.858 227 R HN 0.423 nan 8.270 nan 0.000 0.435 228 Q N -0.482 119.282 119.800 -0.059 0.000 2.124 228 Q HA -0.114 4.226 4.340 -0.000 0.000 0.202 228 Q C 2.097 178.083 176.000 -0.023 0.000 0.977 228 Q CA 1.530 57.312 55.803 -0.036 0.000 0.850 228 Q CB -0.065 28.660 28.738 -0.020 0.000 0.901 228 Q HN 0.413 nan 8.270 nan 0.000 0.429 229 A N 0.803 123.610 122.820 -0.021 0.000 1.902 229 A HA -0.197 4.123 4.320 -0.000 0.000 0.217 229 A C 2.055 179.661 177.584 0.037 0.000 1.181 229 A CA 1.420 53.490 52.037 0.054 0.000 0.623 229 A CB -0.480 18.593 19.000 0.122 0.000 0.818 229 A HN 0.289 nan 8.150 nan 0.000 0.443 230 M N -1.264 118.218 119.600 -0.196 0.000 2.117 230 M HA -0.199 4.280 4.480 -0.000 0.000 0.262 230 M C 2.521 178.778 176.300 -0.071 0.000 1.065 230 M CA 1.893 57.032 55.300 -0.268 0.000 1.114 230 M CB -0.383 31.967 32.600 -0.416 0.000 1.361 230 M HN 0.624 nan 8.290 nan 0.000 0.408 231 Q N 0.912 120.670 119.800 -0.069 0.000 2.124 231 Q HA -0.185 4.155 4.340 -0.000 0.000 0.202 231 Q C 1.750 177.747 176.000 -0.005 0.000 0.977 231 Q CA 1.472 57.248 55.803 -0.044 0.000 0.850 231 Q CB 0.120 28.829 28.738 -0.048 0.000 0.901 231 Q HN 0.453 nan 8.270 nan 0.000 0.429 232 K N -0.036 120.376 120.400 0.020 0.000 2.097 232 K HA -0.123 4.197 4.320 -0.000 0.000 0.206 232 K C 1.976 178.608 176.600 0.054 0.000 1.049 232 K CA 1.084 57.393 56.287 0.036 0.000 0.933 232 K CB 0.061 32.591 32.500 0.049 0.000 0.717 232 K HN 0.253 nan 8.250 nan 0.000 0.442 233 I N 0.589 121.219 120.570 0.101 0.000 2.333 233 I HA -0.168 4.002 4.170 -0.000 0.000 0.246 233 I C 2.258 178.417 176.117 0.069 0.000 1.106 233 I CA 1.024 62.394 61.300 0.116 0.000 1.411 233 I CB -0.934 37.213 38.000 0.245 0.000 1.082 233 I HN -0.097 nan 8.210 nan 0.000 0.420 234 V N 1.776 121.717 119.914 0.046 0.000 2.392 234 V HA -0.269 3.851 4.120 -0.000 0.000 0.249 234 V C 2.769 178.863 176.094 -0.000 0.000 1.059 234 V CA 1.836 64.140 62.300 0.007 0.000 1.051 234 V CB -1.138 30.666 31.823 -0.032 0.000 0.658 234 V HN 0.471 nan 8.190 nan 0.000 0.455 235 A N -0.586 122.234 122.820 0.001 0.000 2.121 235 A HA -0.048 4.271 4.320 -0.000 0.000 0.218 235 A C 2.070 179.653 177.584 -0.003 0.000 1.154 235 A CA 1.159 53.194 52.037 -0.004 0.000 0.679 235 A CB -0.468 18.531 19.000 -0.003 0.000 0.795 235 A HN 0.566 nan 8.150 nan 0.000 0.458 236 L N -1.066 120.158 121.223 0.002 0.000 2.478 236 L HA 0.073 4.413 4.340 -0.000 0.000 0.223 236 L C 1.046 177.909 176.870 -0.012 0.000 1.140 236 L CA 0.694 55.531 54.840 -0.005 0.000 0.842 236 L CB -0.120 41.935 42.059 -0.005 0.000 0.953 236 L HN 0.418 nan 8.230 nan 0.000 0.452 237 S N -1.369 114.325 115.700 -0.011 0.000 2.547 237 S HA 0.406 4.876 4.470 -0.000 0.000 0.270 237 S C -2.283 172.309 174.600 -0.013 0.000 1.150 237 S CA -0.897 57.294 58.200 -0.015 0.000 0.850 237 S CB 1.801 64.990 63.200 -0.019 0.000 1.118 237 S HN -0.183 nan 8.310 nan 0.000 0.461 238 P HA 0.154 nan 4.420 nan 0.000 0.245 238 P C 0.807 178.100 177.300 -0.012 0.000 1.206 238 P CA 0.745 63.837 63.100 -0.013 0.000 0.781 238 P CB 0.005 31.698 31.700 -0.011 0.000 0.994 239 T N -4.698 109.848 114.554 -0.012 0.000 2.992 239 T HA 0.149 4.499 4.350 -0.000 0.000 0.255 239 T C 0.493 175.188 174.700 -0.009 0.000 0.938 239 T CA -0.264 61.830 62.100 -0.009 0.000 0.895 239 T CB -0.763 68.100 68.868 -0.008 0.000 1.221 239 T HN -0.096 nan 8.240 nan 0.000 0.512 240 L N 3.183 124.398 121.223 -0.012 0.000 2.578 240 L HA 0.259 4.599 4.340 -0.000 0.000 0.279 240 L C 0.187 177.066 176.870 0.015 0.000 1.227 240 L CA 0.376 55.209 54.840 -0.011 0.000 0.900 240 L CB 0.085 42.139 42.059 -0.007 0.000 1.144 240 L HN 0.134 nan 8.230 nan 0.000 0.496 241 K N 5.376 125.793 120.400 0.027 0.000 2.126 241 K HA 0.477 4.797 4.320 -0.000 0.000 0.257 241 K C -0.775 175.945 176.600 0.201 0.000 1.007 241 K CA -0.783 55.565 56.287 0.101 0.000 0.928 241 K CB 1.078 33.672 32.500 0.158 0.000 1.013 241 K HN 0.463 nan 8.250 nan 0.000 0.473 242 I N 1.956 122.656 120.570 0.217 0.000 2.465 242 I HA 0.327 4.497 4.170 -0.000 0.000 0.291 242 I C -0.373 175.971 176.117 0.378 0.000 1.014 242 I CA -0.633 60.855 61.300 0.315 0.000 1.093 242 I CB 1.543 39.652 38.000 0.181 0.000 1.267 242 I HN 0.563 nan 8.210 nan 0.000 0.431 243 K N 6.256 126.861 120.400 0.342 0.000 2.443 243 K HA 0.620 4.940 4.320 -0.000 0.000 0.252 243 K C -1.355 175.264 176.600 0.031 0.000 0.933 243 K CA -0.565 55.768 56.287 0.077 0.000 0.792 243 K CB 2.195 34.493 32.500 -0.337 0.000 1.185 243 K HN 0.523 nan 8.250 nan 0.000 0.425 244 I N 4.383 124.873 120.570 -0.134 0.000 2.312 244 I HA 0.071 4.241 4.170 -0.000 0.000 0.291 244 I C 1.236 177.245 176.117 -0.180 0.000 1.031 244 I CA -0.169 61.048 61.300 -0.139 0.000 1.293 244 I CB 1.588 39.434 38.000 -0.258 0.000 1.403 244 I HN 0.850 nan 8.210 nan 0.000 0.484 245 T N 0.861 115.306 114.554 -0.182 0.000 3.023 245 T HA 0.188 4.538 4.350 -0.000 0.000 0.249 245 T C 0.761 175.357 174.700 -0.174 0.000 1.050 245 T CA 0.189 62.145 62.100 -0.240 0.000 1.088 245 T CB 0.143 68.838 68.868 -0.289 0.000 0.946 245 T HN 0.600 nan 8.240 nan 0.000 0.480 246 E N 0.962 121.008 120.200 -0.256 0.000 3.918 246 E HA 0.305 4.655 4.350 -0.000 0.000 0.183 246 E C -1.095 175.343 176.600 -0.270 0.000 1.021 246 E CA -0.479 55.735 56.400 -0.309 0.000 1.431 246 E CB 0.693 29.785 29.700 -1.013 0.000 1.140 246 E HN 0.207 nan 8.360 nan 0.000 0.435 247 L N 2.881 124.065 121.223 -0.065 0.000 2.499 247 L HA 0.145 4.485 4.340 -0.000 0.000 0.273 247 L C -0.563 176.408 176.870 0.167 0.000 1.195 247 L CA 0.726 55.554 54.840 -0.020 0.000 0.882 247 L CB 0.108 42.191 42.059 0.041 0.000 1.133 247 L HN 0.165 nan 8.230 nan 0.000 0.483 248 D N 3.006 123.490 120.400 0.140 0.000 2.623 248 D HA 0.518 5.158 4.640 -0.000 0.000 0.241 248 D C -1.482 174.867 176.300 0.080 0.000 1.241 248 D CA -0.565 53.587 54.000 0.254 0.000 0.788 248 D CB 1.511 42.570 40.800 0.431 0.000 1.413 248 D HN 0.225 nan 8.370 nan 0.000 0.429 249 V N 0.632 120.592 119.914 0.077 0.000 2.462 249 V HA 0.425 4.545 4.120 -0.000 0.000 0.288 249 V C -0.245 175.906 176.094 0.095 0.000 1.020 249 V CA -0.781 61.508 62.300 -0.018 0.000 0.857 249 V CB 1.263 32.945 31.823 -0.235 0.000 1.013 249 V HN 0.425 nan 8.190 nan 0.000 0.431 250 R N 3.046 123.580 120.500 0.057 0.000 2.298 250 R HA 0.329 4.669 4.340 -0.000 0.000 0.310 250 R C 0.670 177.073 176.300 0.172 0.000 1.068 250 R CA -0.549 55.600 56.100 0.081 0.000 0.957 250 R CB 1.026 31.270 30.300 -0.095 0.000 1.003 250 R HN 0.532 nan 8.270 nan 0.000 0.454 251 L N 1.801 123.188 121.223 0.273 0.000 2.093 251 L HA -0.100 4.240 4.340 -0.000 0.000 0.208 251 L C 0.565 177.622 176.870 0.312 0.000 1.085 251 L CA 1.575 56.601 54.840 0.310 0.000 0.755 251 L CB -0.400 41.897 42.059 0.396 0.000 0.904 251 L HN 0.523 nan 8.230 nan 0.000 0.435 252 N N 0.650 119.548 118.700 0.329 0.000 2.472 252 N HA 0.067 4.807 4.740 -0.000 0.000 0.277 252 N C -0.457 175.171 175.510 0.197 0.000 1.081 252 N CA -0.072 53.126 53.050 0.247 0.000 0.973 252 N CB 0.712 39.315 38.487 0.194 0.000 1.105 252 N HN -0.007 nan 8.380 nan 0.000 0.470 253 N N 3.259 122.020 118.700 0.101 0.000 2.558 253 N HA 0.324 5.064 4.740 -0.000 0.000 0.242 253 N C -2.077 173.387 175.510 -0.077 0.000 0.979 253 N CA -2.036 51.049 53.050 0.057 0.000 0.931 253 N CB 1.435 39.969 38.487 0.079 0.000 1.122 253 N HN 0.184 nan 8.380 nan 0.000 0.508 254 P HA -0.044 nan 4.420 nan 0.000 0.220 254 P C -0.029 176.967 177.300 -0.507 0.000 1.148 254 P CA 1.260 64.040 63.100 -0.534 0.000 0.803 254 P CB 0.067 31.161 31.700 -1.010 0.000 0.782 255 Y N -0.937 119.351 120.300 -0.020 0.000 2.555 255 Y HA 0.098 4.648 4.550 -0.000 0.000 0.259 255 Y C 1.160 177.015 175.900 -0.075 0.000 1.179 255 Y CA -0.484 57.584 58.100 -0.053 0.000 1.230 255 Y CB -0.775 37.637 38.460 -0.081 0.000 1.146 255 Y HN 0.045 nan 8.280 nan 0.000 0.526 256 D N -1.421 118.996 120.400 0.028 0.000 2.328 256 D HA 0.135 4.775 4.640 -0.000 0.000 0.221 256 D C 1.850 178.151 176.300 0.003 0.000 1.072 256 D CA 0.566 54.570 54.000 0.007 0.000 0.850 256 D CB -0.193 40.611 40.800 0.007 0.000 0.922 256 D HN 0.248 nan 8.370 nan 0.000 0.516 257 G N 0.455 109.257 108.800 0.003 0.000 2.168 257 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.257 257 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.257 257 G C -0.038 174.854 174.900 -0.013 0.000 0.997 257 G CA 0.198 45.297 45.100 -0.001 0.000 0.708 257 G HN 0.629 nan 8.290 nan 0.000 0.520 258 N N -0.216 118.470 118.700 -0.023 0.000 2.549 258 N HA 0.478 5.218 4.740 -0.000 0.000 0.281 258 N C 0.991 176.472 175.510 -0.047 0.000 1.084 258 N CA 0.109 53.140 53.050 -0.031 0.000 0.862 258 N CB 1.402 39.873 38.487 -0.026 0.000 1.333 258 N HN 0.244 nan 8.380 nan 0.000 0.523 259 S N 0.802 116.473 115.700 -0.048 0.000 2.548 259 S HA 0.051 4.521 4.470 -0.000 0.000 0.215 259 S C 1.123 175.684 174.600 -0.066 0.000 0.976 259 S CA 0.042 58.206 58.200 -0.060 0.000 0.908 259 S CB 0.094 63.263 63.200 -0.053 0.000 0.781 259 S HN 0.337 nan 8.310 nan 0.000 0.519 260 S N 3.276 118.939 115.700 -0.062 0.000 2.489 260 S HA 0.025 4.495 4.470 -0.000 0.000 0.228 260 S C 1.249 175.785 174.600 -0.106 0.000 0.995 260 S CA 0.713 58.871 58.200 -0.070 0.000 0.934 260 S CB -0.308 62.861 63.200 -0.053 0.000 0.771 260 S HN 0.879 nan 8.310 nan 0.000 0.522 261 N N 1.425 120.056 118.700 -0.116 0.000 2.321 261 N HA 0.108 4.848 4.740 -0.000 0.000 0.242 261 N C -1.065 174.308 175.510 -0.228 0.000 1.141 261 N CA -0.312 52.633 53.050 -0.174 0.000 0.864 261 N CB -0.388 38.032 38.487 -0.112 0.000 1.100 261 N HN 0.009 nan 8.380 nan 0.000 0.510 262 N N 0.679 119.264 118.700 -0.193 0.000 2.421 262 N HA 0.183 4.923 4.740 -0.000 0.000 0.285 262 N C -1.164 174.253 175.510 -0.155 0.000 1.027 262 N CA -0.354 52.611 53.050 -0.140 0.000 0.918 262 N CB 0.602 39.041 38.487 -0.079 0.000 1.152 262 N HN 0.137 nan 8.380 nan 0.000 0.485 263 Y N 0.321 120.667 120.300 0.077 0.000 2.452 263 Y HA 0.106 4.656 4.550 -0.000 0.000 0.348 263 Y C 1.828 177.795 175.900 0.111 0.000 0.985 263 Y CA -0.336 57.840 58.100 0.126 0.000 1.214 263 Y CB 0.561 39.169 38.460 0.246 0.000 1.136 263 Y HN 0.530 nan 8.280 nan 0.000 0.523 264 T N -1.627 113.040 114.554 0.188 0.000 3.069 264 T HA 0.123 4.473 4.350 -0.000 0.000 0.252 264 T C 0.280 175.025 174.700 0.076 0.000 1.053 264 T CA -0.226 61.920 62.100 0.078 0.000 0.964 264 T CB 0.033 68.913 68.868 0.020 0.000 1.005 264 T HN 0.445 nan 8.240 nan 0.000 0.532 265 N N 0.790 119.586 118.700 0.159 0.000 2.284 265 N HA 0.336 5.076 4.740 -0.000 0.000 0.300 265 N C 0.703 176.346 175.510 0.222 0.000 1.047 265 N CA -0.492 52.634 53.050 0.128 0.000 0.821 265 N CB 2.166 40.716 38.487 0.105 0.000 1.337 265 N HN -0.077 nan 8.380 nan 0.000 0.482 266 R N 2.749 123.327 120.500 0.129 0.000 2.139 266 R HA -0.019 4.321 4.340 -0.000 0.000 0.243 266 R C 0.835 177.345 176.300 0.350 0.000 1.145 266 R CA 1.707 57.921 56.100 0.189 0.000 0.976 266 R CB -0.331 29.989 30.300 0.034 0.000 0.866 266 R HN 0.592 nan 8.270 nan 0.000 0.449 267 N N 0.685 119.502 118.700 0.195 0.000 2.459 267 N HA -0.100 4.640 4.740 -0.000 0.000 0.181 267 N C 0.626 176.160 175.510 0.040 0.000 1.046 267 N CA 1.089 54.209 53.050 0.117 0.000 0.904 267 N CB -0.137 38.392 38.487 0.069 0.000 0.964 267 N HN 0.306 nan 8.380 nan 0.000 0.444 268 D N 0.080 120.514 120.400 0.056 0.000 2.123 268 D HA -0.066 4.574 4.640 -0.000 0.000 0.196 268 D C 0.826 176.854 176.300 -0.454 0.000 0.992 268 D CA 0.944 54.880 54.000 -0.107 0.000 0.833 268 D CB -0.023 40.795 40.800 0.029 0.000 0.954 268 D HN 0.231 nan 8.370 nan 0.000 0.455 269 c N 0.235 118.303 118.600 -0.887 0.000 2.849 269 c HA 0.580 5.150 4.570 -0.000 0.000 0.271 269 c C 1.954 175.434 174.090 -1.016 0.000 1.519 269 c CA -0.735 54.812 56.329 -1.303 0.000 1.783 269 c CB -0.510 40.654 42.510 -2.243 0.000 2.869 269 c HN 0.263 nan 8.230 nan 0.000 0.527 270 A N 0.393 122.970 122.820 -0.406 0.000 1.969 270 A HA 0.042 4.362 4.320 -0.000 0.000 0.218 270 A C 1.786 179.306 177.584 -0.107 0.000 1.169 270 A CA 2.169 54.153 52.037 -0.089 0.000 0.635 270 A CB 0.006 19.046 19.000 0.066 0.000 0.810 270 A HN 0.391 nan 8.150 nan 0.000 0.445 271 V N -1.778 118.041 119.914 -0.158 0.000 3.102 271 V HA 0.208 4.328 4.120 -0.000 0.000 0.225 271 V C 0.470 176.481 176.094 -0.139 0.000 1.301 271 V CA 1.003 63.238 62.300 -0.109 0.000 1.308 271 V CB 0.526 32.309 31.823 -0.067 0.000 1.129 271 V HN 0.693 nan 8.190 nan 0.000 0.502 272 S N 0.530 116.126 115.700 -0.173 0.000 2.605 272 S HA 0.607 5.077 4.470 -0.000 0.000 0.279 272 S C -0.944 173.541 174.600 -0.191 0.000 1.166 272 S CA -0.406 57.697 58.200 -0.162 0.000 0.975 272 S CB 1.145 64.288 63.200 -0.096 0.000 1.111 272 S HN 0.971 nan 8.310 nan 0.000 0.465 273 c N 1.362 119.827 118.600 -0.225 0.000 3.241 273 c HA 0.942 5.512 4.570 -0.000 0.000 0.312 273 c C 1.860 175.890 174.090 -0.100 0.000 1.350 273 c CA -0.168 56.047 56.329 -0.190 0.000 1.415 273 c CB 0.826 43.089 42.510 -0.411 0.000 1.770 273 c HN 1.513 nan 8.230 nan 0.000 0.466 274 A N 1.143 123.973 122.820 0.018 0.000 1.948 274 A HA 0.117 4.437 4.320 -0.000 0.000 0.220 274 A C 2.145 179.769 177.584 0.066 0.000 1.177 274 A CA 2.760 54.831 52.037 0.057 0.000 0.636 274 A CB -1.436 17.624 19.000 0.100 0.000 0.815 274 A HN 1.946 nan 8.150 nan 0.000 0.449 275 G N -0.319 108.540 108.800 0.098 0.000 2.432 275 G HA2 -0.144 3.816 3.960 -0.000 0.000 0.219 275 G HA3 -0.144 3.816 3.960 -0.000 0.000 0.219 275 G C 1.500 176.401 174.900 0.001 0.000 1.135 275 G CA 1.031 46.190 45.100 0.099 0.000 0.767 275 G HN 0.473 nan 8.290 nan 0.000 0.550 276 L N 0.430 121.592 121.223 -0.101 0.000 2.093 276 L HA -0.009 4.331 4.340 -0.000 0.000 0.208 276 L C 2.392 179.258 176.870 -0.007 0.000 1.085 276 L CA 0.961 55.760 54.840 -0.069 0.000 0.755 276 L CB -0.311 41.661 42.059 -0.144 0.000 0.904 276 L HN 0.066 nan 8.230 nan 0.000 0.435 277 D N -0.039 120.357 120.400 -0.008 0.000 2.117 277 D HA -0.187 4.453 4.640 -0.000 0.000 0.198 277 D C 2.239 178.561 176.300 0.037 0.000 0.982 277 D CA 0.986 54.993 54.000 0.012 0.000 0.828 277 D CB -0.113 40.693 40.800 0.009 0.000 0.967 277 D HN 0.091 nan 8.370 nan 0.000 0.464 278 R N 1.186 121.716 120.500 0.050 0.000 2.092 278 R HA -0.074 4.266 4.340 -0.000 0.000 0.231 278 R C 2.033 178.382 176.300 0.082 0.000 1.119 278 R CA 1.310 57.448 56.100 0.064 0.000 0.970 278 R CB -0.570 29.775 30.300 0.075 0.000 0.864 278 R HN 0.188 nan 8.270 nan 0.000 0.440 279 Q N 0.317 120.177 119.800 0.101 0.000 2.124 279 Q HA -0.213 4.127 4.340 -0.000 0.000 0.202 279 Q C 1.857 177.987 176.000 0.216 0.000 0.977 279 Q CA 1.927 57.827 55.803 0.162 0.000 0.850 279 Q CB -0.100 28.754 28.738 0.193 0.000 0.901 279 Q HN 0.365 nan 8.270 nan 0.000 0.429 280 K N -0.183 120.299 120.400 0.136 0.000 2.032 280 K HA -0.177 4.143 4.320 -0.000 0.000 0.209 280 K C 1.912 178.579 176.600 0.110 0.000 1.048 280 K CA 1.387 57.740 56.287 0.111 0.000 0.927 280 K CB -0.278 32.251 32.500 0.048 0.000 0.712 280 K HN 0.254 nan 8.250 nan 0.000 0.441 281 A N 1.097 123.965 122.820 0.079 0.000 1.972 281 A HA -0.154 4.166 4.320 -0.000 0.000 0.219 281 A C 2.071 179.692 177.584 0.062 0.000 1.169 281 A CA 1.534 53.607 52.037 0.060 0.000 0.635 281 A CB -0.463 18.563 19.000 0.043 0.000 0.810 281 A HN 0.324 nan 8.150 nan 0.000 0.446 282 R N -1.198 119.343 120.500 0.069 0.000 2.062 282 R HA -0.067 4.273 4.340 -0.000 0.000 0.229 282 R C 1.751 178.051 176.300 0.000 0.000 1.128 282 R CA 1.717 57.827 56.100 0.017 0.000 0.960 282 R CB -1.077 29.216 30.300 -0.011 0.000 0.855 282 R HN 0.517 nan 8.270 nan 0.000 0.432 283 Y N 0.909 121.219 120.300 0.017 0.000 2.165 283 Y HA -0.213 4.337 4.550 -0.000 0.000 0.286 283 Y C 2.365 178.261 175.900 -0.006 0.000 1.155 283 Y CA 2.262 60.366 58.100 0.006 0.000 1.164 283 Y CB -0.256 38.205 38.460 0.001 0.000 0.978 283 Y HN 0.136 nan 8.280 nan 0.000 0.513 284 K N 0.753 121.243 120.400 0.150 0.000 2.026 284 K HA -0.254 4.066 4.320 -0.000 0.000 0.208 284 K C 2.067 178.699 176.600 0.054 0.000 1.048 284 K CA 1.952 58.286 56.287 0.078 0.000 0.929 284 K CB -0.210 32.320 32.500 0.051 0.000 0.713 284 K HN 0.580 nan 8.250 nan 0.000 0.439 285 E N 0.413 120.636 120.200 0.038 0.000 2.150 285 E HA -0.182 4.168 4.350 -0.000 0.000 0.193 285 E C 2.008 178.614 176.600 0.010 0.000 0.985 285 E CA 1.094 57.505 56.400 0.018 0.000 0.814 285 E CB -0.295 29.409 29.700 0.007 0.000 0.752 285 E HN 0.387 nan 8.360 nan 0.000 0.466 286 I N 1.313 121.884 120.570 0.001 0.000 2.252 286 I HA -0.212 3.958 4.170 -0.000 0.000 0.245 286 I C 2.430 178.565 176.117 0.029 0.000 1.102 286 I CA 0.669 61.961 61.300 -0.014 0.000 1.385 286 I CB -0.071 37.890 38.000 -0.064 0.000 1.064 286 I HN 0.029 nan 8.210 nan 0.000 0.414 287 V N 0.440 120.387 119.914 0.056 0.000 2.343 287 V HA -0.309 3.811 4.120 -0.000 0.000 0.247 287 V C 2.412 178.579 176.094 0.121 0.000 1.051 287 V CA 1.807 64.164 62.300 0.094 0.000 1.036 287 V CB -0.765 31.115 31.823 0.095 0.000 0.654 287 V HN 0.464 nan 8.190 nan 0.000 0.451 288 Q N -0.234 119.612 119.800 0.075 0.000 2.096 288 Q HA -0.220 4.120 4.340 -0.000 0.000 0.204 288 Q C 2.452 178.478 176.000 0.044 0.000 0.982 288 Q CA 1.905 57.742 55.803 0.057 0.000 0.850 288 Q CB -0.458 28.299 28.738 0.032 0.000 0.901 288 Q HN 0.686 nan 8.270 nan 0.000 0.422 289 A N 0.358 123.197 122.820 0.032 0.000 1.865 289 A HA -0.257 4.063 4.320 -0.000 0.000 0.217 289 A C 1.921 179.509 177.584 0.007 0.000 1.191 289 A CA 1.654 53.692 52.037 0.001 0.000 0.623 289 A CB -1.078 17.910 19.000 -0.020 0.000 0.826 289 A HN 0.540 nan 8.150 nan 0.000 0.444 290 Y N 0.523 120.768 120.300 -0.092 0.000 2.128 290 Y HA -0.209 4.341 4.550 0.000 0.000 0.284 290 Y C 2.015 177.850 175.900 -0.109 0.000 1.154 290 Y CA 2.083 60.110 58.100 -0.122 0.000 1.149 290 Y CB -0.348 38.041 38.460 -0.118 0.000 0.976 290 Y HN 0.223 nan 8.280 nan 0.000 0.505 291 L N -0.146 121.097 121.223 0.033 0.000 2.083 291 L HA -0.204 4.136 4.340 -0.000 0.000 0.209 291 L C 2.240 179.054 176.870 -0.093 0.000 1.083 291 L CA 1.747 56.563 54.840 -0.040 0.000 0.752 291 L CB -0.484 41.629 42.059 0.090 0.000 0.899 291 L HN 0.285 nan 8.230 nan 0.000 0.433 292 E N -0.530 119.630 120.200 -0.066 0.000 2.216 292 E HA -0.129 4.221 4.350 -0.000 0.000 0.192 292 E C 1.978 178.521 176.600 -0.095 0.000 0.988 292 E CA 1.265 57.627 56.400 -0.063 0.000 0.834 292 E CB 0.235 29.912 29.700 -0.038 0.000 0.772 292 E HN 0.489 nan 8.360 nan 0.000 0.479 293 V N -2.464 117.367 119.914 -0.139 0.000 3.621 293 V HA 0.164 4.284 4.120 -0.000 0.000 0.263 293 V C 0.642 176.616 176.094 -0.199 0.000 1.272 293 V CA -0.282 61.932 62.300 -0.144 0.000 1.080 293 V CB 0.645 32.390 31.823 -0.131 0.000 0.816 293 V HN -0.156 nan 8.190 nan 0.000 0.451 294 V N 4.547 124.267 119.914 -0.323 0.000 2.313 294 V HA 0.489 4.609 4.120 -0.000 0.000 0.278 294 V C -2.312 173.594 176.094 -0.313 0.000 1.017 294 V CA -1.751 60.312 62.300 -0.395 0.000 0.823 294 V CB 1.211 32.566 31.823 -0.780 0.000 1.010 294 V HN 0.321 nan 8.190 nan 0.000 0.443 295 P HA 0.333 nan 4.420 nan 0.000 0.276 295 P C -2.818 174.421 177.300 -0.102 0.000 1.244 295 P CA -2.248 60.780 63.100 -0.121 0.000 0.801 295 P CB 0.186 31.841 31.700 -0.075 0.000 1.006 296 P HA 0.040 nan 4.420 nan 0.000 0.264 296 P C 1.072 178.374 177.300 0.003 0.000 1.183 296 P CA 1.529 64.629 63.100 0.001 0.000 0.763 296 P CB -0.286 31.432 31.700 0.029 0.000 0.807 297 G N 3.156 111.971 108.800 0.025 0.000 2.234 297 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.235 297 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.235 297 G C 0.843 175.755 174.900 0.020 0.000 0.997 297 G CA -0.213 44.905 45.100 0.030 0.000 0.623 297 G HN 0.548 nan 8.290 nan 0.000 0.514 298 R N -0.155 120.335 120.500 -0.017 0.000 2.543 298 R HA 0.250 4.590 4.340 -0.000 0.000 0.323 298 R C 0.469 176.743 176.300 -0.043 0.000 1.002 298 R CA -0.442 55.646 56.100 -0.021 0.000 1.106 298 R CB 0.584 30.857 30.300 -0.044 0.000 1.280 298 R HN 0.193 nan 8.270 nan 0.000 0.549 299 R N 0.389 120.845 120.500 -0.072 0.000 2.205 299 R HA 0.159 4.499 4.340 -0.000 0.000 0.342 299 R C 1.034 177.374 176.300 0.066 0.000 1.058 299 R CA -0.150 55.869 56.100 -0.135 0.000 0.904 299 R CB 1.074 31.105 30.300 -0.449 0.000 1.089 299 R HN 0.150 nan 8.270 nan 0.000 0.471 300 G N 1.580 110.487 108.800 0.179 0.000 2.712 300 G HA2 0.265 4.225 3.960 -0.000 0.000 0.212 300 G HA3 0.265 4.225 3.960 -0.000 0.000 0.212 300 G C 0.526 175.500 174.900 0.123 0.000 1.142 300 G CA 0.577 45.815 45.100 0.229 0.000 0.789 300 G HN 0.820 nan 8.290 nan 0.000 0.535 301 G N -0.973 107.891 108.800 0.107 0.000 2.326 301 G HA2 0.200 4.160 3.960 -0.000 0.000 0.413 301 G HA3 0.200 4.160 3.960 -0.000 0.000 0.413 301 G C -1.421 173.419 174.900 -0.099 0.000 1.444 301 G CA -0.950 44.229 45.100 0.132 0.000 1.002 301 G HN 0.347 nan 8.290 nan 0.000 0.649 302 I N 0.789 121.364 120.570 0.008 0.000 2.466 302 I HA 0.554 4.724 4.170 -0.000 0.000 0.289 302 I C -0.146 175.976 176.117 0.009 0.000 1.026 302 I CA -0.654 60.577 61.300 -0.115 0.000 1.078 302 I CB 2.522 40.457 38.000 -0.109 0.000 1.249 302 I HN 0.459 nan 8.210 nan 0.000 0.429 303 T N 5.419 119.959 114.554 -0.024 0.000 2.848 303 T HA 0.480 4.830 4.350 -0.000 0.000 0.285 303 T C -0.354 174.395 174.700 0.082 0.000 0.995 303 T CA -0.554 61.559 62.100 0.021 0.000 0.970 303 T CB 2.025 70.872 68.868 -0.035 0.000 0.976 303 T HN 0.382 nan 8.240 nan 0.000 0.441 304 V N 0.757 120.739 119.914 0.114 0.000 2.539 304 V HA 0.532 4.652 4.120 -0.000 0.000 0.292 304 V C 0.033 176.231 176.094 0.173 0.000 1.045 304 V CA -1.073 61.343 62.300 0.195 0.000 0.945 304 V CB 1.517 33.495 31.823 0.258 0.000 0.993 304 V HN 1.014 nan 8.190 nan 0.000 0.464 305 W N 5.076 126.402 121.300 0.043 0.000 1.496 305 W HA 0.567 5.226 4.660 -0.000 0.000 0.422 305 W C 0.514 177.068 176.519 0.059 0.000 0.638 305 W CA 0.627 57.991 57.345 0.030 0.000 2.105 305 W CB 0.074 29.618 29.460 0.140 0.000 1.639 305 W HN 1.273 nan 8.180 nan 0.000 0.304 306 G N 0.930 109.598 108.800 -0.220 0.000 2.357 306 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.643 306 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.643 306 G C -0.129 174.713 174.900 -0.098 0.000 1.358 306 G CA -0.716 44.249 45.100 -0.224 0.000 0.986 306 G HN 0.169 nan 8.290 nan 0.000 0.620 307 I N 0.912 121.417 120.570 -0.108 0.000 2.368 307 I HA 0.409 4.579 4.170 -0.000 0.000 0.238 307 I C 1.711 177.911 176.117 0.140 0.000 1.076 307 I CA 1.309 62.601 61.300 -0.014 0.000 1.397 307 I CB -0.216 37.700 38.000 -0.139 0.000 1.141 307 I HN 0.825 nan 8.210 nan 0.000 0.430 308 A N 0.212 123.063 122.820 0.052 0.000 2.355 308 A HA 0.296 4.616 4.320 -0.000 0.000 0.324 308 A C 0.178 177.793 177.584 0.051 0.000 1.117 308 A CA -0.551 51.547 52.037 0.101 0.000 0.785 308 A CB 0.853 19.869 19.000 0.027 0.000 1.254 308 A HN 0.183 nan 8.150 nan 0.000 0.453 309 D N 1.743 122.208 120.400 0.108 0.000 2.154 309 D HA -0.158 4.482 4.640 -0.000 0.000 0.190 309 D C -0.715 175.449 176.300 -0.227 0.000 1.003 309 D CA 2.420 56.486 54.000 0.110 0.000 0.849 309 D CB -1.131 39.847 40.800 0.298 0.000 0.942 309 D HN 0.470 nan 8.370 nan 0.000 0.446 310 P HA -0.092 nan 4.420 nan 0.000 0.225 310 P C 0.466 177.421 177.300 -0.575 0.000 1.148 310 P CA 1.147 63.515 63.100 -1.219 0.000 0.779 310 P CB 0.060 31.310 31.700 -0.750 0.000 0.780 311 D N -0.607 119.628 120.400 -0.275 0.000 2.277 311 D HA -0.027 4.613 4.640 -0.000 0.000 0.208 311 D C 1.009 177.288 176.300 -0.034 0.000 0.962 311 D CA 0.612 54.526 54.000 -0.143 0.000 0.865 311 D CB -0.481 40.244 40.800 -0.126 0.000 0.939 311 D HN 0.121 nan 8.370 nan 0.000 0.510 312 S N 1.185 116.902 115.700 0.029 0.000 2.562 312 S HA -0.001 4.469 4.470 -0.000 0.000 0.281 312 S C 1.339 176.106 174.600 0.279 0.000 1.333 312 S CA -0.799 57.527 58.200 0.210 0.000 1.052 312 S CB 0.423 63.759 63.200 0.226 0.000 0.884 312 S HN 0.370 nan 8.310 nan 0.000 0.506 313 W N 5.457 126.832 121.300 0.126 0.000 2.468 313 W HA 0.009 4.669 4.660 -0.000 0.000 0.262 313 W C 0.156 176.742 176.519 0.111 0.000 1.241 313 W CA 0.494 57.910 57.345 0.117 0.000 1.232 313 W CB -0.939 28.607 29.460 0.144 0.000 1.124 313 W HN 0.574 nan 8.180 nan 0.000 0.597 314 L N 0.137 121.179 121.223 -0.302 0.000 2.910 314 L HA 0.092 4.432 4.340 -0.000 0.000 0.252 314 L C 1.839 178.690 176.870 -0.031 0.000 1.195 314 L CA -0.486 54.128 54.840 -0.376 0.000 1.003 314 L CB -0.782 40.879 42.059 -0.663 0.000 1.328 314 L HN -0.232 nan 8.230 nan 0.000 0.540 315 Y N 2.023 122.265 120.300 -0.097 0.000 2.256 315 Y HA -0.162 4.388 4.550 -0.000 0.000 0.288 315 Y C 1.357 177.141 175.900 -0.193 0.000 1.155 315 Y CA 1.046 59.064 58.100 -0.137 0.000 1.203 315 Y CB 0.096 38.501 38.460 -0.093 0.000 0.980 315 Y HN 0.252 nan 8.280 nan 0.000 0.530 316 T N -0.035 114.459 114.554 -0.100 0.000 2.893 316 T HA 0.510 4.860 4.350 -0.000 0.000 0.293 316 T C -1.216 173.430 174.700 -0.089 0.000 1.027 316 T CA -0.640 61.337 62.100 -0.205 0.000 0.988 316 T CB 2.095 70.845 68.868 -0.196 0.000 1.043 316 T HN 0.406 nan 8.240 nan 0.000 0.461 317 H N 1.230 120.174 119.070 -0.209 0.000 3.085 317 H HA 0.355 4.911 4.556 0.000 0.000 0.356 317 H C -0.730 174.505 175.328 -0.156 0.000 1.178 317 H CA -0.914 55.021 56.048 -0.189 0.000 1.214 317 H CB 0.991 30.605 29.762 -0.248 0.000 1.881 317 H HN 0.579 nan 8.280 nan 0.000 0.538 318 Q N 1.972 121.695 119.800 -0.129 0.000 2.434 318 Q HA -0.267 4.073 4.340 -0.000 0.000 0.299 318 Q C -0.090 175.778 176.000 -0.220 0.000 1.286 318 Q CA 1.073 56.780 55.803 -0.160 0.000 0.872 318 Q CB -1.705 26.917 28.738 -0.193 0.000 1.193 318 Q HN 0.935 nan 8.270 nan 0.000 0.466 319 N N -1.165 117.420 118.700 -0.191 0.000 2.721 319 N HA -0.237 4.503 4.740 -0.000 0.000 0.249 319 N C -0.498 174.876 175.510 -0.225 0.000 1.072 319 N CA 1.239 54.184 53.050 -0.175 0.000 0.710 319 N CB -0.737 37.679 38.487 -0.117 0.000 0.993 319 N HN 0.403 nan 8.380 nan 0.000 0.547 320 L N 0.019 121.035 121.223 -0.345 0.000 2.370 320 L HA 0.581 4.921 4.340 -0.000 0.000 0.266 320 L C -2.124 174.478 176.870 -0.447 0.000 1.002 320 L CA -1.761 52.862 54.840 -0.361 0.000 0.818 320 L CB 2.480 44.296 42.059 -0.404 0.000 1.325 320 L HN -0.189 nan 8.230 nan 0.000 0.418 321 P HA 0.192 nan 4.420 nan 0.000 0.274 321 P C -1.429 175.361 177.300 -0.849 0.000 1.231 321 P CA -0.045 62.626 63.100 -0.715 0.000 0.790 321 P CB 1.653 32.922 31.700 -0.718 0.000 0.951 322 D N 0.496 120.273 120.400 -1.039 0.000 2.643 322 D HA 0.346 4.986 4.640 -0.000 0.000 0.283 322 D C -1.220 174.656 176.300 -0.707 0.000 1.242 322 D CA -0.154 53.434 54.000 -0.687 0.000 0.863 322 D CB 1.485 42.306 40.800 0.035 0.000 1.382 322 D HN 0.393 nan 8.370 nan 0.000 0.444 323 W N 1.712 123.075 121.300 0.106 0.000 1.949 323 W HA 0.243 4.903 4.660 -0.000 0.000 0.299 323 W C -2.345 174.273 176.519 0.165 0.000 0.959 323 W CA -1.086 56.347 57.345 0.147 0.000 1.665 323 W CB 1.405 30.908 29.460 0.071 0.000 1.829 323 W HN 0.173 nan 8.180 nan 0.000 0.375 324 P HA 0.045 nan 4.420 nan 0.000 0.251 324 P C 0.655 178.179 177.300 0.373 0.000 1.223 324 P CA 1.058 64.339 63.100 0.301 0.000 0.796 324 P CB 1.000 32.831 31.700 0.219 0.000 1.068 325 L N -1.984 119.437 121.223 0.330 0.000 2.293 325 L HA 0.365 4.705 4.340 -0.000 0.000 0.264 325 L C 1.552 178.507 176.870 0.141 0.000 1.029 325 L CA -1.025 53.988 54.840 0.289 0.000 0.897 325 L CB 0.672 42.887 42.059 0.260 0.000 1.497 325 L HN -0.320 nan 8.230 nan 0.000 0.495 326 L N -0.612 120.648 121.223 0.061 0.000 2.375 326 L HA 0.149 4.489 4.340 -0.000 0.000 0.215 326 L C -0.303 176.338 176.870 -0.383 0.000 1.108 326 L CA 0.710 55.430 54.840 -0.199 0.000 0.830 326 L CB 0.039 41.987 42.059 -0.184 0.000 0.959 326 L HN 0.243 nan 8.230 nan 0.000 0.457 327 F N -0.094 119.903 119.950 0.079 0.000 2.579 327 F HA 0.307 4.834 4.527 -0.000 0.000 0.324 327 F C 0.483 176.323 175.800 0.067 0.000 1.058 327 F CA -1.276 56.753 58.000 0.049 0.000 0.944 327 F CB 1.042 40.063 39.000 0.035 0.000 1.245 327 F HN -0.085 nan 8.300 nan 0.000 0.477 328 N N -0.555 118.283 118.700 0.230 0.000 2.681 328 N HA 0.205 4.945 4.740 -0.000 0.000 0.311 328 N C 0.033 175.632 175.510 0.149 0.000 1.303 328 N CA -0.541 52.621 53.050 0.188 0.000 0.926 328 N CB -0.042 38.533 38.487 0.147 0.000 1.136 328 N HN 0.490 nan 8.380 nan 0.000 0.592 329 D N -1.080 119.407 120.400 0.146 0.000 2.182 329 D HA -0.110 4.530 4.640 -0.000 0.000 0.201 329 D C 0.458 176.791 176.300 0.055 0.000 0.986 329 D CA 1.173 55.225 54.000 0.086 0.000 0.847 329 D CB -0.220 40.657 40.800 0.129 0.000 0.942 329 D HN 0.453 nan 8.370 nan 0.000 0.467 330 N N 0.534 119.276 118.700 0.069 0.000 2.383 330 N HA 0.024 4.764 4.740 -0.000 0.000 0.192 330 N C 0.232 175.768 175.510 0.044 0.000 1.141 330 N CA 0.103 53.180 53.050 0.046 0.000 0.851 330 N CB 0.601 39.114 38.487 0.044 0.000 0.976 330 N HN 0.047 nan 8.380 nan 0.000 0.465 331 L N -0.020 121.242 121.223 0.065 0.000 4.040 331 L HA -0.226 4.114 4.340 -0.000 0.000 0.410 331 L C -0.258 176.700 176.870 0.145 0.000 1.187 331 L CA 1.171 56.046 54.840 0.058 0.000 0.956 331 L CB -1.761 40.271 42.059 -0.045 0.000 2.022 331 L HN 0.297 nan 8.230 nan 0.000 0.897 332 Q N 0.626 120.545 119.800 0.198 0.000 2.226 332 Q HA 0.514 4.854 4.340 -0.000 0.000 0.256 332 Q C -1.912 174.206 176.000 0.198 0.000 0.962 332 Q CA -1.693 54.226 55.803 0.193 0.000 0.887 332 Q CB 1.542 30.320 28.738 0.066 0.000 1.282 332 Q HN 0.092 nan 8.270 nan 0.000 0.449 333 P HA 0.134 nan 4.420 nan 0.000 0.275 333 P C -0.706 176.432 177.300 -0.270 0.000 1.227 333 P CA -0.000 62.803 63.100 -0.494 0.000 0.781 333 P CB 1.112 32.379 31.700 -0.722 0.000 0.906 334 K N 3.653 123.899 120.400 -0.258 0.000 2.210 334 K HA 0.355 4.675 4.320 -0.000 0.000 0.236 334 K C -1.668 174.884 176.600 -0.081 0.000 1.016 334 K CA -1.992 54.221 56.287 -0.122 0.000 0.913 334 K CB 0.041 32.491 32.500 -0.083 0.000 1.141 334 K HN 0.096 nan 8.250 nan 0.000 0.462 335 P HA -0.258 nan 4.420 nan 0.000 0.216 335 P C 0.819 178.104 177.300 -0.025 0.000 1.150 335 P CA 1.583 64.670 63.100 -0.022 0.000 0.843 335 P CB 0.034 31.724 31.700 -0.015 0.000 0.787 336 A N -1.305 121.487 122.820 -0.048 0.000 1.958 336 A HA -0.288 4.032 4.320 -0.000 0.000 0.221 336 A C 2.264 179.682 177.584 -0.277 0.000 1.178 336 A CA 1.935 53.886 52.037 -0.144 0.000 0.642 336 A CB -2.001 16.855 19.000 -0.240 0.000 0.816 336 A HN 0.212 nan 8.150 nan 0.000 0.453 337 Y N -0.043 120.043 120.300 -0.356 0.000 2.145 337 Y HA -0.245 4.305 4.550 0.000 0.000 0.286 337 Y C 2.578 178.352 175.900 -0.210 0.000 1.145 337 Y CA 2.359 60.248 58.100 -0.352 0.000 1.148 337 Y CB -0.170 38.027 38.460 -0.439 0.000 0.981 337 Y HN 0.280 nan 8.280 nan 0.000 0.507 338 Q N 0.039 119.839 119.800 0.001 0.000 2.224 338 Q HA -0.083 4.257 4.340 -0.000 0.000 0.203 338 Q C 2.462 178.410 176.000 -0.087 0.000 0.970 338 Q CA 1.155 56.939 55.803 -0.032 0.000 0.865 338 Q CB -0.979 27.778 28.738 0.032 0.000 0.922 338 Q HN 0.678 nan 8.270 nan 0.000 0.445 339 G N -0.058 108.700 108.800 -0.070 0.000 2.446 339 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.217 339 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.217 339 G C 1.579 176.441 174.900 -0.064 0.000 1.168 339 G CA 1.058 46.142 45.100 -0.027 0.000 0.771 339 G HN 0.301 nan 8.290 nan 0.000 0.551 340 V N 0.428 120.243 119.914 -0.164 0.000 2.358 340 V HA -0.147 3.973 4.120 -0.000 0.000 0.246 340 V C 3.016 178.981 176.094 -0.216 0.000 1.047 340 V CA 1.336 63.532 62.300 -0.174 0.000 1.035 340 V CB -0.411 31.252 31.823 -0.268 0.000 0.658 340 V HN 0.237 nan 8.190 nan 0.000 0.452 341 V N 0.198 119.906 119.914 -0.343 0.000 2.252 341 V HA -0.334 3.786 4.120 -0.000 0.000 0.249 341 V C 2.459 178.478 176.094 -0.124 0.000 1.056 341 V CA 2.413 64.558 62.300 -0.259 0.000 1.022 341 V CB -0.717 30.954 31.823 -0.253 0.000 0.641 341 V HN 0.626 nan 8.190 nan 0.000 0.445 342 E N 0.048 120.195 120.200 -0.088 0.000 2.077 342 E HA -0.194 4.156 4.350 -0.000 0.000 0.193 342 E C 2.315 178.901 176.600 -0.023 0.000 0.989 342 E CA 1.304 57.680 56.400 -0.041 0.000 0.800 342 E CB -0.364 29.322 29.700 -0.024 0.000 0.746 342 E HN 0.617 nan 8.360 nan 0.000 0.452 343 A N 1.224 124.034 122.820 -0.018 0.000 1.877 343 A HA -0.148 4.172 4.320 -0.000 0.000 0.216 343 A C 2.194 179.792 177.584 0.024 0.000 1.186 343 A CA 1.061 53.106 52.037 0.015 0.000 0.620 343 A CB -0.640 18.381 19.000 0.036 0.000 0.822 343 A HN 0.134 nan 8.150 nan 0.000 0.443 344 L N 0.333 121.556 121.223 -0.000 0.000 2.201 344 L HA -0.110 4.230 4.340 -0.000 0.000 0.212 344 L C 2.308 179.173 176.870 -0.007 0.000 1.105 344 L CA 1.468 56.312 54.840 0.006 0.000 0.775 344 L CB -0.241 41.785 42.059 -0.056 0.000 0.913 344 L HN 0.590 nan 8.230 nan 0.000 0.440 345 S N -1.138 114.549 115.700 -0.022 0.000 2.568 345 S HA 0.367 4.837 4.470 -0.000 0.000 0.232 345 S C 0.958 175.554 174.600 -0.007 0.000 0.975 345 S CA 0.034 58.222 58.200 -0.021 0.000 0.949 345 S CB 0.112 63.292 63.200 -0.033 0.000 0.829 345 S HN 0.475 nan 8.310 nan 0.000 0.479 346 G N 0.000 108.802 108.800 0.003 0.000 5.446 346 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 346 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 346 G CA 0.000 45.104 45.100 0.007 0.000 0.502 346 G HN 0.000 nan 8.290 nan 0.000 0.925