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 1clx_1_C 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 NDYTNRNDcA VScAGLDRQK ARYKEIVQAY LEVVPPGRRG DATA SEQUENCE GITVWGIADP DSWLYTHQNL PDWPLLFNDN LQPKPAYQGV VEALS 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 0.000 174.849 174.900 -0.085 0.000 0.946 1 G CA 0.000 45.088 45.100 -0.020 0.000 0.502 2 L N 0.403 121.529 121.223 -0.161 0.000 2.021 2 L HA -0.175 4.165 4.340 0.000 0.000 0.215 2 L C 3.296 180.043 176.870 -0.205 0.000 1.074 2 L CA 2.331 57.021 54.840 -0.250 0.000 0.760 2 L CB -0.603 41.236 42.059 -0.367 0.000 0.889 2 L HN 0.687 nan 8.230 nan 0.000 0.433 3 A N -0.809 121.895 122.820 -0.193 0.000 2.067 3 A HA -0.134 4.186 4.320 0.000 0.000 0.219 3 A C 2.402 179.898 177.584 -0.147 0.000 1.158 3 A CA 1.669 53.615 52.037 -0.153 0.000 0.661 3 A CB -0.433 18.513 19.000 -0.090 0.000 0.801 3 A HN 0.430 nan 8.150 nan 0.000 0.452 4 S N -0.102 115.526 115.700 -0.120 0.000 2.474 4 S HA -0.004 4.466 4.470 0.000 0.000 0.235 4 S C 1.394 175.930 174.600 -0.107 0.000 0.997 4 S CA 1.019 59.161 58.200 -0.097 0.000 0.949 4 S CB -0.277 62.882 63.200 -0.068 0.000 0.766 4 S HN 0.559 nan 8.310 nan 0.000 0.517 5 L N 0.307 121.451 121.223 -0.133 0.000 2.567 5 L HA 0.351 4.691 4.340 0.000 0.000 0.225 5 L C 0.777 177.548 176.870 -0.164 0.000 1.119 5 L CA -0.127 54.640 54.840 -0.122 0.000 0.871 5 L CB -0.186 41.803 42.059 -0.117 0.000 1.036 5 L HN 0.202 nan 8.230 nan 0.000 0.459 6 A N -0.151 122.513 122.820 -0.261 0.000 2.479 6 A HA 0.496 4.816 4.320 0.000 0.000 0.296 6 A C -0.571 176.789 177.584 -0.374 0.000 1.121 6 A CA -0.493 51.270 52.037 -0.456 0.000 0.743 6 A CB 1.015 19.420 19.000 -0.992 0.000 1.323 6 A HN 0.172 nan 8.150 nan 0.000 0.415 7 D N -0.552 119.664 120.400 -0.306 0.000 2.424 7 D HA 0.249 4.889 4.640 0.000 0.000 0.220 7 D C -0.238 176.087 176.300 0.042 0.000 1.150 7 D CA 0.075 54.026 54.000 -0.081 0.000 0.831 7 D CB -0.424 40.400 40.800 0.041 0.000 0.981 7 D HN 0.333 nan 8.370 nan 0.000 0.500 8 F N -1.403 118.581 119.950 0.057 0.000 2.631 8 F HA 0.777 5.304 4.527 0.000 0.000 0.328 8 F C -2.862 172.971 175.800 0.056 0.000 1.067 8 F CA -3.242 54.800 58.000 0.070 0.000 0.969 8 F CB -0.129 38.939 39.000 0.112 0.000 1.332 8 F HN -0.419 nan 8.300 nan 0.000 0.490 9 P HA 0.134 nan 4.420 nan 0.000 0.265 9 P C -0.682 176.695 177.300 0.129 0.000 1.193 9 P CA 0.087 63.258 63.100 0.118 0.000 0.765 9 P CB 0.434 32.198 31.700 0.108 0.000 0.823 10 I N 3.064 123.676 120.570 0.070 0.000 2.359 10 I HA 0.394 4.564 4.170 0.000 0.000 0.284 10 I C 0.901 177.195 176.117 0.295 0.000 1.018 10 I CA -0.006 61.383 61.300 0.148 0.000 1.173 10 I CB 0.809 38.839 38.000 0.049 0.000 1.326 10 I HN 0.382 nan 8.210 nan 0.000 0.462 11 G N 4.643 113.563 108.800 0.199 0.000 2.537 11 G HA2 0.670 4.630 3.960 0.000 0.000 0.323 11 G HA3 0.670 4.630 3.960 0.000 0.000 0.323 11 G C -1.384 173.360 174.900 -0.260 0.000 1.207 11 G CA -0.580 44.537 45.100 0.028 0.000 0.976 11 G HN 0.349 nan 8.290 nan 0.000 0.487 12 V N -0.455 119.155 119.914 -0.506 0.000 2.971 12 V HA 0.751 4.871 4.120 0.000 0.000 0.309 12 V C -0.107 175.722 176.094 -0.441 0.000 1.130 12 V CA -0.532 61.385 62.300 -0.639 0.000 0.964 12 V CB 1.845 32.908 31.823 -1.266 0.000 1.029 12 V HN 1.393 nan 8.190 nan 0.000 0.427 13 A N 5.198 127.726 122.820 -0.486 0.000 2.409 13 A HA 0.653 4.973 4.320 0.000 0.000 0.267 13 A C -0.211 177.028 177.584 -0.575 0.000 1.127 13 A CA 0.260 51.880 52.037 -0.694 0.000 0.795 13 A CB 0.443 18.529 19.000 -1.524 0.000 1.061 13 A HN 1.837 nan 8.150 nan 0.000 0.502 14 V N 0.431 120.062 119.914 -0.472 0.000 2.628 14 V HA 0.884 5.004 4.120 0.000 0.000 0.306 14 V C 0.278 176.143 176.094 -0.382 0.000 1.045 14 V CA -0.468 61.579 62.300 -0.421 0.000 0.905 14 V CB 1.105 32.671 31.823 -0.428 0.000 0.997 14 V HN 1.430 nan 8.190 nan 0.000 0.436 15 A N 3.261 125.877 122.820 -0.340 0.000 2.316 15 A HA 0.897 5.217 4.320 0.000 0.000 0.284 15 A C 0.623 178.056 177.584 -0.251 0.000 1.115 15 A CA -0.091 51.795 52.037 -0.252 0.000 0.812 15 A CB 1.296 20.179 19.000 -0.196 0.000 1.064 15 A HN 2.411 nan 8.150 nan 0.000 0.489 16 A N 1.247 123.981 122.820 -0.143 0.000 2.709 16 A HA 0.508 4.828 4.320 0.000 0.000 0.241 16 A C 0.349 177.979 177.584 0.077 0.000 0.879 16 A CA 0.159 52.178 52.037 -0.030 0.000 1.120 16 A CB -0.162 18.852 19.000 0.024 0.000 1.226 16 A HN 0.714 nan 8.150 nan 0.000 0.468 17 S N 0.475 116.195 115.700 0.033 0.000 2.741 17 S HA 0.526 4.996 4.470 0.000 0.000 0.247 17 S C 0.759 175.390 174.600 0.050 0.000 1.050 17 S CA 0.307 58.546 58.200 0.066 0.000 1.025 17 S CB 0.205 63.452 63.200 0.079 0.000 0.897 17 S HN 2.026 nan 8.310 nan 0.000 0.508 18 G N 0.777 109.603 108.800 0.043 0.000 2.796 18 G HA2 0.357 4.317 3.960 0.000 0.000 0.571 18 G HA3 0.357 4.317 3.960 0.000 0.000 0.571 18 G C 0.215 175.118 174.900 0.005 0.000 1.370 18 G CA -0.607 44.510 45.100 0.029 0.000 0.856 18 G HN 1.454 nan 8.290 nan 0.000 0.538 19 G N -1.006 107.795 108.800 0.001 0.000 2.725 19 G HA2 -0.029 3.931 3.960 0.000 0.000 0.220 19 G HA3 -0.029 3.931 3.960 0.000 0.000 0.220 19 G C 0.808 175.690 174.900 -0.029 0.000 1.357 19 G CA 0.701 45.793 45.100 -0.013 0.000 0.866 19 G HN 1.641 nan 8.290 nan 0.000 0.548 20 N N 0.150 118.825 118.700 -0.041 0.000 2.270 20 N HA -0.012 4.728 4.740 0.000 0.000 0.181 20 N C 2.419 177.881 175.510 -0.080 0.000 1.016 20 N CA 1.772 54.789 53.050 -0.054 0.000 0.870 20 N CB -0.275 38.176 38.487 -0.060 0.000 0.979 20 N HN 1.014 nan 8.380 nan 0.000 0.431 21 A N 0.576 123.340 122.820 -0.094 0.000 2.169 21 A HA -0.045 4.275 4.320 0.000 0.000 0.212 21 A C 0.756 178.244 177.584 -0.160 0.000 1.153 21 A CA -0.124 51.835 52.037 -0.131 0.000 0.756 21 A CB -0.107 18.812 19.000 -0.135 0.000 0.813 21 A HN 0.095 nan 8.150 nan 0.000 0.471 22 D N 0.440 120.764 120.400 -0.127 0.000 2.472 22 D HA -0.017 4.623 4.640 0.000 0.000 0.248 22 D C 0.892 177.050 176.300 -0.236 0.000 1.174 22 D CA -0.055 53.859 54.000 -0.144 0.000 0.883 22 D CB 0.450 41.226 40.800 -0.040 0.000 1.149 22 D HN 0.137 nan 8.370 nan 0.000 0.488 23 I N 4.861 125.162 120.570 -0.447 0.000 2.454 23 I HA -0.195 3.975 4.170 0.000 0.000 0.254 23 I C 1.443 177.147 176.117 -0.688 0.000 1.156 23 I CA 0.981 61.876 61.300 -0.675 0.000 1.433 23 I CB -0.317 37.068 38.000 -1.026 0.000 1.082 23 I HN 0.381 nan 8.210 nan 0.000 0.432 24 F N -0.628 119.120 119.950 -0.337 0.000 2.558 24 F HA -0.008 4.519 4.527 0.000 0.000 0.298 24 F C 2.344 178.072 175.800 -0.120 0.000 1.119 24 F CA 0.992 58.844 58.000 -0.246 0.000 1.451 24 F CB -0.768 38.136 39.000 -0.161 0.000 1.091 24 F HN -0.039 nan 8.300 nan 0.000 0.563 25 T N -2.482 112.093 114.554 0.034 0.000 2.959 25 T HA 0.067 4.417 4.350 0.000 0.000 0.254 25 T C 0.614 175.306 174.700 -0.014 0.000 1.003 25 T CA 0.238 62.356 62.100 0.029 0.000 0.950 25 T CB 0.082 68.969 68.868 0.031 0.000 1.090 25 T HN -0.016 nan 8.240 nan 0.000 0.503 26 S N 1.655 117.319 115.700 -0.061 0.000 2.505 26 S HA 0.309 4.779 4.470 0.000 0.000 0.280 26 S C 1.449 176.018 174.600 -0.051 0.000 1.197 26 S CA -0.410 57.750 58.200 -0.066 0.000 1.138 26 S CB 0.388 63.529 63.200 -0.099 0.000 1.010 26 S HN 0.376 nan 8.310 nan 0.000 0.480 27 S N 4.124 119.815 115.700 -0.016 0.000 2.428 27 S HA -0.002 4.468 4.470 0.000 0.000 0.230 27 S C 2.050 176.645 174.600 -0.009 0.000 1.014 27 S CA 0.599 58.805 58.200 0.010 0.000 0.957 27 S CB -0.450 62.767 63.200 0.028 0.000 0.784 27 S HN 0.828 nan 8.310 nan 0.000 0.499 28 A N 2.466 125.266 122.820 -0.034 0.000 1.908 28 A HA -0.047 4.273 4.320 0.000 0.000 0.218 28 A C 2.405 179.936 177.584 -0.088 0.000 1.181 28 A CA 1.440 53.443 52.037 -0.057 0.000 0.627 28 A CB -0.578 18.384 19.000 -0.063 0.000 0.818 28 A HN 0.545 nan 8.150 nan 0.000 0.445 29 R N -0.852 119.587 120.500 -0.101 0.000 2.090 29 R HA -0.071 4.269 4.340 0.000 0.000 0.228 29 R C 2.470 178.725 176.300 -0.074 0.000 1.110 29 R CA 1.385 57.407 56.100 -0.131 0.000 0.973 29 R CB -0.246 29.954 30.300 -0.167 0.000 0.869 29 R HN 0.682 nan 8.270 nan 0.000 0.440 30 Q N 0.139 119.923 119.800 -0.025 0.000 2.124 30 Q HA -0.128 4.212 4.340 0.000 0.000 0.202 30 Q C 1.614 177.692 176.000 0.131 0.000 0.977 30 Q CA 1.176 57.061 55.803 0.137 0.000 0.850 30 Q CB -0.047 28.826 28.738 0.225 0.000 0.901 30 Q HN 0.326 nan 8.270 nan 0.000 0.429 31 N N 0.828 119.556 118.700 0.047 0.000 2.120 31 N HA -0.134 4.606 4.740 0.000 0.000 0.188 31 N C 1.795 177.299 175.510 -0.010 0.000 1.024 31 N CA 1.103 54.161 53.050 0.014 0.000 0.852 31 N CB -0.249 38.230 38.487 -0.014 0.000 1.003 31 N HN 0.251 nan 8.380 nan 0.000 0.424 32 I N 0.490 121.022 120.570 -0.063 0.000 2.208 32 I HA -0.227 3.943 4.170 0.000 0.000 0.245 32 I C 2.083 178.247 176.117 0.078 0.000 1.097 32 I CA 0.781 62.016 61.300 -0.109 0.000 1.363 32 I CB -0.208 37.587 38.000 -0.343 0.000 1.051 32 I HN -0.081 nan 8.210 nan 0.000 0.413 33 V N 0.640 120.650 119.914 0.160 0.000 2.307 33 V HA -0.252 3.868 4.120 0.000 0.000 0.245 33 V C 2.542 178.771 176.094 0.225 0.000 1.045 33 V CA 1.798 64.287 62.300 0.314 0.000 1.024 33 V CB -0.743 31.250 31.823 0.283 0.000 0.651 33 V HN 0.353 nan 8.190 nan 0.000 0.449 34 R N 0.185 120.763 120.500 0.130 0.000 2.091 34 R HA -0.164 4.176 4.340 0.000 0.000 0.238 34 R C 2.375 178.685 176.300 0.017 0.000 1.136 34 R CA 1.614 57.739 56.100 0.041 0.000 0.959 34 R CB -0.567 29.735 30.300 0.003 0.000 0.856 34 R HN 0.554 nan 8.270 nan 0.000 0.437 35 A N 0.776 123.602 122.820 0.010 0.000 1.898 35 A HA -0.096 4.224 4.320 0.000 0.000 0.214 35 A C 1.724 179.272 177.584 -0.060 0.000 1.183 35 A CA 1.078 53.102 52.037 -0.022 0.000 0.622 35 A CB 0.081 19.067 19.000 -0.025 0.000 0.824 35 A HN 0.153 nan 8.150 nan 0.000 0.444 36 E N -1.970 118.158 120.200 -0.120 0.000 2.372 36 E HA 0.239 4.589 4.350 0.000 0.000 0.201 36 E C -0.710 175.565 176.600 -0.542 0.000 0.938 36 E CA 0.147 56.319 56.400 -0.380 0.000 0.944 36 E CB 0.278 29.617 29.700 -0.601 0.000 0.937 36 E HN 0.508 nan 8.360 nan 0.000 0.495 37 F N 1.689 121.658 119.950 0.032 0.000 2.579 37 F HA 0.255 4.782 4.527 0.000 0.000 0.324 37 F C 0.831 176.628 175.800 -0.006 0.000 1.058 37 F CA -1.073 56.935 58.000 0.014 0.000 0.944 37 F CB 1.080 40.095 39.000 0.025 0.000 1.245 37 F HN -0.167 nan 8.300 nan 0.000 0.477 38 N N 0.007 118.815 118.700 0.180 0.000 2.241 38 N HA 0.159 4.899 4.740 0.000 0.000 0.238 38 N C -0.875 174.682 175.510 0.078 0.000 1.244 38 N CA -0.327 52.776 53.050 0.088 0.000 0.880 38 N CB 0.705 39.210 38.487 0.030 0.000 1.179 38 N HN 0.710 nan 8.380 nan 0.000 0.513 39 Q N 0.583 120.443 119.800 0.101 0.000 2.391 39 Q HA 0.545 4.885 4.340 0.000 0.000 0.279 39 Q C -1.760 174.245 176.000 0.009 0.000 1.028 39 Q CA -0.971 54.860 55.803 0.046 0.000 0.836 39 Q CB 2.125 30.882 28.738 0.033 0.000 1.414 39 Q HN 0.366 nan 8.270 nan 0.000 0.397 40 I N -0.955 119.610 120.570 -0.007 0.000 2.646 40 I HA 0.686 4.856 4.170 0.000 0.000 0.299 40 I C -0.788 175.286 176.117 -0.071 0.000 1.036 40 I CA -0.665 60.594 61.300 -0.067 0.000 1.074 40 I CB 2.525 40.501 38.000 -0.040 0.000 1.258 40 I HN 0.367 nan 8.210 nan 0.000 0.430 41 T N 3.909 118.396 114.554 -0.111 0.000 2.824 41 T HA 0.645 4.995 4.350 0.000 0.000 0.280 41 T C 0.119 174.706 174.700 -0.188 0.000 0.995 41 T CA -0.473 61.573 62.100 -0.089 0.000 1.009 41 T CB 1.535 70.418 68.868 0.026 0.000 0.955 41 T HN 0.827 nan 8.240 nan 0.000 0.452 42 A N 2.133 124.870 122.820 -0.138 0.000 2.451 42 A HA 0.222 4.542 4.320 0.000 0.000 0.266 42 A C 1.393 178.903 177.584 -0.124 0.000 1.119 42 A CA -0.372 51.573 52.037 -0.154 0.000 0.786 42 A CB -0.092 18.842 19.000 -0.109 0.000 1.061 42 A HN 1.057 nan 8.150 nan 0.000 0.503 43 E N 2.127 122.166 120.200 -0.268 0.000 2.118 43 E HA -0.196 4.154 4.350 0.000 0.000 0.195 43 E C 0.796 177.425 176.600 0.048 0.000 0.992 43 E CA 1.693 57.938 56.400 -0.259 0.000 0.804 43 E CB 0.120 29.578 29.700 -0.403 0.000 0.741 43 E HN 0.805 nan 8.360 nan 0.000 0.458 44 N N -0.769 117.895 118.700 -0.059 0.000 2.354 44 N HA 0.028 4.768 4.740 0.000 0.000 0.253 44 N C 1.550 176.767 175.510 -0.488 0.000 1.096 44 N CA 0.479 53.453 53.050 -0.127 0.000 0.820 44 N CB 0.344 38.764 38.487 -0.111 0.000 1.610 44 N HN 0.183 nan 8.380 nan 0.000 0.501 45 I N -1.316 118.991 120.570 -0.440 0.000 3.735 45 I HA 0.263 4.433 4.170 0.000 0.000 0.310 45 I C 0.938 176.919 176.117 -0.227 0.000 1.270 45 I CA 0.563 61.492 61.300 -0.618 0.000 1.207 45 I CB -0.228 37.648 38.000 -0.205 0.000 1.013 45 I HN -0.122 nan 8.210 nan 0.000 0.452 46 M N 0.554 120.092 119.600 -0.104 0.000 2.484 46 M HA 0.318 4.798 4.480 0.000 0.000 0.307 46 M C 0.232 176.634 176.300 0.170 0.000 1.149 46 M CA -0.097 55.252 55.300 0.081 0.000 0.972 46 M CB 0.243 32.846 32.600 0.005 0.000 1.400 46 M HN 0.080 nan 8.290 nan 0.000 0.508 47 K N 0.459 120.943 120.400 0.139 0.000 2.180 47 K HA 0.230 4.550 4.320 0.000 0.000 0.251 47 K C 1.044 177.895 176.600 0.419 0.000 1.014 47 K CA -0.035 56.413 56.287 0.268 0.000 0.913 47 K CB 0.909 33.604 32.500 0.325 0.000 1.008 47 K HN 0.181 nan 8.250 nan 0.000 0.490 48 M N 0.676 120.486 119.600 0.350 0.000 2.065 48 M HA -0.225 4.255 4.480 0.000 0.000 0.259 48 M C 2.232 178.803 176.300 0.451 0.000 1.069 48 M CA 2.138 57.675 55.300 0.395 0.000 1.110 48 M CB -0.469 32.205 32.600 0.124 0.000 1.328 48 M HN 0.762 nan 8.290 nan 0.000 0.405 49 S N -0.399 115.452 115.700 0.252 0.000 2.419 49 S HA -0.167 4.303 4.470 0.000 0.000 0.233 49 S C 1.598 176.331 174.600 0.220 0.000 1.016 49 S CA 1.037 59.320 58.200 0.138 0.000 0.974 49 S CB -1.001 62.138 63.200 -0.101 0.000 0.786 49 S HN 0.470 nan 8.310 nan 0.000 0.492 50 Y N 1.347 121.784 120.300 0.228 0.000 2.574 50 Y HA 0.209 4.759 4.550 0.000 0.000 0.294 50 Y C 2.161 178.157 175.900 0.161 0.000 1.142 50 Y CA 0.479 58.691 58.100 0.187 0.000 1.314 50 Y CB -0.405 38.168 38.460 0.188 0.000 0.991 50 Y HN 0.256 nan 8.280 nan 0.000 0.555 51 M N -1.152 118.634 119.600 0.309 0.000 2.618 51 M HA 0.033 4.513 4.480 0.000 0.000 0.240 51 M C -0.934 175.097 176.300 -0.449 0.000 1.123 51 M CA 0.614 55.895 55.300 -0.032 0.000 1.060 51 M CB -0.983 31.656 32.600 0.065 0.000 1.535 51 M HN 0.076 nan 8.290 nan 0.000 0.507 52 Y N -0.511 119.753 120.300 -0.059 0.000 2.425 52 Y HA 0.371 4.921 4.550 0.000 0.000 0.344 52 Y C 0.312 176.139 175.900 -0.122 0.000 0.969 52 Y CA -1.196 56.809 58.100 -0.159 0.000 1.052 52 Y CB 1.687 40.052 38.460 -0.159 0.000 1.215 52 Y HN -0.036 nan 8.280 nan 0.000 0.451 53 S N 2.495 118.199 115.700 0.007 0.000 2.448 53 S HA 0.629 5.099 4.470 0.000 0.000 0.320 53 S C 0.687 175.296 174.600 0.014 0.000 1.071 53 S CA 0.207 58.412 58.200 0.009 0.000 1.113 53 S CB 0.335 63.528 63.200 -0.011 0.000 0.972 53 S HN 1.318 nan 8.310 nan 0.000 0.465 54 G N 4.458 113.258 108.800 0.001 0.000 2.646 54 G HA2 -0.378 3.582 3.960 0.000 0.000 0.324 54 G HA3 -0.378 3.582 3.960 0.000 0.000 0.324 54 G C 0.949 175.846 174.900 -0.005 0.000 1.195 54 G CA 1.154 46.244 45.100 -0.018 0.000 0.976 54 G HN 1.992 nan 8.290 nan 0.000 0.546 55 S N 0.421 116.125 115.700 0.006 0.000 2.603 55 S HA 0.329 4.799 4.470 0.000 0.000 0.232 55 S C 0.439 175.047 174.600 0.014 0.000 1.016 55 S CA 0.402 58.607 58.200 0.009 0.000 0.976 55 S CB 0.347 63.544 63.200 -0.005 0.000 0.921 55 S HN 0.693 nan 8.310 nan 0.000 0.516 56 N N 1.345 120.045 118.700 0.001 0.000 2.492 56 N HA 0.492 5.232 4.740 0.000 0.000 0.289 56 N C -1.148 174.258 175.510 -0.173 0.000 1.133 56 N CA -0.394 52.629 53.050 -0.045 0.000 0.961 56 N CB 0.510 38.995 38.487 -0.003 0.000 1.186 56 N HN 0.127 nan 8.380 nan 0.000 0.493 57 F N 0.216 120.050 119.950 -0.194 0.000 2.389 57 F HA 0.231 4.758 4.527 0.000 0.000 0.337 57 F C 1.238 176.714 175.800 -0.539 0.000 1.112 57 F CA -0.025 57.636 58.000 -0.566 0.000 1.192 57 F CB 0.978 39.578 39.000 -0.666 0.000 1.185 57 F HN 0.200 nan 8.300 nan 0.000 0.552 58 S N 3.024 118.410 115.700 -0.524 0.000 2.779 58 S HA 0.456 4.926 4.470 0.000 0.000 0.293 58 S C -0.426 173.882 174.600 -0.488 0.000 1.150 58 S CA -0.523 57.464 58.200 -0.355 0.000 1.057 58 S CB 0.021 63.135 63.200 -0.143 0.000 1.021 58 S HN 0.456 nan 8.310 nan 0.000 0.485 59 F N 2.298 122.205 119.950 -0.071 0.000 2.653 59 F HA 0.206 4.733 4.527 0.000 0.000 0.304 59 F C 2.215 178.064 175.800 0.082 0.000 1.092 59 F CA -0.184 57.782 58.000 -0.057 0.000 1.279 59 F CB -0.118 38.614 39.000 -0.447 0.000 1.044 59 F HN 0.475 nan 8.300 nan 0.000 0.564 60 T N 0.125 114.792 114.554 0.187 0.000 2.635 60 T HA -0.271 4.079 4.350 0.000 0.000 0.267 60 T C 1.749 176.548 174.700 0.166 0.000 1.040 60 T CA 2.276 64.470 62.100 0.156 0.000 1.156 60 T CB -0.447 68.474 68.868 0.089 0.000 0.863 60 T HN 0.373 nan 8.240 nan 0.000 0.430 61 N N 0.829 119.629 118.700 0.167 0.000 2.171 61 N HA -0.072 4.668 4.740 0.000 0.000 0.184 61 N C 2.221 177.875 175.510 0.240 0.000 1.021 61 N CA 1.261 54.409 53.050 0.163 0.000 0.854 61 N CB -0.098 38.490 38.487 0.169 0.000 0.994 61 N HN 0.440 nan 8.380 nan 0.000 0.426 62 S N 0.413 116.307 115.700 0.324 0.000 2.428 62 S HA -0.045 4.425 4.470 0.000 0.000 0.230 62 S C 1.272 176.141 174.600 0.448 0.000 1.014 62 S CA 0.853 59.282 58.200 0.381 0.000 0.957 62 S CB -0.042 63.450 63.200 0.487 0.000 0.784 62 S HN 0.119 nan 8.310 nan 0.000 0.499 63 D N 1.732 122.403 120.400 0.451 0.000 2.144 63 D HA -0.045 4.595 4.640 0.000 0.000 0.199 63 D C 2.049 178.518 176.300 0.282 0.000 0.984 63 D CA 0.768 54.996 54.000 0.380 0.000 0.834 63 D CB -0.347 40.635 40.800 0.302 0.000 0.955 63 D HN 0.427 nan 8.370 nan 0.000 0.465 64 R N 0.102 120.745 120.500 0.239 0.000 2.096 64 R HA -0.130 4.210 4.340 0.000 0.000 0.235 64 R C 2.143 178.678 176.300 0.392 0.000 1.127 64 R CA 0.797 57.016 56.100 0.198 0.000 0.968 64 R CB -0.277 30.023 30.300 0.001 0.000 0.861 64 R HN 0.145 nan 8.270 nan 0.000 0.440 65 L N 0.323 121.815 121.223 0.448 0.000 2.068 65 L HA -0.072 4.268 4.340 0.000 0.000 0.204 65 L C 2.107 179.179 176.870 0.335 0.000 1.076 65 L CA 1.318 56.427 54.840 0.448 0.000 0.753 65 L CB -0.353 41.870 42.059 0.272 0.000 0.910 65 L HN -0.070 nan 8.230 nan 0.000 0.439 66 V N -0.740 119.329 119.914 0.258 0.000 2.332 66 V HA -0.299 3.821 4.120 0.000 0.000 0.248 66 V C 2.820 179.027 176.094 0.188 0.000 1.055 66 V CA 1.879 64.293 62.300 0.190 0.000 1.038 66 V CB -0.902 31.052 31.823 0.217 0.000 0.651 66 V HN 0.688 nan 8.190 nan 0.000 0.450 67 S N -1.289 114.542 115.700 0.218 0.000 2.356 67 S HA -0.301 4.169 4.470 0.000 0.000 0.223 67 S C 1.706 176.417 174.600 0.184 0.000 1.032 67 S CA 1.946 60.249 58.200 0.173 0.000 1.005 67 S CB -0.613 62.678 63.200 0.152 0.000 0.867 67 S HN 0.699 nan 8.310 nan 0.000 0.449 68 W N 2.087 123.467 121.300 0.134 0.000 2.302 68 W HA -0.236 4.424 4.660 0.000 0.000 0.320 68 W C 2.542 179.086 176.519 0.042 0.000 1.241 68 W CA 2.410 59.825 57.345 0.118 0.000 1.264 68 W CB -0.862 28.714 29.460 0.194 0.000 1.154 68 W HN 0.409 nan 8.180 nan 0.000 0.483 69 A N 0.230 123.179 122.820 0.215 0.000 1.902 69 A HA -0.058 4.262 4.320 0.000 0.000 0.217 69 A C 2.034 179.528 177.584 -0.149 0.000 1.181 69 A CA 2.481 54.539 52.037 0.035 0.000 0.623 69 A CB -1.546 17.535 19.000 0.136 0.000 0.818 69 A HN 0.444 nan 8.150 nan 0.000 0.443 70 A N -0.871 121.905 122.820 -0.074 0.000 2.015 70 A HA -0.135 4.185 4.320 0.000 0.000 0.219 70 A C 2.007 179.509 177.584 -0.136 0.000 1.163 70 A CA 1.372 53.363 52.037 -0.076 0.000 0.646 70 A CB -0.398 18.587 19.000 -0.025 0.000 0.806 70 A HN 0.655 nan 8.150 nan 0.000 0.448 71 Q N -0.668 119.008 119.800 -0.206 0.000 2.451 71 Q HA 0.074 4.414 4.340 0.000 0.000 0.206 71 Q C 0.266 176.073 176.000 -0.322 0.000 0.947 71 Q CA 0.428 56.095 55.803 -0.226 0.000 0.937 71 Q CB 0.119 28.732 28.738 -0.208 0.000 1.025 71 Q HN 0.625 nan 8.270 nan 0.000 0.511 72 N N -0.562 117.865 118.700 -0.455 0.000 2.241 72 N HA 0.096 4.836 4.740 0.000 0.000 0.238 72 N C 0.097 175.419 175.510 -0.313 0.000 1.244 72 N CA 0.541 53.275 53.050 -0.527 0.000 0.880 72 N CB 1.845 39.658 38.487 -1.122 0.000 1.179 72 N HN 0.248 nan 8.380 nan 0.000 0.513 73 G N 1.746 110.419 108.800 -0.212 0.000 2.182 73 G HA2 -0.216 3.744 3.960 0.000 0.000 0.248 73 G HA3 -0.216 3.744 3.960 0.000 0.000 0.248 73 G C -0.356 174.500 174.900 -0.073 0.000 1.042 73 G CA -0.040 44.992 45.100 -0.113 0.000 0.775 73 G HN 0.189 nan 8.290 nan 0.000 0.501 74 Q N 0.884 120.633 119.800 -0.084 0.000 2.331 74 Q HA 0.529 4.869 4.340 0.000 0.000 0.267 74 Q C 0.769 176.763 176.000 -0.010 0.000 1.006 74 Q CA 0.101 55.892 55.803 -0.019 0.000 0.818 74 Q CB 1.621 30.371 28.738 0.021 0.000 1.276 74 Q HN 0.677 nan 8.270 nan 0.000 0.450 75 T N -1.625 112.933 114.554 0.005 0.000 2.802 75 T HA 0.401 4.751 4.350 0.000 0.000 0.305 75 T C 0.295 174.994 174.700 -0.001 0.000 1.053 75 T CA -0.493 61.611 62.100 0.006 0.000 1.058 75 T CB 0.573 69.451 68.868 0.017 0.000 0.988 75 T HN 0.266 nan 8.240 nan 0.000 0.539 76 V N 2.391 122.287 119.914 -0.029 0.000 2.444 76 V HA 0.341 4.461 4.120 0.000 0.000 0.294 76 V C -0.560 175.472 176.094 -0.104 0.000 1.022 76 V CA -0.927 61.324 62.300 -0.082 0.000 0.850 76 V CB 1.051 32.795 31.823 -0.131 0.000 0.992 76 V HN 1.069 nan 8.190 nan 0.000 0.426 77 H N 3.137 122.083 119.070 -0.207 0.000 2.552 77 H HA 0.617 5.173 4.556 0.000 0.000 0.311 77 H C 0.448 175.560 175.328 -0.359 0.000 1.071 77 H CA 0.015 55.911 56.048 -0.254 0.000 1.307 77 H CB 1.423 31.083 29.762 -0.170 0.000 1.416 77 H HN 0.787 nan 8.280 nan 0.000 0.464 78 G N 3.393 111.573 108.800 -1.034 0.000 2.364 78 G HA2 0.252 4.212 3.960 0.000 0.000 0.267 78 G HA3 0.252 4.212 3.960 0.000 0.000 0.267 78 G C -1.043 173.515 174.900 -0.569 0.000 1.233 78 G CA -0.219 44.128 45.100 -1.255 0.000 0.885 78 G HN 0.827 nan 8.290 nan 0.000 0.490 79 H N 0.924 119.809 119.070 -0.308 0.000 3.092 79 H HA 0.635 5.191 4.556 0.000 0.000 0.308 79 H C -0.516 174.854 175.328 0.071 0.000 1.047 79 H CA 0.064 56.053 56.048 -0.098 0.000 1.466 79 H CB 0.852 30.571 29.762 -0.072 0.000 1.597 79 H HN 0.770 nan 8.280 nan 0.000 0.512 80 A N 4.525 127.329 122.820 -0.027 0.000 2.594 80 A HA 0.292 4.612 4.320 0.000 0.000 0.296 80 A C -0.253 177.410 177.584 0.132 0.000 1.061 80 A CA -0.692 51.366 52.037 0.035 0.000 0.689 80 A CB 0.682 19.504 19.000 -0.297 0.000 1.280 80 A HN 0.664 nan 8.150 nan 0.000 0.406 81 L N 0.483 121.731 121.223 0.041 0.000 2.109 81 L HA 0.055 4.395 4.340 0.000 0.000 0.207 81 L C 0.032 176.936 176.870 0.056 0.000 1.086 81 L CA 1.227 56.028 54.840 -0.064 0.000 0.760 81 L CB -0.002 41.834 42.059 -0.371 0.000 0.910 81 L HN 0.485 nan 8.230 nan 0.000 0.437 82 V N -1.197 118.714 119.914 -0.005 0.000 2.482 82 V HA 0.362 4.482 4.120 0.000 0.000 0.295 82 V C -1.393 174.770 176.094 0.115 0.000 1.026 82 V CA -0.614 61.639 62.300 -0.078 0.000 0.856 82 V CB 1.921 33.656 31.823 -0.146 0.000 1.001 82 V HN 0.193 nan 8.190 nan 0.000 0.424 83 W N 5.172 126.419 121.300 -0.089 0.000 3.363 83 W HA 0.489 5.149 4.660 0.000 0.000 0.306 83 W C 0.931 177.577 176.519 0.211 0.000 1.253 83 W CA -0.889 56.481 57.345 0.042 0.000 1.195 83 W CB 1.378 30.782 29.460 -0.093 0.000 1.366 83 W HN 0.759 nan 8.180 nan 0.000 0.551 84 H N 0.824 119.910 119.070 0.026 0.000 2.403 84 H HA 0.255 4.811 4.556 0.000 0.000 0.298 84 H C -1.506 173.581 175.328 -0.400 0.000 1.059 84 H CA 0.448 56.484 56.048 -0.020 0.000 1.363 84 H CB -1.727 28.081 29.762 0.077 0.000 1.410 84 H HN 0.036 nan 8.280 nan 0.000 0.528 85 P HA -0.041 nan 4.420 nan 0.000 0.264 85 P C 1.149 178.062 177.300 -0.645 0.000 1.193 85 P CA 0.961 63.501 63.100 -0.933 0.000 0.763 85 P CB 0.929 31.804 31.700 -1.376 0.000 0.810 86 S N 3.222 118.733 115.700 -0.315 0.000 2.400 86 S HA -0.269 4.201 4.470 0.000 0.000 0.232 86 S C 1.839 176.317 174.600 -0.204 0.000 1.025 86 S CA 1.447 59.517 58.200 -0.217 0.000 0.993 86 S CB -1.638 61.501 63.200 -0.102 0.000 0.808 86 S HN 0.588 nan 8.310 nan 0.000 0.478 87 Y N 2.902 123.107 120.300 -0.158 0.000 2.403 87 Y HA 0.045 4.595 4.550 0.000 0.000 0.291 87 Y C 1.921 177.761 175.900 -0.099 0.000 1.143 87 Y CA 0.991 59.025 58.100 -0.111 0.000 1.257 87 Y CB -0.857 37.562 38.460 -0.070 0.000 0.984 87 Y HN 0.548 nan 8.280 nan 0.000 0.550 88 Q N 0.366 119.795 119.800 -0.618 0.000 2.139 88 Q HA 0.337 4.677 4.340 0.000 0.000 0.219 88 Q C -0.543 175.291 176.000 -0.277 0.000 0.805 88 Q CA -0.091 55.496 55.803 -0.360 0.000 1.024 88 Q CB -0.304 28.250 28.738 -0.307 0.000 1.163 88 Q HN 0.465 nan 8.270 nan 0.000 0.485 89 L N 2.824 123.848 121.223 -0.333 0.000 2.410 89 L HA 0.375 4.715 4.340 0.000 0.000 0.273 89 L C -2.028 174.574 176.870 -0.446 0.000 1.152 89 L CA -1.962 52.658 54.840 -0.367 0.000 0.855 89 L CB 0.514 42.345 42.059 -0.379 0.000 1.129 89 L HN 0.082 nan 8.230 nan 0.000 0.463 90 P HA 0.136 nan 4.420 nan 0.000 0.274 90 P C -0.102 176.706 177.300 -0.820 0.000 1.246 90 P CA -0.475 62.123 63.100 -0.837 0.000 0.795 90 P CB 0.519 31.407 31.700 -1.353 0.000 1.006 91 N N 0.489 118.827 118.700 -0.604 0.000 2.381 91 N HA -0.110 4.630 4.740 0.000 0.000 0.182 91 N C 1.615 176.945 175.510 -0.299 0.000 1.025 91 N CA 0.900 53.727 53.050 -0.370 0.000 0.888 91 N CB -0.546 37.808 38.487 -0.222 0.000 0.965 91 N HN 0.672 nan 8.380 nan 0.000 0.438 92 W N 1.046 122.186 121.300 -0.266 0.000 2.421 92 W HA 0.140 4.800 4.660 0.000 0.000 0.270 92 W C 0.097 176.519 176.519 -0.162 0.000 1.233 92 W CA 0.120 57.344 57.345 -0.203 0.000 1.226 92 W CB -0.529 28.794 29.460 -0.229 0.000 1.121 92 W HN -0.082 nan 8.180 nan 0.000 0.579 93 A N 2.064 124.463 122.820 -0.701 0.000 3.004 93 A HA 0.407 4.727 4.320 0.000 0.000 0.286 93 A C -0.257 177.294 177.584 -0.055 0.000 1.632 93 A CA 0.158 51.871 52.037 -0.539 0.000 1.339 93 A CB -0.388 17.961 19.000 -1.086 0.000 1.136 93 A HN 0.131 nan 8.150 nan 0.000 0.577 94 S N 0.475 116.312 115.700 0.228 0.000 2.540 94 S HA 0.334 4.804 4.470 0.000 0.000 0.275 94 S C 0.136 174.793 174.600 0.095 0.000 1.123 94 S CA -0.627 57.619 58.200 0.076 0.000 0.907 94 S CB 1.103 64.319 63.200 0.027 0.000 1.081 94 S HN 0.519 nan 8.310 nan 0.000 0.476 95 D N 2.432 122.809 120.400 -0.038 0.000 2.309 95 D HA -0.031 4.609 4.640 0.000 0.000 0.212 95 D C 1.011 177.295 176.300 -0.027 0.000 0.968 95 D CA 0.976 54.928 54.000 -0.080 0.000 0.882 95 D CB 0.151 40.896 40.800 -0.091 0.000 0.918 95 D HN 0.431 nan 8.370 nan 0.000 0.503 96 S N 0.206 115.910 115.700 0.005 0.000 2.575 96 S HA -0.029 4.441 4.470 0.000 0.000 0.215 96 S C 0.638 175.264 174.600 0.043 0.000 0.966 96 S CA -0.418 57.788 58.200 0.011 0.000 0.911 96 S CB 0.101 63.303 63.200 0.002 0.000 0.780 96 S HN 0.159 nan 8.310 nan 0.000 0.514 97 N N 1.709 120.468 118.700 0.098 0.000 2.462 97 N HA 0.412 5.152 4.740 0.000 0.000 0.242 97 N C 0.563 176.159 175.510 0.143 0.000 1.010 97 N CA -0.181 52.955 53.050 0.143 0.000 0.939 97 N CB 1.082 39.715 38.487 0.245 0.000 1.127 97 N HN 0.036 nan 8.380 nan 0.000 0.509 98 A N 3.739 126.609 122.820 0.083 0.000 2.067 98 A HA -0.071 4.249 4.320 0.000 0.000 0.219 98 A C 1.461 179.091 177.584 0.077 0.000 1.158 98 A CA 0.863 52.934 52.037 0.057 0.000 0.661 98 A CB -0.200 18.816 19.000 0.027 0.000 0.801 98 A HN 0.691 nan 8.150 nan 0.000 0.452 99 N N -1.295 117.464 118.700 0.099 0.000 2.314 99 N HA 0.100 4.840 4.740 0.000 0.000 0.200 99 N C 0.765 176.344 175.510 0.114 0.000 1.135 99 N CA -0.163 52.932 53.050 0.076 0.000 0.835 99 N CB -0.453 38.057 38.487 0.039 0.000 0.989 99 N HN 0.478 nan 8.380 nan 0.000 0.478 100 F N 1.754 121.736 119.950 0.052 0.000 2.065 100 F HA -0.195 4.332 4.527 0.000 0.000 0.298 100 F C 2.200 178.073 175.800 0.122 0.000 1.112 100 F CA 1.723 59.817 58.000 0.155 0.000 1.212 100 F CB 0.194 39.275 39.000 0.135 0.000 0.975 100 F HN 0.004 nan 8.300 nan 0.000 0.476 101 R N -0.342 120.329 120.500 0.284 0.000 2.092 101 R HA -0.188 4.152 4.340 0.000 0.000 0.231 101 R C 2.369 178.767 176.300 0.165 0.000 1.119 101 R CA 1.512 57.714 56.100 0.169 0.000 0.970 101 R CB -0.597 29.620 30.300 -0.140 0.000 0.864 101 R HN 0.473 nan 8.270 nan 0.000 0.440 102 Q N 0.657 120.491 119.800 0.056 0.000 2.050 102 Q HA -0.186 4.154 4.340 0.000 0.000 0.202 102 Q C 1.101 177.041 176.000 -0.099 0.000 0.980 102 Q CA 1.687 57.495 55.803 0.008 0.000 0.840 102 Q CB 0.112 28.846 28.738 -0.007 0.000 0.898 102 Q HN 0.262 nan 8.270 nan 0.000 0.424 103 D N -0.323 119.905 120.400 -0.288 0.000 2.178 103 D HA -0.130 4.510 4.640 0.000 0.000 0.202 103 D C 1.534 177.200 176.300 -1.057 0.000 0.974 103 D CA 0.641 54.199 54.000 -0.737 0.000 0.841 103 D CB -0.291 39.885 40.800 -1.039 0.000 0.953 103 D HN 0.245 nan 8.370 nan 0.000 0.478 104 F N 1.769 121.162 119.950 -0.927 0.000 2.102 104 F HA -0.157 4.370 4.527 0.000 0.000 0.298 104 F C 2.208 177.982 175.800 -0.044 0.000 1.105 104 F CA 1.642 59.401 58.000 -0.403 0.000 1.239 104 F CB -0.110 38.979 39.000 0.149 0.000 0.991 104 F HN -0.067 nan 8.300 nan 0.000 0.474 105 A N 0.567 123.509 122.820 0.203 0.000 1.898 105 A HA -0.196 4.124 4.320 0.000 0.000 0.216 105 A C 2.360 179.952 177.584 0.014 0.000 1.181 105 A CA 1.640 53.767 52.037 0.150 0.000 0.620 105 A CB -0.911 18.217 19.000 0.214 0.000 0.819 105 A HN 0.470 nan 8.150 nan 0.000 0.442 106 R N -1.224 119.268 120.500 -0.013 0.000 2.105 106 R HA -0.213 4.127 4.340 0.000 0.000 0.239 106 R C 2.233 178.594 176.300 0.101 0.000 1.135 106 R CA 1.733 57.851 56.100 0.031 0.000 0.967 106 R CB -0.523 29.807 30.300 0.051 0.000 0.861 106 R HN 0.818 nan 8.270 nan 0.000 0.442 107 H N 0.687 119.766 119.070 0.014 0.000 2.270 107 H HA -0.129 4.427 4.556 0.000 0.000 0.299 107 H C 2.022 177.347 175.328 -0.004 0.000 1.077 107 H CA 2.174 58.355 56.048 0.222 0.000 1.294 107 H CB 0.029 29.942 29.762 0.252 0.000 1.371 107 H HN 0.150 nan 8.280 nan 0.000 0.491 108 I N 1.191 121.680 120.570 -0.134 0.000 2.127 108 I HA -0.267 3.903 4.170 0.000 0.000 0.241 108 I C 2.150 178.118 176.117 -0.248 0.000 1.075 108 I CA 1.406 62.547 61.300 -0.266 0.000 1.334 108 I CB -1.077 36.762 38.000 -0.269 0.000 1.040 108 I HN 0.247 nan 8.210 nan 0.000 0.405 109 D N 0.919 121.221 120.400 -0.164 0.000 2.104 109 D HA -0.141 4.499 4.640 0.000 0.000 0.194 109 D C 2.235 178.417 176.300 -0.196 0.000 0.994 109 D CA 1.787 55.703 54.000 -0.139 0.000 0.830 109 D CB -0.382 40.368 40.800 -0.084 0.000 0.959 109 D HN 0.287 nan 8.370 nan 0.000 0.452 110 T N 0.200 114.590 114.554 -0.273 0.000 2.701 110 T HA -0.071 4.279 4.350 0.000 0.000 0.263 110 T C 2.236 176.713 174.700 -0.372 0.000 1.040 110 T CA 0.836 62.688 62.100 -0.412 0.000 1.147 110 T CB -0.349 68.007 68.868 -0.854 0.000 0.865 110 T HN -0.041 nan 8.240 nan 0.000 0.426 111 V N 1.584 121.280 119.914 -0.363 0.000 2.323 111 V HA -0.081 4.039 4.120 0.000 0.000 0.244 111 V C 2.886 178.939 176.094 -0.068 0.000 1.041 111 V CA 1.561 63.765 62.300 -0.160 0.000 1.025 111 V CB -1.160 30.552 31.823 -0.186 0.000 0.656 111 V HN 0.509 nan 8.190 nan 0.000 0.451 112 A N 0.108 122.796 122.820 -0.220 0.000 1.902 112 A HA -0.138 4.182 4.320 0.000 0.000 0.217 112 A C 2.398 179.975 177.584 -0.010 0.000 1.181 112 A CA 2.152 54.101 52.037 -0.147 0.000 0.623 112 A CB -0.767 18.055 19.000 -0.297 0.000 0.818 112 A HN 0.568 nan 8.150 nan 0.000 0.443 113 A N -1.489 121.274 122.820 -0.096 0.000 1.930 113 A HA -0.188 4.132 4.320 0.000 0.000 0.217 113 A C 2.111 179.595 177.584 -0.166 0.000 1.175 113 A CA 1.625 53.601 52.037 -0.102 0.000 0.627 113 A CB -0.903 18.023 19.000 -0.123 0.000 0.815 113 A HN 0.772 nan 8.150 nan 0.000 0.443 114 H N -1.676 117.155 119.070 -0.399 0.000 2.357 114 H HA -0.083 4.473 4.556 0.000 0.000 0.301 114 H C 0.891 175.833 175.328 -0.642 0.000 1.082 114 H CA 1.646 57.262 56.048 -0.719 0.000 1.342 114 H CB -0.105 28.778 29.762 -1.465 0.000 1.389 114 H HN 0.473 nan 8.280 nan 0.000 0.511 115 F N 0.476 120.335 119.950 -0.151 0.000 2.773 115 F HA 0.241 4.768 4.527 0.000 0.000 0.304 115 F C 2.344 178.128 175.800 -0.028 0.000 1.129 115 F CA 0.404 58.367 58.000 -0.061 0.000 1.378 115 F CB -0.238 38.875 39.000 0.187 0.000 1.095 115 F HN 0.195 nan 8.300 nan 0.000 0.565 116 A N 0.359 123.212 122.820 0.055 0.000 1.917 116 A HA -0.140 4.180 4.320 0.000 0.000 0.219 116 A C 2.381 180.008 177.584 0.072 0.000 1.182 116 A CA 1.961 54.045 52.037 0.078 0.000 0.633 116 A CB -1.193 17.814 19.000 0.011 0.000 0.819 116 A HN 0.385 nan 8.150 nan 0.000 0.448 117 G N -1.869 106.946 108.800 0.025 0.000 3.605 117 G HA2 0.386 4.346 3.960 0.000 0.000 0.277 117 G HA3 0.386 4.346 3.960 0.000 0.000 0.277 117 G C 0.753 175.674 174.900 0.035 0.000 1.093 117 G CA 0.269 45.388 45.100 0.031 0.000 0.821 117 G HN 0.591 nan 8.290 nan 0.000 0.532 118 Q N -0.569 119.266 119.800 0.059 0.000 2.164 118 Q HA 0.274 4.614 4.340 0.000 0.000 0.226 118 Q C -0.376 175.638 176.000 0.025 0.000 0.813 118 Q CA 0.092 55.927 55.803 0.053 0.000 0.978 118 Q CB 2.286 31.080 28.738 0.094 0.000 1.149 118 Q HN 0.209 nan 8.270 nan 0.000 0.489 119 V N 1.528 121.445 119.914 0.005 0.000 2.531 119 V HA 0.150 4.270 4.120 0.000 0.000 0.301 119 V C 0.622 176.674 176.094 -0.070 0.000 1.034 119 V CA -0.500 61.718 62.300 -0.138 0.000 0.865 119 V CB 1.979 33.575 31.823 -0.378 0.000 0.995 119 V HN 0.084 nan 8.190 nan 0.000 0.424 120 K N 2.495 122.864 120.400 -0.051 0.000 2.057 120 K HA 0.011 4.331 4.320 0.000 0.000 0.206 120 K C 0.586 177.244 176.600 0.097 0.000 1.050 120 K CA 1.479 57.789 56.287 0.040 0.000 0.935 120 K CB 0.297 32.832 32.500 0.059 0.000 0.715 120 K HN 0.840 nan 8.250 nan 0.000 0.439 121 S N -2.053 113.685 115.700 0.063 0.000 2.588 121 S HA 0.468 4.938 4.470 0.000 0.000 0.269 121 S C -1.681 172.901 174.600 -0.030 0.000 1.157 121 S CA -1.132 57.228 58.200 0.265 0.000 0.824 121 S CB 0.911 64.448 63.200 0.563 0.000 1.126 121 S HN 0.269 nan 8.310 nan 0.000 0.464 122 W N 0.506 121.901 121.300 0.159 0.000 2.915 122 W HA 0.450 5.110 4.660 -0.000 0.000 0.337 122 W C -1.186 175.345 176.519 0.020 0.000 1.102 122 W CA -0.362 56.918 57.345 -0.109 0.000 1.224 122 W CB 1.584 31.004 29.460 -0.066 0.000 1.416 122 W HN 0.570 nan 8.180 nan 0.000 0.503 123 D N 2.712 123.163 120.400 0.085 0.000 2.359 123 D HA 0.055 4.695 4.640 0.000 0.000 0.250 123 D C 1.030 177.413 176.300 0.139 0.000 1.264 123 D CA 0.283 54.397 54.000 0.190 0.000 0.911 123 D CB 1.275 42.155 40.800 0.134 0.000 1.056 123 D HN 0.087 nan 8.370 nan 0.000 0.499 124 V N 2.288 122.208 119.914 0.011 0.000 2.283 124 V HA -0.092 4.028 4.120 0.000 0.000 0.243 124 V C 1.035 177.006 176.094 -0.205 0.000 1.039 124 V CA 0.951 63.071 62.300 -0.299 0.000 1.016 124 V CB 0.145 31.410 31.823 -0.930 0.000 0.650 124 V HN 0.291 nan 8.190 nan 0.000 0.449 125 V N 0.821 120.704 119.914 -0.051 0.000 2.588 125 V HA 0.495 4.615 4.120 0.000 0.000 0.304 125 V C -0.851 175.313 176.094 0.117 0.000 1.042 125 V CA -0.737 61.664 62.300 0.169 0.000 0.877 125 V CB 1.770 33.819 31.823 0.378 0.000 0.996 125 V HN 0.432 nan 8.190 nan 0.000 0.425 126 N N 2.504 121.265 118.700 0.102 0.000 2.372 126 N HA 0.389 5.129 4.740 0.000 0.000 0.285 126 N C -0.201 175.448 175.510 0.231 0.000 1.008 126 N CA -0.372 52.630 53.050 -0.081 0.000 0.880 126 N CB 1.105 39.365 38.487 -0.378 0.000 1.239 126 N HN 0.770 nan 8.380 nan 0.000 0.484 127 E N 1.157 121.452 120.200 0.159 0.000 2.442 127 E HA -0.224 4.126 4.350 0.000 0.000 0.256 127 E C -0.090 176.830 176.600 0.532 0.000 1.095 127 E CA 0.580 57.231 56.400 0.418 0.000 0.747 127 E CB -1.471 28.681 29.700 0.752 0.000 1.310 127 E HN 0.619 nan 8.360 nan 0.000 0.396 128 A N -0.029 123.142 122.820 0.586 0.000 2.169 128 A HA 0.124 4.444 4.320 0.000 0.000 0.212 128 A C 0.973 178.798 177.584 0.401 0.000 1.153 128 A CA 0.264 52.660 52.037 0.599 0.000 0.756 128 A CB 0.242 19.648 19.000 0.677 0.000 0.813 128 A HN 0.264 nan 8.150 nan 0.000 0.471 129 L N -0.157 121.218 121.223 0.254 0.000 2.349 129 L HA 0.305 4.645 4.340 0.000 0.000 0.275 129 L C 0.213 177.112 176.870 0.049 0.000 1.115 129 L CA -0.804 54.062 54.840 0.043 0.000 0.820 129 L CB 0.703 42.736 42.059 -0.043 0.000 1.135 129 L HN 0.394 nan 8.230 nan 0.000 0.445 130 F N 3.506 123.406 119.950 -0.082 0.000 2.602 130 F HA 0.017 4.544 4.527 0.000 0.000 0.367 130 F C 0.295 176.050 175.800 -0.075 0.000 1.126 130 F CA 0.210 58.170 58.000 -0.067 0.000 1.321 130 F CB 0.292 39.247 39.000 -0.075 0.000 1.094 130 F HN 0.420 nan 8.300 nan 0.000 0.594 131 D N 3.660 123.414 120.400 -1.076 0.000 2.686 131 D HA 0.126 4.766 4.640 0.000 0.000 0.249 131 D C 0.546 176.217 176.300 -1.050 0.000 1.260 131 D CA -0.017 53.505 54.000 -0.796 0.000 0.910 131 D CB 1.991 42.590 40.800 -0.336 0.000 1.323 131 D HN 0.637 nan 8.370 nan 0.000 0.561 132 S N 2.206 117.472 115.700 -0.723 0.000 2.420 132 S HA -0.202 4.268 4.470 0.000 0.000 0.237 132 S C 1.699 176.217 174.600 -0.137 0.000 1.023 132 S CA 1.088 59.127 58.200 -0.269 0.000 0.991 132 S CB -0.022 63.198 63.200 0.034 0.000 0.792 132 S HN 0.476 nan 8.310 nan 0.000 0.488 133 A N 0.636 123.387 122.820 -0.115 0.000 2.195 133 A HA 0.297 4.617 4.320 0.000 0.000 0.210 133 A C 0.819 178.406 177.584 0.005 0.000 1.165 133 A CA 0.615 52.634 52.037 -0.029 0.000 0.806 133 A CB 0.003 19.003 19.000 0.001 0.000 0.847 133 A HN 0.451 nan 8.150 nan 0.000 0.482 134 D N -0.529 119.852 120.400 -0.031 0.000 2.517 134 D HA 0.318 4.958 4.640 0.000 0.000 0.263 134 D C -1.521 174.764 176.300 -0.025 0.000 1.233 134 D CA -0.217 53.815 54.000 0.053 0.000 0.849 134 D CB 0.413 41.351 40.800 0.230 0.000 1.261 134 D HN -0.027 nan 8.370 nan 0.000 0.516 135 D N 2.763 123.157 120.400 -0.010 0.000 2.772 135 D HA 0.246 4.886 4.640 0.000 0.000 0.326 135 D C -1.469 174.863 176.300 0.054 0.000 1.207 135 D CA -1.608 52.406 54.000 0.022 0.000 0.777 135 D CB 1.214 42.089 40.800 0.124 0.000 1.169 135 D HN 0.160 nan 8.370 nan 0.000 0.506 136 P HA -0.094 nan 4.420 nan 0.000 0.218 136 P C 0.871 178.191 177.300 0.034 0.000 1.149 136 P CA 0.698 63.828 63.100 0.051 0.000 0.817 136 P CB 0.548 32.292 31.700 0.073 0.000 0.785 137 D N -0.157 120.256 120.400 0.021 0.000 2.182 137 D HA -0.099 4.541 4.640 0.000 0.000 0.201 137 D C 1.608 177.919 176.300 0.018 0.000 0.986 137 D CA 1.984 55.988 54.000 0.007 0.000 0.847 137 D CB -0.386 40.409 40.800 -0.009 0.000 0.942 137 D HN 0.314 nan 8.370 nan 0.000 0.467 138 G N 0.640 109.467 108.800 0.044 0.000 2.157 138 G HA2 -0.281 3.679 3.960 0.000 0.000 0.239 138 G HA3 -0.281 3.679 3.960 0.000 0.000 0.239 138 G C 1.027 175.951 174.900 0.039 0.000 0.982 138 G CA 0.167 45.295 45.100 0.047 0.000 0.650 138 G HN 0.293 nan 8.290 nan 0.000 0.527 139 R N 0.571 121.091 120.500 0.034 0.000 2.290 139 R HA 0.417 4.757 4.340 0.000 0.000 0.197 139 R C 1.550 177.815 176.300 -0.057 0.000 0.913 139 R CA 0.737 56.830 56.100 -0.013 0.000 1.040 139 R CB 0.259 30.540 30.300 -0.031 0.000 0.992 139 R HN 1.547 nan 8.270 nan 0.000 0.500 140 G N 1.237 110.019 108.800 -0.030 0.000 2.782 140 G HA2 -0.290 3.670 3.960 0.000 0.000 0.228 140 G HA3 -0.290 3.670 3.960 0.000 0.000 0.228 140 G C -0.481 174.031 174.900 -0.648 0.000 1.372 140 G CA -0.147 44.783 45.100 -0.282 0.000 0.862 140 G HN 0.225 nan 8.290 nan 0.000 0.547 141 S N -0.181 114.827 115.700 -1.153 0.000 2.505 141 S HA 0.576 5.046 4.470 0.000 0.000 0.276 141 S C 0.860 175.214 174.600 -0.410 0.000 1.274 141 S CA 0.752 58.352 58.200 -1.000 0.000 1.053 141 S CB 0.470 62.989 63.200 -1.136 0.000 0.919 141 S HN 2.147 nan 8.310 nan 0.000 0.490 142 A N 5.446 128.102 122.820 -0.273 0.000 3.004 142 A HA 0.375 4.695 4.320 0.000 0.000 0.286 142 A C 0.680 178.302 177.584 0.064 0.000 1.632 142 A CA -0.504 51.452 52.037 -0.136 0.000 1.339 142 A CB -1.178 17.628 19.000 -0.325 0.000 1.136 142 A HN 1.024 nan 8.150 nan 0.000 0.577 143 N N 0.345 119.056 118.700 0.019 0.000 2.725 143 N HA -0.221 4.519 4.740 0.000 0.000 0.251 143 N C 1.031 176.598 175.510 0.094 0.000 1.031 143 N CA 2.428 55.523 53.050 0.076 0.000 0.720 143 N CB -1.058 37.523 38.487 0.157 0.000 0.930 143 N HN 1.582 nan 8.380 nan 0.000 0.543 144 G N -2.889 105.900 108.800 -0.019 0.000 2.391 144 G HA2 -0.264 3.696 3.960 0.000 0.000 0.204 144 G HA3 -0.264 3.696 3.960 0.000 0.000 0.204 144 G C -0.249 174.505 174.900 -0.243 0.000 1.012 144 G CA -0.084 44.916 45.100 -0.166 0.000 0.651 144 G HN 0.329 nan 8.290 nan 0.000 0.494 145 Y N 1.412 121.723 120.300 0.019 0.000 2.334 145 Y HA 0.688 5.238 4.550 0.000 0.000 0.328 145 Y C 0.934 176.807 175.900 -0.044 0.000 1.130 145 Y CA -0.738 57.369 58.100 0.012 0.000 1.163 145 Y CB 0.965 39.444 38.460 0.032 0.000 1.207 145 Y HN 0.244 nan 8.280 nan 0.000 0.471 146 R N 2.301 122.936 120.500 0.224 0.000 2.347 146 R HA 0.117 4.457 4.340 0.000 0.000 0.304 146 R C -0.599 175.684 176.300 -0.029 0.000 1.072 146 R CA -0.198 55.992 56.100 0.149 0.000 0.980 146 R CB 0.404 30.780 30.300 0.126 0.000 0.986 146 R HN 0.757 nan 8.270 nan 0.000 0.448 147 Q N 2.947 122.668 119.800 -0.132 0.000 3.181 147 Q HA 0.082 4.422 4.340 0.000 0.000 0.293 147 Q C -0.075 175.915 176.000 -0.016 0.000 1.406 147 Q CA -0.305 55.389 55.803 -0.182 0.000 1.026 147 Q CB 0.589 29.214 28.738 -0.188 0.000 1.630 147 Q HN 0.652 nan 8.270 nan 0.000 0.553 148 S N -1.378 114.353 115.700 0.051 0.000 2.624 148 S HA 0.092 4.562 4.470 0.000 0.000 0.263 148 S C 1.248 175.813 174.600 -0.059 0.000 1.287 148 S CA -0.743 57.472 58.200 0.026 0.000 0.990 148 S CB 1.450 64.752 63.200 0.170 0.000 0.950 148 S HN 0.304 nan 8.310 nan 0.000 0.561 149 V N 1.130 120.907 119.914 -0.228 0.000 2.370 149 V HA -0.194 3.926 4.120 0.000 0.000 0.252 149 V C 1.847 177.642 176.094 -0.499 0.000 1.068 149 V CA 2.193 64.256 62.300 -0.395 0.000 1.061 149 V CB -1.190 30.363 31.823 -0.451 0.000 0.656 149 V HN 0.826 nan 8.190 nan 0.000 0.455 150 F N -0.963 118.910 119.950 -0.128 0.000 2.134 150 F HA -0.128 4.399 4.527 0.000 0.000 0.299 150 F C 2.236 177.783 175.800 -0.421 0.000 1.097 150 F CA 2.122 59.929 58.000 -0.322 0.000 1.264 150 F CB -1.294 37.224 39.000 -0.803 0.000 1.001 150 F HN 0.256 nan 8.300 nan 0.000 0.479 151 Y N 1.144 121.284 120.300 -0.267 0.000 2.114 151 Y HA -0.224 4.326 4.550 0.000 0.000 0.284 151 Y C 2.653 178.557 175.900 0.007 0.000 1.143 151 Y CA 1.622 59.750 58.100 0.046 0.000 1.135 151 Y CB -0.365 38.179 38.460 0.141 0.000 0.980 151 Y HN -0.141 nan 8.280 nan 0.000 0.499 152 R N -0.380 120.200 120.500 0.133 0.000 2.094 152 R HA -0.224 4.116 4.340 0.000 0.000 0.239 152 R C 2.230 178.438 176.300 -0.154 0.000 1.137 152 R CA 1.856 57.955 56.100 -0.002 0.000 0.943 152 R CB -0.412 29.842 30.300 -0.077 0.000 0.850 152 R HN 0.427 nan 8.270 nan 0.000 0.433 153 Q N -0.456 119.148 119.800 -0.327 0.000 2.167 153 Q HA -0.102 4.238 4.340 0.000 0.000 0.202 153 Q C 1.858 177.667 176.000 -0.318 0.000 0.970 153 Q CA 1.333 56.849 55.803 -0.478 0.000 0.855 153 Q CB -0.078 27.922 28.738 -1.229 0.000 0.911 153 Q HN 0.320 nan 8.270 nan 0.000 0.438 154 F N 0.183 119.989 119.950 -0.241 0.000 2.780 154 F HA 0.169 4.696 4.527 0.000 0.000 0.299 154 F C 1.299 176.987 175.800 -0.187 0.000 1.146 154 F CA 0.569 58.477 58.000 -0.154 0.000 1.428 154 F CB -0.112 38.847 39.000 -0.068 0.000 1.115 154 F HN 0.141 nan 8.300 nan 0.000 0.583 155 G N 0.990 109.722 108.800 -0.113 0.000 2.372 155 G HA2 0.139 4.099 3.960 0.000 0.000 0.297 155 G HA3 0.139 4.099 3.960 0.000 0.000 0.297 155 G C 0.568 175.267 174.900 -0.335 0.000 1.005 155 G CA 0.348 45.336 45.100 -0.188 0.000 1.173 155 G HN 1.071 nan 8.290 nan 0.000 0.511 156 G N -0.483 107.858 108.800 -0.765 0.000 2.343 156 G HA2 0.364 4.324 3.960 0.000 0.000 0.562 156 G HA3 0.364 4.324 3.960 0.000 0.000 0.562 156 G C -1.932 172.567 174.900 -0.667 0.000 1.269 156 G CA 0.087 44.540 45.100 -1.079 0.000 1.011 156 G HN 0.573 nan 8.290 nan 0.000 0.498 157 P HA 0.191 nan 4.420 nan 0.000 0.257 157 P C 0.842 177.911 177.300 -0.385 0.000 1.281 157 P CA 0.570 63.400 63.100 -0.451 0.000 0.826 157 P CB 0.254 31.480 31.700 -0.790 0.000 1.237 158 E N -0.318 119.751 120.200 -0.218 0.000 2.268 158 E HA -0.195 4.155 4.350 0.000 0.000 0.195 158 E C 1.734 178.198 176.600 -0.228 0.000 0.995 158 E CA 0.953 57.276 56.400 -0.127 0.000 0.836 158 E CB -1.113 28.608 29.700 0.035 0.000 0.763 158 E HN 0.478 nan 8.360 nan 0.000 0.491 159 Y N -0.213 119.788 120.300 -0.499 0.000 2.241 159 Y HA -0.229 4.321 4.550 0.000 0.000 0.286 159 Y C 1.698 177.431 175.900 -0.279 0.000 1.166 159 Y CA 1.063 58.557 58.100 -1.011 0.000 1.203 159 Y CB -0.537 37.179 38.460 -1.239 0.000 0.977 159 Y HN -0.003 nan 8.280 nan 0.000 0.529 160 I N 0.824 120.974 120.570 -0.699 0.000 2.193 160 I HA -0.210 3.960 4.170 0.000 0.000 0.240 160 I C 1.906 178.062 176.117 0.066 0.000 1.084 160 I CA 1.597 62.716 61.300 -0.302 0.000 1.365 160 I CB -0.533 37.270 38.000 -0.328 0.000 1.064 160 I HN 0.123 nan 8.210 nan 0.000 0.410 161 D N 0.805 121.187 120.400 -0.029 0.000 2.157 161 D HA -0.299 4.341 4.640 0.000 0.000 0.191 161 D C 1.987 178.367 176.300 0.134 0.000 1.004 161 D CA 1.770 55.797 54.000 0.045 0.000 0.854 161 D CB -0.198 40.596 40.800 -0.009 0.000 0.936 161 D HN 0.411 nan 8.370 nan 0.000 0.446 162 E N 0.146 120.409 120.200 0.105 0.000 2.106 162 E HA -0.138 4.212 4.350 0.000 0.000 0.192 162 E C 1.942 178.684 176.600 0.236 0.000 0.984 162 E CA 1.194 57.705 56.400 0.185 0.000 0.806 162 E CB -0.126 29.705 29.700 0.218 0.000 0.750 162 E HN 0.244 nan 8.360 nan 0.000 0.458 163 A N 0.136 123.107 122.820 0.252 0.000 1.877 163 A HA -0.135 4.185 4.320 0.000 0.000 0.216 163 A C 1.980 179.560 177.584 -0.006 0.000 1.186 163 A CA 1.374 53.477 52.037 0.110 0.000 0.620 163 A CB -0.956 18.093 19.000 0.081 0.000 0.822 163 A HN 0.397 nan 8.150 nan 0.000 0.443 164 F N -0.133 119.840 119.950 0.039 0.000 2.102 164 F HA -0.134 4.393 4.527 0.000 0.000 0.298 164 F C 2.630 178.442 175.800 0.020 0.000 1.105 164 F CA 1.834 59.850 58.000 0.026 0.000 1.239 164 F CB -0.277 38.739 39.000 0.026 0.000 0.991 164 F HN 0.101 nan 8.300 nan 0.000 0.474 165 R N -0.271 120.359 120.500 0.217 0.000 2.083 165 R HA -0.192 4.148 4.340 0.000 0.000 0.237 165 R C 2.294 178.644 176.300 0.082 0.000 1.137 165 R CA 1.724 57.902 56.100 0.130 0.000 0.951 165 R CB -0.452 29.917 30.300 0.114 0.000 0.851 165 R HN 0.156 nan 8.270 nan 0.000 0.434 166 R N 0.242 120.782 120.500 0.067 0.000 2.073 166 R HA -0.076 4.264 4.340 0.000 0.000 0.234 166 R C 2.298 178.578 176.300 -0.035 0.000 1.134 166 R CA 1.530 57.641 56.100 0.019 0.000 0.952 166 R CB -0.367 29.939 30.300 0.010 0.000 0.850 166 R HN 0.259 nan 8.270 nan 0.000 0.433 167 A N 0.611 123.384 122.820 -0.079 0.000 1.908 167 A HA -0.250 4.070 4.320 0.000 0.000 0.218 167 A C 2.098 179.664 177.584 -0.031 0.000 1.181 167 A CA 1.868 53.826 52.037 -0.132 0.000 0.627 167 A CB -0.529 18.337 19.000 -0.223 0.000 0.818 167 A HN 0.313 nan 8.150 nan 0.000 0.445 168 R N -0.222 120.294 120.500 0.027 0.000 2.081 168 R HA -0.024 4.316 4.340 0.000 0.000 0.235 168 R C 2.175 178.498 176.300 0.039 0.000 1.131 168 R CA 1.745 57.880 56.100 0.059 0.000 0.960 168 R CB -0.545 29.806 30.300 0.084 0.000 0.856 168 R HN 0.379 nan 8.270 nan 0.000 0.436 169 A N 0.334 123.170 122.820 0.027 0.000 1.930 169 A HA -0.012 4.308 4.320 0.000 0.000 0.217 169 A C 2.327 179.912 177.584 0.003 0.000 1.175 169 A CA 1.578 53.625 52.037 0.017 0.000 0.627 169 A CB -0.805 18.206 19.000 0.018 0.000 0.815 169 A HN 0.536 nan 8.150 nan 0.000 0.443 170 A N -1.687 121.125 122.820 -0.014 0.000 2.016 170 A HA 0.145 4.465 4.320 0.000 0.000 0.217 170 A C 0.803 178.384 177.584 -0.004 0.000 1.162 170 A CA 1.390 53.409 52.037 -0.029 0.000 0.662 170 A CB 0.063 19.020 19.000 -0.070 0.000 0.812 170 A HN 0.360 nan 8.150 nan 0.000 0.450 171 D N -2.049 118.364 120.400 0.022 0.000 2.411 171 D HA 0.282 4.922 4.640 0.000 0.000 0.239 171 D C -2.589 173.754 176.300 0.073 0.000 1.307 171 D CA -1.355 52.682 54.000 0.061 0.000 0.930 171 D CB 1.138 42.011 40.800 0.121 0.000 1.395 171 D HN -0.092 nan 8.370 nan 0.000 0.536 172 P HA -0.031 nan 4.420 nan 0.000 0.230 172 P C 1.279 178.619 177.300 0.066 0.000 1.158 172 P CA 0.995 64.128 63.100 0.055 0.000 0.769 172 P CB 0.243 31.966 31.700 0.038 0.000 0.807 173 T N -3.872 110.726 114.554 0.073 0.000 3.035 173 T HA 0.246 4.596 4.350 0.000 0.000 0.259 173 T C 1.051 175.815 174.700 0.108 0.000 1.078 173 T CA 0.037 62.184 62.100 0.079 0.000 1.132 173 T CB -0.610 68.298 68.868 0.066 0.000 0.900 173 T HN 0.004 nan 8.240 nan 0.000 0.480 174 A N 1.653 124.562 122.820 0.147 0.000 2.477 174 A HA 0.322 4.642 4.320 0.000 0.000 0.246 174 A C 0.157 177.858 177.584 0.194 0.000 1.078 174 A CA -0.457 51.700 52.037 0.201 0.000 0.770 174 A CB -0.099 19.099 19.000 0.331 0.000 1.011 174 A HN 0.544 nan 8.150 nan 0.000 0.494 175 E N 1.361 121.685 120.200 0.206 0.000 2.351 175 E HA 0.241 4.591 4.350 0.000 0.000 0.266 175 E C -0.936 175.803 176.600 0.231 0.000 1.031 175 E CA 0.242 56.751 56.400 0.182 0.000 0.911 175 E CB 0.350 30.212 29.700 0.270 0.000 0.986 175 E HN 0.521 nan 8.360 nan 0.000 0.446 176 L N 4.823 126.112 121.223 0.110 0.000 2.287 176 L HA 0.377 4.717 4.340 0.000 0.000 0.287 176 L C -0.835 176.168 176.870 0.221 0.000 1.022 176 L CA -0.724 54.270 54.840 0.256 0.000 0.814 176 L CB 0.507 42.757 42.059 0.319 0.000 1.217 176 L HN 0.504 nan 8.230 nan 0.000 0.420 177 Y N 1.692 122.241 120.300 0.415 0.000 2.409 177 Y HA 0.316 4.866 4.550 0.000 0.000 0.339 177 Y C -0.339 175.859 175.900 0.497 0.000 1.033 177 Y CA -0.523 57.820 58.100 0.405 0.000 1.094 177 Y CB 1.860 40.511 38.460 0.318 0.000 1.210 177 Y HN 0.361 nan 8.280 nan 0.000 0.456 178 Y N 3.605 124.237 120.300 0.553 0.000 2.327 178 Y HA 0.382 4.932 4.550 0.000 0.000 0.336 178 Y C -0.700 175.342 175.900 0.237 0.000 1.035 178 Y CA -0.622 57.722 58.100 0.407 0.000 1.165 178 Y CB 0.566 39.193 38.460 0.279 0.000 1.181 178 Y HN 0.714 nan 8.280 nan 0.000 0.494 179 N N 3.954 122.204 118.700 -0.749 0.000 2.272 179 N HA 0.462 5.202 4.740 0.000 0.000 0.305 179 N C -2.021 173.111 175.510 -0.630 0.000 1.103 179 N CA -0.382 52.388 53.050 -0.467 0.000 0.791 179 N CB 1.597 39.962 38.487 -0.204 0.000 1.356 179 N HN 0.782 nan 8.380 nan 0.000 0.486 180 D N -0.152 120.044 120.400 -0.339 0.000 2.725 180 D HA 0.314 4.954 4.640 0.000 0.000 0.292 180 D C -1.542 174.748 176.300 -0.016 0.000 1.288 180 D CA -0.331 53.572 54.000 -0.163 0.000 0.784 180 D CB 0.740 41.439 40.800 -0.168 0.000 1.308 180 D HN 0.293 nan 8.370 nan 0.000 0.429 181 F N 0.241 120.176 119.950 -0.024 0.000 2.575 181 F HA 0.610 5.137 4.527 0.000 0.000 0.330 181 F C 1.026 176.864 175.800 0.063 0.000 1.056 181 F CA -0.730 57.292 58.000 0.036 0.000 0.964 181 F CB 0.610 39.676 39.000 0.110 0.000 1.258 181 F HN 0.283 nan 8.300 nan 0.000 0.484 182 N N -1.161 117.640 118.700 0.169 0.000 2.936 182 N HA -0.221 4.519 4.740 0.000 0.000 0.236 182 N C 0.993 176.529 175.510 0.043 0.000 0.930 182 N CA 1.713 54.828 53.050 0.107 0.000 0.966 182 N CB -1.658 36.835 38.487 0.011 0.000 1.090 182 N HN 0.985 nan 8.380 nan 0.000 0.592 183 T N -1.264 113.304 114.554 0.023 0.000 3.113 183 T HA -0.094 4.256 4.350 0.000 0.000 0.263 183 T C 1.366 176.234 174.700 0.280 0.000 1.143 183 T CA 1.251 63.388 62.100 0.062 0.000 1.090 183 T CB 0.004 68.807 68.868 -0.109 0.000 0.922 183 T HN 0.482 nan 8.240 nan 0.000 0.521 184 E N 1.691 122.074 120.200 0.305 0.000 2.489 184 E HA -0.028 4.322 4.350 0.000 0.000 0.193 184 E C 1.248 177.886 176.600 0.063 0.000 1.057 184 E CA 0.314 56.843 56.400 0.214 0.000 0.866 184 E CB -0.192 29.587 29.700 0.132 0.000 0.916 184 E HN 0.629 nan 8.360 nan 0.000 0.500 185 E N 0.989 121.227 120.200 0.063 0.000 2.347 185 E HA -0.091 4.259 4.350 0.000 0.000 0.196 185 E C 0.114 176.721 176.600 0.011 0.000 1.008 185 E CA 0.345 56.748 56.400 0.005 0.000 0.852 185 E CB -0.201 29.540 29.700 0.069 0.000 0.783 185 E HN 0.157 nan 8.360 nan 0.000 0.505 186 N N -0.323 118.402 118.700 0.042 0.000 2.783 186 N HA -0.133 4.607 4.740 0.000 0.000 0.247 186 N C -0.484 175.048 175.510 0.037 0.000 1.089 186 N CA 0.804 53.877 53.050 0.037 0.000 0.690 186 N CB -1.096 37.399 38.487 0.013 0.000 0.991 186 N HN 0.296 nan 8.380 nan 0.000 0.552 187 G N -1.363 107.463 108.800 0.043 0.000 3.212 187 G HA2 0.709 4.669 3.960 0.000 0.000 0.188 187 G HA3 0.709 4.669 3.960 0.000 0.000 0.188 187 G C 1.002 175.921 174.900 0.031 0.000 1.254 187 G CA 0.142 45.267 45.100 0.042 0.000 0.957 187 G HN 0.455 nan 8.290 nan 0.000 0.596 188 A N -0.364 122.474 122.820 0.031 0.000 1.917 188 A HA -0.076 4.244 4.320 0.000 0.000 0.219 188 A C 2.181 179.770 177.584 0.008 0.000 1.182 188 A CA 2.418 54.469 52.037 0.024 0.000 0.633 188 A CB -0.591 18.432 19.000 0.038 0.000 0.819 188 A HN 0.544 nan 8.150 nan 0.000 0.448 189 K N -1.119 119.280 120.400 -0.002 0.000 2.032 189 K HA -0.141 4.179 4.320 0.000 0.000 0.209 189 K C 2.139 178.720 176.600 -0.032 0.000 1.048 189 K CA 1.904 58.169 56.287 -0.038 0.000 0.927 189 K CB -0.335 32.116 32.500 -0.081 0.000 0.712 189 K HN 0.519 nan 8.250 nan 0.000 0.441 190 T N 0.264 114.820 114.554 0.004 0.000 2.684 190 T HA -0.153 4.197 4.350 0.000 0.000 0.267 190 T C 1.786 176.491 174.700 0.007 0.000 1.036 190 T CA 1.960 64.077 62.100 0.028 0.000 1.148 190 T CB -0.545 68.362 68.868 0.065 0.000 0.863 190 T HN 0.345 nan 8.240 nan 0.000 0.436 191 T N 2.154 116.709 114.554 0.003 0.000 2.635 191 T HA -0.149 4.201 4.350 0.000 0.000 0.267 191 T C 2.375 177.054 174.700 -0.035 0.000 1.040 191 T CA 1.443 63.539 62.100 -0.008 0.000 1.156 191 T CB -0.690 68.176 68.868 -0.002 0.000 0.863 191 T HN 0.469 nan 8.240 nan 0.000 0.430 192 A N 0.938 123.724 122.820 -0.056 0.000 1.972 192 A HA -0.011 4.309 4.320 0.000 0.000 0.219 192 A C 2.250 179.748 177.584 -0.144 0.000 1.169 192 A CA 1.332 53.300 52.037 -0.115 0.000 0.635 192 A CB -0.747 18.167 19.000 -0.143 0.000 0.810 192 A HN 0.427 nan 8.150 nan 0.000 0.446 193 L N -0.067 121.095 121.223 -0.102 0.000 2.017 193 L HA -0.108 4.232 4.340 0.000 0.000 0.208 193 L C 2.332 179.146 176.870 -0.093 0.000 1.073 193 L CA 1.987 56.764 54.840 -0.105 0.000 0.745 193 L CB -0.506 41.512 42.059 -0.068 0.000 0.894 193 L HN 0.140 nan 8.230 nan 0.000 0.432 194 V N 0.120 120.004 119.914 -0.050 0.000 2.407 194 V HA -0.305 3.815 4.120 0.000 0.000 0.248 194 V C 2.256 178.320 176.094 -0.051 0.000 1.055 194 V CA 2.179 64.458 62.300 -0.034 0.000 1.049 194 V CB -1.046 30.772 31.823 -0.008 0.000 0.662 194 V HN 0.557 nan 8.190 nan 0.000 0.455 195 N N -0.020 118.645 118.700 -0.058 0.000 2.058 195 N HA -0.173 4.567 4.740 0.000 0.000 0.191 195 N C 1.953 177.433 175.510 -0.051 0.000 1.037 195 N CA 1.423 54.447 53.050 -0.044 0.000 0.848 195 N CB -0.193 38.272 38.487 -0.037 0.000 1.021 195 N HN 0.386 nan 8.380 nan 0.000 0.422 196 L N 1.068 122.231 121.223 -0.100 0.000 1.997 196 L HA -0.233 4.107 4.340 0.000 0.000 0.216 196 L C 2.023 178.801 176.870 -0.153 0.000 1.074 196 L CA 1.343 56.112 54.840 -0.119 0.000 0.763 196 L CB -0.258 41.628 42.059 -0.288 0.000 0.890 196 L HN 0.048 nan 8.230 nan 0.000 0.434 197 V N -0.636 119.181 119.914 -0.161 0.000 2.358 197 V HA -0.309 3.811 4.120 0.000 0.000 0.246 197 V C 2.425 178.456 176.094 -0.105 0.000 1.047 197 V CA 1.957 64.170 62.300 -0.145 0.000 1.035 197 V CB -0.524 31.239 31.823 -0.099 0.000 0.658 197 V HN 0.528 nan 8.190 nan 0.000 0.452 198 Q N -0.242 119.515 119.800 -0.071 0.000 2.077 198 Q HA -0.290 4.050 4.340 0.000 0.000 0.206 198 Q C 2.483 178.451 176.000 -0.053 0.000 0.989 198 Q CA 2.393 58.166 55.803 -0.051 0.000 0.853 198 Q CB -0.252 28.467 28.738 -0.032 0.000 0.907 198 Q HN 0.548 nan 8.270 nan 0.000 0.418 199 R N 0.130 120.600 120.500 -0.050 0.000 2.080 199 R HA -0.180 4.160 4.340 0.000 0.000 0.236 199 R C 2.190 178.444 176.300 -0.076 0.000 1.137 199 R CA 1.505 57.578 56.100 -0.045 0.000 0.943 199 R CB -0.348 29.942 30.300 -0.015 0.000 0.846 199 R HN 0.279 nan 8.270 nan 0.000 0.431 200 L N 0.711 121.862 121.223 -0.120 0.000 2.012 200 L HA -0.231 4.109 4.340 0.000 0.000 0.210 200 L C 2.578 179.369 176.870 -0.132 0.000 1.073 200 L CA 1.404 56.145 54.840 -0.165 0.000 0.748 200 L CB -0.545 41.349 42.059 -0.277 0.000 0.891 200 L HN 0.316 nan 8.230 nan 0.000 0.431 201 L N -0.444 120.710 121.223 -0.115 0.000 2.017 201 L HA -0.214 4.126 4.340 0.000 0.000 0.208 201 L C 2.434 179.269 176.870 -0.059 0.000 1.073 201 L CA 1.073 55.863 54.840 -0.084 0.000 0.745 201 L CB -0.769 41.249 42.059 -0.069 0.000 0.894 201 L HN 0.345 nan 8.230 nan 0.000 0.432 202 N N 0.732 119.402 118.700 -0.050 0.000 2.094 202 N HA -0.207 4.533 4.740 0.000 0.000 0.191 202 N C 1.375 176.864 175.510 -0.035 0.000 1.023 202 N CA 1.563 54.591 53.050 -0.036 0.000 0.857 202 N CB -0.683 37.786 38.487 -0.030 0.000 1.013 202 N HN 0.488 nan 8.380 nan 0.000 0.426 203 N N -0.011 118.662 118.700 -0.044 0.000 2.521 203 N HA 0.052 4.792 4.740 0.000 0.000 0.188 203 N C 0.588 176.078 175.510 -0.033 0.000 1.146 203 N CA 0.322 53.350 53.050 -0.037 0.000 0.893 203 N CB 0.171 38.633 38.487 -0.042 0.000 0.975 203 N HN 0.261 nan 8.380 nan 0.000 0.451 204 G N 0.884 109.661 108.800 -0.039 0.000 2.198 204 G HA2 -0.253 3.707 3.960 0.000 0.000 0.257 204 G HA3 -0.253 3.707 3.960 0.000 0.000 0.257 204 G C -0.078 174.801 174.900 -0.034 0.000 1.042 204 G CA -0.149 44.932 45.100 -0.031 0.000 0.791 204 G HN 0.142 nan 8.290 nan 0.000 0.502 205 V N 1.438 121.312 119.914 -0.066 0.000 2.546 205 V HA 0.430 4.550 4.120 0.000 0.000 0.284 205 V C -1.141 174.901 176.094 -0.086 0.000 1.050 205 V CA -1.158 61.099 62.300 -0.072 0.000 0.981 205 V CB 1.546 33.288 31.823 -0.134 0.000 0.990 205 V HN 0.241 nan 8.190 nan 0.000 0.474 206 P HA 0.281 nan 4.420 nan 0.000 0.244 206 P C -0.461 176.874 177.300 0.060 0.000 1.769 206 P CA 0.191 63.309 63.100 0.029 0.000 1.102 206 P CB 0.161 31.912 31.700 0.086 0.000 1.937 207 I N 1.638 122.133 120.570 -0.125 0.000 2.336 207 I HA 0.218 4.388 4.170 0.000 0.000 0.292 207 I C 0.312 176.377 176.117 -0.087 0.000 0.991 207 I CA -0.480 60.712 61.300 -0.182 0.000 1.227 207 I CB 1.552 39.218 38.000 -0.556 0.000 1.366 207 I HN -0.039 nan 8.210 nan 0.000 0.466 208 D N 5.620 125.975 120.400 -0.075 0.000 2.388 208 D HA 0.267 4.907 4.640 0.000 0.000 0.208 208 D C 0.478 176.623 176.300 -0.260 0.000 1.035 208 D CA 0.388 54.295 54.000 -0.155 0.000 0.875 208 D CB 1.125 41.829 40.800 -0.160 0.000 0.984 208 D HN 0.667 nan 8.370 nan 0.000 0.508 209 G N -0.243 108.353 108.800 -0.340 0.000 2.601 209 G HA2 0.437 4.397 3.960 0.000 0.000 0.291 209 G HA3 0.437 4.397 3.960 0.000 0.000 0.291 209 G C -1.742 173.230 174.900 0.121 0.000 1.456 209 G CA -0.490 44.459 45.100 -0.251 0.000 0.804 209 G HN -0.083 nan 8.290 nan 0.000 0.499 210 V N 0.227 120.336 119.914 0.324 0.000 2.448 210 V HA 0.767 4.887 4.120 0.000 0.000 0.295 210 V C 0.805 177.104 176.094 0.342 0.000 1.025 210 V CA -0.131 62.360 62.300 0.318 0.000 0.859 210 V CB 1.631 33.551 31.823 0.163 0.000 0.988 210 V HN 1.151 nan 8.190 nan 0.000 0.431 211 G N 3.384 112.301 108.800 0.194 0.000 2.322 211 G HA2 0.603 4.563 3.960 0.000 0.000 0.309 211 G HA3 0.603 4.563 3.960 0.000 0.000 0.309 211 G C -1.072 173.773 174.900 -0.091 0.000 1.121 211 G CA -0.243 44.883 45.100 0.042 0.000 0.886 211 G HN 0.428 nan 8.290 nan 0.000 0.447 212 F N 1.433 121.361 119.950 -0.036 0.000 2.361 212 F HA 0.267 4.794 4.527 -0.000 0.000 0.364 212 F C 1.738 177.452 175.800 -0.144 0.000 1.120 212 F CA -0.575 57.393 58.000 -0.054 0.000 1.102 212 F CB 1.937 40.922 39.000 -0.026 0.000 1.183 212 F HN 0.577 nan 8.300 nan 0.000 0.476 213 Q N 2.956 122.731 119.800 -0.042 0.000 2.062 213 Q HA -0.210 4.130 4.340 0.000 0.000 0.209 213 Q C 0.618 176.428 176.000 -0.317 0.000 0.996 213 Q CA 1.459 57.107 55.803 -0.259 0.000 0.859 213 Q CB -0.091 28.499 28.738 -0.246 0.000 0.920 213 Q HN 0.604 nan 8.270 nan 0.000 0.415 214 M N 0.084 119.625 119.600 -0.097 0.000 2.353 214 M HA -0.157 4.323 4.480 0.000 0.000 0.202 214 M C -1.206 175.006 176.300 -0.147 0.000 0.434 214 M CA 0.646 55.898 55.300 -0.080 0.000 0.477 214 M CB -2.108 30.432 32.600 -0.100 0.000 1.592 214 M HN 0.339 nan 8.290 nan 0.000 0.895 215 H N 0.711 119.837 119.070 0.093 0.000 3.224 215 H HA 0.461 5.017 4.556 0.000 0.000 0.265 215 H C 0.613 176.013 175.328 0.121 0.000 1.461 215 H CA 0.186 56.315 56.048 0.135 0.000 1.509 215 H CB -0.204 29.685 29.762 0.211 0.000 1.686 215 H HN 0.456 nan 8.280 nan 0.000 0.514 216 V N 0.686 120.687 119.914 0.146 0.000 2.994 216 V HA 0.573 4.693 4.120 0.000 0.000 0.318 216 V C 0.341 176.491 176.094 0.094 0.000 1.085 216 V CA -1.199 61.164 62.300 0.104 0.000 0.998 216 V CB 2.445 34.273 31.823 0.008 0.000 1.063 216 V HN 0.339 nan 8.190 nan 0.000 0.447 217 M N 1.447 121.126 119.600 0.133 0.000 2.573 217 M HA 0.472 4.952 4.480 0.000 0.000 0.309 217 M C 1.094 177.451 176.300 0.095 0.000 1.202 217 M CA -0.744 54.633 55.300 0.129 0.000 0.975 217 M CB 1.232 33.951 32.600 0.198 0.000 1.600 217 M HN 0.776 nan 8.290 nan 0.000 0.479 218 N N 0.772 119.531 118.700 0.098 0.000 2.137 218 N HA -0.149 4.591 4.740 0.000 0.000 0.190 218 N C 0.209 175.767 175.510 0.079 0.000 1.017 218 N CA 1.428 54.526 53.050 0.080 0.000 0.859 218 N CB 0.046 38.599 38.487 0.111 0.000 1.002 218 N HN 0.532 nan 8.380 nan 0.000 0.428 219 D N -2.308 118.164 120.400 0.120 0.000 2.513 219 D HA 0.060 4.700 4.640 0.000 0.000 0.222 219 D C -0.787 175.621 176.300 0.180 0.000 1.210 219 D CA -0.104 53.969 54.000 0.121 0.000 0.825 219 D CB 0.821 41.688 40.800 0.112 0.000 1.037 219 D HN 0.190 nan 8.370 nan 0.000 0.506 220 Y N 1.254 121.585 120.300 0.051 0.000 2.436 220 Y HA 0.301 4.851 4.550 0.000 0.000 0.327 220 Y C -2.801 173.135 175.900 0.060 0.000 1.138 220 Y CA -1.647 56.488 58.100 0.059 0.000 1.042 220 Y CB 2.133 40.643 38.460 0.083 0.000 1.302 220 Y HN -0.231 nan 8.280 nan 0.000 0.439 221 P HA 0.206 nan 4.420 nan 0.000 0.276 221 P C -0.644 176.410 177.300 -0.409 0.000 1.261 221 P CA -0.341 62.084 63.100 -1.125 0.000 0.800 221 P CB 0.871 32.107 31.700 -0.775 0.000 1.066 222 S N -0.033 115.501 115.700 -0.276 0.000 2.573 222 S HA 0.033 4.503 4.470 0.000 0.000 0.277 222 S C 1.350 175.886 174.600 -0.108 0.000 1.346 222 S CA -0.336 57.794 58.200 -0.116 0.000 1.034 222 S CB -0.471 62.693 63.200 -0.060 0.000 0.879 222 S HN 0.298 nan 8.310 nan 0.000 0.528 223 I N 0.970 121.498 120.570 -0.070 0.000 2.614 223 I HA 0.099 4.269 4.170 0.000 0.000 0.258 223 I C 2.354 178.433 176.117 -0.064 0.000 1.189 223 I CA 1.116 62.375 61.300 -0.068 0.000 1.462 223 I CB -1.787 36.185 38.000 -0.048 0.000 1.092 223 I HN 0.743 nan 8.210 nan 0.000 0.442 224 A N 1.367 124.156 122.820 -0.051 0.000 1.930 224 A HA -0.150 4.170 4.320 0.000 0.000 0.217 224 A C 2.168 179.723 177.584 -0.048 0.000 1.175 224 A CA 1.618 53.630 52.037 -0.042 0.000 0.627 224 A CB -0.764 18.220 19.000 -0.027 0.000 0.815 224 A HN 0.479 nan 8.150 nan 0.000 0.443 225 N N 0.275 118.939 118.700 -0.060 0.000 2.084 225 N HA -0.101 4.639 4.740 0.000 0.000 0.190 225 N C 1.713 177.180 175.510 -0.072 0.000 1.030 225 N CA 1.571 54.584 53.050 -0.061 0.000 0.849 225 N CB -0.447 37.992 38.487 -0.079 0.000 1.012 225 N HN 0.553 nan 8.380 nan 0.000 0.423 226 I N 1.188 121.699 120.570 -0.099 0.000 2.163 226 I HA -0.272 3.898 4.170 0.000 0.000 0.243 226 I C 2.639 178.671 176.117 -0.142 0.000 1.085 226 I CA 1.094 62.319 61.300 -0.125 0.000 1.347 226 I CB -0.171 37.752 38.000 -0.130 0.000 1.044 226 I HN 0.102 nan 8.210 nan 0.000 0.408 227 R N 0.387 120.824 120.500 -0.106 0.000 2.080 227 R HA -0.215 4.125 4.340 0.000 0.000 0.236 227 R C 2.352 178.602 176.300 -0.083 0.000 1.137 227 R CA 1.813 57.856 56.100 -0.095 0.000 0.943 227 R CB -0.448 29.813 30.300 -0.065 0.000 0.846 227 R HN 0.490 nan 8.270 nan 0.000 0.431 228 Q N -0.553 119.214 119.800 -0.056 0.000 2.135 228 Q HA -0.134 4.206 4.340 0.000 0.000 0.204 228 Q C 2.046 178.035 176.000 -0.018 0.000 0.981 228 Q CA 1.632 57.416 55.803 -0.032 0.000 0.856 228 Q CB -0.078 28.649 28.738 -0.018 0.000 0.902 228 Q HN 0.368 nan 8.270 nan 0.000 0.425 229 A N 0.381 123.188 122.820 -0.021 0.000 1.930 229 A HA -0.158 4.162 4.320 0.000 0.000 0.217 229 A C 1.992 179.614 177.584 0.064 0.000 1.175 229 A CA 1.181 53.248 52.037 0.050 0.000 0.627 229 A CB -0.360 18.690 19.000 0.083 0.000 0.815 229 A HN 0.283 nan 8.150 nan 0.000 0.443 230 M N -1.259 118.264 119.600 -0.128 0.000 2.156 230 M HA -0.177 4.303 4.480 0.000 0.000 0.264 230 M C 2.467 178.749 176.300 -0.029 0.000 1.067 230 M CA 1.427 56.619 55.300 -0.180 0.000 1.131 230 M CB -0.472 31.923 32.600 -0.342 0.000 1.368 230 M HN 0.480 nan 8.290 nan 0.000 0.416 231 Q N 0.616 120.389 119.800 -0.046 0.000 2.077 231 Q HA -0.234 4.106 4.340 0.000 0.000 0.206 231 Q C 1.984 177.990 176.000 0.010 0.000 0.989 231 Q CA 1.770 57.559 55.803 -0.024 0.000 0.853 231 Q CB -0.136 28.584 28.738 -0.029 0.000 0.907 231 Q HN 0.470 nan 8.270 nan 0.000 0.418 232 K N -0.071 120.347 120.400 0.031 0.000 2.063 232 K HA -0.159 4.161 4.320 0.000 0.000 0.208 232 K C 1.967 178.602 176.600 0.057 0.000 1.048 232 K CA 1.131 57.443 56.287 0.042 0.000 0.928 232 K CB -0.030 32.503 32.500 0.053 0.000 0.713 232 K HN 0.198 nan 8.250 nan 0.000 0.442 233 I N 0.522 121.155 120.570 0.105 0.000 2.353 233 I HA -0.160 4.010 4.170 0.000 0.000 0.248 233 I C 2.240 178.401 176.117 0.073 0.000 1.119 233 I CA 1.045 62.412 61.300 0.112 0.000 1.417 233 I CB -0.914 37.218 38.000 0.221 0.000 1.078 233 I HN -0.084 nan 8.210 nan 0.000 0.421 234 V N 1.687 121.634 119.914 0.054 0.000 2.490 234 V HA -0.212 3.908 4.120 0.000 0.000 0.250 234 V C 2.819 178.915 176.094 0.005 0.000 1.061 234 V CA 1.592 63.902 62.300 0.017 0.000 1.064 234 V CB -1.036 30.777 31.823 -0.018 0.000 0.670 234 V HN 0.446 nan 8.190 nan 0.000 0.461 235 A N -0.472 122.352 122.820 0.006 0.000 2.076 235 A HA -0.155 4.165 4.320 0.000 0.000 0.220 235 A C 2.186 179.770 177.584 0.000 0.000 1.160 235 A CA 1.528 53.565 52.037 0.000 0.000 0.653 235 A CB -0.463 18.538 19.000 0.001 0.000 0.801 235 A HN 0.538 nan 8.150 nan 0.000 0.455 236 L N -1.566 119.659 121.223 0.004 0.000 2.109 236 L HA 0.011 4.351 4.340 0.000 0.000 0.207 236 L C 1.064 177.928 176.870 -0.010 0.000 1.086 236 L CA 1.079 55.917 54.840 -0.003 0.000 0.760 236 L CB -0.022 42.035 42.059 -0.003 0.000 0.910 236 L HN 0.413 nan 8.230 nan 0.000 0.437 237 S N -2.059 113.636 115.700 -0.009 0.000 2.535 237 S HA 0.348 4.818 4.470 0.000 0.000 0.272 237 S C -2.223 172.371 174.600 -0.011 0.000 1.149 237 S CA -0.978 57.214 58.200 -0.013 0.000 0.888 237 S CB 1.765 64.954 63.200 -0.019 0.000 1.110 237 S HN -0.173 nan 8.310 nan 0.000 0.463 238 P HA 0.086 nan 4.420 nan 0.000 0.237 238 P C 0.873 178.167 177.300 -0.010 0.000 1.178 238 P CA 0.778 63.871 63.100 -0.011 0.000 0.766 238 P CB -0.101 31.593 31.700 -0.010 0.000 0.876 239 T N -4.841 109.707 114.554 -0.010 0.000 2.980 239 T HA 0.145 4.495 4.350 0.000 0.000 0.252 239 T C 0.617 175.313 174.700 -0.008 0.000 0.962 239 T CA -0.323 61.772 62.100 -0.008 0.000 0.932 239 T CB -0.736 68.126 68.868 -0.009 0.000 1.188 239 T HN -0.180 nan 8.240 nan 0.000 0.500 240 L N 3.123 124.340 121.223 -0.010 0.000 2.776 240 L HA 0.123 4.463 4.340 0.000 0.000 0.283 240 L C 0.305 177.187 176.870 0.021 0.000 1.194 240 L CA 0.617 55.454 54.840 -0.005 0.000 0.947 240 L CB -0.436 41.627 42.059 0.007 0.000 1.255 240 L HN 0.253 nan 8.230 nan 0.000 0.481 241 K N 5.001 125.418 120.400 0.028 0.000 2.154 241 K HA 0.482 4.803 4.320 0.000 0.000 0.264 241 K C -0.543 176.186 176.600 0.215 0.000 1.008 241 K CA -0.709 55.641 56.287 0.105 0.000 0.937 241 K CB 1.172 33.757 32.500 0.141 0.000 1.002 241 K HN 0.380 nan 8.250 nan 0.000 0.469 242 I N 2.362 123.067 120.570 0.226 0.000 2.404 242 I HA 0.305 4.475 4.170 0.000 0.000 0.293 242 I C -0.302 176.037 176.117 0.369 0.000 0.992 242 I CA -0.592 60.901 61.300 0.323 0.000 1.149 242 I CB 1.353 39.492 38.000 0.232 0.000 1.315 242 I HN 0.549 nan 8.210 nan 0.000 0.446 243 K N 6.361 126.947 120.400 0.310 0.000 2.376 243 K HA 0.593 4.913 4.320 0.000 0.000 0.257 243 K C -0.948 175.654 176.600 0.004 0.000 0.939 243 K CA -0.587 55.720 56.287 0.034 0.000 0.809 243 K CB 1.797 34.067 32.500 -0.384 0.000 1.121 243 K HN 0.504 nan 8.250 nan 0.000 0.425 244 I N 4.651 125.122 120.570 -0.165 0.000 2.363 244 I HA 0.007 4.177 4.170 0.000 0.000 0.292 244 I C 1.393 177.391 176.117 -0.199 0.000 1.075 244 I CA -0.031 61.162 61.300 -0.178 0.000 1.333 244 I CB 1.283 39.102 38.000 -0.301 0.000 1.415 244 I HN 0.839 nan 8.210 nan 0.000 0.502 245 T N 1.165 115.602 114.554 -0.195 0.000 3.039 245 T HA 0.144 4.494 4.350 0.000 0.000 0.250 245 T C 0.808 175.380 174.700 -0.213 0.000 1.052 245 T CA 0.322 62.277 62.100 -0.243 0.000 1.125 245 T CB 0.117 68.824 68.868 -0.268 0.000 0.908 245 T HN 0.600 nan 8.240 nan 0.000 0.473 246 E N 0.908 120.918 120.200 -0.316 0.000 4.170 246 E HA 0.305 4.655 4.350 0.000 0.000 0.199 246 E C -1.194 175.209 176.600 -0.327 0.000 1.080 246 E CA -0.469 55.675 56.400 -0.427 0.000 1.446 246 E CB 0.731 29.720 29.700 -1.184 0.000 1.170 246 E HN 0.214 nan 8.360 nan 0.000 0.429 247 L N 2.837 124.020 121.223 -0.065 0.000 2.462 247 L HA 0.179 4.519 4.340 0.000 0.000 0.272 247 L C -0.592 176.393 176.870 0.192 0.000 1.166 247 L CA 0.664 55.501 54.840 -0.006 0.000 0.880 247 L CB 0.043 42.120 42.059 0.030 0.000 1.142 247 L HN 0.172 nan 8.230 nan 0.000 0.473 248 D N 3.064 123.566 120.400 0.170 0.000 2.622 248 D HA 0.537 5.177 4.640 0.000 0.000 0.255 248 D C -1.506 174.852 176.300 0.097 0.000 1.246 248 D CA -0.581 53.578 54.000 0.265 0.000 0.795 248 D CB 1.506 42.561 40.800 0.425 0.000 1.369 248 D HN 0.217 nan 8.370 nan 0.000 0.425 249 V N 0.460 120.423 119.914 0.083 0.000 2.509 249 V HA 0.434 4.554 4.120 0.000 0.000 0.289 249 V C -0.250 175.894 176.094 0.083 0.000 1.026 249 V CA -0.771 61.518 62.300 -0.018 0.000 0.872 249 V CB 1.286 32.951 31.823 -0.264 0.000 1.017 249 V HN 0.441 nan 8.190 nan 0.000 0.436 250 R N 2.709 123.242 120.500 0.055 0.000 2.390 250 R HA 0.397 4.737 4.340 0.000 0.000 0.291 250 R C 0.569 176.972 176.300 0.172 0.000 1.070 250 R CA -0.583 55.565 56.100 0.079 0.000 1.014 250 R CB 1.154 31.414 30.300 -0.067 0.000 1.007 250 R HN 0.527 nan 8.270 nan 0.000 0.466 251 L N 1.547 122.932 121.223 0.271 0.000 2.240 251 L HA -0.002 4.338 4.340 0.000 0.000 0.211 251 L C 0.388 177.448 176.870 0.316 0.000 1.106 251 L CA 1.365 56.397 54.840 0.318 0.000 0.793 251 L CB -0.324 41.988 42.059 0.422 0.000 0.927 251 L HN 0.484 nan 8.230 nan 0.000 0.446 252 N N 0.579 119.468 118.700 0.315 0.000 2.422 252 N HA 0.102 4.842 4.740 0.000 0.000 0.266 252 N C -0.661 174.940 175.510 0.152 0.000 1.007 252 N CA -0.124 53.058 53.050 0.220 0.000 0.941 252 N CB 0.824 39.401 38.487 0.150 0.000 1.115 252 N HN -0.053 nan 8.380 nan 0.000 0.492 253 N N 3.387 122.119 118.700 0.054 0.000 2.546 253 N HA 0.290 5.030 4.740 0.000 0.000 0.238 253 N C -2.159 173.251 175.510 -0.167 0.000 0.984 253 N CA -1.948 51.094 53.050 -0.013 0.000 0.935 253 N CB 1.229 39.745 38.487 0.048 0.000 1.122 253 N HN 0.290 nan 8.380 nan 0.000 0.510 254 P HA 0.128 nan 4.420 nan 0.000 0.257 254 P C -0.518 176.458 177.300 -0.540 0.000 1.325 254 P CA 0.316 63.116 63.100 -0.501 0.000 0.850 254 P CB -0.116 31.227 31.700 -0.596 0.000 1.324 255 Y N -0.061 120.234 120.300 -0.008 0.000 2.641 255 Y HA 0.156 4.706 4.550 0.000 0.000 0.248 255 Y C 1.163 177.028 175.900 -0.059 0.000 1.170 255 Y CA -0.764 57.314 58.100 -0.037 0.000 1.201 255 Y CB -0.241 38.181 38.460 -0.063 0.000 1.232 255 Y HN -0.028 nan 8.280 nan 0.000 0.537 256 D N -1.381 119.038 120.400 0.033 0.000 2.349 256 D HA 0.207 4.847 4.640 0.000 0.000 0.214 256 D C 1.741 178.046 176.300 0.007 0.000 1.063 256 D CA 0.511 54.520 54.000 0.014 0.000 0.847 256 D CB 0.087 40.891 40.800 0.007 0.000 0.933 256 D HN 0.224 nan 8.370 nan 0.000 0.513 257 G N 0.714 109.517 108.800 0.006 0.000 2.160 257 G HA2 -0.280 3.680 3.960 0.000 0.000 0.244 257 G HA3 -0.280 3.680 3.960 0.000 0.000 0.244 257 G C -0.153 174.741 174.900 -0.010 0.000 1.022 257 G CA 0.024 45.126 45.100 0.003 0.000 0.741 257 G HN 0.565 nan 8.290 nan 0.000 0.508 258 N N -0.111 118.575 118.700 -0.024 0.000 2.701 258 N HA 0.339 5.079 4.740 0.000 0.000 0.258 258 N C 1.094 176.574 175.510 -0.050 0.000 1.262 258 N CA 0.282 53.313 53.050 -0.032 0.000 0.780 258 N CB 0.861 39.331 38.487 -0.027 0.000 1.380 258 N HN 0.306 nan 8.380 nan 0.000 0.548 259 S N 0.156 115.826 115.700 -0.051 0.000 2.561 259 S HA -0.002 4.468 4.470 0.000 0.000 0.225 259 S C 1.496 176.053 174.600 -0.071 0.000 0.977 259 S CA 0.336 58.497 58.200 -0.065 0.000 0.926 259 S CB 0.110 63.277 63.200 -0.055 0.000 0.769 259 S HN 0.307 nan 8.310 nan 0.000 0.533 260 S N 3.440 119.102 115.700 -0.064 0.000 2.402 260 S HA -0.062 4.408 4.470 0.000 0.000 0.229 260 S C 1.576 176.113 174.600 -0.104 0.000 1.021 260 S CA 1.297 59.455 58.200 -0.070 0.000 0.974 260 S CB -0.412 62.757 63.200 -0.052 0.000 0.800 260 S HN 0.927 nan 8.310 nan 0.000 0.484 261 N N 1.072 119.702 118.700 -0.116 0.000 2.276 261 N HA 0.063 4.803 4.740 0.000 0.000 0.212 261 N C -1.195 174.154 175.510 -0.269 0.000 1.127 261 N CA -0.086 52.860 53.050 -0.174 0.000 0.834 261 N CB -0.200 38.218 38.487 -0.115 0.000 1.014 261 N HN 0.074 nan 8.380 nan 0.000 0.491 262 D N 0.689 120.953 120.400 -0.226 0.000 2.210 262 D HA 0.112 4.752 4.640 0.000 0.000 0.249 262 D C -0.494 175.661 176.300 -0.241 0.000 1.078 262 D CA -0.141 53.741 54.000 -0.196 0.000 0.875 262 D CB 0.566 41.301 40.800 -0.109 0.000 1.175 262 D HN 0.130 nan 8.370 nan 0.000 0.440 263 Y N 0.590 120.941 120.300 0.085 0.000 2.404 263 Y HA 0.155 4.705 4.550 0.000 0.000 0.344 263 Y C 1.812 177.785 175.900 0.122 0.000 0.995 263 Y CA -0.300 57.890 58.100 0.150 0.000 1.201 263 Y CB 0.871 39.530 38.460 0.332 0.000 1.151 263 Y HN 0.275 nan 8.280 nan 0.000 0.517 264 T N -1.750 112.919 114.554 0.192 0.000 3.044 264 T HA 0.157 4.507 4.350 0.000 0.000 0.260 264 T C 0.225 174.966 174.700 0.068 0.000 1.019 264 T CA -0.296 61.846 62.100 0.070 0.000 0.921 264 T CB 0.045 68.920 68.868 0.011 0.000 1.053 264 T HN 0.434 nan 8.240 nan 0.000 0.533 265 N N 1.044 119.837 118.700 0.156 0.000 2.342 265 N HA 0.352 5.092 4.740 0.000 0.000 0.293 265 N C 0.722 176.366 175.510 0.223 0.000 1.026 265 N CA -0.463 52.664 53.050 0.129 0.000 0.857 265 N CB 2.202 40.757 38.487 0.113 0.000 1.256 265 N HN 0.021 nan 8.380 nan 0.000 0.484 266 R N 2.650 123.225 120.500 0.124 0.000 2.139 266 R HA -0.037 4.303 4.340 0.000 0.000 0.243 266 R C 0.836 177.343 176.300 0.345 0.000 1.145 266 R CA 1.772 57.970 56.100 0.163 0.000 0.976 266 R CB -0.007 30.305 30.300 0.018 0.000 0.866 266 R HN 0.577 nan 8.270 nan 0.000 0.449 267 N N 0.317 119.142 118.700 0.207 0.000 2.463 267 N HA -0.086 4.654 4.740 0.000 0.000 0.181 267 N C 0.475 176.012 175.510 0.045 0.000 1.078 267 N CA 0.823 53.946 53.050 0.123 0.000 0.902 267 N CB -0.011 38.517 38.487 0.068 0.000 0.970 267 N HN 0.278 nan 8.380 nan 0.000 0.451 268 D N 0.423 120.865 120.400 0.070 0.000 2.117 268 D HA -0.031 4.609 4.640 0.000 0.000 0.198 268 D C 0.709 176.737 176.300 -0.454 0.000 0.982 268 D CA 0.900 54.848 54.000 -0.087 0.000 0.828 268 D CB 0.044 40.889 40.800 0.075 0.000 0.967 268 D HN 0.226 nan 8.370 nan 0.000 0.464 269 c N 0.393 118.448 118.600 -0.908 0.000 2.741 269 c HA 0.608 5.178 4.570 0.000 0.000 0.267 269 c C 1.914 175.440 174.090 -0.939 0.000 1.549 269 c CA -0.813 54.745 56.329 -1.284 0.000 1.772 269 c CB -0.539 40.683 42.510 -2.147 0.000 2.962 269 c HN 0.242 nan 8.230 nan 0.000 0.514 270 A N 0.610 123.196 122.820 -0.389 0.000 1.929 270 A HA 0.024 4.344 4.320 0.000 0.000 0.216 270 A C 1.856 179.376 177.584 -0.108 0.000 1.176 270 A CA 2.204 54.185 52.037 -0.093 0.000 0.628 270 A CB -0.068 18.950 19.000 0.029 0.000 0.816 270 A HN 0.382 nan 8.150 nan 0.000 0.444 271 V N -2.492 117.335 119.914 -0.144 0.000 2.950 271 V HA 0.280 4.400 4.120 0.000 0.000 0.231 271 V C 0.781 176.791 176.094 -0.140 0.000 1.205 271 V CA 1.027 63.264 62.300 -0.105 0.000 1.239 271 V CB 0.394 32.174 31.823 -0.071 0.000 1.050 271 V HN 0.387 nan 8.190 nan 0.000 0.498 272 S N -0.399 115.196 115.700 -0.175 0.000 2.566 272 S HA 0.620 5.090 4.470 0.000 0.000 0.273 272 S C -1.108 173.366 174.600 -0.209 0.000 1.157 272 S CA -0.285 57.820 58.200 -0.159 0.000 0.938 272 S CB 1.165 64.306 63.200 -0.097 0.000 1.087 272 S HN 0.819 nan 8.310 nan 0.000 0.474 273 c N 2.413 120.875 118.600 -0.231 0.000 3.285 273 c HA 0.866 5.436 4.570 0.000 0.000 0.325 273 c C 1.800 175.821 174.090 -0.116 0.000 1.304 273 c CA -0.072 56.133 56.329 -0.208 0.000 1.319 273 c CB 0.628 42.870 42.510 -0.447 0.000 1.640 273 c HN 1.180 nan 8.230 nan 0.000 0.477 274 A N 1.501 124.322 122.820 0.001 0.000 1.927 274 A HA 0.049 4.369 4.320 0.000 0.000 0.220 274 A C 2.179 179.794 177.584 0.052 0.000 1.185 274 A CA 3.115 55.181 52.037 0.048 0.000 0.639 274 A CB -1.471 17.590 19.000 0.101 0.000 0.820 274 A HN 2.141 nan 8.150 nan 0.000 0.451 275 G N -0.666 108.181 108.800 0.078 0.000 2.432 275 G HA2 -0.108 3.852 3.960 0.000 0.000 0.219 275 G HA3 -0.108 3.852 3.960 0.000 0.000 0.219 275 G C 1.507 176.408 174.900 0.001 0.000 1.135 275 G CA 0.938 46.096 45.100 0.096 0.000 0.767 275 G HN 0.463 nan 8.290 nan 0.000 0.550 276 L N 0.388 121.548 121.223 -0.106 0.000 2.141 276 L HA -0.024 4.316 4.340 0.000 0.000 0.209 276 L C 2.360 179.221 176.870 -0.015 0.000 1.094 276 L CA 0.945 55.739 54.840 -0.078 0.000 0.763 276 L CB -0.270 41.694 42.059 -0.158 0.000 0.908 276 L HN 0.104 nan 8.230 nan 0.000 0.437 277 D N -0.201 120.191 120.400 -0.014 0.000 2.123 277 D HA -0.170 4.470 4.640 0.000 0.000 0.200 277 D C 2.205 178.526 176.300 0.036 0.000 0.976 277 D CA 0.868 54.873 54.000 0.008 0.000 0.831 277 D CB -0.098 40.705 40.800 0.004 0.000 0.974 277 D HN 0.068 nan 8.370 nan 0.000 0.469 278 R N 1.425 121.955 120.500 0.049 0.000 2.096 278 R HA -0.119 4.221 4.340 0.000 0.000 0.235 278 R C 2.007 178.356 176.300 0.082 0.000 1.127 278 R CA 1.525 57.663 56.100 0.064 0.000 0.968 278 R CB -0.734 29.611 30.300 0.075 0.000 0.861 278 R HN 0.220 nan 8.270 nan 0.000 0.440 279 Q N 0.216 120.078 119.800 0.103 0.000 2.170 279 Q HA -0.189 4.151 4.340 0.000 0.000 0.203 279 Q C 1.858 177.995 176.000 0.229 0.000 0.976 279 Q CA 1.731 57.635 55.803 0.167 0.000 0.858 279 Q CB -0.104 28.754 28.738 0.199 0.000 0.907 279 Q HN 0.383 nan 8.270 nan 0.000 0.433 280 K N 0.044 120.529 120.400 0.142 0.000 1.991 280 K HA -0.203 4.117 4.320 0.000 0.000 0.212 280 K C 1.991 178.658 176.600 0.112 0.000 1.049 280 K CA 1.464 57.819 56.287 0.114 0.000 0.932 280 K CB -0.359 32.171 32.500 0.050 0.000 0.717 280 K HN 0.269 nan 8.250 nan 0.000 0.441 281 A N 1.349 124.215 122.820 0.078 0.000 1.948 281 A HA -0.229 4.091 4.320 0.000 0.000 0.220 281 A C 2.109 179.730 177.584 0.062 0.000 1.177 281 A CA 1.960 54.033 52.037 0.060 0.000 0.636 281 A CB -0.565 18.462 19.000 0.044 0.000 0.815 281 A HN 0.363 nan 8.150 nan 0.000 0.449 282 R N -1.444 119.098 120.500 0.070 0.000 2.057 282 R HA -0.063 4.277 4.340 0.000 0.000 0.229 282 R C 1.824 178.121 176.300 -0.004 0.000 1.136 282 R CA 1.748 57.859 56.100 0.018 0.000 0.952 282 R CB -1.052 29.246 30.300 -0.003 0.000 0.848 282 R HN 0.536 nan 8.270 nan 0.000 0.430 283 Y N 0.855 121.165 120.300 0.018 0.000 2.181 283 Y HA -0.163 4.387 4.550 0.000 0.000 0.288 283 Y C 2.337 178.236 175.900 -0.002 0.000 1.146 283 Y CA 2.150 60.255 58.100 0.008 0.000 1.164 283 Y CB -0.196 38.266 38.460 0.004 0.000 0.982 283 Y HN 0.125 nan 8.280 nan 0.000 0.515 284 K N 0.764 121.260 120.400 0.160 0.000 2.026 284 K HA -0.248 4.072 4.320 0.000 0.000 0.208 284 K C 2.052 178.687 176.600 0.058 0.000 1.048 284 K CA 1.962 58.300 56.287 0.086 0.000 0.929 284 K CB -0.196 32.339 32.500 0.059 0.000 0.713 284 K HN 0.569 nan 8.250 nan 0.000 0.439 285 E N 0.395 120.618 120.200 0.038 0.000 2.152 285 E HA -0.165 4.185 4.350 0.000 0.000 0.192 285 E C 2.021 178.625 176.600 0.007 0.000 0.983 285 E CA 0.941 57.351 56.400 0.017 0.000 0.818 285 E CB -0.263 29.440 29.700 0.005 0.000 0.758 285 E HN 0.376 nan 8.360 nan 0.000 0.467 286 I N 1.336 121.905 120.570 -0.002 0.000 2.163 286 I HA -0.222 3.948 4.170 0.000 0.000 0.240 286 I C 2.484 178.618 176.117 0.028 0.000 1.081 286 I CA 0.805 62.094 61.300 -0.019 0.000 1.353 286 I CB -0.141 37.818 38.000 -0.069 0.000 1.054 286 I HN 0.017 nan 8.210 nan 0.000 0.407 287 V N 0.564 120.513 119.914 0.059 0.000 2.343 287 V HA -0.290 3.830 4.120 0.000 0.000 0.247 287 V C 2.428 178.601 176.094 0.131 0.000 1.051 287 V CA 1.772 64.135 62.300 0.105 0.000 1.036 287 V CB -0.785 31.102 31.823 0.108 0.000 0.654 287 V HN 0.475 nan 8.190 nan 0.000 0.451 288 Q N 0.076 119.925 119.800 0.082 0.000 2.061 288 Q HA -0.215 4.125 4.340 0.000 0.000 0.204 288 Q C 2.442 178.467 176.000 0.042 0.000 0.984 288 Q CA 1.910 57.749 55.803 0.060 0.000 0.846 288 Q CB -0.489 28.270 28.738 0.034 0.000 0.902 288 Q HN 0.669 nan 8.270 nan 0.000 0.421 289 A N 0.333 123.170 122.820 0.028 0.000 1.933 289 A HA -0.233 4.087 4.320 0.000 0.000 0.218 289 A C 1.916 179.498 177.584 -0.003 0.000 1.175 289 A CA 1.432 53.465 52.037 -0.006 0.000 0.628 289 A CB -0.858 18.124 19.000 -0.031 0.000 0.814 289 A HN 0.510 nan 8.150 nan 0.000 0.444 290 Y N 0.589 120.831 120.300 -0.096 0.000 2.114 290 Y HA -0.198 4.352 4.550 0.000 0.000 0.284 290 Y C 2.017 177.846 175.900 -0.118 0.000 1.143 290 Y CA 2.008 60.031 58.100 -0.128 0.000 1.135 290 Y CB -0.394 37.990 38.460 -0.126 0.000 0.980 290 Y HN 0.217 nan 8.280 nan 0.000 0.499 291 L N -0.055 121.163 121.223 -0.008 0.000 2.042 291 L HA -0.248 4.092 4.340 0.000 0.000 0.210 291 L C 2.347 179.150 176.870 -0.111 0.000 1.076 291 L CA 1.946 56.743 54.840 -0.071 0.000 0.749 291 L CB -0.579 41.518 42.059 0.064 0.000 0.893 291 L HN 0.310 nan 8.230 nan 0.000 0.432 292 E N -0.775 119.380 120.200 -0.075 0.000 2.152 292 E HA -0.131 4.219 4.350 0.000 0.000 0.192 292 E C 2.144 178.681 176.600 -0.105 0.000 0.983 292 E CA 0.852 57.210 56.400 -0.071 0.000 0.818 292 E CB 0.224 29.898 29.700 -0.044 0.000 0.758 292 E HN 0.250 nan 8.360 nan 0.000 0.467 293 V N 0.392 120.218 119.914 -0.146 0.000 3.125 293 V HA 0.020 4.140 4.120 0.000 0.000 0.249 293 V C 0.396 176.374 176.094 -0.194 0.000 1.113 293 V CA 0.404 62.617 62.300 -0.146 0.000 1.106 293 V CB 1.134 32.874 31.823 -0.137 0.000 0.768 293 V HN -0.073 nan 8.190 nan 0.000 0.468 294 V N 2.677 122.402 119.914 -0.315 0.000 2.357 294 V HA 0.396 4.516 4.120 0.000 0.000 0.284 294 V C -2.517 173.395 176.094 -0.305 0.000 1.018 294 V CA -1.972 60.109 62.300 -0.365 0.000 0.841 294 V CB 1.407 32.822 31.823 -0.680 0.000 0.991 294 V HN 0.239 nan 8.190 nan 0.000 0.437 295 P HA 0.239 nan 4.420 nan 0.000 0.271 295 P C -2.618 174.612 177.300 -0.115 0.000 1.218 295 P CA -1.439 61.587 63.100 -0.122 0.000 0.780 295 P CB -0.072 31.581 31.700 -0.078 0.000 0.901 296 P HA -0.009 nan 4.420 nan 0.000 0.265 296 P C 1.093 178.387 177.300 -0.009 0.000 1.187 296 P CA 1.303 64.392 63.100 -0.018 0.000 0.766 296 P CB 0.039 31.747 31.700 0.013 0.000 0.820 297 G N 2.893 111.703 108.800 0.018 0.000 2.268 297 G HA2 -0.317 3.643 3.960 0.000 0.000 0.240 297 G HA3 -0.317 3.643 3.960 0.000 0.000 0.240 297 G C 0.876 175.785 174.900 0.014 0.000 1.010 297 G CA -0.041 45.074 45.100 0.025 0.000 0.618 297 G HN 0.558 nan 8.290 nan 0.000 0.516 298 R N -0.003 120.482 120.500 -0.024 0.000 2.509 298 R HA 0.273 4.613 4.340 0.000 0.000 0.300 298 R C 0.540 176.807 176.300 -0.056 0.000 0.985 298 R CA -0.371 55.711 56.100 -0.029 0.000 1.092 298 R CB 0.487 30.759 30.300 -0.047 0.000 1.237 298 R HN 0.205 nan 8.270 nan 0.000 0.546 299 R N 0.316 120.766 120.500 -0.083 0.000 2.230 299 R HA 0.161 4.501 4.340 0.000 0.000 0.337 299 R C 1.025 177.368 176.300 0.072 0.000 1.063 299 R CA -0.201 55.813 56.100 -0.144 0.000 0.935 299 R CB 1.158 31.169 30.300 -0.483 0.000 1.121 299 R HN 0.159 nan 8.270 nan 0.000 0.486 300 G N 1.617 110.524 108.800 0.178 0.000 2.534 300 G HA2 0.194 4.154 3.960 0.000 0.000 0.217 300 G HA3 0.194 4.154 3.960 0.000 0.000 0.217 300 G C 0.564 175.534 174.900 0.118 0.000 1.128 300 G CA 0.644 45.878 45.100 0.223 0.000 0.784 300 G HN 0.823 nan 8.290 nan 0.000 0.542 301 G N -1.077 107.802 108.800 0.132 0.000 2.362 301 G HA2 0.150 4.110 3.960 0.000 0.000 0.656 301 G HA3 0.150 4.110 3.960 0.000 0.000 0.656 301 G C -1.224 173.631 174.900 -0.075 0.000 1.376 301 G CA -0.885 44.315 45.100 0.166 0.000 0.971 301 G HN 0.371 nan 8.290 nan 0.000 0.636 302 I N 1.001 121.583 120.570 0.020 0.000 2.418 302 I HA 0.511 4.681 4.170 0.000 0.000 0.287 302 I C -0.043 176.074 176.117 -0.001 0.000 1.008 302 I CA -0.648 60.581 61.300 -0.119 0.000 1.104 302 I CB 2.361 40.302 38.000 -0.097 0.000 1.264 302 I HN 0.448 nan 8.210 nan 0.000 0.438 303 T N 5.416 119.947 114.554 -0.038 0.000 2.824 303 T HA 0.522 4.872 4.350 0.000 0.000 0.282 303 T C -0.277 174.469 174.700 0.076 0.000 0.993 303 T CA -0.414 61.691 62.100 0.009 0.000 0.967 303 T CB 2.233 71.081 68.868 -0.033 0.000 0.960 303 T HN 0.141 nan 8.240 nan 0.000 0.441 304 V N 2.787 122.758 119.914 0.094 0.000 2.630 304 V HA 0.388 4.508 4.120 0.000 0.000 0.305 304 V C -0.323 175.893 176.094 0.204 0.000 1.046 304 V CA -0.988 61.429 62.300 0.195 0.000 0.934 304 V CB 2.090 34.054 31.823 0.235 0.000 1.003 304 V HN 0.894 nan 8.190 nan 0.000 0.451 305 W N 4.771 126.118 121.300 0.078 0.000 1.603 305 W HA 0.527 5.187 4.660 -0.000 0.000 0.392 305 W C 0.444 177.033 176.519 0.116 0.000 0.661 305 W CA 0.593 57.997 57.345 0.099 0.000 2.021 305 W CB 0.296 29.901 29.460 0.240 0.000 1.759 305 W HN 0.891 nan 8.180 nan 0.000 0.334 306 G N 1.076 109.753 108.800 -0.206 0.000 2.392 306 G HA2 -0.174 3.786 3.960 0.000 0.000 0.677 306 G HA3 -0.174 3.786 3.960 0.000 0.000 0.677 306 G C -0.083 174.762 174.900 -0.093 0.000 1.334 306 G CA -0.661 44.316 45.100 -0.205 0.000 0.961 306 G HN 0.186 nan 8.290 nan 0.000 0.616 307 I N 0.837 121.348 120.570 -0.098 0.000 2.364 307 I HA 0.423 4.593 4.170 0.000 0.000 0.241 307 I C 1.635 177.826 176.117 0.124 0.000 1.082 307 I CA 1.305 62.599 61.300 -0.010 0.000 1.401 307 I CB -0.202 37.725 38.000 -0.121 0.000 1.126 307 I HN 0.862 nan 8.210 nan 0.000 0.429 308 A N 0.131 122.978 122.820 0.045 0.000 2.374 308 A HA 0.318 4.638 4.320 0.000 0.000 0.317 308 A C 0.059 177.655 177.584 0.021 0.000 1.094 308 A CA -0.536 51.552 52.037 0.086 0.000 0.765 308 A CB 1.038 20.050 19.000 0.019 0.000 1.268 308 A HN 0.147 nan 8.150 nan 0.000 0.438 309 D N 1.502 121.942 120.400 0.066 0.000 2.157 309 D HA -0.150 4.490 4.640 0.000 0.000 0.191 309 D C -0.743 175.366 176.300 -0.318 0.000 1.004 309 D CA 2.429 56.462 54.000 0.054 0.000 0.854 309 D CB -0.922 40.023 40.800 0.243 0.000 0.936 309 D HN 0.467 nan 8.370 nan 0.000 0.446 310 P HA -0.048 nan 4.420 nan 0.000 0.230 310 P C 0.276 177.234 177.300 -0.571 0.000 1.158 310 P CA 1.014 63.376 63.100 -1.231 0.000 0.769 310 P CB 0.127 31.388 31.700 -0.731 0.000 0.807 311 D N -0.850 119.375 120.400 -0.291 0.000 2.348 311 D HA -0.010 4.630 4.640 0.000 0.000 0.211 311 D C 0.875 177.140 176.300 -0.058 0.000 0.998 311 D CA 0.482 54.388 54.000 -0.156 0.000 0.873 311 D CB -0.359 40.361 40.800 -0.132 0.000 0.925 311 D HN 0.083 nan 8.370 nan 0.000 0.524 312 S N 1.483 117.174 115.700 -0.016 0.000 2.533 312 S HA -0.018 4.452 4.470 0.000 0.000 0.282 312 S C 1.450 176.162 174.600 0.186 0.000 1.304 312 S CA -0.788 57.489 58.200 0.128 0.000 1.063 312 S CB 0.357 63.631 63.200 0.123 0.000 0.881 312 S HN 0.376 nan 8.310 nan 0.000 0.493 313 W N 5.432 126.795 121.300 0.105 0.000 2.389 313 W HA -0.065 4.595 4.660 0.000 0.000 0.267 313 W C 0.134 176.714 176.519 0.103 0.000 1.219 313 W CA 0.615 58.022 57.345 0.103 0.000 1.189 313 W CB -0.767 28.767 29.460 0.123 0.000 1.129 313 W HN 0.588 nan 8.180 nan 0.000 0.581 314 L N 0.133 121.066 121.223 -0.485 0.000 3.066 314 L HA 0.080 4.420 4.340 0.000 0.000 0.265 314 L C 1.700 178.502 176.870 -0.113 0.000 1.232 314 L CA -0.483 54.033 54.840 -0.540 0.000 1.031 314 L CB -0.591 40.939 42.059 -0.881 0.000 1.379 314 L HN -0.219 nan 8.230 nan 0.000 0.563 315 Y N 0.918 121.120 120.300 -0.164 0.000 2.352 315 Y HA -0.012 4.538 4.550 0.000 0.000 0.292 315 Y C 0.734 176.509 175.900 -0.209 0.000 1.136 315 Y CA 0.668 58.664 58.100 -0.174 0.000 1.227 315 Y CB 0.275 38.667 38.460 -0.114 0.000 0.991 315 Y HN -0.026 nan 8.280 nan 0.000 0.545 316 T N 2.353 116.843 114.554 -0.106 0.000 2.893 316 T HA 0.402 4.752 4.350 0.000 0.000 0.293 316 T C -1.646 173.025 174.700 -0.048 0.000 1.027 316 T CA -0.625 61.366 62.100 -0.183 0.000 0.988 316 T CB 1.642 70.405 68.868 -0.175 0.000 1.043 316 T HN 0.321 nan 8.240 nan 0.000 0.461 317 H N 1.331 120.281 119.070 -0.201 0.000 3.085 317 H HA 0.320 4.876 4.556 0.000 0.000 0.356 317 H C -0.874 174.377 175.328 -0.128 0.000 1.178 317 H CA -0.842 55.111 56.048 -0.158 0.000 1.214 317 H CB 0.872 30.505 29.762 -0.216 0.000 1.881 317 H HN 0.439 nan 8.280 nan 0.000 0.538 318 Q N 1.507 121.263 119.800 -0.073 0.000 2.475 318 Q HA -0.263 4.077 4.340 0.000 0.000 0.280 318 Q C -0.121 175.765 176.000 -0.191 0.000 1.234 318 Q CA 1.175 56.907 55.803 -0.119 0.000 0.873 318 Q CB -2.195 26.447 28.738 -0.160 0.000 1.256 318 Q HN 1.003 nan 8.270 nan 0.000 0.475 319 N N -1.146 117.458 118.700 -0.160 0.000 2.696 319 N HA -0.240 4.500 4.740 0.000 0.000 0.249 319 N C -0.650 174.723 175.510 -0.230 0.000 1.090 319 N CA 1.083 54.037 53.050 -0.160 0.000 0.716 319 N CB -0.520 37.903 38.487 -0.106 0.000 1.020 319 N HN 0.404 nan 8.380 nan 0.000 0.548 320 L N -0.039 120.964 121.223 -0.365 0.000 2.346 320 L HA 0.604 4.944 4.340 0.000 0.000 0.274 320 L C -1.955 174.630 176.870 -0.475 0.000 1.007 320 L CA -2.120 52.484 54.840 -0.393 0.000 0.818 320 L CB 1.536 43.323 42.059 -0.453 0.000 1.284 320 L HN -0.170 nan 8.230 nan 0.000 0.424 321 P HA 0.090 nan 4.420 nan 0.000 0.269 321 P C -1.273 175.493 177.300 -0.890 0.000 1.215 321 P CA 0.035 62.673 63.100 -0.770 0.000 0.780 321 P CB 1.438 32.653 31.700 -0.808 0.000 0.898 322 D N 0.712 120.532 120.400 -0.966 0.000 2.664 322 D HA 0.369 5.009 4.640 0.000 0.000 0.292 322 D C -1.083 174.832 176.300 -0.642 0.000 1.214 322 D CA -0.181 53.414 54.000 -0.675 0.000 0.932 322 D CB 1.484 42.296 40.800 0.020 0.000 1.420 322 D HN 0.396 nan 8.370 nan 0.000 0.471 323 W N 1.502 122.865 121.300 0.104 0.000 1.713 323 W HA 0.244 4.904 4.660 -0.000 0.000 0.303 323 W C -2.347 174.261 176.519 0.148 0.000 0.915 323 W CA -1.006 56.423 57.345 0.140 0.000 1.751 323 W CB 1.374 30.872 29.460 0.064 0.000 1.955 323 W HN 0.171 nan 8.180 nan 0.000 0.405 324 P HA 0.093 nan 4.420 nan 0.000 0.261 324 P C 0.585 178.092 177.300 0.345 0.000 1.268 324 P CA 0.872 64.134 63.100 0.270 0.000 0.833 324 P CB 1.019 32.812 31.700 0.155 0.000 1.231 325 L N -1.816 119.588 121.223 0.302 0.000 2.267 325 L HA 0.387 4.727 4.340 0.000 0.000 0.264 325 L C 1.513 178.457 176.870 0.123 0.000 1.021 325 L CA -1.026 53.972 54.840 0.263 0.000 0.861 325 L CB 0.802 43.003 42.059 0.235 0.000 1.443 325 L HN -0.316 nan 8.230 nan 0.000 0.475 326 L N -0.483 120.776 121.223 0.060 0.000 2.375 326 L HA 0.164 4.504 4.340 0.000 0.000 0.215 326 L C -0.420 176.249 176.870 -0.335 0.000 1.108 326 L CA 0.608 55.338 54.840 -0.183 0.000 0.830 326 L CB 0.131 42.100 42.059 -0.150 0.000 0.959 326 L HN 0.248 nan 8.230 nan 0.000 0.457 327 F N 0.436 120.433 119.950 0.078 0.000 2.495 327 F HA 0.279 4.806 4.527 0.000 0.000 0.327 327 F C 0.583 176.417 175.800 0.057 0.000 1.103 327 F CA -1.470 56.558 58.000 0.046 0.000 0.949 327 F CB 0.902 39.922 39.000 0.035 0.000 1.142 327 F HN -0.045 nan 8.300 nan 0.000 0.457 328 N N 0.408 119.233 118.700 0.208 0.000 2.366 328 N HA 0.083 4.823 4.740 0.000 0.000 0.277 328 N C 0.316 175.915 175.510 0.149 0.000 1.275 328 N CA -0.339 52.815 53.050 0.173 0.000 0.964 328 N CB 0.195 38.754 38.487 0.120 0.000 1.167 328 N HN 0.507 nan 8.380 nan 0.000 0.568 329 D N -1.122 119.365 120.400 0.146 0.000 2.182 329 D HA -0.143 4.497 4.640 0.000 0.000 0.201 329 D C 0.473 176.809 176.300 0.059 0.000 0.986 329 D CA 1.495 55.552 54.000 0.094 0.000 0.847 329 D CB -0.474 40.414 40.800 0.148 0.000 0.942 329 D HN 0.659 nan 8.370 nan 0.000 0.467 330 N N 0.208 118.948 118.700 0.067 0.000 2.383 330 N HA 0.066 4.806 4.740 0.000 0.000 0.192 330 N C -0.376 175.160 175.510 0.044 0.000 1.141 330 N CA -0.096 52.980 53.050 0.044 0.000 0.851 330 N CB 0.449 38.959 38.487 0.039 0.000 0.976 330 N HN -0.098 nan 8.380 nan 0.000 0.465 331 L N 0.425 121.689 121.223 0.068 0.000 3.717 331 L HA -0.222 4.118 4.340 0.000 0.000 0.411 331 L C -0.664 176.316 176.870 0.185 0.000 1.233 331 L CA 1.180 56.067 54.840 0.079 0.000 0.917 331 L CB -2.430 39.602 42.059 -0.045 0.000 1.902 331 L HN 0.384 nan 8.230 nan 0.000 0.894 332 Q N 0.824 120.744 119.800 0.201 0.000 2.222 332 Q HA 0.595 4.935 4.340 0.000 0.000 0.252 332 Q C -1.970 174.109 176.000 0.132 0.000 0.926 332 Q CA -1.873 54.022 55.803 0.152 0.000 0.899 332 Q CB 0.993 29.757 28.738 0.044 0.000 1.250 332 Q HN 0.155 nan 8.270 nan 0.000 0.441 333 P HA 0.191 nan 4.420 nan 0.000 0.279 333 P C -0.572 176.540 177.300 -0.315 0.000 1.239 333 P CA -0.212 62.534 63.100 -0.589 0.000 0.789 333 P CB 1.106 32.302 31.700 -0.840 0.000 0.933 334 K N 3.372 123.597 120.400 -0.291 0.000 2.148 334 K HA 0.286 4.606 4.320 0.000 0.000 0.239 334 K C -1.451 175.088 176.600 -0.101 0.000 1.018 334 K CA -1.717 54.485 56.287 -0.140 0.000 0.923 334 K CB -0.269 32.174 32.500 -0.094 0.000 1.117 334 K HN 0.184 nan 8.250 nan 0.000 0.477 335 P HA -0.243 nan 4.420 nan 0.000 0.218 335 P C 0.731 178.011 177.300 -0.034 0.000 1.146 335 P CA 1.335 64.415 63.100 -0.034 0.000 0.813 335 P CB -0.008 31.677 31.700 -0.026 0.000 0.778 336 A N -1.006 121.777 122.820 -0.063 0.000 1.917 336 A HA -0.275 4.045 4.320 0.000 0.000 0.219 336 A C 2.294 179.713 177.584 -0.276 0.000 1.182 336 A CA 1.833 53.770 52.037 -0.168 0.000 0.633 336 A CB -1.954 16.856 19.000 -0.317 0.000 0.819 336 A HN 0.197 nan 8.150 nan 0.000 0.448 337 Y N 0.399 120.479 120.300 -0.367 0.000 2.128 337 Y HA -0.282 4.268 4.550 0.000 0.000 0.284 337 Y C 2.627 178.394 175.900 -0.221 0.000 1.154 337 Y CA 2.412 60.294 58.100 -0.363 0.000 1.149 337 Y CB -0.196 37.979 38.460 -0.475 0.000 0.976 337 Y HN 0.324 nan 8.280 nan 0.000 0.505 338 Q N -0.026 119.796 119.800 0.037 0.000 2.084 338 Q HA -0.125 4.215 4.340 0.000 0.000 0.202 338 Q C 2.603 178.566 176.000 -0.062 0.000 0.978 338 Q CA 1.331 57.141 55.803 0.011 0.000 0.844 338 Q CB -1.342 27.415 28.738 0.032 0.000 0.898 338 Q HN 0.662 nan 8.270 nan 0.000 0.426 339 G N 0.705 109.476 108.800 -0.048 0.000 2.574 339 G HA2 -0.277 3.683 3.960 0.000 0.000 0.220 339 G HA3 -0.277 3.683 3.960 0.000 0.000 0.220 339 G C 1.613 176.489 174.900 -0.040 0.000 1.173 339 G CA 1.504 46.597 45.100 -0.012 0.000 0.772 339 G HN 0.318 nan 8.290 nan 0.000 0.585 340 V N 0.290 120.128 119.914 -0.128 0.000 2.453 340 V HA -0.137 3.983 4.120 0.000 0.000 0.247 340 V C 3.020 179.013 176.094 -0.169 0.000 1.048 340 V CA 1.356 63.574 62.300 -0.136 0.000 1.049 340 V CB -0.243 31.428 31.823 -0.252 0.000 0.672 340 V HN 0.267 nan 8.190 nan 0.000 0.457 341 V N 0.099 119.861 119.914 -0.254 0.000 2.255 341 V HA -0.306 3.814 4.120 0.000 0.000 0.247 341 V C 2.439 178.483 176.094 -0.084 0.000 1.051 341 V CA 2.277 64.466 62.300 -0.186 0.000 1.018 341 V CB -0.724 31.002 31.823 -0.162 0.000 0.641 341 V HN 0.599 nan 8.190 nan 0.000 0.445 342 E N 0.256 120.424 120.200 -0.053 0.000 2.049 342 E HA -0.269 4.081 4.350 0.000 0.000 0.198 342 E C 2.347 178.943 176.600 -0.007 0.000 1.007 342 E CA 1.490 57.877 56.400 -0.020 0.000 0.809 342 E CB -0.413 29.282 29.700 -0.009 0.000 0.749 342 E HN 0.598 nan 8.360 nan 0.000 0.450 343 A N 1.296 124.116 122.820 -0.000 0.000 1.865 343 A HA -0.198 4.122 4.320 0.000 0.000 0.217 343 A C 2.230 179.836 177.584 0.036 0.000 1.191 343 A CA 1.336 53.389 52.037 0.027 0.000 0.623 343 A CB -0.795 18.232 19.000 0.046 0.000 0.826 343 A HN 0.160 nan 8.150 nan 0.000 0.444 344 L N -0.242 120.993 121.223 0.019 0.000 2.191 344 L HA -0.077 4.263 4.340 0.000 0.000 0.212 344 L C 1.246 178.122 176.870 0.009 0.000 1.103 344 L CA 0.390 55.245 54.840 0.025 0.000 0.769 344 L CB -0.330 41.711 42.059 -0.030 0.000 0.908 344 L HN 0.258 nan 8.230 nan 0.000 0.438 345 S N 0.000 115.696 115.700 -0.006 0.000 2.498 345 S HA 0.000 4.470 4.470 0.000 0.000 0.327 345 S CA 0.000 58.195 58.200 -0.009 0.000 1.107 345 S CB 0.000 63.190 63.200 -0.017 0.000 0.593 345 S HN 0.000 nan 8.310 nan 0.000 0.517