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 2vo1_1_A DATA FIRST_RESID -1 DATA SEQUENCE QSMKYILVTG GVISGIGKGI IASSVGTILK SCGLHVTSIK IDPYINIXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXDNNL TTGKIYQYVI DATA SEQUENCE NKERKGDYLG KTVQVVPHIT DAIQEWVMRQ ALIPVDEDGL EPQVCVIELG DATA SEQUENCE GTVGDIESMP FIEAFRQFQF KVKRENFCNI HVSLVPQPSS XGEQKTKPTQ DATA SEQUENCE NSVRELRGLG LSPDLVVCRC SNPLDTSVKE KISMFCHVEP EQVICVHDVS DATA SEQUENCE SIYRVPLLLE EQGVVDYFLR RLDLP 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 Q HA 0.000 nan 4.340 nan 0.000 0.214 -1 Q C 0.000 175.992 176.000 -0.013 0.000 1.003 -1 Q CA 0.000 55.798 55.803 -0.008 0.000 1.022 -1 Q CB 0.000 28.731 28.738 -0.012 0.000 1.108 0 S N 1.331 117.026 115.700 -0.008 0.000 2.616 0 S HA 0.622 5.099 4.470 0.012 0.000 0.277 0 S C 0.112 174.697 174.600 -0.025 0.000 1.234 0 S CA -0.779 57.419 58.200 -0.003 0.000 1.028 0 S CB 1.096 64.308 63.200 0.020 0.000 0.988 0 S HN 0.701 nan 8.310 nan 0.000 0.522 1 M N 2.466 122.041 119.600 -0.041 0.000 2.240 1 M HA 0.141 4.629 4.480 0.012 0.000 0.346 1 M C -0.606 175.574 176.300 -0.200 0.000 1.236 1 M CA 0.905 56.099 55.300 -0.176 0.000 0.986 1 M CB -0.052 32.406 32.600 -0.237 0.000 1.786 1 M HN 0.541 nan 8.290 nan 0.000 0.457 2 K N 5.279 125.489 120.400 -0.318 0.000 2.221 2 K HA 0.374 4.702 4.320 0.012 0.000 0.258 2 K C -1.726 174.665 176.600 -0.349 0.000 0.944 2 K CA -0.287 55.880 56.287 -0.199 0.000 0.823 2 K CB 1.327 33.742 32.500 -0.142 0.000 1.113 2 K HN 0.656 nan 8.250 nan 0.000 0.431 3 Y N 1.672 121.953 120.300 -0.030 0.000 2.350 3 Y HA 0.470 5.026 4.550 0.011 0.000 0.338 3 Y C 0.206 175.922 175.900 -0.307 0.000 0.961 3 Y CA -0.753 57.316 58.100 -0.052 0.000 1.100 3 Y CB 1.551 40.165 38.460 0.256 0.000 1.179 3 Y HN 0.337 nan 8.280 nan 0.000 0.454 4 I N 5.145 125.600 120.570 -0.191 0.000 2.382 4 I HA 0.240 4.417 4.170 0.012 0.000 0.285 4 I C -1.194 174.766 176.117 -0.262 0.000 1.007 4 I CA -0.755 60.358 61.300 -0.312 0.000 1.142 4 I CB 1.347 39.104 38.000 -0.405 0.000 1.289 4 I HN 0.364 nan 8.210 nan 0.000 0.453 5 L N 8.831 129.842 121.223 -0.354 0.000 2.265 5 L HA 0.500 4.847 4.340 0.012 0.000 0.289 5 L C -0.609 176.157 176.870 -0.173 0.000 1.033 5 L CA -0.233 54.428 54.840 -0.299 0.000 0.814 5 L CB 1.322 43.160 42.059 -0.369 0.000 1.203 5 L HN 0.277 nan 8.230 nan 0.000 0.423 6 V N 4.539 124.374 119.914 -0.132 0.000 2.383 6 V HA 0.566 4.693 4.120 0.012 0.000 0.275 6 V C 0.432 176.497 176.094 -0.049 0.000 1.036 6 V CA -0.118 62.143 62.300 -0.064 0.000 0.889 6 V CB 1.151 32.943 31.823 -0.053 0.000 0.985 6 V HN 0.925 nan 8.190 nan 0.000 0.459 7 T N 1.783 116.351 114.554 0.022 0.000 2.908 7 T HA 0.817 5.174 4.350 0.012 0.000 0.290 7 T C -0.027 174.698 174.700 0.041 0.000 1.034 7 T CA -0.527 61.622 62.100 0.083 0.000 1.010 7 T CB 2.024 71.018 68.868 0.210 0.000 1.068 7 T HN 0.839 nan 8.240 nan 0.000 0.481 8 G N -0.596 108.213 108.800 0.016 0.000 2.420 8 G HA2 0.716 4.683 3.960 0.012 0.000 0.331 8 G HA3 0.716 4.683 3.960 0.012 0.000 0.331 8 G C -0.341 174.536 174.900 -0.038 0.000 1.168 8 G CA -0.787 44.249 45.100 -0.107 0.000 0.936 8 G HN 1.062 nan 8.290 nan 0.000 0.479 9 G N -1.597 107.085 108.800 -0.196 0.000 2.605 9 G HA2 0.644 4.611 3.960 0.012 0.000 0.296 9 G HA3 0.644 4.611 3.960 0.012 0.000 0.296 9 G C 0.382 175.272 174.900 -0.017 0.000 1.304 9 G CA 0.171 45.275 45.100 0.008 0.000 0.941 9 G HN 1.524 nan 8.290 nan 0.000 0.475 10 V N -1.138 118.794 119.914 0.030 0.000 0.542 10 V HA -0.284 3.843 4.120 0.012 0.000 0.092 10 V C 0.717 176.814 176.094 0.004 0.000 2.107 10 V CA 2.157 64.464 62.300 0.012 0.000 3.514 10 V CB -2.282 29.538 31.823 -0.005 0.000 0.805 10 V HN 1.533 nan 8.190 nan 0.000 0.840 11 I N -1.052 119.513 120.570 -0.008 0.000 2.865 11 I HA 0.833 5.010 4.170 0.012 0.000 0.302 11 I C 0.177 176.290 176.117 -0.007 0.000 1.140 11 I CA -0.084 61.213 61.300 -0.006 0.000 1.021 11 I CB 2.259 40.252 38.000 -0.011 0.000 1.233 11 I HN 0.448 nan 8.210 nan 0.000 0.427 12 S N 2.628 118.329 115.700 0.003 0.000 2.593 12 S HA 0.551 5.028 4.470 0.012 0.000 0.269 12 S C 1.050 175.646 174.600 -0.006 0.000 1.334 12 S CA 0.255 58.459 58.200 0.006 0.000 1.015 12 S CB 0.862 64.074 63.200 0.019 0.000 0.912 12 S HN 2.223 nan 8.310 nan 0.000 0.541 13 G N 0.378 109.174 108.800 -0.007 0.000 2.160 13 G HA2 -0.231 3.736 3.960 0.012 0.000 0.251 13 G HA3 -0.231 3.736 3.960 0.012 0.000 0.251 13 G C 0.250 175.134 174.900 -0.025 0.000 1.008 13 G CA 0.255 45.346 45.100 -0.014 0.000 0.724 13 G HN 0.918 nan 8.290 nan 0.000 0.514 14 I N 0.267 120.818 120.570 -0.033 0.000 3.251 14 I HA 0.424 4.601 4.170 0.012 0.000 0.277 14 I C 1.914 178.000 176.117 -0.052 0.000 1.268 14 I CA 1.447 62.719 61.300 -0.046 0.000 1.449 14 I CB -0.005 37.958 38.000 -0.063 0.000 1.083 14 I HN 1.337 nan 8.210 nan 0.000 0.464 15 G N 0.395 109.167 108.800 -0.047 0.000 2.155 15 G HA2 -0.216 3.751 3.960 0.012 0.000 0.135 15 G HA3 -0.216 3.751 3.960 0.012 0.000 0.135 15 G C 1.094 175.965 174.900 -0.050 0.000 1.023 15 G CA 0.255 45.325 45.100 -0.049 0.000 0.688 15 G HN 0.324 nan 8.290 nan 0.000 0.499 16 K N 0.047 120.418 120.400 -0.050 0.000 2.001 16 K HA -0.096 4.231 4.320 0.012 0.000 0.214 16 K C 2.806 179.382 176.600 -0.040 0.000 1.050 16 K CA 1.796 58.053 56.287 -0.049 0.000 0.934 16 K CB -0.429 32.041 32.500 -0.049 0.000 0.718 16 K HN 0.434 nan 8.250 nan 0.000 0.443 17 G N 1.435 110.213 108.800 -0.035 0.000 2.476 17 G HA2 -0.269 3.698 3.960 0.012 0.000 0.218 17 G HA3 -0.269 3.698 3.960 0.012 0.000 0.218 17 G C 1.472 176.356 174.900 -0.026 0.000 1.164 17 G CA 0.985 46.067 45.100 -0.029 0.000 0.768 17 G HN 0.096 nan 8.290 nan 0.000 0.560 18 I N 1.012 121.562 120.570 -0.034 0.000 2.179 18 I HA -0.115 4.062 4.170 0.012 0.000 0.242 18 I C 2.631 178.733 176.117 -0.024 0.000 1.088 18 I CA 0.514 61.792 61.300 -0.036 0.000 1.357 18 I CB -0.246 37.720 38.000 -0.056 0.000 1.051 18 I HN 0.069 nan 8.210 nan 0.000 0.409 19 I N 0.530 121.084 120.570 -0.027 0.000 2.127 19 I HA -0.322 3.856 4.170 0.012 0.000 0.241 19 I C 2.706 178.823 176.117 -0.001 0.000 1.075 19 I CA 1.804 63.096 61.300 -0.014 0.000 1.334 19 I CB -1.820 36.167 38.000 -0.020 0.000 1.040 19 I HN 0.213 nan 8.210 nan 0.000 0.405 20 A N 0.560 123.372 122.820 -0.014 0.000 1.892 20 A HA -0.237 4.090 4.320 0.012 0.000 0.218 20 A C 2.576 180.154 177.584 -0.011 0.000 1.188 20 A CA 2.573 54.598 52.037 -0.019 0.000 0.631 20 A CB -0.916 18.066 19.000 -0.031 0.000 0.822 20 A HN 0.486 nan 8.150 nan 0.000 0.447 21 S N 0.010 115.708 115.700 -0.003 0.000 2.368 21 S HA -0.105 4.372 4.470 0.012 0.000 0.224 21 S C 2.238 176.851 174.600 0.021 0.000 1.029 21 S CA 1.385 59.590 58.200 0.009 0.000 0.988 21 S CB -0.324 62.885 63.200 0.016 0.000 0.838 21 S HN 0.632 nan 8.310 nan 0.000 0.462 22 S N 1.282 116.996 115.700 0.024 0.000 2.368 22 S HA -0.039 4.438 4.470 0.012 0.000 0.224 22 S C 2.056 176.688 174.600 0.052 0.000 1.029 22 S CA 0.921 59.144 58.200 0.038 0.000 0.988 22 S CB -0.408 62.809 63.200 0.028 0.000 0.838 22 S HN 0.323 nan 8.310 nan 0.000 0.462 23 V N 1.852 121.800 119.914 0.058 0.000 2.332 23 V HA -0.169 3.958 4.120 0.012 0.000 0.248 23 V C 2.631 178.737 176.094 0.019 0.000 1.055 23 V CA 1.971 64.321 62.300 0.084 0.000 1.038 23 V CB -1.543 30.323 31.823 0.072 0.000 0.651 23 V HN 0.585 nan 8.190 nan 0.000 0.450 24 G N -0.578 108.217 108.800 -0.007 0.000 2.446 24 G HA2 -0.258 3.709 3.960 0.012 0.000 0.217 24 G HA3 -0.258 3.709 3.960 0.012 0.000 0.217 24 G C 1.703 176.607 174.900 0.007 0.000 1.168 24 G CA 1.616 46.706 45.100 -0.018 0.000 0.771 24 G HN 0.466 nan 8.290 nan 0.000 0.551 25 T N 1.724 116.292 114.554 0.024 0.000 2.674 25 T HA -0.142 4.215 4.350 0.012 0.000 0.265 25 T C 2.455 177.176 174.700 0.035 0.000 1.039 25 T CA 1.463 63.582 62.100 0.031 0.000 1.150 25 T CB -0.306 68.587 68.868 0.042 0.000 0.864 25 T HN 0.506 nan 8.240 nan 0.000 0.427 26 I N -0.208 120.392 120.570 0.050 0.000 2.286 26 I HA -0.087 4.090 4.170 0.012 0.000 0.248 26 I C 2.159 178.315 176.117 0.064 0.000 1.115 26 I CA 1.513 62.849 61.300 0.061 0.000 1.392 26 I CB -0.688 37.361 38.000 0.081 0.000 1.065 26 I HN 0.170 nan 8.210 nan 0.000 0.418 27 L N 1.011 122.270 121.223 0.060 0.000 2.005 27 L HA -0.141 4.207 4.340 0.012 0.000 0.207 27 L C 2.830 179.714 176.870 0.023 0.000 1.072 27 L CA 1.521 56.385 54.840 0.039 0.000 0.744 27 L CB -0.759 41.292 42.059 -0.014 0.000 0.895 27 L HN 0.182 nan 8.230 nan 0.000 0.433 28 K N -0.409 120.001 120.400 0.017 0.000 2.127 28 K HA -0.232 4.095 4.320 0.012 0.000 0.208 28 K C 2.390 179.001 176.600 0.019 0.000 1.047 28 K CA 1.722 58.021 56.287 0.020 0.000 0.927 28 K CB -0.223 32.289 32.500 0.020 0.000 0.716 28 K HN 0.145 nan 8.250 nan 0.000 0.450 29 S N 0.294 116.007 115.700 0.022 0.000 2.399 29 S HA -0.141 4.336 4.470 0.012 0.000 0.231 29 S C 1.791 176.402 174.600 0.019 0.000 1.022 29 S CA 1.119 59.330 58.200 0.019 0.000 0.983 29 S CB -0.185 63.029 63.200 0.023 0.000 0.803 29 S HN 0.428 nan 8.310 nan 0.000 0.480 30 C N 1.152 120.467 119.300 0.024 0.000 2.511 30 C HA 0.345 4.813 4.460 0.012 0.000 0.277 30 C C 1.942 176.941 174.990 0.016 0.000 1.451 30 C CA -0.041 58.991 59.018 0.022 0.000 1.735 30 C CB -1.666 26.092 27.740 0.030 0.000 1.704 30 C HN 0.780 nan 8.230 nan 0.000 0.571 31 G N 0.476 109.285 108.800 0.015 0.000 2.143 31 G HA2 -0.249 3.718 3.960 0.012 0.000 0.248 31 G HA3 -0.249 3.718 3.960 0.012 0.000 0.248 31 G C 0.003 174.915 174.900 0.020 0.000 0.991 31 G CA -0.161 44.946 45.100 0.012 0.000 0.689 31 G HN 0.552 nan 8.290 nan 0.000 0.522 32 L N 0.116 121.354 121.223 0.024 0.000 2.452 32 L HA 0.317 4.665 4.340 0.012 0.000 0.267 32 L C 1.176 178.091 176.870 0.076 0.000 1.188 32 L CA -0.677 54.182 54.840 0.031 0.000 0.821 32 L CB 0.770 42.831 42.059 0.002 0.000 1.102 32 L HN 0.364 nan 8.230 nan 0.000 0.470 33 H N 2.725 121.770 119.070 -0.042 0.000 2.872 33 H HA 0.375 4.938 4.556 0.012 0.000 0.273 33 H C -1.179 174.112 175.328 -0.062 0.000 1.205 33 H CA -0.881 55.140 56.048 -0.046 0.000 1.342 33 H CB 0.583 30.319 29.762 -0.043 0.000 1.469 33 H HN 0.276 nan 8.280 nan 0.000 0.487 34 V N 4.591 124.525 119.914 0.035 0.000 2.532 34 V HA 0.217 4.344 4.120 0.012 0.000 0.295 34 V C 0.635 176.668 176.094 -0.102 0.000 1.041 34 V CA -0.627 61.617 62.300 -0.092 0.000 0.926 34 V CB 1.597 33.389 31.823 -0.053 0.000 0.992 34 V HN 0.726 nan 8.190 nan 0.000 0.457 35 T N 2.218 116.671 114.554 -0.168 0.000 2.930 35 T HA 0.613 4.971 4.350 0.012 0.000 0.290 35 T C -0.541 174.106 174.700 -0.087 0.000 1.052 35 T CA -0.279 61.748 62.100 -0.121 0.000 1.017 35 T CB 1.714 70.480 68.868 -0.170 0.000 1.137 35 T HN 0.711 nan 8.240 nan 0.000 0.511 36 S N 1.792 117.463 115.700 -0.050 0.000 2.557 36 S HA 0.682 5.159 4.470 0.012 0.000 0.291 36 S C -1.067 173.535 174.600 0.004 0.000 1.116 36 S CA -0.592 57.593 58.200 -0.025 0.000 0.992 36 S CB 0.725 63.919 63.200 -0.011 0.000 1.028 36 S HN 0.568 nan 8.310 nan 0.000 0.484 37 I N 2.897 123.487 120.570 0.034 0.000 2.466 37 I HA 0.441 4.618 4.170 0.012 0.000 0.289 37 I C -0.559 175.626 176.117 0.114 0.000 1.026 37 I CA -0.890 60.479 61.300 0.115 0.000 1.078 37 I CB 2.021 40.122 38.000 0.168 0.000 1.249 37 I HN 0.333 nan 8.210 nan 0.000 0.429 38 K N 7.366 127.844 120.400 0.131 0.000 2.182 38 K HA 0.656 4.983 4.320 0.012 0.000 0.262 38 K C -1.323 175.274 176.600 -0.005 0.000 0.957 38 K CA -0.190 56.119 56.287 0.037 0.000 0.842 38 K CB 1.079 33.586 32.500 0.011 0.000 1.099 38 K HN 0.523 nan 8.250 nan 0.000 0.438 39 I N 3.706 124.197 120.570 -0.130 0.000 2.411 39 I HA 0.253 4.430 4.170 0.012 0.000 0.284 39 I C -0.821 175.027 176.117 -0.449 0.000 1.012 39 I CA -0.825 60.287 61.300 -0.313 0.000 1.119 39 I CB 1.826 39.599 38.000 -0.378 0.000 1.261 39 I HN 0.480 nan 8.210 nan 0.000 0.448 40 D N 8.882 128.997 120.400 -0.476 0.000 2.329 40 D HA 0.234 4.882 4.640 0.012 0.000 0.232 40 D C -2.005 173.821 176.300 -0.790 0.000 1.088 40 D CA -1.371 52.214 54.000 -0.692 0.000 0.835 40 D CB 1.924 42.399 40.800 -0.542 0.000 1.078 40 D HN 0.279 nan 8.370 nan 0.000 0.495 41 P HA 0.075 nan 4.420 nan 0.000 0.235 41 P C -0.896 176.363 177.300 -0.069 0.000 1.725 41 P CA -0.045 62.833 63.100 -0.370 0.000 0.894 41 P CB -0.327 31.270 31.700 -0.171 0.000 1.704 42 Y N -1.013 119.287 120.300 0.001 0.000 2.621 42 Y HA 0.337 4.893 4.550 0.010 0.000 0.334 42 Y C 1.664 177.559 175.900 -0.009 0.000 1.074 42 Y CA -1.833 56.263 58.100 -0.007 0.000 1.149 42 Y CB 0.008 38.455 38.460 -0.022 0.000 1.302 42 Y HN -0.314 nan 8.280 nan 0.000 0.501 43 I N 0.556 121.217 120.570 0.152 0.000 3.428 43 I HA -0.028 4.149 4.170 0.012 0.000 0.286 43 I C 0.297 176.445 176.117 0.053 0.000 1.287 43 I CA 0.071 61.401 61.300 0.052 0.000 1.396 43 I CB -0.755 37.245 38.000 0.001 0.000 1.062 43 I HN 0.440 nan 8.210 nan 0.000 0.471 44 N N 1.385 120.133 118.700 0.080 0.000 2.492 44 N HA 0.157 4.904 4.740 0.012 0.000 0.262 44 N C -0.069 175.465 175.510 0.040 0.000 1.202 44 N CA 0.314 53.398 53.050 0.057 0.000 0.926 44 N CB 1.661 40.191 38.487 0.071 0.000 1.078 44 N HN 0.130 nan 8.380 nan 0.000 0.454 86 N N -0.551 118.388 118.700 0.398 0.000 2.962 86 N HA -0.203 4.545 4.740 0.012 0.000 0.206 86 N C -1.213 174.548 175.510 0.419 0.000 0.907 86 N CA 1.347 54.551 53.050 0.257 0.000 1.029 86 N CB -0.826 37.715 38.487 0.090 0.000 1.009 86 N HN 0.740 nan 8.380 nan 0.000 0.587 87 N N 0.774 119.735 118.700 0.436 0.000 2.609 87 N HA 0.246 4.993 4.740 0.012 0.000 0.268 87 N C -1.374 174.078 175.510 -0.097 0.000 1.106 87 N CA -0.418 52.735 53.050 0.171 0.000 0.823 87 N CB 0.534 39.069 38.487 0.080 0.000 1.263 87 N HN 0.159 nan 8.380 nan 0.000 0.533 88 L N 2.942 123.828 121.223 -0.563 0.000 2.417 88 L HA 0.472 4.819 4.340 0.012 0.000 0.268 88 L C 0.421 177.029 176.870 -0.436 0.000 1.158 88 L CA 0.446 54.721 54.840 -0.942 0.000 0.819 88 L CB 1.209 42.392 42.059 -1.461 0.000 1.112 88 L HN 0.650 nan 8.230 nan 0.000 0.458 89 T N -1.122 113.253 114.554 -0.298 0.000 2.864 89 T HA 0.318 4.675 4.350 0.012 0.000 0.299 89 T C 0.810 175.529 174.700 0.033 0.000 1.166 89 T CA -0.070 61.949 62.100 -0.136 0.000 1.007 89 T CB 1.223 70.043 68.868 -0.081 0.000 1.219 89 T HN 0.524 nan 8.240 nan 0.000 0.506 90 T N 1.366 116.007 114.554 0.147 0.000 2.684 90 T HA 0.016 4.373 4.350 0.012 0.000 0.267 90 T C 2.236 177.038 174.700 0.170 0.000 1.036 90 T CA 2.065 64.307 62.100 0.236 0.000 1.148 90 T CB -1.034 67.926 68.868 0.155 0.000 0.863 90 T HN 0.898 nan 8.240 nan 0.000 0.436 91 G N 1.045 109.890 108.800 0.075 0.000 2.422 91 G HA2 -0.216 3.751 3.960 0.012 0.000 0.218 91 G HA3 -0.216 3.751 3.960 0.012 0.000 0.218 91 G C 1.533 176.496 174.900 0.106 0.000 1.146 91 G CA 0.932 46.075 45.100 0.072 0.000 0.769 91 G HN 0.432 nan 8.290 nan 0.000 0.547 92 K N -0.302 120.132 120.400 0.057 0.000 2.032 92 K HA -0.034 4.293 4.320 0.012 0.000 0.209 92 K C 2.354 178.990 176.600 0.059 0.000 1.048 92 K CA 0.940 57.243 56.287 0.026 0.000 0.927 92 K CB -0.160 32.292 32.500 -0.080 0.000 0.712 92 K HN 0.180 nan 8.250 nan 0.000 0.441 93 I N 0.336 120.940 120.570 0.057 0.000 2.286 93 I HA -0.239 3.938 4.170 0.012 0.000 0.245 93 I C 2.003 178.209 176.117 0.148 0.000 1.104 93 I CA 1.454 62.794 61.300 0.067 0.000 1.397 93 I CB -0.824 37.178 38.000 0.003 0.000 1.072 93 I HN 0.191 nan 8.210 nan 0.000 0.417 94 Y N 0.944 121.265 120.300 0.035 0.000 2.145 94 Y HA -0.290 4.265 4.550 0.008 0.000 0.286 94 Y C 2.816 178.756 175.900 0.066 0.000 1.145 94 Y CA 1.836 59.957 58.100 0.036 0.000 1.148 94 Y CB -0.812 37.655 38.460 0.011 0.000 0.981 94 Y HN 0.183 nan 8.280 nan 0.000 0.507 95 Q N -0.626 119.311 119.800 0.228 0.000 2.152 95 Q HA -0.269 4.079 4.340 0.012 0.000 0.206 95 Q C 2.065 178.159 176.000 0.157 0.000 0.985 95 Q CA 1.961 57.859 55.803 0.158 0.000 0.863 95 Q CB -0.842 27.975 28.738 0.132 0.000 0.904 95 Q HN 0.591 nan 8.270 nan 0.000 0.422 96 Y N -0.589 119.747 120.300 0.061 0.000 2.070 96 Y HA -0.237 4.319 4.550 0.011 0.000 0.280 96 Y C 2.032 177.976 175.900 0.073 0.000 1.148 96 Y CA 2.016 60.151 58.100 0.058 0.000 1.125 96 Y CB -0.551 37.940 38.460 0.052 0.000 0.975 96 Y HN 0.002 nan 8.280 nan 0.000 0.492 97 V N 0.657 120.645 119.914 0.124 0.000 2.343 97 V HA -0.335 3.792 4.120 0.012 0.000 0.247 97 V C 2.463 178.597 176.094 0.066 0.000 1.051 97 V CA 1.764 64.116 62.300 0.086 0.000 1.036 97 V CB -0.751 31.083 31.823 0.019 0.000 0.654 97 V HN 0.452 nan 8.190 nan 0.000 0.451 98 I N 0.706 121.302 120.570 0.042 0.000 2.113 98 I HA -0.335 3.842 4.170 0.012 0.000 0.242 98 I C 2.262 178.394 176.117 0.025 0.000 1.064 98 I CA 2.271 63.595 61.300 0.040 0.000 1.320 98 I CB -1.451 36.587 38.000 0.063 0.000 1.028 98 I HN 0.498 nan 8.210 nan 0.000 0.406 99 N N 0.663 119.362 118.700 -0.002 0.000 2.069 99 N HA -0.211 4.536 4.740 0.012 0.000 0.191 99 N C 1.820 177.284 175.510 -0.076 0.000 1.031 99 N CA 1.178 54.206 53.050 -0.036 0.000 0.852 99 N CB -0.090 38.369 38.487 -0.046 0.000 1.018 99 N HN 0.385 nan 8.380 nan 0.000 0.423 100 K N 0.944 121.260 120.400 -0.140 0.000 2.044 100 K HA -0.190 4.137 4.320 0.012 0.000 0.210 100 K C 2.041 178.574 176.600 -0.111 0.000 1.049 100 K CA 1.028 57.186 56.287 -0.215 0.000 0.927 100 K CB -0.060 32.226 32.500 -0.356 0.000 0.713 100 K HN 0.212 nan 8.250 nan 0.000 0.443 101 E N 1.337 121.606 120.200 0.115 0.000 2.047 101 E HA -0.198 4.159 4.350 0.012 0.000 0.191 101 E C 2.049 178.679 176.600 0.050 0.000 0.987 101 E CA 1.166 57.683 56.400 0.196 0.000 0.799 101 E CB -0.006 29.798 29.700 0.175 0.000 0.752 101 E HN 0.162 nan 8.360 nan 0.000 0.449 102 R N 0.725 121.236 120.500 0.019 0.000 2.139 102 R HA -0.144 4.203 4.340 0.012 0.000 0.243 102 R C 2.134 178.424 176.300 -0.018 0.000 1.145 102 R CA 2.026 58.125 56.100 -0.001 0.000 0.976 102 R CB -0.133 30.165 30.300 -0.003 0.000 0.866 102 R HN 0.079 nan 8.270 nan 0.000 0.449 103 K N -1.401 118.975 120.400 -0.041 0.000 2.437 103 K HA 0.134 4.461 4.320 0.012 0.000 0.198 103 K C 0.633 177.193 176.600 -0.067 0.000 1.024 103 K CA 0.664 56.918 56.287 -0.055 0.000 1.148 103 K CB 0.723 33.182 32.500 -0.069 0.000 0.860 103 K HN 0.223 nan 8.250 nan 0.000 0.515 104 G N 1.658 110.425 108.800 -0.056 0.000 2.179 104 G HA2 -0.255 3.712 3.960 0.012 0.000 0.260 104 G HA3 -0.255 3.712 3.960 0.012 0.000 0.260 104 G C 0.246 175.087 174.900 -0.099 0.000 0.977 104 G CA 0.412 45.483 45.100 -0.050 0.000 0.641 104 G HN 0.448 nan 8.290 nan 0.000 0.533 105 D N -0.545 119.724 120.400 -0.218 0.000 2.263 105 D HA -0.015 4.632 4.640 0.012 0.000 0.208 105 D C 1.504 177.546 176.300 -0.430 0.000 0.971 105 D CA 0.914 54.691 54.000 -0.371 0.000 0.867 105 D CB -0.189 40.272 40.800 -0.566 0.000 0.929 105 D HN 0.685 nan 8.370 nan 0.000 0.492 106 Y N -0.193 120.091 120.300 -0.026 0.000 2.532 106 Y HA 0.306 4.861 4.550 0.009 0.000 0.283 106 Y C 0.658 176.553 175.900 -0.007 0.000 1.181 106 Y CA -0.412 57.685 58.100 -0.005 0.000 1.256 106 Y CB -0.130 38.301 38.460 -0.049 0.000 1.112 106 Y HN -0.233 nan 8.280 nan 0.000 0.521 107 L N 0.516 121.775 121.223 0.060 0.000 3.677 107 L HA -0.314 4.033 4.340 0.012 0.000 0.464 107 L C 1.334 178.232 176.870 0.046 0.000 1.278 107 L CA 0.802 55.665 54.840 0.040 0.000 0.806 107 L CB -1.796 40.286 42.059 0.039 0.000 1.610 107 L HN 0.664 nan 8.230 nan 0.000 0.867 108 G N -0.772 108.054 108.800 0.043 0.000 2.212 108 G HA2 -0.320 3.647 3.960 0.012 0.000 0.267 108 G HA3 -0.320 3.647 3.960 0.012 0.000 0.267 108 G C 0.541 175.452 174.900 0.020 0.000 1.002 108 G CA 1.106 46.221 45.100 0.026 0.000 0.729 108 G HN 0.546 nan 8.290 nan 0.000 0.517 109 K N -0.012 120.409 120.400 0.034 0.000 2.109 109 K HA 0.481 4.808 4.320 0.012 0.000 0.243 109 K C 0.444 177.007 176.600 -0.062 0.000 1.006 109 K CA -0.442 55.850 56.287 0.008 0.000 0.917 109 K CB 0.686 33.216 32.500 0.050 0.000 1.081 109 K HN 0.092 nan 8.250 nan 0.000 0.468 110 T N 1.216 115.723 114.554 -0.078 0.000 2.901 110 T HA 0.156 4.513 4.350 0.012 0.000 0.301 110 T C 0.020 174.533 174.700 -0.311 0.000 1.012 110 T CA -0.505 61.513 62.100 -0.136 0.000 1.135 110 T CB 0.524 69.344 68.868 -0.081 0.000 0.936 110 T HN 0.162 nan 8.240 nan 0.000 0.539 111 V N 4.376 124.027 119.914 -0.438 0.000 2.459 111 V HA 0.442 4.569 4.120 0.012 0.000 0.295 111 V C -0.014 175.799 176.094 -0.468 0.000 1.029 111 V CA -0.747 61.036 62.300 -0.861 0.000 0.874 111 V CB 1.458 32.746 31.823 -0.891 0.000 0.985 111 V HN 0.824 nan 8.190 nan 0.000 0.438 112 Q N 2.106 121.710 119.800 -0.326 0.000 2.456 112 Q HA 0.458 4.805 4.340 0.012 0.000 0.283 112 Q C 0.595 176.556 176.000 -0.065 0.000 1.084 112 Q CA -0.857 54.893 55.803 -0.088 0.000 0.801 112 Q CB 2.686 31.434 28.738 0.016 0.000 1.434 112 Q HN 0.381 nan 8.270 nan 0.000 0.419 113 V N 0.358 120.221 119.914 -0.085 0.000 2.250 113 V HA -0.167 3.960 4.120 0.012 0.000 0.250 113 V C 0.731 176.763 176.094 -0.103 0.000 1.060 113 V CA 1.544 63.773 62.300 -0.119 0.000 1.030 113 V CB -0.163 31.627 31.823 -0.055 0.000 0.643 113 V HN 0.494 nan 8.190 nan 0.000 0.445 114 V N 1.367 121.246 119.914 -0.058 0.000 2.409 114 V HA 0.328 4.455 4.120 0.012 0.000 0.291 114 V C -1.426 174.641 176.094 -0.046 0.000 1.020 114 V CA -0.948 61.312 62.300 -0.068 0.000 0.848 114 V CB 1.433 33.224 31.823 -0.053 0.000 0.990 114 V HN 0.319 nan 8.190 nan 0.000 0.430 115 P HA 0.112 nan 4.420 nan 0.000 0.257 115 P C 0.686 177.814 177.300 -0.288 0.000 1.241 115 P CA 0.508 63.468 63.100 -0.233 0.000 0.816 115 P CB 0.418 31.934 31.700 -0.306 0.000 1.150 116 H N -0.375 118.589 119.070 -0.177 0.000 2.372 116 H HA 0.116 4.679 4.556 0.012 0.000 0.301 116 H C 2.075 177.288 175.328 -0.192 0.000 1.065 116 H CA 1.098 57.017 56.048 -0.215 0.000 1.364 116 H CB -0.580 28.930 29.762 -0.419 0.000 1.406 116 H HN 0.030 nan 8.280 nan 0.000 0.521 117 I N 0.416 120.896 120.570 -0.149 0.000 2.286 117 I HA -0.231 3.946 4.170 0.012 0.000 0.245 117 I C 2.364 178.351 176.117 -0.216 0.000 1.104 117 I CA 1.631 62.776 61.300 -0.259 0.000 1.397 117 I CB -0.238 37.484 38.000 -0.463 0.000 1.072 117 I HN 0.444 nan 8.210 nan 0.000 0.417 118 T N -2.271 112.163 114.554 -0.201 0.000 2.833 118 T HA -0.172 4.185 4.350 0.012 0.000 0.269 118 T C 1.538 176.144 174.700 -0.156 0.000 1.054 118 T CA 1.325 63.303 62.100 -0.202 0.000 1.135 118 T CB -0.433 68.334 68.868 -0.168 0.000 0.869 118 T HN 0.191 nan 8.240 nan 0.000 0.466 119 D N 2.177 122.510 120.400 -0.110 0.000 2.104 119 D HA 0.005 4.652 4.640 0.012 0.000 0.194 119 D C 2.511 178.809 176.300 -0.002 0.000 0.994 119 D CA 1.561 55.532 54.000 -0.049 0.000 0.830 119 D CB -0.749 40.032 40.800 -0.032 0.000 0.959 119 D HN 0.566 nan 8.370 nan 0.000 0.452 120 A N 1.033 123.865 122.820 0.021 0.000 1.933 120 A HA -0.149 4.178 4.320 0.012 0.000 0.218 120 A C 2.307 179.888 177.584 -0.006 0.000 1.175 120 A CA 0.929 53.007 52.037 0.068 0.000 0.628 120 A CB -0.584 18.491 19.000 0.125 0.000 0.814 120 A HN 0.203 nan 8.150 nan 0.000 0.444 121 I N -0.664 119.849 120.570 -0.095 0.000 2.315 121 I HA -0.260 3.917 4.170 0.012 0.000 0.248 121 I C 2.556 178.579 176.117 -0.156 0.000 1.117 121 I CA 1.436 62.665 61.300 -0.119 0.000 1.404 121 I CB -1.096 36.758 38.000 -0.244 0.000 1.071 121 I HN 0.500 nan 8.210 nan 0.000 0.419 122 Q N 0.826 120.498 119.800 -0.213 0.000 2.083 122 Q HA -0.168 4.179 4.340 0.012 0.000 0.198 122 Q C 2.092 178.064 176.000 -0.046 0.000 0.969 122 Q CA 1.151 56.803 55.803 -0.252 0.000 0.838 122 Q CB -0.046 28.657 28.738 -0.059 0.000 0.900 122 Q HN 0.508 nan 8.270 nan 0.000 0.436 123 E N 0.075 120.296 120.200 0.034 0.000 2.085 123 E HA -0.226 4.131 4.350 0.012 0.000 0.194 123 E C 1.509 178.154 176.600 0.075 0.000 0.994 123 E CA 1.211 57.657 56.400 0.076 0.000 0.801 123 E CB -0.161 29.596 29.700 0.094 0.000 0.743 123 E HN 0.389 nan 8.360 nan 0.000 0.453 124 W N 0.675 121.912 121.300 -0.105 0.000 2.379 124 W HA -0.200 4.466 4.660 0.010 0.000 0.307 124 W C 2.070 178.558 176.519 -0.051 0.000 1.200 124 W CA 1.222 58.506 57.345 -0.103 0.000 1.297 124 W CB -0.375 29.008 29.460 -0.129 0.000 1.140 124 W HN -0.179 nan 8.180 nan 0.000 0.507 125 V N 1.171 121.171 119.914 0.144 0.000 2.332 125 V HA -0.388 3.739 4.120 0.012 0.000 0.248 125 V C 2.242 178.342 176.094 0.011 0.000 1.055 125 V CA 2.321 64.630 62.300 0.015 0.000 1.038 125 V CB -1.009 30.757 31.823 -0.095 0.000 0.651 125 V HN 0.302 nan 8.190 nan 0.000 0.450 126 M N -0.514 119.128 119.600 0.069 0.000 2.080 126 M HA -0.185 4.302 4.480 0.012 0.000 0.260 126 M C 2.299 178.625 176.300 0.044 0.000 1.068 126 M CA 1.971 57.386 55.300 0.191 0.000 1.109 126 M CB -0.337 32.381 32.600 0.196 0.000 1.342 126 M HN 0.099 nan 8.290 nan 0.000 0.405 127 R N -0.842 119.606 120.500 -0.086 0.000 2.066 127 R HA -0.129 4.218 4.340 0.012 0.000 0.232 127 R C 2.271 178.431 176.300 -0.233 0.000 1.131 127 R CA 1.451 57.462 56.100 -0.148 0.000 0.955 127 R CB -0.337 29.853 30.300 -0.183 0.000 0.851 127 R HN 0.432 nan 8.270 nan 0.000 0.432 128 Q N 0.268 119.804 119.800 -0.440 0.000 2.020 128 Q HA -0.105 4.242 4.340 0.012 0.000 0.202 128 Q C 2.159 178.012 176.000 -0.245 0.000 0.982 128 Q CA 1.803 57.333 55.803 -0.454 0.000 0.838 128 Q CB -0.683 27.553 28.738 -0.836 0.000 0.899 128 Q HN 0.323 nan 8.270 nan 0.000 0.423 129 A N 1.069 123.792 122.820 -0.162 0.000 1.958 129 A HA -0.190 4.137 4.320 0.012 0.000 0.221 129 A C 2.018 179.529 177.584 -0.122 0.000 1.178 129 A CA 1.422 53.401 52.037 -0.097 0.000 0.642 129 A CB -0.539 18.487 19.000 0.044 0.000 0.816 129 A HN 0.289 nan 8.150 nan 0.000 0.453 130 L N -0.497 120.673 121.223 -0.088 0.000 2.291 130 L HA 0.119 4.466 4.340 0.012 0.000 0.214 130 L C 1.031 177.855 176.870 -0.077 0.000 1.120 130 L CA 0.718 55.514 54.840 -0.074 0.000 0.799 130 L CB -1.074 40.963 42.059 -0.037 0.000 0.925 130 L HN 0.352 nan 8.230 nan 0.000 0.446 131 I N 1.701 122.218 120.570 -0.088 0.000 2.618 131 I HA 0.026 4.203 4.170 0.012 0.000 0.284 131 I C -1.733 174.367 176.117 -0.028 0.000 1.146 131 I CA -1.454 59.812 61.300 -0.057 0.000 1.425 131 I CB 0.438 38.396 38.000 -0.070 0.000 1.383 131 I HN -0.057 nan 8.210 nan 0.000 0.562 132 P HA 0.112 nan 4.420 nan 0.000 0.272 132 P C -0.312 177.065 177.300 0.128 0.000 1.240 132 P CA -0.103 63.073 63.100 0.126 0.000 0.791 132 P CB 0.766 32.528 31.700 0.102 0.000 0.978 133 V N 0.285 120.355 119.914 0.260 0.000 3.829 133 V HA 0.178 4.305 4.120 0.012 0.000 0.578 133 V C -0.856 175.287 176.094 0.081 0.000 1.802 133 V CA -0.322 62.093 62.300 0.192 0.000 2.505 133 V CB 0.098 32.043 31.823 0.203 0.000 1.157 133 V HN 0.722 nan 8.190 nan 0.000 0.649 134 D N -2.196 118.154 120.400 -0.083 0.000 2.610 134 D HA 0.444 5.091 4.640 0.012 0.000 0.271 134 D C 0.712 176.914 176.300 -0.164 0.000 1.174 134 D CA -0.698 53.125 54.000 -0.294 0.000 0.949 134 D CB 1.264 41.678 40.800 -0.645 0.000 1.430 134 D HN -0.195 nan 8.370 nan 0.000 0.467 135 E N -0.497 119.600 120.200 -0.171 0.000 2.118 135 E HA 0.043 4.400 4.350 0.012 0.000 0.195 135 E C -0.367 176.183 176.600 -0.084 0.000 0.992 135 E CA 1.966 58.304 56.400 -0.104 0.000 0.804 135 E CB -0.131 29.514 29.700 -0.093 0.000 0.741 135 E HN 0.635 nan 8.360 nan 0.000 0.458 136 D N -3.415 116.925 120.400 -0.101 0.000 2.623 136 D HA 0.260 4.907 4.640 0.012 0.000 0.241 136 D C -0.055 176.211 176.300 -0.057 0.000 1.241 136 D CA -0.591 53.371 54.000 -0.063 0.000 0.788 136 D CB 0.431 41.205 40.800 -0.043 0.000 1.413 136 D HN -0.059 nan 8.370 nan 0.000 0.429 137 G N 0.635 109.421 108.800 -0.023 0.000 3.102 137 G HA2 0.425 4.392 3.960 0.012 0.000 0.264 137 G HA3 0.425 4.392 3.960 0.012 0.000 0.264 137 G C -0.537 174.379 174.900 0.027 0.000 0.788 137 G CA -0.123 44.980 45.100 0.005 0.000 2.029 137 G HN 0.256 nan 8.290 nan 0.000 0.608 138 L N 0.172 121.425 121.223 0.049 0.000 2.399 138 L HA 0.411 4.758 4.340 0.012 0.000 0.265 138 L C 0.410 177.362 176.870 0.136 0.000 1.089 138 L CA -0.906 53.981 54.840 0.079 0.000 0.802 138 L CB 1.328 43.432 42.059 0.075 0.000 1.180 138 L HN 0.268 nan 8.230 nan 0.000 0.454 139 E N 2.464 122.698 120.200 0.057 0.000 2.413 139 E HA 0.130 4.487 4.350 0.012 0.000 0.263 139 E C -2.206 174.337 176.600 -0.095 0.000 1.015 139 E CA -1.068 55.324 56.400 -0.014 0.000 0.916 139 E CB -0.161 29.516 29.700 -0.038 0.000 0.947 139 E HN 0.312 nan 8.360 nan 0.000 0.440 140 P HA -0.060 nan 4.420 nan 0.000 0.268 140 P C -0.130 176.968 177.300 -0.335 0.000 1.208 140 P CA 0.212 62.899 63.100 -0.688 0.000 0.777 140 P CB 0.565 31.889 31.700 -0.627 0.000 0.875 141 Q N 0.032 119.669 119.800 -0.273 0.000 2.250 141 Q HA 0.111 4.458 4.340 0.012 0.000 0.200 141 Q C -0.056 175.817 176.000 -0.211 0.000 0.941 141 Q CA 0.709 56.411 55.803 -0.169 0.000 0.872 141 Q CB 0.341 29.027 28.738 -0.086 0.000 0.965 141 Q HN 0.251 nan 8.270 nan 0.000 0.480 142 V N -0.500 119.266 119.914 -0.247 0.000 2.925 142 V HA 0.349 4.477 4.120 0.012 0.000 0.311 142 V C -1.202 174.722 176.094 -0.283 0.000 1.104 142 V CA -1.236 60.903 62.300 -0.269 0.000 0.954 142 V CB 2.133 33.821 31.823 -0.226 0.000 1.022 142 V HN 0.146 nan 8.190 nan 0.000 0.427 143 C N 4.365 123.485 119.300 -0.300 0.000 2.383 143 C HA 0.752 5.219 4.460 0.012 0.000 0.330 143 C C -0.387 174.524 174.990 -0.132 0.000 1.168 143 C CA -0.232 58.660 59.018 -0.210 0.000 1.374 143 C CB 0.185 27.794 27.740 -0.219 0.000 2.014 143 C HN 0.740 nan 8.230 nan 0.000 0.439 144 V N 8.012 127.856 119.914 -0.116 0.000 2.432 144 V HA 0.361 4.488 4.120 0.012 0.000 0.271 144 V C 0.286 176.349 176.094 -0.052 0.000 1.046 144 V CA 0.067 62.303 62.300 -0.107 0.000 0.945 144 V CB 0.997 32.752 31.823 -0.114 0.000 0.992 144 V HN 0.741 nan 8.190 nan 0.000 0.471 145 I N 4.357 124.893 120.570 -0.058 0.000 2.330 145 I HA 0.396 4.573 4.170 0.012 0.000 0.289 145 I C 0.304 176.364 176.117 -0.095 0.000 1.001 145 I CA -0.234 61.040 61.300 -0.043 0.000 1.193 145 I CB 1.277 39.234 38.000 -0.071 0.000 1.345 145 I HN 0.627 nan 8.210 nan 0.000 0.461 146 E N 6.590 126.753 120.200 -0.063 0.000 2.081 146 E HA 0.261 4.619 4.350 0.012 0.000 0.281 146 E C -1.314 175.219 176.600 -0.112 0.000 0.986 146 E CA -0.910 55.441 56.400 -0.081 0.000 0.796 146 E CB 1.259 30.924 29.700 -0.058 0.000 1.085 146 E HN 0.390 nan 8.360 nan 0.000 0.398 147 L N 5.402 126.544 121.223 -0.136 0.000 2.257 147 L HA 0.466 4.813 4.340 0.012 0.000 0.290 147 L C 0.325 177.098 176.870 -0.161 0.000 1.044 147 L CA 0.054 54.791 54.840 -0.172 0.000 0.810 147 L CB 0.960 42.942 42.059 -0.129 0.000 1.193 147 L HN 0.584 nan 8.230 nan 0.000 0.425 148 G N 2.916 111.572 108.800 -0.240 0.000 2.684 148 G HA2 0.499 4.466 3.960 0.012 0.000 0.255 148 G HA3 0.499 4.466 3.960 0.012 0.000 0.255 148 G C 0.165 174.989 174.900 -0.126 0.000 1.219 148 G CA 0.180 45.161 45.100 -0.198 0.000 0.901 148 G HN 1.405 nan 8.290 nan 0.000 0.548 149 G N -1.656 107.132 108.800 -0.019 0.000 2.725 149 G HA2 0.221 4.188 3.960 0.012 0.000 0.220 149 G HA3 0.221 4.188 3.960 0.012 0.000 0.220 149 G C -0.267 174.664 174.900 0.052 0.000 1.357 149 G CA 0.017 45.152 45.100 0.059 0.000 0.866 149 G HN 1.399 nan 8.290 nan 0.000 0.548 150 T N -0.055 114.543 114.554 0.073 0.000 2.848 150 T HA 0.553 4.910 4.350 0.012 0.000 0.285 150 T C 0.391 175.151 174.700 0.100 0.000 0.995 150 T CA -0.220 61.925 62.100 0.075 0.000 0.970 150 T CB 1.986 70.889 68.868 0.059 0.000 0.976 150 T HN 1.138 nan 8.240 nan 0.000 0.441 151 V N 3.161 123.157 119.914 0.136 0.000 2.584 151 V HA 0.332 4.459 4.120 0.012 0.000 0.303 151 V C 1.577 177.729 176.094 0.096 0.000 1.035 151 V CA 2.042 64.420 62.300 0.131 0.000 1.172 151 V CB 0.115 32.032 31.823 0.157 0.000 0.896 151 V HN 1.325 nan 8.190 nan 0.000 0.486 152 G N 3.870 112.719 108.800 0.082 0.000 2.307 152 G HA2 -0.166 3.801 3.960 0.012 0.000 0.210 152 G HA3 -0.166 3.801 3.960 0.012 0.000 0.210 152 G C -0.034 174.904 174.900 0.065 0.000 1.005 152 G CA -0.082 45.056 45.100 0.064 0.000 0.634 152 G HN 0.640 nan 8.290 nan 0.000 0.496 153 D N 0.550 120.996 120.400 0.076 0.000 2.414 153 D HA 0.371 5.018 4.640 0.012 0.000 0.242 153 D C 1.920 178.272 176.300 0.085 0.000 1.129 153 D CA -0.215 53.832 54.000 0.078 0.000 0.885 153 D CB 0.888 41.743 40.800 0.092 0.000 1.198 153 D HN 0.213 nan 8.370 nan 0.000 0.437 154 I N 1.370 121.983 120.570 0.072 0.000 2.163 154 I HA -0.327 3.850 4.170 0.012 0.000 0.243 154 I C 2.444 178.618 176.117 0.095 0.000 1.085 154 I CA 1.304 62.645 61.300 0.069 0.000 1.347 154 I CB -0.253 37.776 38.000 0.048 0.000 1.044 154 I HN 0.563 nan 8.210 nan 0.000 0.408 155 E N 1.152 121.421 120.200 0.115 0.000 2.130 155 E HA -0.279 4.078 4.350 0.012 0.000 0.196 155 E C 1.975 178.724 176.600 0.249 0.000 0.998 155 E CA 1.986 58.484 56.400 0.164 0.000 0.806 155 E CB -0.416 29.398 29.700 0.190 0.000 0.738 155 E HN 0.556 nan 8.360 nan 0.000 0.459 156 S N -0.437 115.401 115.700 0.231 0.000 2.558 156 S HA 0.084 4.561 4.470 0.012 0.000 0.217 156 S C 1.881 176.654 174.600 0.289 0.000 0.975 156 S CA 0.007 58.399 58.200 0.320 0.000 0.912 156 S CB 0.116 63.434 63.200 0.196 0.000 0.776 156 S HN 0.101 nan 8.310 nan 0.000 0.526 157 M N 2.142 121.844 119.600 0.171 0.000 2.080 157 M HA 0.044 4.531 4.480 0.012 0.000 0.260 157 M C -0.782 175.551 176.300 0.055 0.000 1.068 157 M CA 1.069 56.432 55.300 0.105 0.000 1.109 157 M CB -2.792 29.849 32.600 0.068 0.000 1.342 157 M HN 0.213 nan 8.290 nan 0.000 0.405 158 P HA -0.146 nan 4.420 nan 0.000 0.217 158 P C 1.480 178.630 177.300 -0.249 0.000 1.148 158 P CA 1.413 64.388 63.100 -0.208 0.000 0.828 158 P CB -0.254 31.217 31.700 -0.381 0.000 0.783 159 F N -1.348 118.635 119.950 0.056 0.000 2.149 159 F HA -0.085 4.448 4.527 0.010 0.000 0.294 159 F C 2.349 178.271 175.800 0.203 0.000 1.095 159 F CA 0.589 58.645 58.000 0.094 0.000 1.276 159 F CB -0.888 38.209 39.000 0.162 0.000 1.023 159 F HN -0.231 nan 8.300 nan 0.000 0.480 160 I N 0.623 121.417 120.570 0.372 0.000 2.151 160 I HA -0.300 3.877 4.170 0.012 0.000 0.243 160 I C 2.437 178.673 176.117 0.198 0.000 1.080 160 I CA 1.764 63.238 61.300 0.290 0.000 1.339 160 I CB -1.248 36.863 38.000 0.185 0.000 1.039 160 I HN 0.203 nan 8.210 nan 0.000 0.409 161 E N 1.332 121.592 120.200 0.100 0.000 2.072 161 E HA -0.135 4.222 4.350 0.012 0.000 0.191 161 E C 2.202 178.790 176.600 -0.020 0.000 0.985 161 E CA 1.634 58.054 56.400 0.034 0.000 0.801 161 E CB -0.257 29.439 29.700 -0.006 0.000 0.750 161 E HN 0.363 nan 8.360 nan 0.000 0.452 162 A N -0.130 122.627 122.820 -0.106 0.000 1.903 162 A HA -0.203 4.124 4.320 0.012 0.000 0.219 162 A C 2.089 179.495 177.584 -0.297 0.000 1.191 162 A CA 1.934 53.805 52.037 -0.277 0.000 0.638 162 A CB -1.068 17.644 19.000 -0.480 0.000 0.823 162 A HN 0.398 nan 8.150 nan 0.000 0.451 163 F N -0.956 118.997 119.950 0.005 0.000 2.512 163 F HA 0.102 4.636 4.527 0.012 0.000 0.296 163 F C 2.274 177.993 175.800 -0.136 0.000 1.110 163 F CA 0.921 58.900 58.000 -0.035 0.000 1.446 163 F CB -0.251 38.804 39.000 0.091 0.000 1.092 163 F HN 0.186 nan 8.300 nan 0.000 0.554 164 R N 0.645 121.197 120.500 0.087 0.000 2.105 164 R HA -0.196 4.151 4.340 0.012 0.000 0.239 164 R C 1.821 178.097 176.300 -0.041 0.000 1.135 164 R CA 1.831 57.939 56.100 0.013 0.000 0.967 164 R CB -0.176 30.174 30.300 0.083 0.000 0.861 164 R HN 0.360 nan 8.270 nan 0.000 0.442 165 Q N -1.013 118.792 119.800 0.007 0.000 2.163 165 Q HA -0.091 4.256 4.340 0.012 0.000 0.198 165 Q C 1.862 177.846 176.000 -0.026 0.000 0.954 165 Q CA 1.100 56.941 55.803 0.064 0.000 0.851 165 Q CB -0.078 28.682 28.738 0.036 0.000 0.928 165 Q HN 0.316 nan 8.270 nan 0.000 0.459 166 F N 2.743 122.524 119.950 -0.281 0.000 2.202 166 F HA -0.262 4.272 4.527 0.013 0.000 0.301 166 F C 2.556 178.023 175.800 -0.554 0.000 1.082 166 F CA 1.694 59.471 58.000 -0.371 0.000 1.313 166 F CB 0.087 38.857 39.000 -0.383 0.000 1.024 166 F HN 0.110 nan 8.300 nan 0.000 0.495 167 Q N -0.845 118.482 119.800 -0.790 0.000 2.291 167 Q HA -0.201 4.146 4.340 0.012 0.000 0.205 167 Q C 1.477 177.056 176.000 -0.703 0.000 0.970 167 Q CA 1.601 56.791 55.803 -1.022 0.000 0.876 167 Q CB -0.703 27.406 28.738 -1.049 0.000 0.935 167 Q HN 0.434 nan 8.270 nan 0.000 0.455 168 F N 1.133 120.946 119.950 -0.228 0.000 2.446 168 F HA 0.201 4.734 4.527 0.011 0.000 0.292 168 F C 2.309 178.006 175.800 -0.172 0.000 1.096 168 F CA 0.558 58.471 58.000 -0.146 0.000 1.438 168 F CB -0.193 38.752 39.000 -0.093 0.000 1.107 168 F HN 0.028 nan 8.300 nan 0.000 0.546 169 K N 1.146 121.485 120.400 -0.102 0.000 1.963 169 K HA -0.103 4.224 4.320 0.012 0.000 0.216 169 K C 0.707 177.167 176.600 -0.233 0.000 1.045 169 K CA 1.265 57.455 56.287 -0.162 0.000 0.954 169 K CB -0.568 31.806 32.500 -0.210 0.000 0.732 169 K HN 0.027 nan 8.250 nan 0.000 0.442 170 V N 1.674 121.302 119.914 -0.476 0.000 2.572 170 V HA 0.175 4.302 4.120 0.012 0.000 0.291 170 V C -0.446 175.526 176.094 -0.204 0.000 1.039 170 V CA -0.927 61.159 62.300 -0.356 0.000 1.055 170 V CB 0.826 32.305 31.823 -0.573 0.000 0.969 170 V HN 0.196 nan 8.190 nan 0.000 0.482 171 K N 4.434 124.798 120.400 -0.060 0.000 2.219 171 K HA 0.276 4.603 4.320 0.012 0.000 0.258 171 K C 1.186 177.808 176.600 0.036 0.000 1.008 171 K CA -0.095 56.193 56.287 0.001 0.000 0.928 171 K CB 0.371 32.890 32.500 0.031 0.000 0.983 171 K HN 0.747 nan 8.250 nan 0.000 0.484 172 R N 1.222 121.756 120.500 0.057 0.000 2.152 172 R HA -0.164 4.183 4.340 0.012 0.000 0.232 172 R C 1.749 178.119 176.300 0.118 0.000 1.117 172 R CA 1.606 57.764 56.100 0.096 0.000 0.981 172 R CB 0.003 30.359 30.300 0.093 0.000 0.870 172 R HN 0.706 nan 8.270 nan 0.000 0.451 173 E N 0.154 120.405 120.200 0.086 0.000 2.171 173 E HA -0.214 4.144 4.350 0.012 0.000 0.197 173 E C 0.591 177.238 176.600 0.078 0.000 0.997 173 E CA 1.573 58.013 56.400 0.067 0.000 0.810 173 E CB -0.236 29.491 29.700 0.046 0.000 0.738 173 E HN 0.428 nan 8.360 nan 0.000 0.467 174 N N -0.779 117.990 118.700 0.116 0.000 2.214 174 N HA 0.199 4.946 4.740 0.012 0.000 0.214 174 N C -1.089 174.593 175.510 0.286 0.000 1.132 174 N CA -0.136 53.008 53.050 0.157 0.000 0.856 174 N CB 0.413 38.998 38.487 0.163 0.000 1.020 174 N HN 0.051 nan 8.380 nan 0.000 0.509 175 F N 0.296 120.294 119.950 0.080 0.000 2.588 175 F HA 0.669 5.203 4.527 0.011 0.000 0.314 175 F C -1.185 174.666 175.800 0.084 0.000 1.069 175 F CA -1.383 56.677 58.000 0.099 0.000 0.931 175 F CB 1.516 40.522 39.000 0.010 0.000 1.260 175 F HN -0.106 nan 8.300 nan 0.000 0.465 176 C N 5.236 124.105 119.300 -0.718 0.000 3.094 176 C HA 0.520 4.987 4.460 0.012 0.000 0.414 176 C C -1.955 172.774 174.990 -0.435 0.000 0.993 176 C CA -0.660 58.176 59.018 -0.303 0.000 1.217 176 C CB 0.450 28.121 27.740 -0.114 0.000 1.603 176 C HN 0.921 nan 8.230 nan 0.000 0.564 177 N N 4.991 123.612 118.700 -0.132 0.000 2.354 177 N HA 0.708 5.455 4.740 0.012 0.000 0.287 177 N C -1.233 174.309 175.510 0.053 0.000 1.016 177 N CA -0.430 52.580 53.050 -0.068 0.000 0.871 177 N CB 0.915 39.434 38.487 0.054 0.000 1.299 177 N HN 0.667 nan 8.380 nan 0.000 0.482 178 I N 2.366 122.968 120.570 0.053 0.000 2.336 178 I HA 0.213 4.391 4.170 0.012 0.000 0.292 178 I C -0.561 175.625 176.117 0.116 0.000 0.991 178 I CA -0.862 60.493 61.300 0.092 0.000 1.227 178 I CB 1.055 39.112 38.000 0.094 0.000 1.366 178 I HN 0.626 nan 8.210 nan 0.000 0.466 179 H N 5.760 124.832 119.070 0.003 0.000 2.587 179 H HA 0.457 5.020 4.556 0.011 0.000 0.325 179 H C -1.166 174.157 175.328 -0.007 0.000 1.012 179 H CA -0.483 55.564 56.048 -0.001 0.000 1.213 179 H CB 1.217 30.983 29.762 0.007 0.000 1.431 179 H HN 0.249 nan 8.280 nan 0.000 0.492 180 V N 4.784 124.495 119.914 -0.339 0.000 2.432 180 V HA 0.357 4.484 4.120 0.012 0.000 0.271 180 V C 0.417 176.268 176.094 -0.404 0.000 1.046 180 V CA -0.145 61.993 62.300 -0.271 0.000 0.945 180 V CB 0.775 32.499 31.823 -0.166 0.000 0.992 180 V HN 0.822 nan 8.190 nan 0.000 0.471 181 S N 4.408 119.963 115.700 -0.242 0.000 2.661 181 S HA 0.802 5.279 4.470 0.012 0.000 0.285 181 S C -1.279 173.269 174.600 -0.087 0.000 1.138 181 S CA -0.684 57.413 58.200 -0.173 0.000 0.855 181 S CB 1.789 64.928 63.200 -0.101 0.000 1.136 181 S HN 0.616 nan 8.310 nan 0.000 0.484 182 L N 2.699 123.888 121.223 -0.056 0.000 2.317 182 L HA 0.765 5.112 4.340 0.012 0.000 0.281 182 L C -1.294 175.563 176.870 -0.022 0.000 1.024 182 L CA -0.302 54.516 54.840 -0.036 0.000 0.810 182 L CB 1.675 43.716 42.059 -0.029 0.000 1.240 182 L HN 0.469 nan 8.230 nan 0.000 0.427 183 V N 6.687 126.592 119.914 -0.015 0.000 2.266 183 V HA 0.380 4.507 4.120 0.012 0.000 0.271 183 V C -2.106 173.985 176.094 -0.005 0.000 1.032 183 V CA -1.438 60.858 62.300 -0.007 0.000 0.806 183 V CB 0.794 32.617 31.823 -0.001 0.000 1.052 183 V HN 0.720 nan 8.190 nan 0.000 0.449 184 P HA 0.120 nan 4.420 nan 0.000 0.267 184 P C -0.487 176.810 177.300 -0.004 0.000 1.200 184 P CA 0.089 63.185 63.100 -0.006 0.000 0.772 184 P CB 0.489 32.184 31.700 -0.009 0.000 0.855 185 Q N 2.656 122.454 119.800 -0.003 0.000 2.932 185 Q HA 0.334 4.681 4.340 0.012 0.000 0.248 185 Q C -2.461 173.537 176.000 -0.003 0.000 0.982 185 Q CA -1.850 53.952 55.803 -0.002 0.000 0.730 185 Q CB 0.437 29.175 28.738 -0.001 0.000 1.249 185 Q HN 0.299 nan 8.270 nan 0.000 0.476 186 P HA 0.147 nan 4.420 nan 0.000 0.271 186 P C 0.128 177.426 177.300 -0.004 0.000 1.218 186 P CA -0.194 62.904 63.100 -0.004 0.000 0.780 186 P CB 1.369 33.066 31.700 -0.004 0.000 0.901 187 S N -0.497 115.201 115.700 -0.004 0.000 2.402 187 S HA -0.049 4.428 4.470 0.012 0.000 0.229 187 S C 1.044 175.642 174.600 -0.003 0.000 1.021 187 S CA 0.786 58.984 58.200 -0.004 0.000 0.974 187 S CB -0.279 62.919 63.200 -0.004 0.000 0.800 187 S HN 0.494 nan 8.310 nan 0.000 0.484 191 E N 1.505 121.705 120.200 0.000 0.000 2.301 191 E HA 0.465 4.822 4.350 0.012 0.000 0.275 191 E C -0.856 175.745 176.600 0.002 0.000 1.030 191 E CA -0.439 55.962 56.400 0.002 0.000 0.852 191 E CB 1.180 30.883 29.700 0.005 0.000 1.060 191 E HN 0.287 nan 8.360 nan 0.000 0.401 192 Q N 2.246 122.048 119.800 0.005 0.000 2.294 192 Q HA 0.181 4.528 4.340 0.012 0.000 0.257 192 Q C -0.609 175.394 176.000 0.006 0.000 0.955 192 Q CA -0.499 55.307 55.803 0.005 0.000 0.936 192 Q CB 1.063 29.806 28.738 0.008 0.000 1.188 192 Q HN 0.203 nan 8.270 nan 0.000 0.420 193 K N 2.137 122.537 120.400 0.000 0.000 2.227 193 K HA 0.114 4.441 4.320 0.012 0.000 0.280 193 K C 0.831 177.426 176.600 -0.008 0.000 1.041 193 K CA -0.094 56.190 56.287 -0.006 0.000 0.905 193 K CB 1.218 33.711 32.500 -0.012 0.000 1.068 193 K HN 0.694 nan 8.250 nan 0.000 0.470 194 T N -1.370 113.177 114.554 -0.012 0.000 3.040 194 T HA 0.074 4.431 4.350 0.012 0.000 0.250 194 T C 1.521 176.183 174.700 -0.063 0.000 1.058 194 T CA -0.040 62.050 62.100 -0.017 0.000 0.988 194 T CB 0.246 69.124 68.868 0.016 0.000 0.993 194 T HN 0.273 nan 8.240 nan 0.000 0.519 195 K N 2.336 122.689 120.400 -0.079 0.000 2.020 195 K HA 0.010 4.337 4.320 0.012 0.000 0.212 195 K C -0.853 175.698 176.600 -0.082 0.000 1.050 195 K CA 1.473 57.693 56.287 -0.112 0.000 0.929 195 K CB -1.083 31.365 32.500 -0.086 0.000 0.714 195 K HN 0.301 nan 8.250 nan 0.000 0.443 196 P HA -0.112 nan 4.420 nan 0.000 0.216 196 P C 0.818 178.112 177.300 -0.009 0.000 1.150 196 P CA 1.472 64.557 63.100 -0.025 0.000 0.837 196 P CB 0.026 31.716 31.700 -0.016 0.000 0.786 197 T N -0.653 113.895 114.554 -0.009 0.000 2.737 197 T HA -0.165 4.192 4.350 0.012 0.000 0.265 197 T C 1.855 176.560 174.700 0.008 0.000 1.038 197 T CA 1.243 63.356 62.100 0.020 0.000 1.144 197 T CB -0.734 68.147 68.868 0.021 0.000 0.866 197 T HN 0.263 nan 8.240 nan 0.000 0.434 198 Q N 0.931 120.701 119.800 -0.051 0.000 2.045 198 Q HA -0.133 4.214 4.340 0.012 0.000 0.206 198 Q C 2.461 178.415 176.000 -0.077 0.000 0.991 198 Q CA 1.273 57.013 55.803 -0.105 0.000 0.851 198 Q CB -0.214 28.341 28.738 -0.306 0.000 0.911 198 Q HN 0.464 nan 8.270 nan 0.000 0.418 199 N N -0.173 118.486 118.700 -0.069 0.000 2.120 199 N HA -0.125 4.622 4.740 0.012 0.000 0.188 199 N C 1.880 177.385 175.510 -0.008 0.000 1.024 199 N CA 1.210 54.235 53.050 -0.041 0.000 0.852 199 N CB -0.154 38.311 38.487 -0.036 0.000 1.003 199 N HN 0.094 nan 8.380 nan 0.000 0.424 200 S N 0.369 116.084 115.700 0.025 0.000 2.383 200 S HA -0.029 4.448 4.470 0.012 0.000 0.227 200 S C 2.017 176.622 174.600 0.008 0.000 1.026 200 S CA 0.678 58.923 58.200 0.075 0.000 0.981 200 S CB -0.026 63.291 63.200 0.195 0.000 0.818 200 S HN 0.059 nan 8.310 nan 0.000 0.472 201 V N 2.166 122.078 119.914 -0.004 0.000 2.719 201 V HA 0.016 4.143 4.120 0.012 0.000 0.252 201 V C 2.569 178.617 176.094 -0.075 0.000 1.065 201 V CA 1.567 63.821 62.300 -0.076 0.000 1.086 201 V CB -0.750 31.057 31.823 -0.028 0.000 0.700 201 V HN 0.455 nan 8.190 nan 0.000 0.467 202 R N 0.633 121.104 120.500 -0.048 0.000 2.073 202 R HA -0.251 4.096 4.340 0.012 0.000 0.234 202 R C 2.324 178.611 176.300 -0.021 0.000 1.134 202 R CA 2.265 58.346 56.100 -0.032 0.000 0.952 202 R CB -0.158 30.129 30.300 -0.021 0.000 0.850 202 R HN 0.569 nan 8.270 nan 0.000 0.433 203 E N 0.631 120.818 120.200 -0.022 0.000 2.031 203 E HA -0.211 4.147 4.350 0.012 0.000 0.193 203 E C 1.937 178.523 176.600 -0.023 0.000 0.994 203 E CA 1.370 57.764 56.400 -0.010 0.000 0.800 203 E CB -0.419 29.282 29.700 0.002 0.000 0.752 203 E HN 0.291 nan 8.360 nan 0.000 0.447 204 L N 0.934 122.112 121.223 -0.076 0.000 2.012 204 L HA -0.145 4.203 4.340 0.012 0.000 0.210 204 L C 2.376 179.223 176.870 -0.039 0.000 1.073 204 L CA 1.842 56.621 54.840 -0.101 0.000 0.748 204 L CB -0.543 41.344 42.059 -0.286 0.000 0.891 204 L HN 0.094 nan 8.230 nan 0.000 0.431 205 R N -0.622 119.857 120.500 -0.034 0.000 2.115 205 R HA -0.200 4.147 4.340 0.012 0.000 0.239 205 R C 2.127 178.451 176.300 0.041 0.000 1.133 205 R CA 1.718 57.828 56.100 0.016 0.000 0.935 205 R CB -1.257 29.051 30.300 0.014 0.000 0.853 205 R HN 0.603 nan 8.270 nan 0.000 0.433 206 G N 0.927 109.746 108.800 0.031 0.000 2.442 206 G HA2 -0.228 3.739 3.960 0.012 0.000 0.219 206 G HA3 -0.228 3.739 3.960 0.012 0.000 0.219 206 G C 1.429 176.356 174.900 0.045 0.000 1.141 206 G CA 0.566 45.690 45.100 0.039 0.000 0.763 206 G HN 0.222 nan 8.290 nan 0.000 0.554 207 L N 0.084 121.331 121.223 0.040 0.000 2.465 207 L HA 0.227 4.574 4.340 0.012 0.000 0.224 207 L C 2.059 178.971 176.870 0.070 0.000 1.145 207 L CA 0.613 55.484 54.840 0.052 0.000 0.834 207 L CB -0.021 42.069 42.059 0.051 0.000 0.944 207 L HN 0.425 nan 8.230 nan 0.000 0.451 208 G N -0.099 108.746 108.800 0.075 0.000 2.168 208 G HA2 -0.184 3.783 3.960 0.012 0.000 0.197 208 G HA3 -0.184 3.783 3.960 0.012 0.000 0.197 208 G C -0.122 174.837 174.900 0.099 0.000 0.997 208 G CA -0.597 44.565 45.100 0.105 0.000 0.658 208 G HN 0.141 nan 8.290 nan 0.000 0.513 209 L N 1.247 122.517 121.223 0.079 0.000 2.341 209 L HA 0.746 5.093 4.340 0.012 0.000 0.278 209 L C -0.016 176.893 176.870 0.064 0.000 1.005 209 L CA -0.833 54.058 54.840 0.086 0.000 0.818 209 L CB 2.210 44.334 42.059 0.109 0.000 1.259 209 L HN 0.102 nan 8.230 nan 0.000 0.418 210 S N 4.271 120.025 115.700 0.090 0.000 2.474 210 S HA 0.502 4.979 4.470 0.012 0.000 0.321 210 S C -2.356 172.296 174.600 0.087 0.000 1.080 210 S CA -1.373 56.876 58.200 0.082 0.000 1.106 210 S CB 1.135 64.412 63.200 0.130 0.000 0.984 210 S HN 0.299 nan 8.310 nan 0.000 0.464 211 P HA 0.097 nan 4.420 nan 0.000 0.265 211 P C -0.156 177.201 177.300 0.095 0.000 1.187 211 P CA 0.078 63.222 63.100 0.075 0.000 0.766 211 P CB 0.623 32.365 31.700 0.070 0.000 0.820 212 D N 1.258 121.725 120.400 0.113 0.000 2.277 212 D HA 0.098 4.745 4.640 0.012 0.000 0.209 212 D C 0.587 176.893 176.300 0.010 0.000 0.970 212 D CA 0.933 55.022 54.000 0.148 0.000 0.874 212 D CB 0.500 41.461 40.800 0.267 0.000 0.982 212 D HN 0.284 nan 8.370 nan 0.000 0.504 213 L N 1.343 122.558 121.223 -0.014 0.000 2.408 213 L HA 0.378 4.725 4.340 0.012 0.000 0.268 213 L C -0.887 175.970 176.870 -0.023 0.000 0.986 213 L CA -0.795 53.971 54.840 -0.123 0.000 0.820 213 L CB 3.205 45.170 42.059 -0.157 0.000 1.303 213 L HN -0.325 nan 8.230 nan 0.000 0.411 214 V N 3.726 123.619 119.914 -0.036 0.000 2.384 214 V HA 0.368 4.495 4.120 0.012 0.000 0.287 214 V C -0.099 175.978 176.094 -0.028 0.000 1.020 214 V CA -0.632 61.673 62.300 0.009 0.000 0.850 214 V CB 1.928 33.766 31.823 0.026 0.000 0.987 214 V HN 0.406 nan 8.190 nan 0.000 0.436 215 V N 4.140 124.035 119.914 -0.032 0.000 2.347 215 V HA 0.314 4.441 4.120 0.012 0.000 0.280 215 V C -0.016 176.045 176.094 -0.055 0.000 1.021 215 V CA -0.425 61.845 62.300 -0.050 0.000 0.847 215 V CB 1.365 33.158 31.823 -0.051 0.000 0.990 215 V HN 0.970 nan 8.190 nan 0.000 0.444 216 C N 6.171 125.446 119.300 -0.041 0.000 2.273 216 C HA 0.521 4.988 4.460 0.012 0.000 0.328 216 C C 0.612 175.582 174.990 -0.033 0.000 1.275 216 C CA -1.125 57.873 59.018 -0.034 0.000 1.704 216 C CB 0.095 27.827 27.740 -0.013 0.000 2.326 216 C HN 0.712 nan 8.230 nan 0.000 0.517 217 R N 2.086 122.562 120.500 -0.040 0.000 2.340 217 R HA 0.548 4.895 4.340 0.012 0.000 0.300 217 R C -0.089 176.204 176.300 -0.011 0.000 1.069 217 R CA 0.183 56.264 56.100 -0.031 0.000 0.984 217 R CB 0.779 31.055 30.300 -0.040 0.000 1.003 217 R HN 1.050 nan 8.270 nan 0.000 0.459 218 C N -0.843 118.463 119.300 0.009 0.000 3.295 218 C HA 0.427 4.894 4.460 0.012 0.000 0.341 218 C C 1.653 176.671 174.990 0.046 0.000 1.418 218 C CA -0.582 58.449 59.018 0.022 0.000 1.240 218 C CB 1.517 29.273 27.740 0.026 0.000 1.562 218 C HN 0.776 nan 8.230 nan 0.000 0.457 219 S N 0.943 116.665 115.700 0.037 0.000 2.404 219 S HA 0.106 4.583 4.470 0.012 0.000 0.223 219 S C 0.330 174.959 174.600 0.049 0.000 1.040 219 S CA 0.653 58.878 58.200 0.041 0.000 0.957 219 S CB -0.651 62.559 63.200 0.017 0.000 0.826 219 S HN 0.852 nan 8.310 nan 0.000 0.491 220 N N 1.843 120.554 118.700 0.019 0.000 2.483 220 N HA 0.585 5.332 4.740 0.012 0.000 0.285 220 N C -3.187 172.312 175.510 -0.018 0.000 1.210 220 N CA -1.949 51.078 53.050 -0.038 0.000 0.931 220 N CB 0.678 39.136 38.487 -0.049 0.000 1.220 220 N HN 0.076 nan 8.380 nan 0.000 0.542 221 P HA 0.157 nan 4.420 nan 0.000 0.275 221 P C -0.686 176.613 177.300 -0.002 0.000 1.228 221 P CA -0.130 62.958 63.100 -0.021 0.000 0.786 221 P CB 0.557 32.195 31.700 -0.103 0.000 0.927 222 L N 2.575 123.814 121.223 0.026 0.000 2.380 222 L HA 0.198 4.545 4.340 0.012 0.000 0.273 222 L C 0.665 177.540 176.870 0.008 0.000 1.138 222 L CA -0.465 54.384 54.840 0.016 0.000 0.832 222 L CB -0.028 42.044 42.059 0.022 0.000 1.124 222 L HN 0.290 nan 8.230 nan 0.000 0.454 223 D N 0.949 121.352 120.400 0.005 0.000 2.378 223 D HA 0.009 4.656 4.640 0.012 0.000 0.238 223 D C 1.266 177.570 176.300 0.007 0.000 1.180 223 D CA 0.004 54.006 54.000 0.003 0.000 0.895 223 D CB 0.761 41.563 40.800 0.004 0.000 1.192 223 D HN 0.544 nan 8.370 nan 0.000 0.438 224 T N -0.062 114.495 114.554 0.004 0.000 2.720 224 T HA -0.198 4.159 4.350 0.012 0.000 0.268 224 T C 2.007 176.711 174.700 0.007 0.000 1.037 224 T CA 1.818 63.920 62.100 0.004 0.000 1.144 224 T CB -0.307 68.562 68.868 0.001 0.000 0.864 224 T HN 0.534 nan 8.240 nan 0.000 0.444 225 S N 1.369 117.074 115.700 0.009 0.000 2.383 225 S HA -0.111 4.366 4.470 0.012 0.000 0.229 225 S C 2.150 176.764 174.600 0.024 0.000 1.030 225 S CA 1.135 59.343 58.200 0.014 0.000 1.002 225 S CB -0.995 62.213 63.200 0.014 0.000 0.829 225 S HN 0.303 nan 8.310 nan 0.000 0.467 226 V N 3.490 123.418 119.914 0.025 0.000 2.515 226 V HA -0.153 3.974 4.120 0.012 0.000 0.250 226 V C 2.668 178.786 176.094 0.039 0.000 1.058 226 V CA 2.093 64.414 62.300 0.035 0.000 1.064 226 V CB -0.736 31.103 31.823 0.026 0.000 0.675 226 V HN 0.815 nan 8.190 nan 0.000 0.461 227 K N -0.147 120.268 120.400 0.026 0.000 2.314 227 K HA -0.010 4.317 4.320 0.012 0.000 0.198 227 K C 1.671 178.284 176.600 0.022 0.000 1.045 227 K CA 0.979 57.279 56.287 0.023 0.000 0.988 227 K CB -0.144 32.361 32.500 0.008 0.000 0.783 227 K HN 0.403 nan 8.250 nan 0.000 0.484 228 E N 1.414 121.625 120.200 0.017 0.000 2.204 228 E HA -0.120 4.237 4.350 0.012 0.000 0.194 228 E C 1.823 178.431 176.600 0.013 0.000 0.989 228 E CA 0.830 57.236 56.400 0.009 0.000 0.824 228 E CB 0.133 29.833 29.700 0.000 0.000 0.756 228 E HN 0.327 nan 8.360 nan 0.000 0.477 229 K N 0.893 121.321 120.400 0.046 0.000 2.062 229 K HA -0.084 4.243 4.320 0.012 0.000 0.205 229 K C 2.021 178.735 176.600 0.189 0.000 1.051 229 K CA 0.747 57.094 56.287 0.099 0.000 0.941 229 K CB 0.052 32.645 32.500 0.155 0.000 0.719 229 K HN 0.018 nan 8.250 nan 0.000 0.440 230 I N 0.673 121.334 120.570 0.152 0.000 2.163 230 I HA -0.327 3.850 4.170 0.012 0.000 0.243 230 I C 2.541 178.727 176.117 0.115 0.000 1.085 230 I CA 1.367 62.758 61.300 0.151 0.000 1.347 230 I CB -0.480 37.568 38.000 0.081 0.000 1.044 230 I HN 0.295 nan 8.210 nan 0.000 0.408 231 S N 1.282 117.017 115.700 0.060 0.000 2.368 231 S HA -0.347 4.130 4.470 0.012 0.000 0.226 231 S C 2.213 176.835 174.600 0.036 0.000 1.044 231 S CA 2.488 60.711 58.200 0.038 0.000 1.062 231 S CB -0.462 62.746 63.200 0.014 0.000 0.931 231 S HN 0.452 nan 8.310 nan 0.000 0.440 232 M N 0.217 119.802 119.600 -0.025 0.000 2.073 232 M HA -0.058 4.429 4.480 0.012 0.000 0.258 232 M C 1.731 177.963 176.300 -0.113 0.000 1.070 232 M CA 2.211 57.430 55.300 -0.135 0.000 1.103 232 M CB -0.907 31.499 32.600 -0.323 0.000 1.321 232 M HN 0.409 nan 8.290 nan 0.000 0.405 233 F N 0.379 120.347 119.950 0.030 0.000 2.118 233 F HA 0.032 4.566 4.527 0.012 0.000 0.293 233 F C 1.660 177.378 175.800 -0.137 0.000 1.102 233 F CA 0.345 58.338 58.000 -0.012 0.000 1.247 233 F CB -0.521 38.469 39.000 -0.017 0.000 1.017 233 F HN 0.255 nan 8.300 nan 0.000 0.475 234 C N -0.562 118.780 119.300 0.069 0.000 2.776 234 C HA 0.036 4.503 4.460 0.012 0.000 0.300 234 C C 0.270 175.195 174.990 -0.109 0.000 1.462 234 C CA -0.379 58.567 59.018 -0.121 0.000 2.246 234 C CB -0.601 27.135 27.740 -0.007 0.000 2.203 234 C HN 0.362 nan 8.230 nan 0.000 0.701 235 H N -0.458 118.648 119.070 0.060 0.000 2.340 235 H HA 0.531 5.094 4.556 0.012 0.000 0.233 235 H C -0.288 175.062 175.328 0.038 0.000 1.435 235 H CA -0.392 55.682 56.048 0.044 0.000 1.389 235 H CB 0.453 30.244 29.762 0.048 0.000 1.491 235 H HN 0.559 nan 8.280 nan 0.000 0.518 236 V N -1.800 118.189 119.914 0.125 0.000 3.078 236 V HA 0.452 4.579 4.120 0.012 0.000 0.311 236 V C -0.109 176.008 176.094 0.038 0.000 1.138 236 V CA -1.254 61.085 62.300 0.065 0.000 1.007 236 V CB 2.535 34.367 31.823 0.014 0.000 1.045 236 V HN 0.218 nan 8.190 nan 0.000 0.432 237 E N 2.342 122.552 120.200 0.016 0.000 2.390 237 E HA 0.263 4.620 4.350 0.012 0.000 0.261 237 E C -1.935 174.653 176.600 -0.020 0.000 1.076 237 E CA -2.025 54.376 56.400 0.002 0.000 0.905 237 E CB 1.036 30.739 29.700 0.005 0.000 0.984 237 E HN 0.547 nan 8.360 nan 0.000 0.427 238 P HA -0.168 nan 4.420 nan 0.000 0.216 238 P C 0.597 177.872 177.300 -0.041 0.000 1.150 238 P CA 1.340 64.428 63.100 -0.021 0.000 0.843 238 P CB 0.304 31.997 31.700 -0.012 0.000 0.787 239 E N -0.796 119.376 120.200 -0.047 0.000 2.265 239 E HA -0.178 4.179 4.350 0.012 0.000 0.196 239 E C 1.474 177.991 176.600 -0.139 0.000 0.996 239 E CA 1.031 57.389 56.400 -0.069 0.000 0.832 239 E CB -0.698 28.975 29.700 -0.046 0.000 0.756 239 E HN 0.351 nan 8.360 nan 0.000 0.491 240 Q N -0.410 119.289 119.800 -0.169 0.000 2.246 240 Q HA 0.153 4.500 4.340 0.012 0.000 0.202 240 Q C -0.868 175.024 176.000 -0.179 0.000 0.883 240 Q CA -0.024 55.610 55.803 -0.282 0.000 0.952 240 Q CB 1.151 29.679 28.738 -0.350 0.000 1.078 240 Q HN -0.002 nan 8.270 nan 0.000 0.493 241 V N 1.890 121.740 119.914 -0.107 0.000 2.318 241 V HA 0.267 4.394 4.120 0.012 0.000 0.271 241 V C -0.348 175.707 176.094 -0.066 0.000 1.030 241 V CA -0.579 61.682 62.300 -0.065 0.000 0.844 241 V CB 0.845 32.651 31.823 -0.027 0.000 1.015 241 V HN 0.175 nan 8.190 nan 0.000 0.460 242 I N 3.850 124.377 120.570 -0.073 0.000 2.359 242 I HA 0.303 4.480 4.170 0.012 0.000 0.294 242 I C 0.259 176.351 176.117 -0.042 0.000 0.987 242 I CA -0.357 60.901 61.300 -0.069 0.000 1.225 242 I CB 1.387 39.332 38.000 -0.092 0.000 1.366 242 I HN 0.592 nan 8.210 nan 0.000 0.466 243 C N 7.093 126.379 119.300 -0.023 0.000 2.285 243 C HA 0.574 5.041 4.460 0.012 0.000 0.335 243 C C 0.344 175.308 174.990 -0.044 0.000 1.267 243 C CA -0.206 58.814 59.018 0.003 0.000 1.762 243 C CB 0.066 27.846 27.740 0.066 0.000 2.365 243 C HN 0.546 nan 8.230 nan 0.000 0.527 244 V N 8.375 128.249 119.914 -0.066 0.000 2.250 244 V HA 0.305 4.432 4.120 0.012 0.000 0.268 244 V C 0.542 176.555 176.094 -0.134 0.000 1.043 244 V CA -0.386 61.821 62.300 -0.154 0.000 0.814 244 V CB -0.141 31.614 31.823 -0.113 0.000 1.072 244 V HN 0.963 nan 8.190 nan 0.000 0.451 245 H N 0.697 119.755 119.070 -0.019 0.000 2.505 245 H HA 0.417 4.980 4.556 0.012 0.000 0.358 245 H C -0.752 174.565 175.328 -0.018 0.000 1.304 245 H CA -1.038 55.000 56.048 -0.018 0.000 1.393 245 H CB 0.941 30.694 29.762 -0.014 0.000 1.591 245 H HN 0.317 nan 8.280 nan 0.000 0.595 246 D N 1.230 121.742 120.400 0.186 0.000 2.502 246 D HA 0.120 4.767 4.640 0.012 0.000 0.249 246 D C 0.289 176.684 176.300 0.157 0.000 1.188 246 D CA 0.288 54.353 54.000 0.108 0.000 0.890 246 D CB 0.430 41.276 40.800 0.076 0.000 1.140 246 D HN 0.476 nan 8.370 nan 0.000 0.505 247 V N -0.364 119.580 119.914 0.051 0.000 2.960 247 V HA 0.428 4.555 4.120 0.012 0.000 0.315 247 V C 1.339 177.446 176.094 0.021 0.000 1.087 247 V CA -0.867 61.461 62.300 0.046 0.000 0.982 247 V CB 1.795 33.605 31.823 -0.022 0.000 1.039 247 V HN 0.396 nan 8.190 nan 0.000 0.437 248 S N 1.056 116.773 115.700 0.029 0.000 2.419 248 S HA -0.046 4.432 4.470 0.012 0.000 0.233 248 S C 0.929 175.531 174.600 0.004 0.000 1.016 248 S CA 1.548 59.760 58.200 0.021 0.000 0.974 248 S CB -0.257 62.961 63.200 0.031 0.000 0.786 248 S HN 1.608 nan 8.310 nan 0.000 0.492 249 S N -1.219 114.476 115.700 -0.009 0.000 2.570 249 S HA 0.416 4.893 4.470 0.012 0.000 0.270 249 S C 0.765 175.296 174.600 -0.115 0.000 1.149 249 S CA -0.403 57.767 58.200 -0.050 0.000 0.837 249 S CB 0.863 64.078 63.200 0.026 0.000 1.124 249 S HN 0.369 nan 8.310 nan 0.000 0.465 250 I N 0.395 120.808 120.570 -0.262 0.000 2.567 250 I HA -0.016 4.161 4.170 0.012 0.000 0.257 250 I C 1.421 177.385 176.117 -0.255 0.000 1.184 250 I CA 1.152 62.274 61.300 -0.297 0.000 1.451 250 I CB -0.600 37.171 38.000 -0.381 0.000 1.089 250 I HN 0.712 nan 8.210 nan 0.000 0.441 251 Y N 0.964 121.258 120.300 -0.010 0.000 2.571 251 Y HA 0.061 4.618 4.550 0.011 0.000 0.294 251 Y C 2.621 178.514 175.900 -0.010 0.000 1.141 251 Y CA 0.239 58.335 58.100 -0.008 0.000 1.308 251 Y CB -0.297 38.161 38.460 -0.004 0.000 1.002 251 Y HN 0.083 nan 8.280 nan 0.000 0.551 252 R N -0.130 120.421 120.500 0.085 0.000 2.299 252 R HA -0.011 4.336 4.340 0.012 0.000 0.197 252 R C 1.568 177.868 176.300 0.001 0.000 0.971 252 R CA 0.231 56.357 56.100 0.045 0.000 1.030 252 R CB 0.081 30.398 30.300 0.027 0.000 0.932 252 R HN 0.247 nan 8.270 nan 0.000 0.477 253 V N 1.191 121.097 119.914 -0.014 0.000 2.407 253 V HA -0.077 4.050 4.120 0.012 0.000 0.245 253 V C -1.150 174.934 176.094 -0.017 0.000 1.041 253 V CA 1.402 63.675 62.300 -0.044 0.000 1.040 253 V CB -0.661 31.127 31.823 -0.057 0.000 0.671 253 V HN 0.233 nan 8.190 nan 0.000 0.455 254 P HA -0.123 nan 4.420 nan 0.000 0.218 254 P C 1.825 179.139 177.300 0.022 0.000 1.149 254 P CA 1.020 64.138 63.100 0.030 0.000 0.817 254 P CB 0.020 31.751 31.700 0.052 0.000 0.785 255 L N -1.022 120.213 121.223 0.020 0.000 2.072 255 L HA -0.049 4.298 4.340 0.012 0.000 0.205 255 L C 2.245 179.115 176.870 -0.000 0.000 1.079 255 L CA 1.513 56.362 54.840 0.016 0.000 0.752 255 L CB -1.444 40.629 42.059 0.024 0.000 0.906 255 L HN -0.109 nan 8.230 nan 0.000 0.436 256 L N -1.396 119.812 121.223 -0.025 0.000 2.042 256 L HA -0.281 4.066 4.340 0.012 0.000 0.210 256 L C 2.462 179.308 176.870 -0.039 0.000 1.076 256 L CA 1.343 56.150 54.840 -0.054 0.000 0.749 256 L CB -0.378 41.598 42.059 -0.138 0.000 0.893 256 L HN 0.311 nan 8.230 nan 0.000 0.432 257 L N -0.837 120.369 121.223 -0.029 0.000 2.027 257 L HA -0.204 4.143 4.340 0.012 0.000 0.206 257 L C 2.515 179.376 176.870 -0.015 0.000 1.074 257 L CA 1.307 56.134 54.840 -0.023 0.000 0.745 257 L CB -0.507 41.553 42.059 0.003 0.000 0.898 257 L HN 0.296 nan 8.230 nan 0.000 0.433 258 E N 0.206 120.407 120.200 0.003 0.000 2.077 258 E HA -0.252 4.105 4.350 0.012 0.000 0.193 258 E C 2.018 178.618 176.600 0.001 0.000 0.989 258 E CA 1.255 57.660 56.400 0.009 0.000 0.800 258 E CB -0.094 29.617 29.700 0.019 0.000 0.746 258 E HN 0.506 nan 8.360 nan 0.000 0.452 259 E N 0.667 120.868 120.200 0.001 0.000 2.160 259 E HA -0.203 4.154 4.350 0.012 0.000 0.195 259 E C 1.192 177.789 176.600 -0.004 0.000 0.991 259 E CA 0.908 57.310 56.400 0.004 0.000 0.810 259 E CB 0.015 29.723 29.700 0.012 0.000 0.742 259 E HN 0.280 nan 8.360 nan 0.000 0.466 260 Q N -0.717 119.072 119.800 -0.017 0.000 2.211 260 Q HA 0.192 4.539 4.340 0.012 0.000 0.231 260 Q C 0.385 176.355 176.000 -0.050 0.000 0.865 260 Q CA 0.232 56.016 55.803 -0.032 0.000 0.997 260 Q CB 1.099 29.812 28.738 -0.041 0.000 1.101 260 Q HN 0.332 nan 8.270 nan 0.000 0.468 261 G N 0.030 108.809 108.800 -0.034 0.000 2.160 261 G HA2 -0.285 3.682 3.960 0.012 0.000 0.251 261 G HA3 -0.285 3.682 3.960 0.012 0.000 0.251 261 G C 0.735 175.604 174.900 -0.051 0.000 1.008 261 G CA 0.358 45.440 45.100 -0.029 0.000 0.724 261 G HN 0.352 nan 8.290 nan 0.000 0.514 262 V N -0.237 119.624 119.914 -0.088 0.000 2.358 262 V HA -0.184 3.943 4.120 0.012 0.000 0.246 262 V C 2.877 178.876 176.094 -0.157 0.000 1.047 262 V CA 2.140 64.320 62.300 -0.200 0.000 1.035 262 V CB -0.325 31.383 31.823 -0.192 0.000 0.658 262 V HN 0.375 nan 8.190 nan 0.000 0.452 263 V N 0.549 120.465 119.914 0.003 0.000 2.332 263 V HA -0.290 3.837 4.120 0.012 0.000 0.248 263 V C 2.252 178.390 176.094 0.074 0.000 1.055 263 V CA 2.362 64.722 62.300 0.099 0.000 1.038 263 V CB -0.714 31.160 31.823 0.084 0.000 0.651 263 V HN 0.639 nan 8.190 nan 0.000 0.450 264 D N -1.324 119.097 120.400 0.036 0.000 2.178 264 D HA -0.192 4.455 4.640 0.012 0.000 0.202 264 D C 1.956 178.272 176.300 0.026 0.000 0.974 264 D CA 1.370 55.389 54.000 0.032 0.000 0.841 264 D CB -0.240 40.576 40.800 0.026 0.000 0.953 264 D HN 0.567 nan 8.370 nan 0.000 0.478 265 Y N 1.220 121.442 120.300 -0.129 0.000 2.097 265 Y HA -0.270 4.287 4.550 0.012 0.000 0.282 265 Y C 2.066 177.912 175.900 -0.089 0.000 1.152 265 Y CA 1.437 59.432 58.100 -0.175 0.000 1.136 265 Y CB -0.554 37.695 38.460 -0.352 0.000 0.975 265 Y HN -0.205 nan 8.280 nan 0.000 0.498 266 F N -0.269 119.653 119.950 -0.046 0.000 2.216 266 F HA -0.191 4.343 4.527 0.012 0.000 0.300 266 F C 2.176 177.887 175.800 -0.148 0.000 1.085 266 F CA 1.126 59.048 58.000 -0.131 0.000 1.326 266 F CB -1.146 37.846 39.000 -0.013 0.000 1.027 266 F HN 0.081 nan 8.300 nan 0.000 0.497 267 L N -0.645 120.623 121.223 0.074 0.000 2.005 267 L HA -0.180 4.167 4.340 0.012 0.000 0.207 267 L C 2.644 179.492 176.870 -0.035 0.000 1.072 267 L CA 1.436 56.288 54.840 0.021 0.000 0.744 267 L CB -0.657 41.416 42.059 0.024 0.000 0.895 267 L HN -0.057 nan 8.230 nan 0.000 0.433 268 R N -0.028 120.427 120.500 -0.075 0.000 2.083 268 R HA -0.232 4.115 4.340 0.012 0.000 0.237 268 R C 2.501 178.708 176.300 -0.155 0.000 1.137 268 R CA 1.730 57.770 56.100 -0.101 0.000 0.951 268 R CB -0.111 30.127 30.300 -0.102 0.000 0.851 268 R HN 0.062 nan 8.270 nan 0.000 0.434 269 R N 0.295 120.615 120.500 -0.300 0.000 2.073 269 R HA 0.047 4.394 4.340 0.012 0.000 0.229 269 R C 1.384 177.611 176.300 -0.122 0.000 1.120 269 R CA 1.486 57.392 56.100 -0.324 0.000 0.967 269 R CB -0.126 29.733 30.300 -0.735 0.000 0.862 269 R HN 0.312 nan 8.270 nan 0.000 0.436 270 L N 0.492 121.673 121.223 -0.069 0.000 2.818 270 L HA 0.223 4.570 4.340 0.012 0.000 0.243 270 L C -0.211 176.645 176.870 -0.024 0.000 1.185 270 L CA -0.097 54.726 54.840 -0.027 0.000 0.988 270 L CB 0.018 42.060 42.059 -0.029 0.000 1.292 270 L HN 0.205 nan 8.230 nan 0.000 0.519 271 D N 1.520 121.903 120.400 -0.029 0.000 2.704 271 D HA -0.216 4.431 4.640 0.012 0.000 0.232 271 D C -0.260 176.031 176.300 -0.015 0.000 1.183 271 D CA 0.738 54.727 54.000 -0.019 0.000 0.647 271 D CB -0.660 40.133 40.800 -0.012 0.000 1.013 271 D HN 0.199 nan 8.370 nan 0.000 0.415 272 L N 0.401 121.617 121.223 -0.012 0.000 2.399 272 L HA 0.583 4.930 4.340 0.012 0.000 0.266 272 L C -1.076 175.792 176.870 -0.003 0.000 1.114 272 L CA -1.646 53.187 54.840 -0.011 0.000 0.804 272 L CB 0.624 42.678 42.059 -0.008 0.000 1.146 272 L HN 0.087 nan 8.230 nan 0.000 0.451 273 P HA 0.000 nan 4.420 nan 0.000 0.216 273 P CA 0.000 63.101 63.100 0.001 0.000 0.800 273 P CB 0.000 31.700 31.700 0.000 0.000 0.726