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 2vz2_1_B DATA FIRST_RESID 3 DATA SEQUENCE NKCDVVVVGG GISGMAAAKL LHDSGLNVVV LEARDRVGGR TYTLRNQKVK DATA SEQUENCE YVDLGGSYVG PTQNRILRLA KELGLETYKV NEVERLIHHV KGKSYPFRGP DATA SEQUENCE FPPVWNPITY LDHNNFWRTM DDMGREIPSD APWKAPLAEE WDNMTMKELL DATA SEQUENCE DKLCWTESAK QLATLFVNLC VTAETHEVSA LWFLWYVKQC GGTTRIISTT DATA SEQUENCE NGGQERKFVG GSGQVSERIM DLLGDRVKLE RPVIYIDQTR ENVLVETLNH DATA SEQUENCE EMYEAKYVIS AIPPTLGMKI HFNPPLPMMR NQMITRVPLG SVIKCIVYYK DATA SEQUENCE EPFWRKKDYC GTMIIDGEEA PVAYTLDDTK PEGNYAAIMG FILAHKARKL DATA SEQUENCE ARLTKEERLK KLCELYAKVL GSLEALEPVH YEEKNWCEEQ YSGGCYTTYF DATA SEQUENCE PPGILTQYGR VLRQPVDRIY FAGTETATHW SGYMEGAVEA GERAAREILH DATA SEQUENCE AMGKIPEDEI WQSEPESVDV PAQPITTTFL ERHLPSVPGL LRLI 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 3 N HA 0.000 nan 4.740 nan 0.000 0.220 3 N C 0.000 175.506 175.510 -0.006 0.000 1.280 3 N CA 0.000 52.947 53.050 -0.172 0.000 0.885 3 N CB 0.000 38.397 38.487 -0.150 0.000 1.341 4 K N 1.807 122.213 120.400 0.010 0.000 2.211 4 K HA 0.482 4.802 4.320 -0.000 0.000 0.275 4 K C -0.011 176.622 176.600 0.055 0.000 1.024 4 K CA -0.338 55.968 56.287 0.031 0.000 0.887 4 K CB 1.636 34.143 32.500 0.012 0.000 1.084 4 K HN 0.544 nan 8.250 nan 0.000 0.463 5 C N -0.704 118.635 119.300 0.066 0.000 3.336 5 C HA 0.406 4.866 4.460 -0.000 0.000 0.339 5 C C 0.896 175.923 174.990 0.062 0.000 1.468 5 C CA -0.811 58.248 59.018 0.068 0.000 1.287 5 C CB 0.989 28.783 27.740 0.089 0.000 1.682 5 C HN 0.768 nan 8.230 nan 0.000 0.451 6 D N 0.260 120.700 120.400 0.067 0.000 2.120 6 D HA 0.109 4.749 4.640 -0.000 0.000 0.202 6 D C 0.307 176.677 176.300 0.116 0.000 0.972 6 D CA 1.715 55.766 54.000 0.085 0.000 0.837 6 D CB 0.251 41.096 40.800 0.076 0.000 0.989 6 D HN 0.475 nan 8.370 nan 0.000 0.469 7 V N 1.613 121.581 119.914 0.091 0.000 2.577 7 V HA 0.232 4.352 4.120 -0.000 0.000 0.303 7 V C -0.117 176.009 176.094 0.054 0.000 1.042 7 V CA -0.816 61.537 62.300 0.088 0.000 0.872 7 V CB 2.702 34.560 31.823 0.058 0.000 0.998 7 V HN -0.235 nan 8.190 nan 0.000 0.423 8 V N 5.521 125.462 119.914 0.046 0.000 2.432 8 V HA 0.376 4.496 4.120 -0.000 0.000 0.275 8 V C 0.008 176.094 176.094 -0.013 0.000 1.043 8 V CA -0.344 61.955 62.300 -0.002 0.000 0.925 8 V CB 1.762 33.578 31.823 -0.012 0.000 0.985 8 V HN 0.634 nan 8.190 nan 0.000 0.466 9 V N 6.249 126.141 119.914 -0.037 0.000 2.370 9 V HA 0.341 4.461 4.120 -0.000 0.000 0.279 9 V C -0.013 176.051 176.094 -0.049 0.000 1.029 9 V CA -0.567 61.715 62.300 -0.030 0.000 0.870 9 V CB 1.822 33.631 31.823 -0.023 0.000 0.984 9 V HN 0.597 nan 8.190 nan 0.000 0.451 10 V N 4.490 124.387 119.914 -0.027 0.000 2.348 10 V HA 0.828 4.948 4.120 -0.000 0.000 0.270 10 V C 0.631 176.726 176.094 0.001 0.000 1.037 10 V CA 0.369 62.653 62.300 -0.026 0.000 0.872 10 V CB 0.491 32.314 31.823 0.000 0.000 1.002 10 V HN 1.258 nan 8.190 nan 0.000 0.464 11 G N 3.550 112.337 108.800 -0.021 0.000 3.363 11 G HA2 0.184 4.144 3.960 -0.000 0.000 0.685 11 G HA3 0.184 4.144 3.960 -0.000 0.000 0.685 11 G C 0.117 175.014 174.900 -0.004 0.000 1.199 11 G CA -0.493 44.608 45.100 0.001 0.000 0.946 11 G HN 1.146 nan 8.290 nan 0.000 0.558 12 G N 0.687 109.481 108.800 -0.010 0.000 3.702 12 G HA2 0.642 4.602 3.960 -0.000 0.000 0.288 12 G HA3 0.642 4.602 3.960 -0.000 0.000 0.288 12 G C 0.971 175.883 174.900 0.020 0.000 1.193 12 G CA 0.962 46.058 45.100 -0.006 0.000 0.952 12 G HN 1.282 nan 8.290 nan 0.000 0.544 13 G N -0.070 108.754 108.800 0.040 0.000 2.553 13 G HA2 0.311 4.271 3.960 -0.000 0.000 0.278 13 G HA3 0.311 4.271 3.960 -0.000 0.000 0.278 13 G C 1.206 176.132 174.900 0.043 0.000 1.349 13 G CA -0.712 44.423 45.100 0.058 0.000 1.037 13 G HN 0.127 nan 8.290 nan 0.000 0.508 14 I N -0.552 120.047 120.570 0.048 0.000 2.208 14 I HA -0.223 3.947 4.170 -0.000 0.000 0.245 14 I C 3.027 179.166 176.117 0.037 0.000 1.097 14 I CA 1.675 62.995 61.300 0.034 0.000 1.363 14 I CB -0.162 37.861 38.000 0.039 0.000 1.051 14 I HN 0.486 nan 8.210 nan 0.000 0.413 15 S N 0.602 116.336 115.700 0.057 0.000 2.356 15 S HA -0.136 4.334 4.470 -0.000 0.000 0.223 15 S C 2.105 176.730 174.600 0.042 0.000 1.032 15 S CA 1.674 59.911 58.200 0.061 0.000 1.005 15 S CB -0.612 62.643 63.200 0.092 0.000 0.867 15 S HN 0.574 nan 8.310 nan 0.000 0.449 16 G N 1.478 110.301 108.800 0.039 0.000 2.418 16 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.217 16 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.217 16 G C 1.449 176.351 174.900 0.003 0.000 1.158 16 G CA 1.007 46.119 45.100 0.020 0.000 0.771 16 G HN 0.396 nan 8.290 nan 0.000 0.545 17 M N 1.271 120.872 119.600 0.001 0.000 2.117 17 M HA 0.081 4.561 4.480 -0.000 0.000 0.262 17 M C 3.001 179.294 176.300 -0.013 0.000 1.065 17 M CA 1.184 56.475 55.300 -0.014 0.000 1.114 17 M CB -1.409 31.180 32.600 -0.017 0.000 1.361 17 M HN 0.310 nan 8.290 nan 0.000 0.408 18 A N 0.258 123.076 122.820 -0.004 0.000 1.902 18 A HA -0.009 4.311 4.320 -0.000 0.000 0.217 18 A C 2.468 180.049 177.584 -0.005 0.000 1.181 18 A CA 2.260 54.295 52.037 -0.004 0.000 0.623 18 A CB -0.994 18.009 19.000 0.005 0.000 0.818 18 A HN 0.470 nan 8.150 nan 0.000 0.443 19 A N -0.080 122.737 122.820 -0.005 0.000 1.865 19 A HA 0.114 4.434 4.320 -0.000 0.000 0.217 19 A C 2.547 180.125 177.584 -0.010 0.000 1.191 19 A CA 2.378 54.407 52.037 -0.014 0.000 0.623 19 A CB -1.152 17.840 19.000 -0.012 0.000 0.826 19 A HN 1.106 nan 8.150 nan 0.000 0.444 20 A N -0.428 122.388 122.820 -0.006 0.000 1.877 20 A HA -0.182 4.138 4.320 -0.000 0.000 0.216 20 A C 2.162 179.762 177.584 0.027 0.000 1.186 20 A CA 2.054 54.092 52.037 0.002 0.000 0.620 20 A CB -0.503 18.487 19.000 -0.017 0.000 0.822 20 A HN 0.557 nan 8.150 nan 0.000 0.443 21 K N -0.483 119.924 120.400 0.010 0.000 2.032 21 K HA -0.132 4.188 4.320 -0.000 0.000 0.209 21 K C 2.015 178.651 176.600 0.060 0.000 1.048 21 K CA 1.565 57.872 56.287 0.033 0.000 0.927 21 K CB -0.324 32.177 32.500 0.002 0.000 0.712 21 K HN 0.476 nan 8.250 nan 0.000 0.441 22 L N 1.165 122.401 121.223 0.023 0.000 1.989 22 L HA -0.219 4.121 4.340 -0.000 0.000 0.211 22 L C 2.253 179.128 176.870 0.008 0.000 1.071 22 L CA 1.318 56.163 54.840 0.007 0.000 0.749 22 L CB -0.215 41.833 42.059 -0.018 0.000 0.890 22 L HN 0.247 nan 8.230 nan 0.000 0.431 23 L N -1.033 120.195 121.223 0.008 0.000 2.046 23 L HA -0.287 4.053 4.340 -0.000 0.000 0.208 23 L C 2.603 179.490 176.870 0.029 0.000 1.077 23 L CA 1.581 56.422 54.840 0.001 0.000 0.747 23 L CB -0.837 41.219 42.059 -0.006 0.000 0.896 23 L HN 0.430 nan 8.230 nan 0.000 0.432 24 H N 0.261 119.317 119.070 -0.022 0.000 2.321 24 H HA -0.195 4.361 4.556 -0.000 0.000 0.300 24 H C 1.815 177.135 175.328 -0.015 0.000 1.087 24 H CA 2.022 58.061 56.048 -0.015 0.000 1.319 24 H CB 0.024 29.778 29.762 -0.013 0.000 1.379 24 H HN 0.228 nan 8.280 nan 0.000 0.501 25 D N -0.709 119.692 120.400 0.002 0.000 2.263 25 D HA -0.126 4.514 4.640 -0.000 0.000 0.208 25 D C 2.130 178.381 176.300 -0.081 0.000 0.971 25 D CA 1.319 55.290 54.000 -0.049 0.000 0.867 25 D CB -0.358 40.454 40.800 0.020 0.000 0.929 25 D HN 0.544 nan 8.370 nan 0.000 0.492 26 S N -1.039 114.621 115.700 -0.068 0.000 2.562 26 S HA 0.244 4.714 4.470 -0.000 0.000 0.221 26 S C 1.631 176.184 174.600 -0.077 0.000 0.975 26 S CA 0.736 58.899 58.200 -0.061 0.000 0.918 26 S CB 0.447 63.619 63.200 -0.047 0.000 0.772 26 S HN 0.275 nan 8.310 nan 0.000 0.531 27 G N 0.458 109.185 108.800 -0.121 0.000 2.163 27 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.213 27 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.213 27 G C -0.158 174.691 174.900 -0.085 0.000 0.991 27 G CA -0.024 45.004 45.100 -0.120 0.000 0.653 27 G HN 0.494 nan 8.290 nan 0.000 0.518 28 L N 0.618 121.803 121.223 -0.064 0.000 2.379 28 L HA 0.454 4.794 4.340 -0.000 0.000 0.269 28 L C 0.048 176.927 176.870 0.015 0.000 1.084 28 L CA -1.108 53.723 54.840 -0.016 0.000 0.802 28 L CB 0.708 42.766 42.059 -0.002 0.000 1.175 28 L HN -0.006 nan 8.230 nan 0.000 0.448 29 N N 2.186 120.908 118.700 0.037 0.000 2.406 29 N HA 0.263 5.003 4.740 -0.000 0.000 0.251 29 N C -0.647 174.908 175.510 0.075 0.000 1.069 29 N CA -0.081 53.008 53.050 0.066 0.000 0.947 29 N CB 1.520 40.040 38.487 0.055 0.000 1.111 29 N HN 0.368 nan 8.380 nan 0.000 0.497 30 V N 0.119 120.088 119.914 0.093 0.000 2.715 30 V HA 0.717 4.837 4.120 -0.000 0.000 0.310 30 V C -0.088 176.033 176.094 0.046 0.000 1.054 30 V CA -0.733 61.606 62.300 0.065 0.000 0.928 30 V CB 1.973 33.831 31.823 0.060 0.000 1.007 30 V HN 0.148 nan 8.190 nan 0.000 0.437 31 V N 4.013 123.938 119.914 0.020 0.000 2.656 31 V HA 0.556 4.676 4.120 -0.000 0.000 0.307 31 V C -0.336 175.714 176.094 -0.074 0.000 1.051 31 V CA -0.517 61.771 62.300 -0.020 0.000 0.893 31 V CB 2.158 33.979 31.823 -0.004 0.000 0.999 31 V HN 0.851 nan 8.190 nan 0.000 0.426 32 V N 6.159 126.018 119.914 -0.092 0.000 2.370 32 V HA 0.462 4.582 4.120 -0.000 0.000 0.283 32 V C -0.233 175.766 176.094 -0.158 0.000 1.023 32 V CA -0.473 61.765 62.300 -0.103 0.000 0.857 32 V CB 1.523 33.304 31.823 -0.070 0.000 0.985 32 V HN 0.608 nan 8.190 nan 0.000 0.443 33 L N 4.541 125.652 121.223 -0.187 0.000 2.262 33 L HA 0.583 4.923 4.340 -0.000 0.000 0.288 33 L C -0.151 176.630 176.870 -0.148 0.000 1.035 33 L CA -0.307 54.400 54.840 -0.220 0.000 0.820 33 L CB 1.377 43.259 42.059 -0.295 0.000 1.204 33 L HN 0.621 nan 8.230 nan 0.000 0.424 34 E N 2.332 122.450 120.200 -0.137 0.000 2.171 34 E HA 0.495 4.845 4.350 -0.000 0.000 0.271 34 E C 0.270 176.760 176.600 -0.184 0.000 0.916 34 E CA -0.322 56.000 56.400 -0.129 0.000 0.774 34 E CB 2.078 31.725 29.700 -0.088 0.000 1.128 34 E HN 0.534 nan 8.360 nan 0.000 0.403 35 A N 5.368 128.017 122.820 -0.285 0.000 1.929 35 A HA 0.023 4.343 4.320 -0.000 0.000 0.216 35 A C 1.074 178.418 177.584 -0.401 0.000 1.176 35 A CA 0.877 52.611 52.037 -0.505 0.000 0.628 35 A CB -0.140 18.179 19.000 -1.136 0.000 0.816 35 A HN 0.589 nan 8.150 nan 0.000 0.444 36 R N 0.031 120.372 120.500 -0.265 0.000 2.580 36 R HA 0.230 4.570 4.340 -0.000 0.000 0.267 36 R C 0.156 176.407 176.300 -0.082 0.000 1.125 36 R CA 0.157 56.179 56.100 -0.130 0.000 1.188 36 R CB 0.167 30.430 30.300 -0.062 0.000 1.155 36 R HN 0.452 nan 8.270 nan 0.000 0.586 37 D N 0.320 120.690 120.400 -0.050 0.000 2.324 37 D HA -0.043 4.597 4.640 -0.000 0.000 0.235 37 D C -0.057 176.233 176.300 -0.016 0.000 1.095 37 D CA 0.194 54.176 54.000 -0.030 0.000 0.871 37 D CB -0.056 40.733 40.800 -0.019 0.000 0.906 37 D HN 0.416 nan 8.370 nan 0.000 0.522 38 R N -1.066 119.424 120.500 -0.016 0.000 2.739 38 R HA 0.590 4.930 4.340 -0.000 0.000 0.271 38 R C -0.664 175.647 176.300 0.017 0.000 1.010 38 R CA -1.134 54.975 56.100 0.014 0.000 0.897 38 R CB 1.318 31.641 30.300 0.039 0.000 1.236 38 R HN -0.102 nan 8.270 nan 0.000 0.466 39 V N -1.361 118.574 119.914 0.035 0.000 3.134 39 V HA 0.859 4.979 4.120 -0.000 0.000 0.313 39 V C 0.914 177.059 176.094 0.084 0.000 1.069 39 V CA 0.413 62.736 62.300 0.038 0.000 1.048 39 V CB 0.823 32.656 31.823 0.017 0.000 1.119 39 V HN 1.182 nan 8.190 nan 0.000 0.461 40 G N -0.590 108.261 108.800 0.085 0.000 2.391 40 G HA2 0.163 4.123 3.960 -0.000 0.000 0.204 40 G HA3 0.163 4.123 3.960 -0.000 0.000 0.204 40 G C 1.513 176.502 174.900 0.148 0.000 1.012 40 G CA 0.714 45.887 45.100 0.122 0.000 0.651 40 G HN 2.533 nan 8.290 nan 0.000 0.494 41 G N 0.691 109.588 108.800 0.162 0.000 2.646 41 G HA2 -0.426 3.534 3.960 -0.000 0.000 0.324 41 G HA3 -0.426 3.534 3.960 -0.000 0.000 0.324 41 G C 1.005 176.077 174.900 0.287 0.000 1.195 41 G CA 1.567 46.784 45.100 0.195 0.000 0.976 41 G HN 1.160 nan 8.290 nan 0.000 0.546 42 R N 1.812 122.382 120.500 0.116 0.000 2.313 42 R HA 0.228 4.568 4.340 -0.000 0.000 0.199 42 R C 1.005 177.197 176.300 -0.181 0.000 0.958 42 R CA 1.021 56.996 56.100 -0.207 0.000 1.047 42 R CB -0.093 30.053 30.300 -0.256 0.000 0.955 42 R HN 0.696 nan 8.270 nan 0.000 0.481 43 T N -2.323 112.296 114.554 0.108 0.000 2.824 43 T HA 0.369 4.719 4.350 -0.000 0.000 0.280 43 T C -0.980 173.964 174.700 0.407 0.000 0.995 43 T CA -0.650 61.566 62.100 0.194 0.000 1.009 43 T CB 1.553 70.495 68.868 0.123 0.000 0.955 43 T HN 0.103 nan 8.240 nan 0.000 0.452 44 Y N 1.453 121.923 120.300 0.283 0.000 2.358 44 Y HA 0.453 5.003 4.550 -0.000 0.000 0.324 44 Y C -1.168 174.847 175.900 0.192 0.000 1.123 44 Y CA -0.864 57.387 58.100 0.251 0.000 1.067 44 Y CB 1.689 40.342 38.460 0.321 0.000 1.230 44 Y HN 0.869 nan 8.280 nan 0.000 0.429 45 T N 7.855 122.233 114.554 -0.293 0.000 2.770 45 T HA 0.400 4.750 4.350 -0.000 0.000 0.297 45 T C -0.757 173.591 174.700 -0.585 0.000 0.997 45 T CA -0.395 61.513 62.100 -0.320 0.000 0.949 45 T CB 0.562 69.370 68.868 -0.099 0.000 0.941 45 T HN 0.588 nan 8.240 nan 0.000 0.457 46 L N 4.260 125.147 121.223 -0.559 0.000 2.326 46 L HA 0.636 4.976 4.340 -0.000 0.000 0.278 46 L C -0.264 176.526 176.870 -0.133 0.000 1.092 46 L CA -0.119 54.496 54.840 -0.374 0.000 0.810 46 L CB 0.513 42.435 42.059 -0.229 0.000 1.153 46 L HN 0.443 nan 8.230 nan 0.000 0.439 47 R N 3.374 123.827 120.500 -0.080 0.000 2.480 47 R HA 0.612 4.952 4.340 -0.000 0.000 0.306 47 R C -1.220 175.052 176.300 -0.047 0.000 0.958 47 R CA -0.589 55.485 56.100 -0.044 0.000 0.861 47 R CB 1.324 31.612 30.300 -0.020 0.000 1.171 47 R HN 0.876 nan 8.270 nan 0.000 0.445 48 N N -0.513 118.138 118.700 -0.082 0.000 2.708 48 N HA 0.079 4.819 4.740 -0.000 0.000 0.257 48 N C -0.112 175.321 175.510 -0.128 0.000 1.373 48 N CA -1.065 51.933 53.050 -0.086 0.000 0.843 48 N CB 0.838 39.278 38.487 -0.078 0.000 1.503 48 N HN 0.367 nan 8.380 nan 0.000 0.504 49 Q N -0.306 119.436 119.800 -0.096 0.000 2.291 49 Q HA 0.095 4.435 4.340 -0.000 0.000 0.205 49 Q C 0.796 176.752 176.000 -0.074 0.000 0.970 49 Q CA 1.145 56.909 55.803 -0.065 0.000 0.876 49 Q CB 0.048 28.770 28.738 -0.026 0.000 0.935 49 Q HN 0.457 nan 8.270 nan 0.000 0.455 50 K N 0.552 120.816 120.400 -0.227 0.000 2.097 50 K HA -0.032 4.288 4.320 -0.000 0.000 0.205 50 K C 2.039 178.421 176.600 -0.364 0.000 1.050 50 K CA 1.665 57.718 56.287 -0.390 0.000 0.938 50 K CB -0.121 31.813 32.500 -0.944 0.000 0.718 50 K HN 0.424 nan 8.250 nan 0.000 0.442 51 V N -2.598 117.024 119.914 -0.486 0.000 3.621 51 V HA 0.218 4.338 4.120 -0.000 0.000 0.263 51 V C 1.499 177.094 176.094 -0.831 0.000 1.272 51 V CA 0.816 62.764 62.300 -0.588 0.000 1.080 51 V CB 0.149 31.687 31.823 -0.476 0.000 0.816 51 V HN 0.322 nan 8.190 nan 0.000 0.451 52 K N 0.524 120.530 120.400 -0.656 0.000 10.883 52 K HA -0.307 4.013 4.320 -0.000 0.000 0.526 52 K C 0.143 176.615 176.600 -0.213 0.000 0.382 52 K CA 2.470 58.451 56.287 -0.510 0.000 1.943 52 K CB -1.479 30.532 32.500 -0.815 0.000 0.766 52 K HN 0.958 nan 8.250 nan 0.000 1.214 53 Y N -1.805 118.329 120.300 -0.276 0.000 2.571 53 Y HA 0.730 5.280 4.550 -0.000 0.000 0.341 53 Y C -1.255 174.592 175.900 -0.088 0.000 1.076 53 Y CA -0.713 57.294 58.100 -0.155 0.000 1.029 53 Y CB 2.064 40.456 38.460 -0.112 0.000 1.308 53 Y HN 0.024 nan 8.280 nan 0.000 0.461 54 V N 2.493 122.461 119.914 0.090 0.000 2.817 54 V HA 0.374 4.494 4.120 -0.000 0.000 0.303 54 V C -1.595 174.551 176.094 0.086 0.000 1.151 54 V CA -0.627 61.727 62.300 0.092 0.000 0.929 54 V CB 1.925 33.819 31.823 0.119 0.000 1.030 54 V HN 0.923 nan 8.190 nan 0.000 0.427 55 D N 5.647 126.113 120.400 0.111 0.000 2.343 55 D HA 0.304 4.944 4.640 -0.000 0.000 0.255 55 D C 0.787 177.172 176.300 0.142 0.000 1.187 55 D CA 0.241 54.297 54.000 0.093 0.000 0.875 55 D CB 1.862 42.692 40.800 0.050 0.000 1.136 55 D HN 0.524 nan 8.370 nan 0.000 0.469 56 L N 1.397 122.759 121.223 0.232 0.000 2.616 56 L HA 0.248 4.588 4.340 -0.000 0.000 0.229 56 L C 1.473 178.767 176.870 0.707 0.000 1.110 56 L CA -0.018 55.058 54.840 0.394 0.000 0.884 56 L CB 0.439 42.721 42.059 0.372 0.000 1.115 56 L HN 0.347 nan 8.230 nan 0.000 0.481 57 G N -0.706 108.434 108.800 0.567 0.000 3.286 57 G HA2 0.416 4.376 3.960 -0.000 0.000 0.166 57 G HA3 0.416 4.376 3.960 -0.000 0.000 0.166 57 G C -0.169 174.778 174.900 0.077 0.000 1.155 57 G CA -0.046 45.215 45.100 0.268 0.000 0.871 57 G HN 0.055 nan 8.290 nan 0.000 0.637 58 G N -0.502 108.266 108.800 -0.053 0.000 2.265 58 G HA2 0.367 4.327 3.960 -0.000 0.000 0.240 58 G HA3 0.367 4.327 3.960 -0.000 0.000 0.240 58 G C 0.516 175.408 174.900 -0.014 0.000 1.270 58 G CA 0.958 46.030 45.100 -0.047 0.000 0.901 58 G HN 0.825 nan 8.290 nan 0.000 0.507 59 S N 1.523 117.165 115.700 -0.097 0.000 3.330 59 S HA 0.192 4.662 4.470 -0.000 0.000 0.259 59 S C 0.125 174.493 174.600 -0.386 0.000 1.095 59 S CA -0.316 57.724 58.200 -0.267 0.000 0.841 59 S CB 0.015 62.904 63.200 -0.518 0.000 0.890 59 S HN 0.488 nan 8.310 nan 0.000 0.446 60 Y N 2.825 123.088 120.300 -0.062 0.000 2.309 60 Y HA 0.527 5.077 4.550 -0.000 0.000 0.327 60 Y C 0.275 176.057 175.900 -0.197 0.000 1.172 60 Y CA -0.352 57.666 58.100 -0.136 0.000 1.280 60 Y CB 1.143 39.568 38.460 -0.058 0.000 1.234 60 Y HN 0.127 nan 8.280 nan 0.000 0.512 61 V N -0.313 119.495 119.914 -0.177 0.000 3.078 61 V HA 1.096 5.216 4.120 -0.000 0.000 0.311 61 V C -0.337 175.584 176.094 -0.288 0.000 1.138 61 V CA -0.547 61.574 62.300 -0.299 0.000 1.007 61 V CB 1.686 33.255 31.823 -0.425 0.000 1.045 61 V HN 0.943 nan 8.190 nan 0.000 0.432 62 G N 0.518 109.106 108.800 -0.354 0.000 2.663 62 G HA2 0.756 4.716 3.960 -0.000 0.000 0.299 62 G HA3 0.756 4.716 3.960 -0.000 0.000 0.299 62 G C -3.419 171.332 174.900 -0.248 0.000 1.372 62 G CA -1.214 43.728 45.100 -0.264 0.000 0.781 62 G HN 0.719 nan 8.290 nan 0.000 0.491 63 P HA 0.147 nan 4.420 nan 0.000 0.267 63 P C 0.711 177.997 177.300 -0.023 0.000 1.200 63 P CA 1.841 64.901 63.100 -0.065 0.000 0.772 63 P CB 1.002 32.691 31.700 -0.017 0.000 0.855 64 T N -1.705 112.864 114.554 0.026 0.000 6.424 64 T HA -0.242 4.108 4.350 -0.000 0.000 0.279 64 T C 0.303 175.015 174.700 0.021 0.000 2.176 64 T CA 0.899 63.092 62.100 0.156 0.000 3.628 64 T CB -2.699 66.405 68.868 0.392 0.000 1.165 64 T HN 0.582 nan 8.240 nan 0.000 1.080 65 Q N 1.368 120.999 119.800 -0.282 0.000 3.207 65 Q HA 0.367 4.707 4.340 -0.000 0.000 0.335 65 Q C 0.889 176.782 176.000 -0.178 0.000 1.374 65 Q CA -0.461 55.078 55.803 -0.440 0.000 1.023 65 Q CB 0.159 28.463 28.738 -0.723 0.000 1.576 65 Q HN 0.491 nan 8.270 nan 0.000 0.515 66 N N 0.786 119.451 118.700 -0.059 0.000 2.331 66 N HA -0.069 4.670 4.740 -0.000 0.000 0.180 66 N C 1.246 176.761 175.510 0.010 0.000 1.019 66 N CA 0.845 53.891 53.050 -0.006 0.000 0.881 66 N CB 0.267 38.775 38.487 0.036 0.000 0.972 66 N HN 0.371 nan 8.380 nan 0.000 0.435 67 R N 0.361 120.869 120.500 0.013 0.000 2.062 67 R HA 0.043 4.383 4.340 -0.000 0.000 0.229 67 R C 2.013 178.326 176.300 0.022 0.000 1.128 67 R CA 0.575 56.690 56.100 0.026 0.000 0.960 67 R CB -0.306 30.021 30.300 0.044 0.000 0.855 67 R HN 0.072 nan 8.270 nan 0.000 0.432 68 I N 1.283 121.862 120.570 0.016 0.000 2.286 68 I HA -0.208 3.962 4.170 -0.000 0.000 0.248 68 I C 1.776 177.956 176.117 0.106 0.000 1.115 68 I CA 1.429 62.761 61.300 0.054 0.000 1.392 68 I CB -0.078 37.966 38.000 0.073 0.000 1.065 68 I HN 0.103 nan 8.210 nan 0.000 0.418 69 L N 0.090 121.364 121.223 0.084 0.000 2.093 69 L HA -0.165 4.175 4.340 -0.000 0.000 0.208 69 L C 2.718 179.632 176.870 0.073 0.000 1.085 69 L CA 1.241 56.148 54.840 0.111 0.000 0.755 69 L CB -0.840 41.242 42.059 0.038 0.000 0.904 69 L HN 0.256 nan 8.230 nan 0.000 0.435 70 R N 0.748 121.271 120.500 0.039 0.000 2.073 70 R HA -0.155 4.185 4.340 -0.000 0.000 0.229 70 R C 2.285 178.590 176.300 0.008 0.000 1.120 70 R CA 1.466 57.580 56.100 0.023 0.000 0.967 70 R CB -0.543 29.769 30.300 0.020 0.000 0.862 70 R HN 0.251 nan 8.270 nan 0.000 0.436 71 L N 1.224 122.447 121.223 -0.000 0.000 2.017 71 L HA -0.048 4.292 4.340 -0.000 0.000 0.208 71 L C 2.403 179.235 176.870 -0.064 0.000 1.073 71 L CA 2.346 57.170 54.840 -0.027 0.000 0.745 71 L CB -0.847 41.195 42.059 -0.028 0.000 0.894 71 L HN 0.229 nan 8.230 nan 0.000 0.432 72 A N -0.778 121.987 122.820 -0.091 0.000 1.930 72 A HA -0.242 4.078 4.320 -0.000 0.000 0.217 72 A C 2.457 179.984 177.584 -0.096 0.000 1.175 72 A CA 1.858 53.776 52.037 -0.199 0.000 0.627 72 A CB -0.617 18.137 19.000 -0.409 0.000 0.815 72 A HN 0.507 nan 8.150 nan 0.000 0.443 73 K N -0.261 120.132 120.400 -0.013 0.000 2.057 73 K HA -0.204 4.116 4.320 -0.000 0.000 0.207 73 K C 2.060 178.652 176.600 -0.013 0.000 1.049 73 K CA 1.658 57.949 56.287 0.006 0.000 0.931 73 K CB -0.163 32.353 32.500 0.028 0.000 0.714 73 K HN 0.636 nan 8.250 nan 0.000 0.440 74 E N 0.535 120.723 120.200 -0.019 0.000 2.153 74 E HA -0.170 4.180 4.350 -0.000 0.000 0.194 74 E C 1.637 178.218 176.600 -0.032 0.000 0.988 74 E CA 0.902 57.290 56.400 -0.019 0.000 0.811 74 E CB 0.013 29.703 29.700 -0.016 0.000 0.746 74 E HN 0.349 nan 8.360 nan 0.000 0.466 75 L N -0.682 120.508 121.223 -0.055 0.000 2.610 75 L HA 0.171 4.511 4.340 -0.000 0.000 0.232 75 L C 1.419 178.251 176.870 -0.064 0.000 1.149 75 L CA 0.455 55.254 54.840 -0.068 0.000 0.872 75 L CB 0.058 42.055 42.059 -0.103 0.000 0.992 75 L HN 0.385 nan 8.230 nan 0.000 0.447 76 G N 0.298 109.068 108.800 -0.049 0.000 2.131 76 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.223 76 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.223 76 G C 0.087 174.964 174.900 -0.037 0.000 0.990 76 G CA -0.330 44.749 45.100 -0.035 0.000 0.671 76 G HN 0.200 nan 8.290 nan 0.000 0.521 77 L N -0.440 120.749 121.223 -0.058 0.000 2.421 77 L HA 0.827 5.167 4.340 -0.000 0.000 0.263 77 L C 0.471 177.378 176.870 0.061 0.000 1.122 77 L CA -0.685 54.127 54.840 -0.045 0.000 0.804 77 L CB 1.366 43.304 42.059 -0.201 0.000 1.150 77 L HN 0.154 nan 8.230 nan 0.000 0.457 78 E N -0.242 120.038 120.200 0.134 0.000 2.317 78 E HA 0.417 4.767 4.350 -0.000 0.000 0.270 78 E C -0.912 175.837 176.600 0.248 0.000 0.885 78 E CA -0.498 56.001 56.400 0.165 0.000 0.760 78 E CB 2.090 31.854 29.700 0.106 0.000 1.227 78 E HN 0.614 nan 8.360 nan 0.000 0.434 79 T N -0.556 114.096 114.554 0.163 0.000 2.944 79 T HA 0.703 5.053 4.350 -0.000 0.000 0.284 79 T C -0.701 174.075 174.700 0.127 0.000 1.010 79 T CA -0.598 61.530 62.100 0.047 0.000 1.025 79 T CB 0.619 69.397 68.868 -0.150 0.000 1.079 79 T HN 0.457 nan 8.240 nan 0.000 0.516 80 Y N -1.314 118.975 120.300 -0.017 0.000 2.609 80 Y HA 0.727 5.277 4.550 0.000 0.000 0.342 80 Y C -0.732 175.163 175.900 -0.007 0.000 1.058 80 Y CA -1.556 56.547 58.100 0.005 0.000 1.055 80 Y CB 1.415 39.898 38.460 0.039 0.000 1.292 80 Y HN 0.626 nan 8.280 nan 0.000 0.476 81 K N 2.192 122.647 120.400 0.093 0.000 2.234 81 K HA 0.427 4.747 4.320 -0.000 0.000 0.282 81 K C -0.850 175.783 176.600 0.055 0.000 1.039 81 K CA -0.765 55.523 56.287 0.001 0.000 0.928 81 K CB 1.616 34.144 32.500 0.047 0.000 1.039 81 K HN 0.586 nan 8.250 nan 0.000 0.470 82 V N 3.352 123.243 119.914 -0.039 0.000 2.673 82 V HA -0.115 4.005 4.120 -0.000 0.000 0.303 82 V C 0.573 176.711 176.094 0.074 0.000 1.046 82 V CA -0.100 62.232 62.300 0.054 0.000 1.126 82 V CB 0.257 32.107 31.823 0.045 0.000 0.934 82 V HN 0.732 nan 8.190 nan 0.000 0.487 83 N N 4.002 122.769 118.700 0.113 0.000 2.434 83 N HA 0.017 4.757 4.740 -0.000 0.000 0.268 83 N C 0.294 175.827 175.510 0.039 0.000 1.256 83 N CA 0.511 53.614 53.050 0.089 0.000 0.914 83 N CB 0.256 38.819 38.487 0.127 0.000 1.088 83 N HN 0.816 nan 8.380 nan 0.000 0.478 84 E N 2.896 123.107 120.200 0.018 0.000 3.067 84 E HA 0.091 4.441 4.350 -0.000 0.000 0.188 84 E C 0.421 177.014 176.600 -0.012 0.000 0.964 84 E CA -0.029 56.362 56.400 -0.014 0.000 1.286 84 E CB 0.320 29.998 29.700 -0.038 0.000 1.051 84 E HN 0.456 nan 8.360 nan 0.000 0.465 85 V N 0.510 120.429 119.914 0.009 0.000 2.295 85 V HA -0.189 3.931 4.120 -0.000 0.000 0.246 85 V C 0.986 177.081 176.094 0.002 0.000 1.049 85 V CA 1.653 63.956 62.300 0.005 0.000 1.024 85 V CB -0.218 31.611 31.823 0.010 0.000 0.648 85 V HN 0.240 nan 8.190 nan 0.000 0.447 86 E N -0.659 119.550 120.200 0.015 0.000 2.849 86 E HA 0.381 4.731 4.350 -0.000 0.000 0.257 86 E C 0.227 176.834 176.600 0.012 0.000 1.306 86 E CA -0.623 55.791 56.400 0.024 0.000 1.058 86 E CB 0.228 29.959 29.700 0.052 0.000 1.249 86 E HN 0.313 nan 8.360 nan 0.000 0.638 87 R N 0.281 120.811 120.500 0.051 0.000 2.543 87 R HA 0.239 4.578 4.340 -0.000 0.000 0.277 87 R C -0.484 175.763 176.300 -0.088 0.000 1.074 87 R CA -0.512 55.591 56.100 0.004 0.000 1.076 87 R CB 0.076 30.447 30.300 0.118 0.000 0.993 87 R HN 0.186 nan 8.270 nan 0.000 0.459 88 L N 2.851 123.844 121.223 -0.383 0.000 2.456 88 L HA 0.348 4.688 4.340 -0.000 0.000 0.257 88 L C 0.238 176.842 176.870 -0.445 0.000 1.162 88 L CA 0.251 54.758 54.840 -0.555 0.000 0.808 88 L CB 0.430 41.878 42.059 -1.017 0.000 1.136 88 L HN 0.464 nan 8.230 nan 0.000 0.466 89 I N 0.480 120.938 120.570 -0.186 0.000 2.436 89 I HA 0.267 4.437 4.170 -0.000 0.000 0.289 89 I C -0.534 175.845 176.117 0.436 0.000 1.010 89 I CA -0.457 60.891 61.300 0.081 0.000 1.098 89 I CB 1.454 39.369 38.000 -0.143 0.000 1.266 89 I HN 0.550 nan 8.210 nan 0.000 0.434 90 H N 5.456 124.841 119.070 0.525 0.000 2.541 90 H HA 0.299 4.855 4.556 -0.000 0.000 0.316 90 H C -1.220 174.349 175.328 0.402 0.000 1.043 90 H CA -0.738 55.577 56.048 0.446 0.000 1.232 90 H CB 0.845 30.806 29.762 0.331 0.000 1.406 90 H HN 0.584 nan 8.280 nan 0.000 0.469 91 H N 4.646 123.834 119.070 0.196 0.000 2.641 91 H HA 0.292 4.848 4.556 -0.000 0.000 0.295 91 H C -1.281 174.026 175.328 -0.034 0.000 1.070 91 H CA -0.353 55.741 56.048 0.076 0.000 1.257 91 H CB 0.660 30.477 29.762 0.091 0.000 1.393 91 H HN 0.335 nan 8.280 nan 0.000 0.464 92 V N 5.465 125.213 119.914 -0.277 0.000 2.531 92 V HA 0.328 4.448 4.120 -0.000 0.000 0.301 92 V C -0.431 175.581 176.094 -0.135 0.000 1.034 92 V CA -0.891 61.283 62.300 -0.211 0.000 0.865 92 V CB 1.143 32.773 31.823 -0.322 0.000 0.995 92 V HN 0.941 nan 8.190 nan 0.000 0.424 93 K N 5.122 125.476 120.400 -0.078 0.000 3.278 93 K HA -0.149 4.171 4.320 -0.000 0.000 0.270 93 K C 0.831 177.381 176.600 -0.083 0.000 0.955 93 K CA 1.318 57.581 56.287 -0.039 0.000 0.723 93 K CB -1.502 30.998 32.500 0.001 0.000 1.382 93 K HN 2.181 nan 8.250 nan 0.000 0.461 94 G N -0.760 107.940 108.800 -0.165 0.000 2.160 94 G HA2 -0.377 3.583 3.960 -0.000 0.000 0.251 94 G HA3 -0.377 3.583 3.960 -0.000 0.000 0.251 94 G C -0.144 174.612 174.900 -0.241 0.000 1.008 94 G CA 0.706 45.748 45.100 -0.097 0.000 0.724 94 G HN 0.517 nan 8.290 nan 0.000 0.514 95 K N 0.005 120.047 120.400 -0.596 0.000 2.501 95 K HA 0.695 5.015 4.320 -0.000 0.000 0.252 95 K C -0.325 175.964 176.600 -0.519 0.000 0.934 95 K CA -0.404 55.633 56.287 -0.417 0.000 0.797 95 K CB 1.485 33.813 32.500 -0.287 0.000 1.270 95 K HN 0.053 nan 8.250 nan 0.000 0.431 96 S N 2.945 118.508 115.700 -0.228 0.000 2.499 96 S HA 0.422 4.892 4.470 -0.000 0.000 0.279 96 S C -1.263 173.153 174.600 -0.307 0.000 1.219 96 S CA -0.310 57.874 58.200 -0.026 0.000 1.062 96 S CB 0.126 63.383 63.200 0.094 0.000 0.978 96 S HN 0.445 nan 8.310 nan 0.000 0.489 97 Y N 3.017 123.410 120.300 0.154 0.000 2.447 97 Y HA 0.347 4.897 4.550 -0.000 0.000 0.325 97 Y C -2.448 173.650 175.900 0.329 0.000 0.976 97 Y CA -2.397 55.831 58.100 0.213 0.000 1.280 97 Y CB 1.058 39.639 38.460 0.201 0.000 1.104 97 Y HN 0.459 nan 8.280 nan 0.000 0.486 98 P HA 0.264 nan 4.420 nan 0.000 0.275 98 P C -0.881 176.691 177.300 0.452 0.000 1.227 98 P CA -0.064 63.240 63.100 0.340 0.000 0.781 98 P CB 0.627 32.532 31.700 0.342 0.000 0.906 99 F N -0.387 119.686 119.950 0.205 0.000 2.711 99 F HA 0.718 5.245 4.527 0.000 0.000 0.313 99 F C -0.953 174.922 175.800 0.126 0.000 1.141 99 F CA -1.357 56.752 58.000 0.182 0.000 0.941 99 F CB 1.471 40.587 39.000 0.193 0.000 1.349 99 F HN 0.048 nan 8.300 nan 0.000 0.464 100 R N 0.811 121.448 120.500 0.228 0.000 2.854 100 R HA 0.792 5.132 4.340 -0.000 0.000 0.271 100 R C -0.402 176.016 176.300 0.196 0.000 0.996 100 R CA -0.801 55.342 56.100 0.072 0.000 0.961 100 R CB 1.687 32.033 30.300 0.077 0.000 1.182 100 R HN 1.448 nan 8.270 nan 0.000 0.479 101 G N 1.349 110.174 108.800 0.043 0.000 2.746 101 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.685 101 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.685 101 G C -2.020 172.831 174.900 -0.081 0.000 1.350 101 G CA -0.816 44.266 45.100 -0.030 0.000 0.837 101 G HN 0.452 nan 8.290 nan 0.000 0.564 102 P HA 0.108 nan 4.420 nan 0.000 0.221 102 P C 0.348 177.456 177.300 -0.320 0.000 1.150 102 P CA 1.293 64.098 63.100 -0.492 0.000 0.800 102 P CB -0.094 31.096 31.700 -0.851 0.000 0.787 103 F N -0.796 119.189 119.950 0.059 0.000 2.520 103 F HA 0.657 5.184 4.527 -0.000 0.000 0.322 103 F C -2.830 172.713 175.800 -0.429 0.000 1.103 103 F CA -4.277 53.622 58.000 -0.169 0.000 0.926 103 F CB -0.371 38.405 39.000 -0.374 0.000 1.154 103 F HN -0.362 nan 8.300 nan 0.000 0.453 104 P HA 0.195 nan 4.420 nan 0.000 0.271 104 P C -2.414 174.552 177.300 -0.558 0.000 1.216 104 P CA -0.804 61.540 63.100 -1.260 0.000 0.771 104 P CB 0.081 31.181 31.700 -1.001 0.000 0.864 105 P HA 0.121 nan 4.420 nan 0.000 0.272 105 P C -0.914 176.182 177.300 -0.341 0.000 1.223 105 P CA 0.062 62.974 63.100 -0.313 0.000 0.784 105 P CB 0.661 32.245 31.700 -0.195 0.000 0.923 106 V N 1.571 121.222 119.914 -0.438 0.000 2.656 106 V HA 0.259 4.379 4.120 -0.000 0.000 0.307 106 V C 0.040 175.905 176.094 -0.382 0.000 1.051 106 V CA -0.178 61.917 62.300 -0.342 0.000 0.893 106 V CB 1.957 33.537 31.823 -0.405 0.000 0.999 106 V HN 0.706 nan 8.190 nan 0.000 0.426 107 W N 0.650 121.930 121.300 -0.033 0.000 2.871 107 W HA 0.259 4.919 4.660 -0.000 0.000 0.267 107 W C 1.208 177.713 176.519 -0.024 0.000 1.180 107 W CA -0.266 57.061 57.345 -0.029 0.000 1.463 107 W CB 0.433 29.867 29.460 -0.044 0.000 0.966 107 W HN 0.489 nan 8.180 nan 0.000 0.605 108 N N 2.259 121.060 118.700 0.169 0.000 2.468 108 N HA 0.000 4.740 4.740 -0.000 0.000 0.265 108 N C -1.762 173.809 175.510 0.102 0.000 1.199 108 N CA -0.701 52.417 53.050 0.113 0.000 0.928 108 N CB 1.635 40.174 38.487 0.087 0.000 1.059 108 N HN -0.168 nan 8.380 nan 0.000 0.467 109 P HA -0.110 nan 4.420 nan 0.000 0.215 109 P C 1.517 178.879 177.300 0.103 0.000 1.153 109 P CA 0.846 63.982 63.100 0.060 0.000 0.853 109 P CB 0.332 32.048 31.700 0.027 0.000 0.788 110 I N -0.734 119.885 120.570 0.082 0.000 2.202 110 I HA -0.150 4.020 4.170 -0.000 0.000 0.242 110 I C 1.975 178.156 176.117 0.107 0.000 1.091 110 I CA 1.858 63.203 61.300 0.074 0.000 1.368 110 I CB -2.134 35.903 38.000 0.061 0.000 1.058 110 I HN 0.014 nan 8.210 nan 0.000 0.410 111 T N 0.374 115.003 114.554 0.124 0.000 2.788 111 T HA -0.240 4.110 4.350 -0.000 0.000 0.268 111 T C 1.890 176.690 174.700 0.167 0.000 1.044 111 T CA 1.355 63.553 62.100 0.164 0.000 1.139 111 T CB -0.631 68.305 68.868 0.113 0.000 0.867 111 T HN 0.286 nan 8.240 nan 0.000 0.454 112 Y N 1.830 122.120 120.300 -0.017 0.000 2.145 112 Y HA -0.102 4.448 4.550 -0.000 0.000 0.286 112 Y C 2.053 177.957 175.900 0.006 0.000 1.145 112 Y CA 1.183 59.247 58.100 -0.059 0.000 1.148 112 Y CB -0.466 37.930 38.460 -0.107 0.000 0.981 112 Y HN 0.101 nan 8.280 nan 0.000 0.507 113 L N -0.256 121.070 121.223 0.171 0.000 2.046 113 L HA -0.233 4.107 4.340 -0.000 0.000 0.208 113 L C 2.197 179.070 176.870 0.004 0.000 1.077 113 L CA 1.810 56.691 54.840 0.067 0.000 0.747 113 L CB -0.680 41.413 42.059 0.057 0.000 0.896 113 L HN 0.221 nan 8.230 nan 0.000 0.432 114 D N -0.891 119.538 120.400 0.048 0.000 2.097 114 D HA -0.208 4.432 4.640 -0.000 0.000 0.195 114 D C 2.185 178.501 176.300 0.027 0.000 0.989 114 D CA 1.289 55.320 54.000 0.051 0.000 0.827 114 D CB 0.050 40.909 40.800 0.098 0.000 0.966 114 D HN 0.303 nan 8.370 nan 0.000 0.456 115 H N -0.279 118.751 119.070 -0.066 0.000 2.321 115 H HA -0.114 4.442 4.556 -0.000 0.000 0.300 115 H C 2.172 177.502 175.328 0.003 0.000 1.087 115 H CA 1.229 57.252 56.048 -0.041 0.000 1.319 115 H CB -0.211 29.509 29.762 -0.069 0.000 1.379 115 H HN 0.285 nan 8.280 nan 0.000 0.501 116 N N 1.144 119.807 118.700 -0.061 0.000 2.069 116 N HA -0.189 4.551 4.740 -0.000 0.000 0.191 116 N C 1.821 177.295 175.510 -0.060 0.000 1.031 116 N CA 1.017 53.979 53.050 -0.145 0.000 0.852 116 N CB -0.247 38.054 38.487 -0.311 0.000 1.018 116 N HN 0.413 nan 8.380 nan 0.000 0.423 117 N N -0.140 118.526 118.700 -0.057 0.000 2.166 117 N HA -0.184 4.556 4.740 -0.000 0.000 0.186 117 N C 1.905 177.365 175.510 -0.083 0.000 1.019 117 N CA 0.756 53.767 53.050 -0.065 0.000 0.856 117 N CB -0.280 38.179 38.487 -0.046 0.000 0.993 117 N HN 0.241 nan 8.380 nan 0.000 0.426 118 F N 0.653 120.463 119.950 -0.232 0.000 2.069 118 F HA -0.132 4.395 4.527 -0.000 0.000 0.298 118 F C 1.743 177.303 175.800 -0.399 0.000 1.113 118 F CA 1.671 59.444 58.000 -0.380 0.000 1.214 118 F CB -0.790 37.846 39.000 -0.607 0.000 0.978 118 F HN 0.075 nan 8.300 nan 0.000 0.474 119 W N 0.589 121.667 121.300 -0.371 0.000 2.381 119 W HA -0.071 4.589 4.660 -0.000 0.000 0.301 119 W C 2.826 179.096 176.519 -0.414 0.000 1.205 119 W CA 1.456 58.514 57.345 -0.479 0.000 1.285 119 W CB -0.688 28.572 29.460 -0.335 0.000 1.133 119 W HN -0.085 nan 8.180 nan 0.000 0.521 120 R N 0.155 120.595 120.500 -0.100 0.000 2.083 120 R HA -0.167 4.173 4.340 -0.000 0.000 0.237 120 R C 1.912 178.097 176.300 -0.190 0.000 1.137 120 R CA 2.291 58.305 56.100 -0.143 0.000 0.951 120 R CB -0.708 29.508 30.300 -0.140 0.000 0.851 120 R HN 0.051 nan 8.270 nan 0.000 0.434 121 T N 1.305 115.712 114.554 -0.245 0.000 2.777 121 T HA -0.118 4.232 4.350 -0.000 0.000 0.266 121 T C 1.851 176.364 174.700 -0.312 0.000 1.040 121 T CA 1.373 63.323 62.100 -0.250 0.000 1.141 121 T CB -0.057 68.674 68.868 -0.229 0.000 0.868 121 T HN 0.182 nan 8.240 nan 0.000 0.444 122 M N 1.605 120.938 119.600 -0.446 0.000 2.082 122 M HA -0.123 4.357 4.480 -0.000 0.000 0.258 122 M C 1.812 177.973 176.300 -0.233 0.000 1.069 122 M CA 1.566 56.635 55.300 -0.385 0.000 1.102 122 M CB -1.045 31.279 32.600 -0.459 0.000 1.336 122 M HN 0.184 nan 8.290 nan 0.000 0.404 123 D N 0.371 120.658 120.400 -0.189 0.000 2.149 123 D HA -0.106 4.534 4.640 -0.000 0.000 0.201 123 D C 1.598 177.826 176.300 -0.120 0.000 0.972 123 D CA 0.937 54.854 54.000 -0.138 0.000 0.835 123 D CB -0.312 40.418 40.800 -0.117 0.000 0.966 123 D HN 0.277 nan 8.370 nan 0.000 0.476 124 D N 0.355 120.681 120.400 -0.124 0.000 2.104 124 D HA -0.132 4.508 4.640 -0.000 0.000 0.194 124 D C 2.180 178.458 176.300 -0.036 0.000 0.994 124 D CA 0.871 54.822 54.000 -0.082 0.000 0.830 124 D CB -0.240 40.508 40.800 -0.086 0.000 0.959 124 D HN 0.239 nan 8.370 nan 0.000 0.452 125 M N 0.078 119.622 119.600 -0.094 0.000 2.117 125 M HA -0.038 4.442 4.480 -0.000 0.000 0.262 125 M C 2.348 178.678 176.300 0.050 0.000 1.065 125 M CA 1.625 56.879 55.300 -0.078 0.000 1.114 125 M CB -0.448 31.820 32.600 -0.554 0.000 1.361 125 M HN 0.036 nan 8.290 nan 0.000 0.408 126 G N 0.291 109.060 108.800 -0.052 0.000 2.450 126 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.220 126 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.220 126 G C 1.596 176.490 174.900 -0.010 0.000 1.130 126 G CA 0.635 45.714 45.100 -0.034 0.000 0.760 126 G HN 0.411 nan 8.290 nan 0.000 0.557 127 R N 0.133 120.624 120.500 -0.016 0.000 2.241 127 R HA -0.014 4.326 4.340 -0.000 0.000 0.224 127 R C 1.462 177.764 176.300 0.003 0.000 1.101 127 R CA 0.922 57.008 56.100 -0.025 0.000 0.995 127 R CB 0.061 30.341 30.300 -0.033 0.000 0.870 127 R HN 0.285 nan 8.270 nan 0.000 0.463 128 E N 0.161 120.402 120.200 0.069 0.000 2.476 128 E HA 0.137 4.487 4.350 -0.000 0.000 0.196 128 E C -0.032 176.595 176.600 0.044 0.000 1.029 128 E CA 0.204 56.637 56.400 0.055 0.000 0.896 128 E CB 0.577 30.330 29.700 0.089 0.000 1.012 128 E HN 0.307 nan 8.360 nan 0.000 0.475 129 I N 2.848 123.461 120.570 0.072 0.000 2.359 129 I HA 0.228 4.398 4.170 -0.000 0.000 0.284 129 I C -2.446 173.672 176.117 0.001 0.000 1.018 129 I CA -2.324 59.014 61.300 0.064 0.000 1.173 129 I CB 1.438 39.545 38.000 0.178 0.000 1.326 129 I HN -0.345 nan 8.210 nan 0.000 0.462 130 P HA 0.137 nan 4.420 nan 0.000 0.271 130 P C 0.484 177.747 177.300 -0.062 0.000 1.220 130 P CA 0.070 63.098 63.100 -0.121 0.000 0.768 130 P CB 0.928 32.503 31.700 -0.209 0.000 0.848 131 S N 2.207 117.889 115.700 -0.030 0.000 2.370 131 S HA -0.177 4.293 4.470 -0.000 0.000 0.226 131 S C 1.273 175.955 174.600 0.137 0.000 1.033 131 S CA 1.845 60.111 58.200 0.110 0.000 1.011 131 S CB -0.673 62.495 63.200 -0.052 0.000 0.852 131 S HN 0.666 nan 8.310 nan 0.000 0.457 132 D N 0.975 121.311 120.400 -0.107 0.000 2.340 132 D HA 0.253 4.893 4.640 -0.000 0.000 0.220 132 D C 0.347 176.416 176.300 -0.386 0.000 1.039 132 D CA 0.481 54.370 54.000 -0.186 0.000 0.866 132 D CB 0.018 40.640 40.800 -0.297 0.000 0.913 132 D HN 0.337 nan 8.370 nan 0.000 0.523 133 A N 1.003 123.431 122.820 -0.653 0.000 3.200 133 A HA 0.359 4.679 4.320 -0.000 0.000 0.274 133 A C -2.160 174.632 177.584 -1.322 0.000 1.220 133 A CA -0.804 50.358 52.037 -1.458 0.000 0.904 133 A CB 0.923 19.350 19.000 -0.955 0.000 1.415 133 A HN -0.123 nan 8.150 nan 0.000 0.630 134 P HA -0.178 nan 4.420 nan 0.000 0.218 134 P C 1.234 178.319 177.300 -0.358 0.000 1.148 134 P CA 1.532 64.293 63.100 -0.564 0.000 0.822 134 P CB -0.322 31.002 31.700 -0.627 0.000 0.784 135 W N 0.713 121.931 121.300 -0.137 0.000 2.721 135 W HA 0.117 4.777 4.660 -0.000 0.000 0.245 135 W C 1.246 177.716 176.519 -0.083 0.000 1.276 135 W CA 0.344 57.632 57.345 -0.095 0.000 1.342 135 W CB -1.367 28.034 29.460 -0.099 0.000 1.135 135 W HN -0.104 nan 8.180 nan 0.000 0.654 136 K N 0.768 120.974 120.400 -0.322 0.000 2.374 136 K HA 0.330 4.650 4.320 -0.000 0.000 0.196 136 K C 0.893 177.395 176.600 -0.163 0.000 1.023 136 K CA 0.095 56.272 56.287 -0.184 0.000 1.103 136 K CB 0.090 32.443 32.500 -0.246 0.000 0.848 136 K HN 0.091 nan 8.250 nan 0.000 0.528 137 A N 2.322 125.044 122.820 -0.165 0.000 2.540 137 A HA 0.093 4.413 4.320 -0.000 0.000 0.239 137 A C -1.627 175.823 177.584 -0.225 0.000 1.061 137 A CA -0.986 50.948 52.037 -0.172 0.000 0.758 137 A CB 0.097 19.016 19.000 -0.135 0.000 0.991 137 A HN -0.010 nan 8.150 nan 0.000 0.502 138 P HA -0.147 nan 4.420 nan 0.000 0.216 138 P C 0.450 177.552 177.300 -0.331 0.000 1.154 138 P CA 1.310 64.263 63.100 -0.245 0.000 0.865 138 P CB 0.024 31.590 31.700 -0.224 0.000 0.789 139 L N -2.358 118.509 121.223 -0.593 0.000 3.094 139 L HA 0.387 4.727 4.340 -0.000 0.000 0.254 139 L C 1.763 178.245 176.870 -0.646 0.000 1.298 139 L CA -0.327 54.083 54.840 -0.717 0.000 1.050 139 L CB -0.451 40.926 42.059 -1.137 0.000 1.420 139 L HN -0.111 nan 8.230 nan 0.000 0.548 140 A N 0.579 123.198 122.820 -0.336 0.000 1.892 140 A HA -0.248 4.072 4.320 -0.000 0.000 0.218 140 A C 2.258 179.840 177.584 -0.005 0.000 1.188 140 A CA 2.090 54.061 52.037 -0.111 0.000 0.631 140 A CB -0.204 18.779 19.000 -0.028 0.000 0.822 140 A HN 0.573 nan 8.150 nan 0.000 0.447 141 E N -0.519 119.663 120.200 -0.030 0.000 2.051 141 E HA -0.252 4.098 4.350 -0.000 0.000 0.192 141 E C 2.094 178.725 176.600 0.052 0.000 0.991 141 E CA 1.330 57.742 56.400 0.021 0.000 0.799 141 E CB -0.210 29.488 29.700 -0.003 0.000 0.748 141 E HN 0.750 nan 8.360 nan 0.000 0.449 142 E N -0.406 119.795 120.200 0.003 0.000 2.058 142 E HA -0.209 4.141 4.350 -0.000 0.000 0.194 142 E C 1.727 178.483 176.600 0.260 0.000 0.997 142 E CA 1.576 58.023 56.400 0.078 0.000 0.801 142 E CB -0.150 29.556 29.700 0.010 0.000 0.746 142 E HN 0.399 nan 8.360 nan 0.000 0.450 143 W N 0.909 122.245 121.300 0.061 0.000 2.436 143 W HA -0.014 4.646 4.660 -0.000 0.000 0.284 143 W C 1.927 178.511 176.519 0.109 0.000 1.225 143 W CA 0.718 58.111 57.345 0.080 0.000 1.271 143 W CB -0.978 28.529 29.460 0.079 0.000 1.114 143 W HN 0.236 nan 8.180 nan 0.000 0.559 144 D N -0.291 120.300 120.400 0.319 0.000 2.234 144 D HA -0.121 4.519 4.640 -0.000 0.000 0.205 144 D C 1.353 177.775 176.300 0.204 0.000 0.962 144 D CA 0.937 55.091 54.000 0.257 0.000 0.855 144 D CB -0.190 40.736 40.800 0.211 0.000 0.951 144 D HN -0.119 nan 8.370 nan 0.000 0.500 145 N N -0.074 118.730 118.700 0.172 0.000 2.398 145 N HA 0.069 4.809 4.740 -0.000 0.000 0.188 145 N C 0.073 175.659 175.510 0.125 0.000 1.122 145 N CA 0.196 53.324 53.050 0.131 0.000 0.866 145 N CB -0.010 38.538 38.487 0.100 0.000 0.970 145 N HN 0.467 nan 8.380 nan 0.000 0.462 146 M N -1.282 118.408 119.600 0.150 0.000 2.535 146 M HA 0.470 4.950 4.480 -0.000 0.000 0.314 146 M C -0.039 176.334 176.300 0.123 0.000 1.153 146 M CA -0.856 54.516 55.300 0.120 0.000 0.924 146 M CB 1.910 34.578 32.600 0.114 0.000 1.710 146 M HN -0.127 nan 8.290 nan 0.000 0.451 147 T N -0.532 114.076 114.554 0.090 0.000 2.788 147 T HA 0.253 4.603 4.350 -0.000 0.000 0.287 147 T C 1.078 175.804 174.700 0.044 0.000 1.007 147 T CA -0.772 61.376 62.100 0.079 0.000 1.005 147 T CB 0.803 69.710 68.868 0.064 0.000 1.012 147 T HN 0.785 nan 8.240 nan 0.000 0.530 148 M N 0.283 119.887 119.600 0.007 0.000 2.279 148 M HA -0.006 4.474 4.480 -0.000 0.000 0.264 148 M C 2.173 178.427 176.300 -0.076 0.000 1.062 148 M CA 1.448 56.708 55.300 -0.067 0.000 1.099 148 M CB -1.282 31.183 32.600 -0.224 0.000 1.394 148 M HN 0.855 nan 8.290 nan 0.000 0.426 149 K N 0.919 121.287 120.400 -0.053 0.000 2.026 149 K HA -0.200 4.120 4.320 -0.000 0.000 0.208 149 K C 1.753 178.329 176.600 -0.040 0.000 1.048 149 K CA 1.829 58.091 56.287 -0.042 0.000 0.929 149 K CB -0.018 32.490 32.500 0.015 0.000 0.713 149 K HN 0.540 nan 8.250 nan 0.000 0.439 150 E N 0.536 120.726 120.200 -0.017 0.000 2.152 150 E HA -0.196 4.154 4.350 -0.000 0.000 0.192 150 E C 2.156 178.741 176.600 -0.025 0.000 0.983 150 E CA 0.671 57.059 56.400 -0.020 0.000 0.818 150 E CB -0.335 29.366 29.700 0.001 0.000 0.758 150 E HN 0.184 nan 8.360 nan 0.000 0.467 151 L N 1.467 122.678 121.223 -0.020 0.000 2.017 151 L HA -0.121 4.219 4.340 -0.000 0.000 0.208 151 L C 2.282 179.138 176.870 -0.023 0.000 1.073 151 L CA 1.538 56.362 54.840 -0.027 0.000 0.745 151 L CB -0.349 41.683 42.059 -0.045 0.000 0.894 151 L HN 0.174 nan 8.230 nan 0.000 0.432 152 L N -0.885 120.314 121.223 -0.040 0.000 2.046 152 L HA -0.213 4.127 4.340 -0.000 0.000 0.208 152 L C 2.250 179.051 176.870 -0.115 0.000 1.077 152 L CA 1.343 56.130 54.840 -0.087 0.000 0.747 152 L CB -0.994 40.967 42.059 -0.165 0.000 0.896 152 L HN 0.275 nan 8.230 nan 0.000 0.432 153 D N 0.274 120.611 120.400 -0.105 0.000 2.123 153 D HA -0.212 4.428 4.640 -0.000 0.000 0.196 153 D C 2.111 178.324 176.300 -0.145 0.000 0.992 153 D CA 1.314 55.238 54.000 -0.126 0.000 0.833 153 D CB -0.007 40.731 40.800 -0.103 0.000 0.954 153 D HN 0.186 nan 8.370 nan 0.000 0.455 154 K N -0.104 120.238 120.400 -0.095 0.000 2.057 154 K HA -0.072 4.248 4.320 -0.000 0.000 0.206 154 K C 1.818 178.394 176.600 -0.041 0.000 1.050 154 K CA 0.711 56.952 56.287 -0.076 0.000 0.935 154 K CB -0.168 32.319 32.500 -0.023 0.000 0.715 154 K HN -0.029 nan 8.250 nan 0.000 0.439 155 L N 0.301 121.523 121.223 -0.000 0.000 2.202 155 L HA 0.152 4.492 4.340 -0.000 0.000 0.205 155 L C -0.041 176.911 176.870 0.137 0.000 1.083 155 L CA 0.667 55.560 54.840 0.090 0.000 0.790 155 L CB 0.129 42.250 42.059 0.103 0.000 0.942 155 L HN 0.181 nan 8.230 nan 0.000 0.452 156 C N -0.698 118.602 119.300 0.001 0.000 2.246 156 C HA 0.132 4.592 4.460 -0.000 0.000 0.329 156 C C 0.960 175.946 174.990 -0.006 0.000 1.221 156 C CA -0.975 58.029 59.018 -0.024 0.000 1.697 156 C CB -1.081 26.533 27.740 -0.211 0.000 2.312 156 C HN 0.545 nan 8.230 nan 0.000 0.509 157 W N 1.896 123.154 121.300 -0.071 0.000 2.770 157 W HA 0.092 4.752 4.660 -0.000 0.000 0.256 157 W C 1.505 178.001 176.519 -0.037 0.000 1.291 157 W CA 0.304 57.623 57.345 -0.043 0.000 1.396 157 W CB -0.077 29.369 29.460 -0.023 0.000 1.114 157 W HN 0.671 nan 8.180 nan 0.000 0.637 158 T N -3.281 111.352 114.554 0.132 0.000 2.885 158 T HA 0.287 4.637 4.350 -0.000 0.000 0.285 158 T C 0.809 175.509 174.700 -0.001 0.000 1.019 158 T CA -0.645 61.501 62.100 0.077 0.000 1.010 158 T CB 2.519 71.453 68.868 0.110 0.000 1.022 158 T HN -0.192 nan 8.240 nan 0.000 0.466 159 E N 1.154 121.357 120.200 0.004 0.000 2.150 159 E HA -0.094 4.256 4.350 -0.000 0.000 0.193 159 E C 2.137 178.730 176.600 -0.010 0.000 0.985 159 E CA 1.075 57.463 56.400 -0.021 0.000 0.814 159 E CB -0.366 29.330 29.700 -0.007 0.000 0.752 159 E HN 0.749 nan 8.360 nan 0.000 0.466 160 S N 0.698 116.428 115.700 0.050 0.000 2.370 160 S HA -0.180 4.290 4.470 -0.000 0.000 0.226 160 S C 2.064 176.706 174.600 0.069 0.000 1.033 160 S CA 1.510 59.789 58.200 0.132 0.000 1.011 160 S CB -0.032 63.309 63.200 0.234 0.000 0.852 160 S HN 0.295 nan 8.310 nan 0.000 0.457 161 A N 1.112 123.839 122.820 -0.154 0.000 1.897 161 A HA 0.029 4.349 4.320 -0.000 0.000 0.215 161 A C 2.180 179.418 177.584 -0.576 0.000 1.181 161 A CA 1.564 53.176 52.037 -0.708 0.000 0.620 161 A CB -0.685 17.891 19.000 -0.706 0.000 0.821 161 A HN 0.613 nan 8.150 nan 0.000 0.443 162 K N -1.075 119.099 120.400 -0.377 0.000 2.057 162 K HA -0.225 4.095 4.320 -0.000 0.000 0.207 162 K C 2.246 178.689 176.600 -0.263 0.000 1.049 162 K CA 1.752 57.828 56.287 -0.352 0.000 0.931 162 K CB -0.086 32.282 32.500 -0.220 0.000 0.714 162 K HN 0.373 nan 8.250 nan 0.000 0.440 163 Q N 0.482 120.193 119.800 -0.148 0.000 2.172 163 Q HA -0.062 4.278 4.340 -0.000 0.000 0.200 163 Q C 1.773 177.766 176.000 -0.012 0.000 0.964 163 Q CA 0.830 56.603 55.803 -0.051 0.000 0.855 163 Q CB -0.078 28.669 28.738 0.014 0.000 0.918 163 Q HN 0.248 nan 8.270 nan 0.000 0.444 164 L N -0.248 120.957 121.223 -0.030 0.000 2.109 164 L HA 0.092 4.432 4.340 -0.000 0.000 0.207 164 L C 1.883 178.751 176.870 -0.003 0.000 1.086 164 L CA 1.890 56.767 54.840 0.061 0.000 0.760 164 L CB -0.947 41.200 42.059 0.147 0.000 0.910 164 L HN 0.159 nan 8.230 nan 0.000 0.437 165 A N -1.462 121.150 122.820 -0.346 0.000 1.933 165 A HA -0.202 4.118 4.320 -0.000 0.000 0.218 165 A C 2.242 179.755 177.584 -0.120 0.000 1.175 165 A CA 2.281 54.023 52.037 -0.491 0.000 0.628 165 A CB -1.157 17.035 19.000 -1.347 0.000 0.814 165 A HN 0.499 nan 8.150 nan 0.000 0.444 166 T N 0.079 114.550 114.554 -0.139 0.000 2.708 166 T HA -0.120 4.230 4.350 -0.000 0.000 0.266 166 T C 1.872 176.576 174.700 0.008 0.000 1.037 166 T CA 1.357 63.409 62.100 -0.080 0.000 1.146 166 T CB -0.404 68.424 68.868 -0.067 0.000 0.865 166 T HN 0.399 nan 8.240 nan 0.000 0.435 167 L N 0.257 121.531 121.223 0.085 0.000 2.012 167 L HA -0.092 4.248 4.340 -0.000 0.000 0.210 167 L C 2.256 179.242 176.870 0.193 0.000 1.073 167 L CA 1.600 56.531 54.840 0.151 0.000 0.748 167 L CB -0.409 41.775 42.059 0.207 0.000 0.891 167 L HN 0.233 nan 8.230 nan 0.000 0.431 168 F N -0.225 119.800 119.950 0.124 0.000 2.091 168 F HA -0.256 4.271 4.527 -0.000 0.000 0.299 168 F C 2.083 178.007 175.800 0.206 0.000 1.103 168 F CA 2.196 60.330 58.000 0.224 0.000 1.228 168 F CB -0.707 38.532 39.000 0.399 0.000 0.984 168 F HN -0.117 nan 8.300 nan 0.000 0.477 169 V N 1.185 121.028 119.914 -0.120 0.000 2.261 169 V HA -0.368 3.752 4.120 -0.000 0.000 0.246 169 V C 2.065 178.046 176.094 -0.187 0.000 1.047 169 V CA 2.481 64.562 62.300 -0.366 0.000 1.015 169 V CB -1.163 30.313 31.823 -0.578 0.000 0.642 169 V HN 0.426 nan 8.190 nan 0.000 0.446 170 N N 0.171 118.800 118.700 -0.117 0.000 2.061 170 N HA -0.242 4.498 4.740 -0.000 0.000 0.193 170 N C 1.761 177.231 175.510 -0.067 0.000 1.030 170 N CA 1.501 54.502 53.050 -0.082 0.000 0.856 170 N CB -0.274 38.208 38.487 -0.009 0.000 1.023 170 N HN 0.347 nan 8.380 nan 0.000 0.424 171 L N 0.725 121.940 121.223 -0.014 0.000 2.109 171 L HA -0.029 4.311 4.340 -0.000 0.000 0.207 171 L C 1.994 178.890 176.870 0.043 0.000 1.086 171 L CA 1.444 56.295 54.840 0.018 0.000 0.760 171 L CB -0.491 41.575 42.059 0.012 0.000 0.910 171 L HN 0.250 nan 8.230 nan 0.000 0.437 172 C N -1.453 117.835 119.300 -0.019 0.000 2.466 172 C HA -0.007 4.453 4.460 -0.000 0.000 0.278 172 C C 2.235 177.285 174.990 0.100 0.000 1.288 172 C CA 0.908 59.961 59.018 0.058 0.000 1.722 172 C CB -0.512 27.160 27.740 -0.114 0.000 2.017 172 C HN 0.563 nan 8.230 nan 0.000 0.488 173 V N -1.929 117.961 119.914 -0.039 0.000 3.252 173 V HA 0.298 4.418 4.120 -0.000 0.000 0.320 173 V C 0.781 176.736 176.094 -0.233 0.000 1.459 173 V CA 0.803 63.041 62.300 -0.103 0.000 1.095 173 V CB -1.340 30.544 31.823 0.102 0.000 0.997 173 V HN 0.537 nan 8.190 nan 0.000 0.469 174 T N -1.573 112.762 114.554 -0.364 0.000 3.897 174 T HA -0.113 4.237 4.350 -0.000 0.000 0.353 174 T C 0.169 174.702 174.700 -0.278 0.000 0.758 174 T CA 1.358 63.225 62.100 -0.389 0.000 1.883 174 T CB -2.594 65.899 68.868 -0.625 0.000 1.849 174 T HN 2.399 nan 8.240 nan 0.000 0.791 175 A N -0.434 122.210 122.820 -0.292 0.000 2.566 175 A HA 0.739 5.059 4.320 -0.000 0.000 0.292 175 A C -0.393 176.978 177.584 -0.354 0.000 1.112 175 A CA -1.048 50.740 52.037 -0.415 0.000 0.707 175 A CB 1.233 19.743 19.000 -0.816 0.000 1.302 175 A HN 0.328 nan 8.150 nan 0.000 0.409 176 E N 0.590 120.534 120.200 -0.425 0.000 2.373 176 E HA 0.229 4.579 4.350 -0.000 0.000 0.263 176 E C 1.275 177.575 176.600 -0.498 0.000 1.073 176 E CA 0.553 56.677 56.400 -0.460 0.000 0.894 176 E CB 0.929 30.184 29.700 -0.742 0.000 1.008 176 E HN 0.809 nan 8.360 nan 0.000 0.420 177 T N -0.970 113.370 114.554 -0.357 0.000 2.737 177 T HA -0.235 4.115 4.350 -0.000 0.000 0.269 177 T C 1.443 176.019 174.700 -0.206 0.000 1.040 177 T CA 1.842 63.780 62.100 -0.270 0.000 1.142 177 T CB -0.405 68.356 68.868 -0.179 0.000 0.861 177 T HN 0.637 nan 8.240 nan 0.000 0.456 178 H N 0.533 119.539 119.070 -0.108 0.000 2.548 178 H HA 0.270 4.826 4.556 -0.000 0.000 0.268 178 H C 1.552 176.847 175.328 -0.054 0.000 0.975 178 H CA 0.784 56.789 56.048 -0.072 0.000 1.195 178 H CB -0.190 29.530 29.762 -0.070 0.000 1.397 178 H HN 0.505 nan 8.280 nan 0.000 0.572 179 E N 1.420 121.403 120.200 -0.361 0.000 2.230 179 E HA 0.030 4.380 4.350 -0.000 0.000 0.192 179 E C 0.868 177.425 176.600 -0.072 0.000 0.987 179 E CA 0.547 56.826 56.400 -0.203 0.000 0.841 179 E CB 0.691 30.136 29.700 -0.425 0.000 0.783 179 E HN 0.362 nan 8.360 nan 0.000 0.481 180 V N -1.038 118.823 119.914 -0.088 0.000 2.630 180 V HA 0.405 4.525 4.120 -0.000 0.000 0.305 180 V C 0.012 176.233 176.094 0.211 0.000 1.046 180 V CA -1.162 61.196 62.300 0.096 0.000 0.934 180 V CB 1.858 33.779 31.823 0.162 0.000 1.003 180 V HN -0.034 nan 8.190 nan 0.000 0.451 181 S N 3.261 119.162 115.700 0.336 0.000 2.549 181 S HA 0.425 4.895 4.470 -0.000 0.000 0.286 181 S C 1.440 176.282 174.600 0.404 0.000 1.314 181 S CA 0.193 58.608 58.200 0.358 0.000 1.062 181 S CB 0.881 64.330 63.200 0.415 0.000 0.865 181 S HN 1.740 nan 8.310 nan 0.000 0.498 182 A N 5.043 128.033 122.820 0.282 0.000 1.877 182 A HA -0.041 4.279 4.320 -0.000 0.000 0.216 182 A C 2.043 179.801 177.584 0.291 0.000 1.186 182 A CA 1.661 53.836 52.037 0.230 0.000 0.620 182 A CB -1.006 18.055 19.000 0.102 0.000 0.822 182 A HN 0.967 nan 8.150 nan 0.000 0.443 183 L N -1.413 120.026 121.223 0.359 0.000 1.990 183 L HA -0.199 4.141 4.340 -0.000 0.000 0.213 183 L C 2.264 179.372 176.870 0.396 0.000 1.072 183 L CA 2.685 57.769 54.840 0.407 0.000 0.755 183 L CB -0.753 41.548 42.059 0.402 0.000 0.889 183 L HN 0.673 nan 8.230 nan 0.000 0.432 184 W N -0.700 120.766 121.300 0.278 0.000 2.358 184 W HA -0.283 4.377 4.660 -0.000 0.000 0.303 184 W C 2.338 179.124 176.519 0.444 0.000 1.208 184 W CA 1.875 59.408 57.345 0.313 0.000 1.274 184 W CB -0.597 29.024 29.460 0.268 0.000 1.138 184 W HN 0.295 nan 8.180 nan 0.000 0.515 185 F N 0.755 120.791 119.950 0.142 0.000 2.146 185 F HA -0.150 4.377 4.527 -0.000 0.000 0.298 185 F C 2.029 177.748 175.800 -0.136 0.000 1.096 185 F CA 2.108 59.999 58.000 -0.181 0.000 1.275 185 F CB -0.595 38.428 39.000 0.039 0.000 1.008 185 F HN -0.181 nan 8.300 nan 0.000 0.480 186 L N -1.305 119.936 121.223 0.030 0.000 2.141 186 L HA -0.185 4.155 4.340 -0.000 0.000 0.209 186 L C 2.227 179.026 176.870 -0.119 0.000 1.094 186 L CA 1.384 56.178 54.840 -0.076 0.000 0.763 186 L CB -0.964 41.070 42.059 -0.042 0.000 0.908 186 L HN 0.438 nan 8.230 nan 0.000 0.437 187 W N 0.099 121.271 121.300 -0.212 0.000 2.379 187 W HA -0.289 4.371 4.660 -0.000 0.000 0.307 187 W C 2.616 178.923 176.519 -0.353 0.000 1.200 187 W CA 1.377 58.580 57.345 -0.238 0.000 1.297 187 W CB -0.635 28.713 29.460 -0.187 0.000 1.140 187 W HN 0.090 nan 8.180 nan 0.000 0.507 188 Y N 0.677 120.494 120.300 -0.804 0.000 2.151 188 Y HA -0.315 4.235 4.550 -0.000 0.000 0.284 188 Y C 2.344 177.696 175.900 -0.913 0.000 1.166 188 Y CA 3.057 60.492 58.100 -1.109 0.000 1.163 188 Y CB -0.721 37.052 38.460 -1.145 0.000 0.974 188 Y HN -0.133 nan 8.280 nan 0.000 0.511 189 V N 0.754 120.273 119.914 -0.658 0.000 2.323 189 V HA -0.263 3.857 4.120 -0.000 0.000 0.244 189 V C 2.485 178.270 176.094 -0.515 0.000 1.041 189 V CA 2.110 64.103 62.300 -0.511 0.000 1.025 189 V CB -0.675 30.939 31.823 -0.348 0.000 0.656 189 V HN 0.298 nan 8.190 nan 0.000 0.451 190 K N 1.246 121.359 120.400 -0.480 0.000 2.063 190 K HA -0.265 4.055 4.320 -0.000 0.000 0.208 190 K C 2.117 178.391 176.600 -0.543 0.000 1.048 190 K CA 2.411 58.447 56.287 -0.419 0.000 0.928 190 K CB -0.195 32.122 32.500 -0.304 0.000 0.713 190 K HN 0.716 nan 8.250 nan 0.000 0.442 191 Q N -0.897 118.433 119.800 -0.783 0.000 2.444 191 Q HA 0.020 4.360 4.340 -0.000 0.000 0.206 191 Q C 1.398 176.887 176.000 -0.853 0.000 0.948 191 Q CA 0.854 56.188 55.803 -0.783 0.000 0.946 191 Q CB -0.438 27.661 28.738 -1.065 0.000 1.027 191 Q HN 0.148 nan 8.270 nan 0.000 0.513 192 C N 0.102 118.764 119.300 -1.065 0.000 2.754 192 C HA 0.629 5.089 4.460 -0.000 0.000 0.276 192 C C 1.512 175.782 174.990 -1.201 0.000 1.264 192 C CA 0.150 58.166 59.018 -1.670 0.000 1.700 192 C CB -0.805 25.968 27.740 -1.613 0.000 1.885 192 C HN 0.825 nan 8.230 nan 0.000 0.607 193 G N 0.148 108.556 108.800 -0.654 0.000 2.159 193 G HA2 0.293 4.253 3.960 -0.000 0.000 0.227 193 G HA3 0.293 4.253 3.960 -0.000 0.000 0.227 193 G C 0.442 175.184 174.900 -0.264 0.000 0.986 193 G CA 0.001 44.883 45.100 -0.363 0.000 0.651 193 G HN 1.641 nan 8.290 nan 0.000 0.523 194 G N -2.142 106.482 108.800 -0.292 0.000 2.603 194 G HA2 0.342 4.302 3.960 -0.000 0.000 0.686 194 G HA3 0.342 4.302 3.960 -0.000 0.000 0.686 194 G C 1.001 175.842 174.900 -0.097 0.000 1.286 194 G CA 0.912 45.905 45.100 -0.178 0.000 0.871 194 G HN 1.822 nan 8.290 nan 0.000 0.568 195 T N -2.763 111.779 114.554 -0.020 0.000 2.684 195 T HA -0.133 4.217 4.350 -0.000 0.000 0.267 195 T C 2.349 177.061 174.700 0.020 0.000 1.036 195 T CA 2.970 65.114 62.100 0.073 0.000 1.148 195 T CB -0.825 68.096 68.868 0.087 0.000 0.863 195 T HN 0.968 nan 8.240 nan 0.000 0.436 196 T N 1.326 115.874 114.554 -0.011 0.000 2.708 196 T HA -0.027 4.323 4.350 -0.000 0.000 0.266 196 T C 2.125 176.832 174.700 0.011 0.000 1.037 196 T CA 1.477 63.590 62.100 0.022 0.000 1.146 196 T CB -0.324 68.585 68.868 0.068 0.000 0.865 196 T HN 0.304 nan 8.240 nan 0.000 0.435 197 R N 0.926 121.427 120.500 0.001 0.000 2.096 197 R HA 0.131 4.471 4.340 -0.000 0.000 0.235 197 R C 2.175 178.531 176.300 0.093 0.000 1.127 197 R CA 1.142 57.262 56.100 0.033 0.000 0.968 197 R CB -0.799 29.498 30.300 -0.004 0.000 0.861 197 R HN 0.462 nan 8.270 nan 0.000 0.440 198 I N 0.269 120.865 120.570 0.044 0.000 2.439 198 I HA -0.139 4.031 4.170 -0.000 0.000 0.251 198 I C 1.632 177.864 176.117 0.193 0.000 1.139 198 I CA 1.088 62.461 61.300 0.121 0.000 1.438 198 I CB 0.089 38.116 38.000 0.044 0.000 1.085 198 I HN 0.318 nan 8.210 nan 0.000 0.427 199 I N -2.669 117.997 120.570 0.161 0.000 3.030 199 I HA 0.112 4.282 4.170 -0.000 0.000 0.270 199 I C 0.945 177.092 176.117 0.049 0.000 1.211 199 I CA 0.007 61.383 61.300 0.127 0.000 1.479 199 I CB -0.233 37.830 38.000 0.104 0.000 1.105 199 I HN -0.100 nan 8.210 nan 0.000 0.447 200 S N 1.417 117.129 115.700 0.020 0.000 2.565 200 S HA 0.240 4.710 4.470 -0.000 0.000 0.276 200 S C 0.945 175.538 174.600 -0.012 0.000 1.326 200 S CA -0.234 57.947 58.200 -0.031 0.000 1.045 200 S CB 1.626 64.789 63.200 -0.062 0.000 0.918 200 S HN 0.308 nan 8.310 nan 0.000 0.505 201 T N 2.243 116.778 114.554 -0.032 0.000 2.896 201 T HA 0.027 4.377 4.350 -0.000 0.000 0.238 201 T C 0.582 175.252 174.700 -0.050 0.000 1.045 201 T CA 0.611 62.684 62.100 -0.044 0.000 1.248 201 T CB -0.345 68.495 68.868 -0.046 0.000 0.955 201 T HN 0.609 nan 8.240 nan 0.000 0.416 202 T N 3.689 118.211 114.554 -0.054 0.000 2.831 202 T HA 0.111 4.461 4.350 -0.000 0.000 0.291 202 T C 0.657 175.327 174.700 -0.050 0.000 0.981 202 T CA 0.406 62.476 62.100 -0.050 0.000 1.174 202 T CB -0.222 68.615 68.868 -0.051 0.000 0.929 202 T HN 0.523 nan 8.240 nan 0.000 0.532 203 N N 0.910 119.587 118.700 -0.038 0.000 2.782 203 N HA -0.141 4.599 4.740 -0.000 0.000 0.251 203 N C 0.121 175.627 175.510 -0.007 0.000 1.101 203 N CA 1.393 54.428 53.050 -0.024 0.000 0.764 203 N CB -1.079 37.393 38.487 -0.025 0.000 1.122 203 N HN 0.970 nan 8.380 nan 0.000 0.561 204 G N -2.997 105.798 108.800 -0.009 0.000 2.911 204 G HA2 0.561 4.521 3.960 -0.000 0.000 0.299 204 G HA3 0.561 4.521 3.960 -0.000 0.000 0.299 204 G C 0.928 175.829 174.900 0.002 0.000 1.283 204 G CA 0.008 45.131 45.100 0.038 0.000 0.805 204 G HN 0.326 nan 8.290 nan 0.000 0.548 205 G N -0.918 107.923 108.800 0.069 0.000 2.470 205 G HA2 0.024 3.984 3.960 -0.000 0.000 0.220 205 G HA3 0.024 3.984 3.960 -0.000 0.000 0.220 205 G C 1.159 176.031 174.900 -0.047 0.000 1.121 205 G CA 1.002 46.065 45.100 -0.062 0.000 0.766 205 G HN 0.396 nan 8.290 nan 0.000 0.553 206 Q N -0.464 119.308 119.800 -0.047 0.000 2.188 206 Q HA 0.270 4.610 4.340 -0.000 0.000 0.212 206 Q C 1.645 177.596 176.000 -0.082 0.000 0.846 206 Q CA -0.117 55.600 55.803 -0.143 0.000 0.989 206 Q CB 0.757 29.322 28.738 -0.289 0.000 1.114 206 Q HN 0.631 nan 8.270 nan 0.000 0.488 207 E N 0.477 120.636 120.200 -0.069 0.000 2.106 207 E HA -0.074 4.276 4.350 -0.000 0.000 0.192 207 E C -0.024 176.520 176.600 -0.093 0.000 0.984 207 E CA 0.775 57.131 56.400 -0.074 0.000 0.806 207 E CB 0.436 30.086 29.700 -0.084 0.000 0.750 207 E HN 0.137 nan 8.360 nan 0.000 0.458 208 R N -0.797 119.625 120.500 -0.130 0.000 2.808 208 R HA 0.462 4.802 4.340 -0.000 0.000 0.272 208 R C -1.144 174.927 176.300 -0.382 0.000 0.995 208 R CA -0.724 55.207 56.100 -0.283 0.000 0.917 208 R CB 2.041 32.155 30.300 -0.310 0.000 1.217 208 R HN -0.176 nan 8.270 nan 0.000 0.471 209 K N 0.738 120.740 120.400 -0.662 0.000 2.443 209 K HA 0.430 4.749 4.320 -0.000 0.000 0.251 209 K C -1.174 175.090 176.600 -0.560 0.000 0.972 209 K CA -0.680 55.218 56.287 -0.648 0.000 0.833 209 K CB 1.648 33.806 32.500 -0.569 0.000 1.317 209 K HN 0.248 nan 8.250 nan 0.000 0.441 210 F N 1.105 120.987 119.950 -0.113 0.000 2.412 210 F HA 0.138 4.665 4.527 -0.000 0.000 0.348 210 F C 0.531 176.387 175.800 0.093 0.000 1.102 210 F CA -0.891 57.096 58.000 -0.022 0.000 1.196 210 F CB 0.821 39.785 39.000 -0.060 0.000 1.144 210 F HN 0.010 nan 8.300 nan 0.000 0.541 211 V N 3.555 123.667 119.914 0.331 0.000 2.493 211 V HA 0.236 4.356 4.120 -0.000 0.000 0.292 211 V C 0.950 176.928 176.094 -0.194 0.000 1.016 211 V CA 1.100 63.506 62.300 0.176 0.000 1.097 211 V CB 0.155 32.067 31.823 0.148 0.000 0.947 211 V HN 1.107 nan 8.190 nan 0.000 0.479 212 G N 3.300 111.569 108.800 -0.886 0.000 2.199 212 G HA2 0.128 4.088 3.960 -0.000 0.000 0.254 212 G HA3 0.128 4.088 3.960 -0.000 0.000 0.254 212 G C 0.808 175.186 174.900 -0.869 0.000 0.982 212 G CA -0.036 44.292 45.100 -1.286 0.000 0.632 212 G HN 2.430 nan 8.290 nan 0.000 0.529 213 G N -1.570 106.993 108.800 -0.394 0.000 2.650 213 G HA2 0.365 4.324 3.960 -0.000 0.000 0.686 213 G HA3 0.365 4.324 3.960 -0.000 0.000 0.686 213 G C 0.791 175.700 174.900 0.015 0.000 1.205 213 G CA 0.840 45.911 45.100 -0.048 0.000 0.781 213 G HN 1.880 nan 8.290 nan 0.000 0.648 214 S N -0.222 115.539 115.700 0.103 0.000 2.489 214 S HA 0.176 4.646 4.470 -0.000 0.000 0.228 214 S C 2.500 177.090 174.600 -0.017 0.000 0.995 214 S CA 1.506 59.761 58.200 0.091 0.000 0.934 214 S CB 0.093 63.420 63.200 0.212 0.000 0.771 214 S HN 2.155 nan 8.310 nan 0.000 0.522 215 G N 1.555 110.359 108.800 0.007 0.000 2.462 215 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.220 215 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.220 215 G C 1.447 176.325 174.900 -0.036 0.000 1.121 215 G CA 0.661 45.771 45.100 0.018 0.000 0.758 215 G HN 0.638 nan 8.290 nan 0.000 0.559 216 Q N -0.177 119.567 119.800 -0.094 0.000 2.226 216 Q HA -0.051 4.289 4.340 -0.000 0.000 0.204 216 Q C 2.727 178.637 176.000 -0.149 0.000 0.975 216 Q CA 0.947 56.675 55.803 -0.125 0.000 0.866 216 Q CB -0.191 28.449 28.738 -0.163 0.000 0.915 216 Q HN 0.429 nan 8.270 nan 0.000 0.440 217 V N 0.408 120.206 119.914 -0.194 0.000 2.233 217 V HA -0.298 3.822 4.120 -0.000 0.000 0.247 217 V C 2.151 178.184 176.094 -0.102 0.000 1.050 217 V CA 2.202 64.387 62.300 -0.191 0.000 1.010 217 V CB -0.645 31.047 31.823 -0.219 0.000 0.637 217 V HN 0.306 nan 8.190 nan 0.000 0.444 218 S N -0.785 114.879 115.700 -0.060 0.000 2.383 218 S HA -0.197 4.273 4.470 -0.000 0.000 0.227 218 S C 1.913 176.494 174.600 -0.031 0.000 1.026 218 S CA 1.480 59.663 58.200 -0.029 0.000 0.981 218 S CB -0.282 62.922 63.200 0.007 0.000 0.818 218 S HN 0.675 nan 8.310 nan 0.000 0.472 219 E N 1.016 121.197 120.200 -0.031 0.000 2.051 219 E HA -0.099 4.251 4.350 -0.000 0.000 0.192 219 E C 2.363 178.936 176.600 -0.045 0.000 0.991 219 E CA 0.909 57.292 56.400 -0.029 0.000 0.799 219 E CB -0.074 29.610 29.700 -0.026 0.000 0.748 219 E HN 0.354 nan 8.360 nan 0.000 0.449 220 R N 0.163 120.625 120.500 -0.063 0.000 2.115 220 R HA -0.029 4.311 4.340 -0.000 0.000 0.226 220 R C 2.321 178.584 176.300 -0.062 0.000 1.100 220 R CA 0.793 56.854 56.100 -0.065 0.000 0.980 220 R CB -0.146 30.106 30.300 -0.080 0.000 0.875 220 R HN 0.222 nan 8.270 nan 0.000 0.445 221 I N 0.648 121.180 120.570 -0.064 0.000 2.252 221 I HA -0.264 3.906 4.170 -0.000 0.000 0.245 221 I C 2.647 178.721 176.117 -0.072 0.000 1.102 221 I CA 1.057 62.318 61.300 -0.064 0.000 1.385 221 I CB -0.154 37.812 38.000 -0.057 0.000 1.064 221 I HN 0.186 nan 8.210 nan 0.000 0.414 222 M N 0.804 120.369 119.600 -0.059 0.000 2.149 222 M HA -0.252 4.228 4.480 -0.000 0.000 0.261 222 M C 1.572 177.835 176.300 -0.061 0.000 1.064 222 M CA 1.944 57.209 55.300 -0.058 0.000 1.102 222 M CB -0.183 32.393 32.600 -0.039 0.000 1.369 222 M HN 0.137 nan 8.290 nan 0.000 0.408 223 D N 0.616 120.984 120.400 -0.054 0.000 2.144 223 D HA -0.114 4.526 4.640 -0.000 0.000 0.200 223 D C 2.055 178.319 176.300 -0.060 0.000 0.978 223 D CA 1.342 55.312 54.000 -0.048 0.000 0.833 223 D CB -0.378 40.398 40.800 -0.040 0.000 0.961 223 D HN 0.441 nan 8.370 nan 0.000 0.470 224 L N 0.180 121.359 121.223 -0.073 0.000 2.201 224 L HA -0.079 4.261 4.340 -0.000 0.000 0.212 224 L C 2.187 178.953 176.870 -0.172 0.000 1.105 224 L CA 0.525 55.312 54.840 -0.088 0.000 0.775 224 L CB -0.141 41.873 42.059 -0.074 0.000 0.913 224 L HN 0.010 nan 8.230 nan 0.000 0.440 225 L N -1.153 119.954 121.223 -0.193 0.000 2.567 225 L HA 0.177 4.517 4.340 -0.000 0.000 0.225 225 L C 1.614 178.383 176.870 -0.169 0.000 1.119 225 L CA 0.355 55.026 54.840 -0.283 0.000 0.871 225 L CB -0.413 41.512 42.059 -0.224 0.000 1.036 225 L HN 0.418 nan 8.230 nan 0.000 0.459 226 G N 2.110 110.850 108.800 -0.100 0.000 2.574 226 G HA2 -0.438 3.522 3.960 -0.000 0.000 0.301 226 G HA3 -0.438 3.522 3.960 -0.000 0.000 0.301 226 G C 0.277 175.155 174.900 -0.037 0.000 1.166 226 G CA 0.537 45.605 45.100 -0.052 0.000 0.971 226 G HN 0.533 nan 8.290 nan 0.000 0.542 227 D N 0.362 120.750 120.400 -0.019 0.000 2.388 227 D HA 0.316 4.956 4.640 -0.000 0.000 0.221 227 D C 1.835 178.136 176.300 0.001 0.000 1.133 227 D CA 0.175 54.172 54.000 -0.004 0.000 0.831 227 D CB 0.080 40.886 40.800 0.010 0.000 0.962 227 D HN 0.570 nan 8.370 nan 0.000 0.502 228 R N -0.068 120.421 120.500 -0.019 0.000 2.240 228 R HA 0.155 4.495 4.340 -0.000 0.000 0.203 228 R C 0.030 176.313 176.300 -0.029 0.000 1.011 228 R CA 0.209 56.301 56.100 -0.013 0.000 1.007 228 R CB 0.416 30.696 30.300 -0.033 0.000 0.911 228 R HN 0.105 nan 8.270 nan 0.000 0.468 229 V N 2.839 122.728 119.914 -0.040 0.000 2.406 229 V HA 0.139 4.259 4.120 -0.000 0.000 0.272 229 V C -0.150 175.921 176.094 -0.039 0.000 1.043 229 V CA -0.460 61.810 62.300 -0.049 0.000 0.915 229 V CB 1.377 33.170 31.823 -0.049 0.000 0.988 229 V HN 0.031 nan 8.190 nan 0.000 0.466 230 K N 6.450 126.814 120.400 -0.061 0.000 2.367 230 K HA 0.547 4.867 4.320 -0.000 0.000 0.263 230 K C -0.724 175.839 176.600 -0.063 0.000 1.000 230 K CA -0.309 55.950 56.287 -0.047 0.000 0.891 230 K CB 1.862 34.328 32.500 -0.058 0.000 1.117 230 K HN 0.501 nan 8.250 nan 0.000 0.443 231 L N 1.537 122.734 121.223 -0.042 0.000 2.399 231 L HA 0.199 4.539 4.340 -0.000 0.000 0.266 231 L C 0.703 177.541 176.870 -0.054 0.000 1.114 231 L CA -0.258 54.551 54.840 -0.051 0.000 0.804 231 L CB 0.322 42.361 42.059 -0.033 0.000 1.146 231 L HN 0.704 nan 8.230 nan 0.000 0.451 232 E N 0.673 120.827 120.200 -0.078 0.000 2.389 232 E HA -0.234 4.116 4.350 -0.000 0.000 0.243 232 E C -0.483 176.069 176.600 -0.080 0.000 1.154 232 E CA 0.332 56.683 56.400 -0.081 0.000 0.723 232 E CB -0.772 28.901 29.700 -0.045 0.000 1.261 232 E HN 0.367 nan 8.360 nan 0.000 0.390 233 R N 0.222 120.657 120.500 -0.107 0.000 2.724 233 R HA 0.242 4.582 4.340 -0.000 0.000 0.284 233 R C -2.709 173.509 176.300 -0.138 0.000 1.481 233 R CA -1.875 54.167 56.100 -0.097 0.000 1.652 233 R CB 0.668 30.913 30.300 -0.091 0.000 1.175 233 R HN -0.020 nan 8.270 nan 0.000 0.613 234 P HA 0.035 nan 4.420 nan 0.000 0.276 234 P C -0.308 176.954 177.300 -0.063 0.000 1.243 234 P CA -0.235 62.767 63.100 -0.163 0.000 0.768 234 P CB 1.014 32.629 31.700 -0.142 0.000 0.856 235 V N 5.554 125.439 119.914 -0.049 0.000 2.572 235 V HA 0.039 4.159 4.120 -0.000 0.000 0.291 235 V C 1.730 177.838 176.094 0.023 0.000 1.039 235 V CA 0.487 62.775 62.300 -0.019 0.000 1.055 235 V CB 0.228 32.028 31.823 -0.039 0.000 0.969 235 V HN 0.543 nan 8.190 nan 0.000 0.482 236 I N 1.991 122.587 120.570 0.045 0.000 4.312 236 I HA 0.434 4.604 4.170 -0.000 0.000 0.324 236 I C 0.034 176.241 176.117 0.151 0.000 1.298 236 I CA 0.146 61.504 61.300 0.097 0.000 1.231 236 I CB 0.615 38.655 38.000 0.066 0.000 1.152 236 I HN 0.492 nan 8.210 nan 0.000 0.421 237 Y N 1.979 122.227 120.300 -0.088 0.000 2.399 237 Y HA 0.669 5.219 4.550 -0.000 0.000 0.327 237 Y C -1.784 174.030 175.900 -0.143 0.000 1.111 237 Y CA -1.571 56.460 58.100 -0.115 0.000 1.047 237 Y CB 1.644 40.069 38.460 -0.058 0.000 1.259 237 Y HN -0.016 nan 8.280 nan 0.000 0.434 238 I N 6.028 126.174 120.570 -0.706 0.000 2.410 238 I HA 0.272 4.442 4.170 -0.000 0.000 0.286 238 I C -1.162 174.585 176.117 -0.616 0.000 1.009 238 I CA -0.636 60.337 61.300 -0.545 0.000 1.111 238 I CB 1.520 39.337 38.000 -0.305 0.000 1.262 238 I HN 0.519 nan 8.210 nan 0.000 0.443 239 D N 5.983 126.063 120.400 -0.533 0.000 2.303 239 D HA 0.261 4.901 4.640 -0.000 0.000 0.236 239 D C -0.081 176.151 176.300 -0.114 0.000 1.068 239 D CA -0.078 53.720 54.000 -0.335 0.000 0.830 239 D CB 1.726 42.382 40.800 -0.239 0.000 1.109 239 D HN 0.515 nan 8.370 nan 0.000 0.496 240 Q N 1.505 121.276 119.800 -0.048 0.000 2.159 240 Q HA 0.046 4.386 4.340 -0.000 0.000 0.217 240 Q C 1.348 177.346 176.000 -0.003 0.000 0.818 240 Q CA 0.020 55.814 55.803 -0.015 0.000 1.008 240 Q CB 0.874 29.619 28.738 0.011 0.000 1.148 240 Q HN 0.608 nan 8.270 nan 0.000 0.491 241 T N -2.119 112.438 114.554 0.005 0.000 2.995 241 T HA 0.032 4.382 4.350 -0.000 0.000 0.269 241 T C 1.062 175.767 174.700 0.009 0.000 1.091 241 T CA 0.457 62.567 62.100 0.016 0.000 1.128 241 T CB 0.221 69.109 68.868 0.033 0.000 0.891 241 T HN 0.063 nan 8.240 nan 0.000 0.492 242 R N 0.365 120.867 120.500 0.003 0.000 2.602 242 R HA 0.436 4.776 4.340 -0.000 0.000 0.237 242 R C 1.680 177.971 176.300 -0.015 0.000 1.219 242 R CA -0.638 55.462 56.100 -0.001 0.000 1.121 242 R CB 0.523 30.825 30.300 0.005 0.000 1.408 242 R HN 0.173 nan 8.270 nan 0.000 0.559 243 E N 0.689 120.879 120.200 -0.017 0.000 2.038 243 E HA -0.165 4.185 4.350 -0.000 0.000 0.195 243 E C -0.263 176.308 176.600 -0.049 0.000 1.000 243 E CA 1.266 57.649 56.400 -0.029 0.000 0.803 243 E CB 0.178 29.865 29.700 -0.021 0.000 0.750 243 E HN 0.298 nan 8.360 nan 0.000 0.448 244 N N -0.046 118.629 118.700 -0.042 0.000 2.319 244 N HA 0.194 4.934 4.740 -0.000 0.000 0.305 244 N C -1.038 174.447 175.510 -0.041 0.000 1.103 244 N CA -0.455 52.562 53.050 -0.056 0.000 0.815 244 N CB 2.198 40.660 38.487 -0.041 0.000 1.288 244 N HN -0.150 nan 8.380 nan 0.000 0.493 245 V N 1.975 121.859 119.914 -0.050 0.000 2.585 245 V HA 0.136 4.256 4.120 -0.000 0.000 0.296 245 V C 0.496 176.585 176.094 -0.009 0.000 1.035 245 V CA -0.147 62.133 62.300 -0.032 0.000 1.084 245 V CB -0.015 31.791 31.823 -0.028 0.000 0.953 245 V HN 0.355 nan 8.190 nan 0.000 0.483 246 L N 5.586 126.798 121.223 -0.018 0.000 2.282 246 L HA 0.599 4.939 4.340 -0.000 0.000 0.288 246 L C -0.582 176.281 176.870 -0.012 0.000 1.033 246 L CA -0.567 54.279 54.840 0.010 0.000 0.807 246 L CB 1.737 43.815 42.059 0.032 0.000 1.209 246 L HN 0.371 nan 8.230 nan 0.000 0.423 247 V N 2.668 122.618 119.914 0.059 0.000 2.407 247 V HA 0.315 4.435 4.120 -0.000 0.000 0.291 247 V C -0.222 175.964 176.094 0.153 0.000 1.018 247 V CA -0.620 61.714 62.300 0.056 0.000 0.842 247 V CB 1.731 33.579 31.823 0.042 0.000 0.996 247 V HN 0.755 nan 8.190 nan 0.000 0.426 248 E N 3.247 123.539 120.200 0.153 0.000 2.204 248 E HA 0.645 4.995 4.350 -0.000 0.000 0.276 248 E C -0.070 176.606 176.600 0.126 0.000 0.974 248 E CA -0.435 56.077 56.400 0.186 0.000 0.815 248 E CB 1.710 31.551 29.700 0.235 0.000 1.119 248 E HN 0.826 nan 8.360 nan 0.000 0.393 249 T N 1.174 115.798 114.554 0.116 0.000 2.948 249 T HA 0.193 4.543 4.350 -0.000 0.000 0.285 249 T C 0.923 175.603 174.700 -0.034 0.000 1.019 249 T CA -0.845 61.279 62.100 0.041 0.000 1.013 249 T CB 1.035 69.935 68.868 0.055 0.000 1.117 249 T HN 0.449 nan 8.240 nan 0.000 0.533 250 L N 1.520 122.698 121.223 -0.076 0.000 2.131 250 L HA 0.039 4.379 4.340 -0.000 0.000 0.210 250 L C 1.814 178.455 176.870 -0.382 0.000 1.092 250 L CA 1.982 56.731 54.840 -0.153 0.000 0.759 250 L CB -1.209 40.803 42.059 -0.079 0.000 0.903 250 L HN 0.925 nan 8.230 nan 0.000 0.435 251 N N -2.604 115.916 118.700 -0.299 0.000 2.413 251 N HA -0.041 4.699 4.740 -0.000 0.000 0.207 251 N C 0.071 175.402 175.510 -0.299 0.000 1.206 251 N CA 0.536 53.362 53.050 -0.373 0.000 0.832 251 N CB -0.406 38.024 38.487 -0.095 0.000 1.037 251 N HN 0.518 nan 8.380 nan 0.000 0.467 252 H N -3.087 116.000 119.070 0.029 0.000 3.642 252 H HA -0.175 4.381 4.556 -0.000 0.000 0.185 252 H C -0.751 174.590 175.328 0.023 0.000 0.992 252 H CA 0.964 57.022 56.048 0.016 0.000 1.216 252 H CB -1.838 27.922 29.762 -0.004 0.000 1.055 252 H HN 0.494 nan 8.280 nan 0.000 0.351 253 E N 1.741 122.006 120.200 0.108 0.000 2.392 253 E HA 0.199 4.549 4.350 -0.000 0.000 0.264 253 E C 0.266 176.906 176.600 0.067 0.000 1.024 253 E CA 0.017 56.455 56.400 0.063 0.000 0.903 253 E CB 0.506 30.280 29.700 0.123 0.000 0.963 253 E HN 0.108 nan 8.360 nan 0.000 0.432 254 M N 2.840 122.376 119.600 -0.105 0.000 2.294 254 M HA 0.335 4.815 4.480 -0.000 0.000 0.335 254 M C -1.238 174.903 176.300 -0.266 0.000 1.079 254 M CA -0.564 54.703 55.300 -0.055 0.000 0.982 254 M CB 0.839 33.419 32.600 -0.033 0.000 1.651 254 M HN 0.433 nan 8.290 nan 0.000 0.437 255 Y N 0.364 120.676 120.300 0.019 0.000 2.391 255 Y HA 0.446 4.996 4.550 -0.000 0.000 0.341 255 Y C -0.004 175.900 175.900 0.006 0.000 0.965 255 Y CA -0.711 57.395 58.100 0.010 0.000 1.067 255 Y CB 1.790 40.254 38.460 0.006 0.000 1.199 255 Y HN 0.597 nan 8.280 nan 0.000 0.450 256 E N 2.127 122.398 120.200 0.117 0.000 2.171 256 E HA 0.859 5.209 4.350 -0.000 0.000 0.271 256 E C -1.383 175.257 176.600 0.066 0.000 0.916 256 E CA -0.713 55.726 56.400 0.064 0.000 0.774 256 E CB 1.230 30.945 29.700 0.025 0.000 1.128 256 E HN 0.764 nan 8.360 nan 0.000 0.403 257 A N 3.634 126.477 122.820 0.038 0.000 2.587 257 A HA 0.337 4.657 4.320 -0.000 0.000 0.293 257 A C -0.001 177.566 177.584 -0.029 0.000 1.087 257 A CA -0.657 51.399 52.037 0.031 0.000 0.692 257 A CB 1.547 20.582 19.000 0.058 0.000 1.291 257 A HN 0.707 nan 8.150 nan 0.000 0.407 258 K N -0.653 119.720 120.400 -0.046 0.000 2.103 258 K HA 0.052 4.372 4.320 -0.000 0.000 0.204 258 K C -0.635 175.677 176.600 -0.480 0.000 1.052 258 K CA 1.570 57.715 56.287 -0.236 0.000 0.945 258 K CB -0.095 32.319 32.500 -0.143 0.000 0.722 258 K HN 0.621 nan 8.250 nan 0.000 0.443 259 Y N -1.270 119.048 120.300 0.031 0.000 2.588 259 Y HA 0.368 4.918 4.550 -0.000 0.000 0.343 259 Y C -0.611 175.311 175.900 0.037 0.000 1.065 259 Y CA -1.270 56.863 58.100 0.055 0.000 1.038 259 Y CB 1.838 40.319 38.460 0.034 0.000 1.297 259 Y HN -0.418 nan 8.280 nan 0.000 0.467 260 V N 3.190 123.239 119.914 0.225 0.000 2.680 260 V HA 0.485 4.605 4.120 -0.000 0.000 0.309 260 V C -0.617 175.518 176.094 0.069 0.000 1.052 260 V CA -0.860 61.499 62.300 0.099 0.000 0.908 260 V CB 2.082 33.929 31.823 0.040 0.000 1.001 260 V HN 0.546 nan 8.190 nan 0.000 0.431 261 I N 2.846 123.426 120.570 0.017 0.000 2.362 261 I HA 0.331 4.501 4.170 -0.000 0.000 0.289 261 I C 0.267 176.363 176.117 -0.037 0.000 0.994 261 I CA -0.115 61.173 61.300 -0.019 0.000 1.158 261 I CB 1.886 39.886 38.000 -0.001 0.000 1.315 261 I HN 0.608 nan 8.210 nan 0.000 0.451 262 S N 5.524 121.165 115.700 -0.099 0.000 2.399 262 S HA 0.533 5.003 4.470 -0.000 0.000 0.301 262 S C 0.386 175.060 174.600 0.124 0.000 1.093 262 S CA -0.460 57.757 58.200 0.027 0.000 1.077 262 S CB 0.530 63.778 63.200 0.079 0.000 0.980 262 S HN 0.705 nan 8.310 nan 0.000 0.494 263 A N 6.003 128.887 122.820 0.107 0.000 2.911 263 A HA 0.486 4.806 4.320 -0.000 0.000 0.304 263 A C 0.236 177.896 177.584 0.127 0.000 1.144 263 A CA -0.704 51.403 52.037 0.117 0.000 0.988 263 A CB -0.558 18.487 19.000 0.074 0.000 1.141 263 A HN 0.923 nan 8.150 nan 0.000 0.552 264 I N -3.914 116.751 120.570 0.158 0.000 2.846 264 I HA 0.688 4.858 4.170 -0.000 0.000 0.307 264 I C -2.935 173.280 176.117 0.163 0.000 1.053 264 I CA -3.119 58.272 61.300 0.153 0.000 1.050 264 I CB 1.684 39.776 38.000 0.153 0.000 1.239 264 I HN -0.146 nan 8.210 nan 0.000 0.439 265 P HA 0.117 nan 4.420 nan 0.000 0.261 265 P C -2.173 175.183 177.300 0.094 0.000 1.173 265 P CA -0.608 62.562 63.100 0.118 0.000 0.760 265 P CB -0.029 31.728 31.700 0.093 0.000 0.783 266 P HA -0.225 nan 4.420 nan 0.000 0.216 266 P C 1.625 178.910 177.300 -0.025 0.000 1.157 266 P CA 1.831 64.941 63.100 0.016 0.000 0.880 266 P CB -0.250 31.431 31.700 -0.031 0.000 0.791 267 T N -1.298 113.215 114.554 -0.067 0.000 2.881 267 T HA -0.074 4.276 4.350 -0.000 0.000 0.270 267 T C 1.497 176.185 174.700 -0.021 0.000 1.068 267 T CA 0.778 62.825 62.100 -0.088 0.000 1.131 267 T CB -0.801 67.980 68.868 -0.144 0.000 0.871 267 T HN -0.026 nan 8.240 nan 0.000 0.479 268 L N 0.347 121.588 121.223 0.029 0.000 2.551 268 L HA 0.140 4.480 4.340 -0.000 0.000 0.228 268 L C 2.805 179.746 176.870 0.120 0.000 1.153 268 L CA 0.658 55.543 54.840 0.074 0.000 0.851 268 L CB -0.741 41.386 42.059 0.113 0.000 0.959 268 L HN 0.341 nan 8.230 nan 0.000 0.451 269 G N 0.001 108.883 108.800 0.137 0.000 2.479 269 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.220 269 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.220 269 G C 1.601 176.637 174.900 0.226 0.000 1.115 269 G CA 0.301 45.541 45.100 0.232 0.000 0.757 269 G HN 0.151 nan 8.290 nan 0.000 0.560 270 M N 0.331 119.990 119.600 0.098 0.000 2.279 270 M HA -0.002 4.478 4.480 -0.000 0.000 0.264 270 M C 2.185 178.496 176.300 0.019 0.000 1.062 270 M CA 1.017 56.342 55.300 0.042 0.000 1.099 270 M CB -0.544 32.045 32.600 -0.018 0.000 1.394 270 M HN 0.230 nan 8.290 nan 0.000 0.426 271 K N 0.021 120.455 120.400 0.057 0.000 2.439 271 K HA 0.120 4.440 4.320 -0.000 0.000 0.197 271 K C 0.433 177.080 176.600 0.078 0.000 1.041 271 K CA 0.454 56.783 56.287 0.070 0.000 0.970 271 K CB 0.133 32.706 32.500 0.121 0.000 0.773 271 K HN 0.324 nan 8.250 nan 0.000 0.479 272 I N 1.334 121.919 120.570 0.025 0.000 2.359 272 I HA 0.106 4.276 4.170 -0.000 0.000 0.294 272 I C 0.171 176.151 176.117 -0.229 0.000 0.987 272 I CA -0.677 60.546 61.300 -0.128 0.000 1.225 272 I CB 1.202 38.975 38.000 -0.380 0.000 1.366 272 I HN 0.032 nan 8.210 nan 0.000 0.466 273 H N 6.154 125.127 119.070 -0.161 0.000 2.562 273 H HA 0.328 4.884 4.556 -0.000 0.000 0.314 273 H C -1.020 174.213 175.328 -0.160 0.000 1.079 273 H CA -0.194 55.858 56.048 0.007 0.000 1.349 273 H CB 1.035 30.899 29.762 0.170 0.000 1.432 273 H HN 0.327 nan 8.280 nan 0.000 0.479 274 F N 1.859 121.907 119.950 0.163 0.000 2.450 274 F HA 0.185 4.712 4.527 -0.000 0.000 0.332 274 F C 0.612 176.449 175.800 0.062 0.000 1.093 274 F CA -0.705 57.319 58.000 0.041 0.000 1.003 274 F CB 1.360 40.374 39.000 0.023 0.000 1.151 274 F HN 0.479 nan 8.300 nan 0.000 0.474 275 N N 3.675 122.453 118.700 0.129 0.000 2.500 275 N HA 0.402 5.142 4.740 -0.000 0.000 0.291 275 N C -3.065 172.486 175.510 0.068 0.000 1.092 275 N CA -2.227 50.893 53.050 0.117 0.000 0.890 275 N CB 2.177 40.754 38.487 0.150 0.000 1.466 275 N HN 0.054 nan 8.380 nan 0.000 0.507 276 P HA 0.291 nan 4.420 nan 0.000 0.273 276 P C -2.602 174.768 177.300 0.117 0.000 1.250 276 P CA -0.925 62.230 63.100 0.091 0.000 0.793 276 P CB -0.416 31.317 31.700 0.057 0.000 1.011 277 P HA 0.030 nan 4.420 nan 0.000 0.267 277 P C 0.173 177.488 177.300 0.025 0.000 1.201 277 P CA 0.437 63.593 63.100 0.093 0.000 0.775 277 P CB 0.159 31.896 31.700 0.062 0.000 0.854 278 L N 3.856 125.053 121.223 -0.043 0.000 2.483 278 L HA 0.116 4.456 4.340 -0.000 0.000 0.275 278 L C -1.625 175.191 176.870 -0.091 0.000 1.220 278 L CA -1.515 53.228 54.840 -0.161 0.000 0.833 278 L CB -0.553 41.326 42.059 -0.301 0.000 1.102 278 L HN 0.307 nan 8.230 nan 0.000 0.490 279 P HA -0.042 nan 4.420 nan 0.000 0.269 279 P C 0.659 177.924 177.300 -0.058 0.000 1.215 279 P CA -0.232 62.832 63.100 -0.061 0.000 0.780 279 P CB 0.473 32.136 31.700 -0.062 0.000 0.898 280 M N 1.645 121.225 119.600 -0.035 0.000 2.088 280 M HA -0.234 4.246 4.480 -0.000 0.000 0.256 280 M C 1.282 177.585 176.300 0.006 0.000 1.071 280 M CA 2.310 57.600 55.300 -0.016 0.000 1.097 280 M CB -0.362 32.232 32.600 -0.010 0.000 1.315 280 M HN 0.194 nan 8.290 nan 0.000 0.406 281 M N -0.412 119.191 119.600 0.005 0.000 2.117 281 M HA -0.170 4.310 4.480 -0.000 0.000 0.262 281 M C 2.292 178.634 176.300 0.070 0.000 1.065 281 M CA 1.815 57.161 55.300 0.077 0.000 1.114 281 M CB -1.509 31.082 32.600 -0.016 0.000 1.361 281 M HN 0.428 nan 8.290 nan 0.000 0.408 282 R N 0.358 120.824 120.500 -0.056 0.000 2.075 282 R HA -0.166 4.174 4.340 -0.000 0.000 0.232 282 R C 2.016 178.225 176.300 -0.153 0.000 1.126 282 R CA 1.745 57.760 56.100 -0.142 0.000 0.963 282 R CB -0.237 29.928 30.300 -0.226 0.000 0.858 282 R HN 0.339 nan 8.270 nan 0.000 0.435 283 N N 0.472 119.099 118.700 -0.121 0.000 2.060 283 N HA -0.238 4.502 4.740 -0.000 0.000 0.195 283 N C 1.576 177.015 175.510 -0.118 0.000 1.028 283 N CA 2.039 55.026 53.050 -0.106 0.000 0.861 283 N CB -0.009 38.439 38.487 -0.065 0.000 1.029 283 N HN 0.368 nan 8.380 nan 0.000 0.428 284 Q N -1.201 118.531 119.800 -0.114 0.000 2.212 284 Q HA -0.031 4.309 4.340 -0.000 0.000 0.199 284 Q C 1.951 177.685 176.000 -0.443 0.000 0.950 284 Q CA 0.513 56.191 55.803 -0.208 0.000 0.863 284 Q CB -0.076 28.597 28.738 -0.108 0.000 0.944 284 Q HN 0.499 nan 8.270 nan 0.000 0.465 285 M N 1.658 120.991 119.600 -0.446 0.000 2.080 285 M HA -0.165 4.315 4.480 -0.000 0.000 0.260 285 M C 2.042 178.106 176.300 -0.394 0.000 1.068 285 M CA 1.679 56.663 55.300 -0.526 0.000 1.109 285 M CB -0.496 31.967 32.600 -0.228 0.000 1.342 285 M HN 0.306 nan 8.290 nan 0.000 0.405 286 I N -1.361 119.043 120.570 -0.277 0.000 3.241 286 I HA -0.100 4.070 4.170 -0.000 0.000 0.280 286 I C 1.464 177.451 176.117 -0.216 0.000 1.320 286 I CA 1.470 62.639 61.300 -0.218 0.000 1.413 286 I CB -1.064 36.852 38.000 -0.139 0.000 1.060 286 I HN 0.352 nan 8.210 nan 0.000 0.500 287 T N -2.550 111.852 114.554 -0.253 0.000 3.069 287 T HA 0.291 4.641 4.350 -0.000 0.000 0.252 287 T C 1.444 175.974 174.700 -0.283 0.000 1.053 287 T CA -0.264 61.699 62.100 -0.228 0.000 0.964 287 T CB -0.006 68.751 68.868 -0.185 0.000 1.005 287 T HN 0.409 nan 8.240 nan 0.000 0.532 288 R N 0.916 121.190 120.500 -0.378 0.000 2.508 288 R HA 0.329 4.668 4.340 -0.000 0.000 0.300 288 R C -0.103 175.878 176.300 -0.531 0.000 0.970 288 R CA 0.013 55.860 56.100 -0.422 0.000 1.102 288 R CB 1.362 31.358 30.300 -0.506 0.000 1.246 288 R HN 0.430 nan 8.270 nan 0.000 0.539 289 V N -0.829 118.754 119.914 -0.551 0.000 2.383 289 V HA 0.470 4.590 4.120 -0.000 0.000 0.261 289 V C -2.663 173.070 176.094 -0.602 0.000 0.987 289 V CA -2.281 59.578 62.300 -0.735 0.000 0.853 289 V CB 0.646 31.999 31.823 -0.783 0.000 1.095 289 V HN -0.107 nan 8.190 nan 0.000 0.461 290 P HA 0.500 nan 4.420 nan 0.000 0.276 290 P C -0.652 176.325 177.300 -0.539 0.000 1.261 290 P CA -0.325 62.440 63.100 -0.560 0.000 0.800 290 P CB 1.814 33.162 31.700 -0.586 0.000 1.066 291 L N 0.072 121.154 121.223 -0.233 0.000 2.352 291 L HA 0.587 4.927 4.340 -0.000 0.000 0.269 291 L C 1.450 178.372 176.870 0.087 0.000 1.034 291 L CA -0.257 54.547 54.840 -0.060 0.000 0.806 291 L CB 0.635 42.691 42.059 -0.004 0.000 1.244 291 L HN 0.470 nan 8.230 nan 0.000 0.447 292 G N -0.074 108.805 108.800 0.131 0.000 2.631 292 G HA2 0.402 4.362 3.960 -0.000 0.000 0.271 292 G HA3 0.402 4.362 3.960 -0.000 0.000 0.271 292 G C -0.759 174.143 174.900 0.003 0.000 1.302 292 G CA -0.361 44.779 45.100 0.066 0.000 1.002 292 G HN 0.496 nan 8.290 nan 0.000 0.519 293 S N -1.283 114.390 115.700 -0.046 0.000 2.605 293 S HA 0.571 5.041 4.470 -0.000 0.000 0.308 293 S C -0.988 173.598 174.600 -0.023 0.000 1.113 293 S CA -0.502 57.698 58.200 0.001 0.000 1.049 293 S CB 1.614 64.827 63.200 0.021 0.000 1.001 293 S HN 0.811 nan 8.310 nan 0.000 0.480 294 V N 4.859 124.809 119.914 0.061 0.000 3.048 294 V HA 0.599 4.719 4.120 -0.000 0.000 0.303 294 V C -1.936 174.323 176.094 0.274 0.000 1.214 294 V CA -0.811 61.563 62.300 0.124 0.000 0.984 294 V CB 1.843 33.684 31.823 0.030 0.000 1.054 294 V HN 0.869 nan 8.190 nan 0.000 0.430 295 I N 5.094 125.839 120.570 0.291 0.000 2.378 295 I HA 0.528 4.698 4.170 -0.000 0.000 0.291 295 I C -0.242 176.125 176.117 0.417 0.000 0.992 295 I CA -0.607 60.884 61.300 0.318 0.000 1.154 295 I CB 1.726 39.852 38.000 0.211 0.000 1.315 295 I HN 0.502 nan 8.210 nan 0.000 0.448 296 K N 5.872 126.550 120.400 0.465 0.000 2.234 296 K HA 0.592 4.912 4.320 -0.000 0.000 0.277 296 K C -1.439 175.287 176.600 0.211 0.000 1.038 296 K CA -0.343 56.195 56.287 0.419 0.000 0.888 296 K CB 0.940 33.757 32.500 0.529 0.000 1.091 296 K HN 0.715 nan 8.250 nan 0.000 0.467 297 C N 5.193 124.578 119.300 0.141 0.000 2.498 297 C HA 0.587 5.047 4.460 -0.000 0.000 0.316 297 C C -0.769 174.263 174.990 0.071 0.000 1.209 297 C CA -1.127 57.957 59.018 0.110 0.000 1.518 297 C CB 0.046 27.957 27.740 0.285 0.000 2.147 297 C HN 0.717 nan 8.230 nan 0.000 0.483 298 I N 2.849 123.420 120.570 0.001 0.000 2.439 298 I HA 0.400 4.570 4.170 -0.000 0.000 0.285 298 I C -0.256 175.868 176.117 0.011 0.000 1.021 298 I CA -0.117 61.139 61.300 -0.073 0.000 1.091 298 I CB 1.425 39.322 38.000 -0.173 0.000 1.242 298 I HN 0.386 nan 8.210 nan 0.000 0.439 299 V N 6.625 126.559 119.914 0.034 0.000 2.407 299 V HA 0.376 4.496 4.120 -0.000 0.000 0.278 299 V C -0.567 175.370 176.094 -0.261 0.000 1.037 299 V CA -0.671 61.663 62.300 0.057 0.000 0.900 299 V CB 0.691 32.592 31.823 0.131 0.000 0.983 299 V HN 0.405 nan 8.190 nan 0.000 0.459 300 Y N 3.953 124.201 120.300 -0.086 0.000 2.387 300 Y HA 0.688 5.238 4.550 -0.000 0.000 0.330 300 Y C -0.291 175.469 175.900 -0.234 0.000 1.133 300 Y CA -0.488 57.605 58.100 -0.010 0.000 1.152 300 Y CB 1.426 39.983 38.460 0.161 0.000 1.215 300 Y HN 0.533 nan 8.280 nan 0.000 0.466 301 Y N -0.246 120.308 120.300 0.424 0.000 2.609 301 Y HA 0.275 4.825 4.550 -0.000 0.000 0.342 301 Y C 1.082 177.131 175.900 0.249 0.000 1.058 301 Y CA -1.463 56.857 58.100 0.367 0.000 1.055 301 Y CB 1.951 40.725 38.460 0.524 0.000 1.292 301 Y HN 0.516 nan 8.280 nan 0.000 0.476 302 K N 0.733 121.353 120.400 0.366 0.000 2.063 302 K HA -0.151 4.169 4.320 -0.000 0.000 0.208 302 K C -0.122 176.553 176.600 0.126 0.000 1.048 302 K CA 1.934 58.332 56.287 0.185 0.000 0.928 302 K CB 0.189 32.771 32.500 0.137 0.000 0.713 302 K HN 0.806 nan 8.250 nan 0.000 0.442 303 E N -0.595 119.700 120.200 0.157 0.000 2.408 303 E HA 0.262 4.612 4.350 -0.000 0.000 0.275 303 E C -2.724 173.747 176.600 -0.215 0.000 0.935 303 E CA -2.318 54.078 56.400 -0.007 0.000 0.775 303 E CB 2.098 31.784 29.700 -0.022 0.000 1.277 303 E HN -0.158 nan 8.360 nan 0.000 0.455 304 P HA 0.089 nan 4.420 nan 0.000 0.230 304 P C 0.422 176.821 177.300 -1.502 0.000 1.791 304 P CA -0.308 61.870 63.100 -1.538 0.000 1.020 304 P CB -1.073 30.002 31.700 -1.042 0.000 1.977 305 F N -0.105 119.329 119.950 -0.859 0.000 2.250 305 F HA -0.141 4.386 4.527 -0.000 0.000 0.301 305 F C 1.760 177.410 175.800 -0.250 0.000 1.077 305 F CA 0.065 57.829 58.000 -0.393 0.000 1.348 305 F CB -1.831 37.060 39.000 -0.181 0.000 1.040 305 F HN 0.134 nan 8.300 nan 0.000 0.509 306 W N 1.407 122.432 121.300 -0.458 0.000 2.374 306 W HA 0.003 4.663 4.660 0.000 0.000 0.288 306 W C 2.069 178.543 176.519 -0.075 0.000 1.218 306 W CA 0.961 58.203 57.345 -0.172 0.000 1.245 306 W CB -1.160 28.130 29.460 -0.284 0.000 1.126 306 W HN -0.137 nan 8.180 nan 0.000 0.545 307 R N 1.309 121.615 120.500 -0.324 0.000 2.127 307 R HA -0.105 4.235 4.340 -0.000 0.000 0.238 307 R C 2.084 178.301 176.300 -0.138 0.000 1.134 307 R CA 1.826 57.818 56.100 -0.181 0.000 0.975 307 R CB -0.490 29.646 30.300 -0.274 0.000 0.865 307 R HN 0.314 nan 8.270 nan 0.000 0.447 308 K N 0.500 120.814 120.400 -0.143 0.000 2.209 308 K HA -0.108 4.212 4.320 -0.000 0.000 0.204 308 K C 1.270 177.798 176.600 -0.120 0.000 1.048 308 K CA 0.990 57.216 56.287 -0.103 0.000 0.940 308 K CB 0.031 32.491 32.500 -0.066 0.000 0.729 308 K HN -0.067 nan 8.250 nan 0.000 0.451 309 K N 1.007 121.307 120.400 -0.167 0.000 2.410 309 K HA -0.005 4.315 4.320 -0.000 0.000 0.200 309 K C -0.554 175.704 176.600 -0.571 0.000 1.023 309 K CA 0.162 56.241 56.287 -0.347 0.000 1.149 309 K CB 0.042 32.314 32.500 -0.379 0.000 0.859 309 K HN 0.066 nan 8.250 nan 0.000 0.514 310 D N -0.445 119.770 120.400 -0.308 0.000 2.800 310 D HA -0.236 4.404 4.640 -0.000 0.000 0.232 310 D C -1.394 174.834 176.300 -0.119 0.000 1.137 310 D CA 0.718 54.602 54.000 -0.193 0.000 0.718 310 D CB -1.418 39.292 40.800 -0.150 0.000 1.084 310 D HN 0.389 nan 8.370 nan 0.000 0.432 311 Y N -0.783 119.552 120.300 0.058 0.000 2.352 311 Y HA 0.321 4.871 4.550 -0.000 0.000 0.339 311 Y C 2.031 178.010 175.900 0.132 0.000 0.992 311 Y CA -0.951 57.188 58.100 0.065 0.000 1.100 311 Y CB 1.305 39.815 38.460 0.082 0.000 1.192 311 Y HN 0.252 nan 8.280 nan 0.000 0.458 312 C N -0.837 118.589 119.300 0.210 0.000 2.464 312 C HA 0.432 4.892 4.460 -0.000 0.000 0.278 312 C C 1.735 176.803 174.990 0.130 0.000 1.375 312 C CA 0.744 59.857 59.018 0.159 0.000 1.761 312 C CB -0.877 26.881 27.740 0.030 0.000 1.944 312 C HN 1.216 nan 8.230 nan 0.000 0.509 313 G N -0.416 108.301 108.800 -0.137 0.000 2.255 313 G HA2 -0.115 3.845 3.960 -0.000 0.000 0.196 313 G HA3 -0.115 3.845 3.960 -0.000 0.000 0.196 313 G C 0.054 174.638 174.900 -0.526 0.000 0.998 313 G CA 0.163 44.883 45.100 -0.632 0.000 0.656 313 G HN 0.558 nan 8.290 nan 0.000 0.490 314 T N 2.575 116.917 114.554 -0.352 0.000 2.779 314 T HA 0.605 4.955 4.350 -0.000 0.000 0.296 314 T C 0.303 174.811 174.700 -0.319 0.000 0.938 314 T CA 0.629 62.507 62.100 -0.370 0.000 1.119 314 T CB 0.765 69.474 68.868 -0.266 0.000 0.891 314 T HN 0.282 nan 8.240 nan 0.000 0.526 315 M N 4.097 123.492 119.600 -0.342 0.000 2.259 315 M HA 0.489 4.969 4.480 -0.000 0.000 0.304 315 M C -0.793 175.514 176.300 0.012 0.000 1.019 315 M CA -0.561 54.649 55.300 -0.150 0.000 0.922 315 M CB 2.145 34.634 32.600 -0.185 0.000 1.600 315 M HN 0.416 nan 8.290 nan 0.000 0.433 316 I N 4.901 125.619 120.570 0.247 0.000 2.359 316 I HA 0.413 4.583 4.170 -0.000 0.000 0.284 316 I C -0.869 175.527 176.117 0.464 0.000 1.018 316 I CA -0.316 61.236 61.300 0.420 0.000 1.173 316 I CB 0.852 39.124 38.000 0.453 0.000 1.326 316 I HN 0.610 nan 8.210 nan 0.000 0.462 317 I N 5.377 126.172 120.570 0.376 0.000 2.359 317 I HA 0.269 4.439 4.170 -0.000 0.000 0.284 317 I C -0.438 175.864 176.117 0.308 0.000 1.018 317 I CA -0.693 60.808 61.300 0.335 0.000 1.173 317 I CB 0.840 38.983 38.000 0.238 0.000 1.326 317 I HN 0.395 nan 8.210 nan 0.000 0.462 318 D N 5.009 125.588 120.400 0.298 0.000 2.362 318 D HA 0.574 5.214 4.640 -0.000 0.000 0.242 318 D C 0.525 176.934 176.300 0.182 0.000 1.132 318 D CA 0.605 54.743 54.000 0.230 0.000 0.907 318 D CB 1.388 42.293 40.800 0.175 0.000 1.195 318 D HN 0.846 nan 8.370 nan 0.000 0.429 319 G N 0.875 109.764 108.800 0.150 0.000 2.576 319 G HA2 -0.092 3.868 3.960 -0.000 0.000 0.686 319 G HA3 -0.092 3.868 3.960 -0.000 0.000 0.686 319 G C 0.418 175.390 174.900 0.120 0.000 1.242 319 G CA -0.213 44.960 45.100 0.122 0.000 0.819 319 G HN 0.360 nan 8.290 nan 0.000 0.655 320 E N -0.067 120.198 120.200 0.108 0.000 2.152 320 E HA -0.025 4.325 4.350 -0.000 0.000 0.192 320 E C 2.108 178.769 176.600 0.101 0.000 0.983 320 E CA 2.086 58.559 56.400 0.121 0.000 0.818 320 E CB 0.099 29.866 29.700 0.112 0.000 0.758 320 E HN 0.467 nan 8.360 nan 0.000 0.467 321 E N 0.381 120.632 120.200 0.085 0.000 2.216 321 E HA 0.079 4.429 4.350 -0.000 0.000 0.192 321 E C 0.236 176.870 176.600 0.057 0.000 0.988 321 E CA 0.764 57.203 56.400 0.065 0.000 0.834 321 E CB -0.447 29.288 29.700 0.059 0.000 0.772 321 E HN 0.274 nan 8.360 nan 0.000 0.479 322 A N 3.541 126.407 122.820 0.076 0.000 2.515 322 A HA 0.114 4.434 4.320 -0.000 0.000 0.263 322 A C -1.278 176.338 177.584 0.054 0.000 1.096 322 A CA -0.882 51.198 52.037 0.071 0.000 0.769 322 A CB 0.175 19.244 19.000 0.116 0.000 1.040 322 A HN -0.057 nan 8.150 nan 0.000 0.505 323 P HA -0.047 nan 4.420 nan 0.000 0.217 323 P C 0.269 177.605 177.300 0.060 0.000 1.150 323 P CA 0.969 64.079 63.100 0.017 0.000 0.832 323 P CB 0.068 31.760 31.700 -0.014 0.000 0.787 324 V N 0.080 120.049 119.914 0.091 0.000 2.417 324 V HA 0.480 4.600 4.120 -0.000 0.000 0.291 324 V C 1.165 177.381 176.094 0.203 0.000 1.024 324 V CA -0.104 62.299 62.300 0.171 0.000 0.861 324 V CB 1.326 33.275 31.823 0.210 0.000 0.985 324 V HN -0.020 nan 8.190 nan 0.000 0.436 325 A N 4.430 127.401 122.820 0.251 0.000 2.220 325 A HA 0.325 4.645 4.320 -0.000 0.000 0.211 325 A C 0.144 177.958 177.584 0.383 0.000 1.176 325 A CA 0.526 52.733 52.037 0.283 0.000 0.834 325 A CB 0.179 19.333 19.000 0.258 0.000 0.868 325 A HN 0.773 nan 8.150 nan 0.000 0.488 326 Y N -0.079 120.349 120.300 0.213 0.000 2.442 326 Y HA 0.464 5.014 4.550 -0.000 0.000 0.330 326 Y C -0.450 175.512 175.900 0.103 0.000 1.100 326 Y CA -0.393 57.818 58.100 0.185 0.000 1.034 326 Y CB 1.475 40.087 38.460 0.254 0.000 1.285 326 Y HN 0.127 nan 8.280 nan 0.000 0.440 327 T N 4.080 118.302 114.554 -0.553 0.000 2.906 327 T HA 0.861 5.211 4.350 -0.000 0.000 0.295 327 T C -1.552 172.718 174.700 -0.717 0.000 1.075 327 T CA -0.824 60.957 62.100 -0.531 0.000 1.005 327 T CB 1.864 70.431 68.868 -0.503 0.000 1.136 327 T HN 0.617 nan 8.240 nan 0.000 0.498 328 L N 1.102 122.029 121.223 -0.493 0.000 2.409 328 L HA 0.489 4.829 4.340 -0.000 0.000 0.262 328 L C -0.578 176.108 176.870 -0.307 0.000 0.992 328 L CA -1.250 53.368 54.840 -0.371 0.000 0.817 328 L CB 2.229 44.148 42.059 -0.233 0.000 1.350 328 L HN 0.762 nan 8.230 nan 0.000 0.411 329 D N 1.025 121.284 120.400 -0.236 0.000 2.450 329 D HA -0.058 4.582 4.640 -0.000 0.000 0.247 329 D C -0.268 176.047 176.300 0.025 0.000 1.162 329 D CA 0.628 54.566 54.000 -0.104 0.000 0.879 329 D CB 1.167 42.026 40.800 0.098 0.000 1.163 329 D HN 0.504 nan 8.370 nan 0.000 0.472 330 D N 1.872 122.290 120.400 0.029 0.000 2.462 330 D HA 0.075 4.715 4.640 -0.000 0.000 0.221 330 D C -0.362 176.014 176.300 0.127 0.000 1.173 330 D CA -0.162 53.880 54.000 0.069 0.000 0.831 330 D CB 0.402 41.180 40.800 -0.037 0.000 1.001 330 D HN 0.219 nan 8.370 nan 0.000 0.499 331 T N 1.480 116.148 114.554 0.191 0.000 2.940 331 T HA 0.035 4.385 4.350 -0.000 0.000 0.309 331 T C 0.498 175.272 174.700 0.123 0.000 1.056 331 T CA -0.129 62.080 62.100 0.183 0.000 1.137 331 T CB 0.842 69.821 68.868 0.185 0.000 0.976 331 T HN -0.042 nan 8.240 nan 0.000 0.547 332 K N 4.056 124.492 120.400 0.060 0.000 2.414 332 K HA 0.048 4.368 4.320 -0.000 0.000 0.272 332 K C -1.428 175.066 176.600 -0.176 0.000 0.993 332 K CA -1.555 54.674 56.287 -0.096 0.000 0.964 332 K CB 0.215 32.696 32.500 -0.032 0.000 0.925 332 K HN 0.352 nan 8.250 nan 0.000 0.487 333 P HA -0.166 nan 4.420 nan 0.000 0.218 333 P C 0.368 177.592 177.300 -0.127 0.000 1.146 333 P CA 1.438 64.329 63.100 -0.349 0.000 0.813 333 P CB 0.303 31.683 31.700 -0.534 0.000 0.778 334 E N -1.125 119.019 120.200 -0.092 0.000 2.347 334 E HA 0.127 4.477 4.350 -0.000 0.000 0.196 334 E C 1.617 178.201 176.600 -0.027 0.000 1.008 334 E CA 1.018 57.397 56.400 -0.035 0.000 0.852 334 E CB -0.822 28.876 29.700 -0.003 0.000 0.783 334 E HN 0.313 nan 8.360 nan 0.000 0.505 335 G N 0.663 109.449 108.800 -0.024 0.000 2.175 335 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.244 335 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.244 335 G C 0.036 174.920 174.900 -0.028 0.000 0.982 335 G CA 0.242 45.325 45.100 -0.028 0.000 0.641 335 G HN 0.380 nan 8.290 nan 0.000 0.527 336 N N -0.769 117.929 118.700 -0.003 0.000 2.530 336 N HA 0.547 5.287 4.740 -0.000 0.000 0.283 336 N C 0.479 176.041 175.510 0.087 0.000 1.238 336 N CA -0.994 52.024 53.050 -0.053 0.000 0.971 336 N CB 0.003 38.387 38.487 -0.172 0.000 1.195 336 N HN 0.536 nan 8.380 nan 0.000 0.583 337 Y N -2.639 117.687 120.300 0.043 0.000 3.037 337 Y HA -0.180 4.370 4.550 -0.000 0.000 0.204 337 Y C 0.493 176.525 175.900 0.221 0.000 1.275 337 Y CA 0.290 58.468 58.100 0.130 0.000 1.066 337 Y CB -2.255 36.243 38.460 0.063 0.000 1.305 337 Y HN 0.744 nan 8.280 nan 0.000 0.499 338 A N 0.502 123.483 122.820 0.268 0.000 2.567 338 A HA 0.576 4.896 4.320 -0.000 0.000 0.240 338 A C 0.696 178.530 177.584 0.416 0.000 1.053 338 A CA 0.574 52.782 52.037 0.285 0.000 0.755 338 A CB 0.109 19.205 19.000 0.161 0.000 0.978 338 A HN 1.428 nan 8.150 nan 0.000 0.507 339 A N 2.679 125.739 122.820 0.399 0.000 2.604 339 A HA 0.645 4.965 4.320 -0.000 0.000 0.295 339 A C -0.996 176.579 177.584 -0.015 0.000 1.067 339 A CA -0.511 51.573 52.037 0.078 0.000 0.683 339 A CB 1.024 19.772 19.000 -0.420 0.000 1.281 339 A HN 0.686 nan 8.150 nan 0.000 0.407 340 I N 2.607 123.058 120.570 -0.198 0.000 2.406 340 I HA 0.360 4.530 4.170 -0.000 0.000 0.290 340 I C -0.225 175.723 176.117 -0.281 0.000 0.999 340 I CA -0.399 60.648 61.300 -0.422 0.000 1.124 340 I CB 1.663 39.241 38.000 -0.702 0.000 1.289 340 I HN 0.739 nan 8.210 nan 0.000 0.441 341 M N 5.576 125.012 119.600 -0.272 0.000 2.188 341 M HA 0.594 5.074 4.480 -0.000 0.000 0.357 341 M C -0.305 175.847 176.300 -0.247 0.000 1.204 341 M CA -0.160 55.012 55.300 -0.212 0.000 1.095 341 M CB 1.161 33.660 32.600 -0.168 0.000 1.604 341 M HN 0.701 nan 8.290 nan 0.000 0.464 342 G N 4.566 113.277 108.800 -0.148 0.000 2.620 342 G HA2 0.664 4.624 3.960 -0.000 0.000 0.301 342 G HA3 0.664 4.624 3.960 -0.000 0.000 0.301 342 G C -1.917 172.950 174.900 -0.055 0.000 1.347 342 G CA -0.534 44.532 45.100 -0.057 0.000 0.971 342 G HN 0.664 nan 8.290 nan 0.000 0.488 343 F N 1.018 121.115 119.950 0.245 0.000 2.415 343 F HA 0.470 4.997 4.527 -0.000 0.000 0.348 343 F C 0.590 176.508 175.800 0.196 0.000 1.119 343 F CA -0.720 57.429 58.000 0.249 0.000 1.069 343 F CB 2.025 41.204 39.000 0.300 0.000 1.124 343 F HN 0.061 nan 8.300 nan 0.000 0.472 344 I N 5.586 126.376 120.570 0.366 0.000 2.297 344 I HA 0.251 4.420 4.170 -0.000 0.000 0.291 344 I C -0.668 175.547 176.117 0.162 0.000 1.033 344 I CA -0.302 61.126 61.300 0.213 0.000 1.253 344 I CB 0.720 38.812 38.000 0.154 0.000 1.396 344 I HN 0.392 nan 8.210 nan 0.000 0.476 345 L N 6.567 127.849 121.223 0.099 0.000 2.317 345 L HA 0.716 5.056 4.340 -0.000 0.000 0.281 345 L C 0.944 177.794 176.870 -0.034 0.000 1.024 345 L CA -0.135 54.723 54.840 0.031 0.000 0.810 345 L CB 1.497 43.583 42.059 0.045 0.000 1.240 345 L HN 0.900 nan 8.230 nan 0.000 0.427 346 A N 2.116 124.906 122.820 -0.049 0.000 5.295 346 A HA -0.360 3.960 4.320 -0.000 0.000 0.313 346 A C 1.652 179.239 177.584 0.004 0.000 1.912 346 A CA 1.445 53.460 52.037 -0.036 0.000 0.714 346 A CB -1.599 17.384 19.000 -0.029 0.000 1.319 346 A HN 1.076 nan 8.150 nan 0.000 0.375 347 H N 1.037 120.101 119.070 -0.010 0.000 2.456 347 H HA 0.017 4.573 4.556 -0.000 0.000 0.296 347 H C 1.675 177.022 175.328 0.032 0.000 1.079 347 H CA 1.769 57.827 56.048 0.017 0.000 1.322 347 H CB -0.354 29.425 29.762 0.029 0.000 1.388 347 H HN 0.727 nan 8.280 nan 0.000 0.538 348 K N 0.682 120.739 120.400 -0.573 0.000 2.211 348 K HA 0.043 4.363 4.320 -0.000 0.000 0.203 348 K C 2.533 179.069 176.600 -0.106 0.000 1.050 348 K CA 0.916 56.987 56.287 -0.360 0.000 0.945 348 K CB 0.053 32.369 32.500 -0.308 0.000 0.732 348 K HN 0.339 nan 8.250 nan 0.000 0.451 349 A N 1.367 124.157 122.820 -0.050 0.000 1.898 349 A HA -0.152 4.168 4.320 -0.000 0.000 0.216 349 A C 2.054 179.655 177.584 0.029 0.000 1.181 349 A CA 1.282 53.332 52.037 0.022 0.000 0.620 349 A CB -0.270 18.758 19.000 0.048 0.000 0.819 349 A HN 0.106 nan 8.150 nan 0.000 0.442 350 R N 0.079 120.597 120.500 0.029 0.000 2.073 350 R HA -0.105 4.235 4.340 -0.000 0.000 0.234 350 R C 2.328 178.650 176.300 0.037 0.000 1.134 350 R CA 1.861 57.986 56.100 0.042 0.000 0.952 350 R CB -0.345 29.991 30.300 0.060 0.000 0.850 350 R HN 0.693 nan 8.270 nan 0.000 0.433 351 K N 0.655 121.073 120.400 0.030 0.000 2.025 351 K HA -0.096 4.224 4.320 -0.000 0.000 0.207 351 K C 1.535 178.148 176.600 0.022 0.000 1.049 351 K CA 1.377 57.683 56.287 0.032 0.000 0.933 351 K CB -0.031 32.492 32.500 0.039 0.000 0.714 351 K HN 0.172 nan 8.250 nan 0.000 0.438 352 L N 0.657 121.888 121.223 0.013 0.000 2.558 352 L HA 0.129 4.469 4.340 -0.000 0.000 0.225 352 L C 2.295 179.184 176.870 0.031 0.000 1.128 352 L CA 0.272 55.124 54.840 0.019 0.000 0.868 352 L CB -0.013 42.056 42.059 0.016 0.000 1.006 352 L HN 0.231 nan 8.230 nan 0.000 0.454 353 A N 0.397 123.238 122.820 0.035 0.000 2.067 353 A HA -0.108 4.212 4.320 -0.000 0.000 0.219 353 A C 2.301 179.902 177.584 0.029 0.000 1.158 353 A CA 0.835 52.894 52.037 0.037 0.000 0.661 353 A CB -0.309 18.714 19.000 0.037 0.000 0.801 353 A HN 0.350 nan 8.150 nan 0.000 0.452 354 R N -0.619 119.896 120.500 0.025 0.000 2.235 354 R HA 0.113 4.453 4.340 -0.000 0.000 0.213 354 R C 0.121 176.432 176.300 0.018 0.000 1.059 354 R CA 0.188 56.300 56.100 0.020 0.000 0.997 354 R CB -0.420 29.892 30.300 0.019 0.000 0.884 354 R HN 0.429 nan 8.270 nan 0.000 0.462 355 L N 0.503 121.738 121.223 0.020 0.000 2.469 355 L HA 0.155 4.495 4.340 -0.000 0.000 0.253 355 L C 1.020 177.903 176.870 0.022 0.000 1.143 355 L CA -0.614 54.236 54.840 0.016 0.000 0.804 355 L CB 0.637 42.703 42.059 0.011 0.000 1.214 355 L HN 0.054 nan 8.230 nan 0.000 0.476 356 T N -3.089 111.475 114.554 0.017 0.000 2.882 356 T HA 0.141 4.491 4.350 -0.000 0.000 0.287 356 T C 0.860 175.584 174.700 0.040 0.000 1.014 356 T CA -0.679 61.436 62.100 0.025 0.000 1.049 356 T CB 1.327 70.204 68.868 0.016 0.000 1.001 356 T HN 0.657 nan 8.240 nan 0.000 0.525 357 K N 0.526 120.967 120.400 0.068 0.000 2.059 357 K HA -0.240 4.080 4.320 -0.000 0.000 0.212 357 K C 1.898 178.541 176.600 0.072 0.000 1.050 357 K CA 2.127 58.496 56.287 0.138 0.000 0.927 357 K CB -0.212 32.380 32.500 0.153 0.000 0.714 357 K HN 0.717 nan 8.250 nan 0.000 0.447 358 E N 0.540 120.751 120.200 0.019 0.000 2.150 358 E HA -0.146 4.204 4.350 -0.000 0.000 0.193 358 E C 1.793 178.345 176.600 -0.081 0.000 0.985 358 E CA 1.349 57.723 56.400 -0.043 0.000 0.814 358 E CB 0.045 29.735 29.700 -0.017 0.000 0.752 358 E HN 0.412 nan 8.360 nan 0.000 0.466 359 E N 0.193 120.364 120.200 -0.047 0.000 2.072 359 E HA -0.097 4.253 4.350 -0.000 0.000 0.191 359 E C 2.090 178.642 176.600 -0.080 0.000 0.985 359 E CA 0.660 57.029 56.400 -0.052 0.000 0.801 359 E CB 0.013 29.699 29.700 -0.023 0.000 0.750 359 E HN 0.110 nan 8.360 nan 0.000 0.452 360 R N 0.263 120.720 120.500 -0.072 0.000 2.096 360 R HA -0.137 4.203 4.340 -0.000 0.000 0.235 360 R C 2.450 178.602 176.300 -0.247 0.000 1.127 360 R CA 0.815 56.863 56.100 -0.087 0.000 0.968 360 R CB -0.307 30.011 30.300 0.030 0.000 0.861 360 R HN 0.133 nan 8.270 nan 0.000 0.440 361 L N 1.689 122.645 121.223 -0.446 0.000 2.017 361 L HA -0.193 4.147 4.340 -0.000 0.000 0.208 361 L C 2.208 178.867 176.870 -0.352 0.000 1.073 361 L CA 1.891 56.320 54.840 -0.686 0.000 0.745 361 L CB -0.450 41.125 42.059 -0.807 0.000 0.894 361 L HN -0.014 nan 8.230 nan 0.000 0.432 362 K N -0.441 119.824 120.400 -0.224 0.000 2.063 362 K HA -0.230 4.090 4.320 -0.000 0.000 0.208 362 K C 2.166 178.682 176.600 -0.139 0.000 1.048 362 K CA 1.781 57.984 56.287 -0.140 0.000 0.928 362 K CB -0.076 32.369 32.500 -0.093 0.000 0.713 362 K HN 0.353 nan 8.250 nan 0.000 0.442 363 K N 0.183 120.495 120.400 -0.147 0.000 2.057 363 K HA -0.140 4.180 4.320 -0.000 0.000 0.207 363 K C 2.111 178.577 176.600 -0.223 0.000 1.049 363 K CA 1.143 57.346 56.287 -0.140 0.000 0.931 363 K CB -0.089 32.348 32.500 -0.104 0.000 0.714 363 K HN 0.043 nan 8.250 nan 0.000 0.440 364 L N 0.712 121.746 121.223 -0.315 0.000 2.056 364 L HA -0.189 4.151 4.340 -0.000 0.000 0.207 364 L C 2.400 178.837 176.870 -0.721 0.000 1.078 364 L CA 1.479 55.955 54.840 -0.607 0.000 0.749 364 L CB -0.570 41.172 42.059 -0.528 0.000 0.901 364 L HN 0.239 nan 8.230 nan 0.000 0.433 365 C N -0.662 118.450 119.300 -0.313 0.000 2.429 365 C HA -0.150 4.310 4.460 -0.000 0.000 0.277 365 C C 2.644 177.618 174.990 -0.027 0.000 1.262 365 C CA 0.613 59.601 59.018 -0.050 0.000 1.733 365 C CB -0.750 27.007 27.740 0.028 0.000 2.010 365 C HN 0.550 nan 8.230 nan 0.000 0.483 366 E N 0.340 120.491 120.200 -0.081 0.000 2.072 366 E HA -0.215 4.135 4.350 -0.000 0.000 0.191 366 E C 2.003 178.570 176.600 -0.055 0.000 0.985 366 E CA 0.957 57.329 56.400 -0.046 0.000 0.801 366 E CB -0.308 29.364 29.700 -0.047 0.000 0.750 366 E HN 0.494 nan 8.360 nan 0.000 0.452 367 L N 0.592 121.736 121.223 -0.131 0.000 1.989 367 L HA -0.234 4.106 4.340 -0.000 0.000 0.211 367 L C 2.080 178.941 176.870 -0.015 0.000 1.071 367 L CA 1.803 56.573 54.840 -0.117 0.000 0.749 367 L CB -0.692 41.255 42.059 -0.186 0.000 0.890 367 L HN 0.212 nan 8.230 nan 0.000 0.431 368 Y N -0.806 119.477 120.300 -0.028 0.000 2.256 368 Y HA -0.252 4.298 4.550 -0.000 0.000 0.288 368 Y C 2.493 178.393 175.900 0.001 0.000 1.155 368 Y CA 0.310 58.392 58.100 -0.028 0.000 1.203 368 Y CB -0.514 37.967 38.460 0.035 0.000 0.980 368 Y HN 0.403 nan 8.280 nan 0.000 0.530 369 A N 0.607 123.528 122.820 0.167 0.000 1.930 369 A HA -0.193 4.127 4.320 -0.000 0.000 0.217 369 A C 2.080 179.700 177.584 0.060 0.000 1.175 369 A CA 1.633 53.735 52.037 0.108 0.000 0.627 369 A CB -0.409 18.631 19.000 0.067 0.000 0.815 369 A HN 0.377 nan 8.150 nan 0.000 0.443 370 K N -0.522 119.888 120.400 0.016 0.000 2.025 370 K HA -0.041 4.279 4.320 -0.000 0.000 0.207 370 K C 1.883 178.434 176.600 -0.080 0.000 1.049 370 K CA 1.436 57.714 56.287 -0.015 0.000 0.933 370 K CB -0.337 32.144 32.500 -0.031 0.000 0.714 370 K HN 0.284 nan 8.250 nan 0.000 0.438 371 V N 1.709 121.499 119.914 -0.207 0.000 2.307 371 V HA -0.188 3.932 4.120 -0.000 0.000 0.245 371 V C 2.085 178.095 176.094 -0.140 0.000 1.045 371 V CA 1.554 63.656 62.300 -0.329 0.000 1.024 371 V CB -0.378 31.238 31.823 -0.345 0.000 0.651 371 V HN 0.263 nan 8.190 nan 0.000 0.449 372 L N 0.419 121.612 121.223 -0.050 0.000 2.478 372 L HA 0.249 4.589 4.340 -0.000 0.000 0.223 372 L C 1.607 178.594 176.870 0.194 0.000 1.140 372 L CA 0.801 55.660 54.840 0.031 0.000 0.842 372 L CB -0.719 41.444 42.059 0.173 0.000 0.953 372 L HN 0.571 nan 8.230 nan 0.000 0.452 373 G N 0.836 109.713 108.800 0.128 0.000 2.314 373 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.292 373 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.292 373 G C 0.067 175.050 174.900 0.138 0.000 1.059 373 G CA 0.565 45.745 45.100 0.134 0.000 0.982 373 G HN 0.333 nan 8.290 nan 0.000 0.505 374 S N -1.121 114.650 115.700 0.118 0.000 2.614 374 S HA 0.545 5.015 4.470 -0.000 0.000 0.275 374 S C 1.204 175.778 174.600 -0.043 0.000 1.161 374 S CA -0.584 57.649 58.200 0.054 0.000 0.969 374 S CB 0.913 64.202 63.200 0.147 0.000 1.059 374 S HN 0.469 nan 8.310 nan 0.000 0.482 375 L N 3.736 124.908 121.223 -0.085 0.000 2.362 375 L HA 0.035 4.375 4.340 -0.000 0.000 0.219 375 L C 2.127 178.886 176.870 -0.185 0.000 1.134 375 L CA 0.940 55.724 54.840 -0.093 0.000 0.807 375 L CB -0.291 41.729 42.059 -0.065 0.000 0.927 375 L HN 0.707 nan 8.230 nan 0.000 0.447 376 E N 0.655 120.606 120.200 -0.416 0.000 2.268 376 E HA -0.162 4.188 4.350 -0.000 0.000 0.195 376 E C 2.233 178.458 176.600 -0.625 0.000 0.995 376 E CA 0.898 56.885 56.400 -0.688 0.000 0.836 376 E CB -0.064 28.864 29.700 -1.287 0.000 0.763 376 E HN 0.499 nan 8.360 nan 0.000 0.491 377 A N 0.609 123.175 122.820 -0.423 0.000 2.172 377 A HA -0.075 4.245 4.320 -0.000 0.000 0.216 377 A C 1.865 179.634 177.584 0.309 0.000 1.154 377 A CA 0.663 52.764 52.037 0.106 0.000 0.701 377 A CB -0.276 18.898 19.000 0.290 0.000 0.789 377 A HN 0.165 nan 8.150 nan 0.000 0.465 378 L N -1.360 119.941 121.223 0.130 0.000 2.591 378 L HA 0.118 4.458 4.340 -0.000 0.000 0.228 378 L C 0.334 177.284 176.870 0.134 0.000 1.133 378 L CA 0.313 55.222 54.840 0.114 0.000 0.880 378 L CB 0.035 42.117 42.059 0.040 0.000 1.033 378 L HN 0.208 nan 8.230 nan 0.000 0.450 379 E N 0.990 121.315 120.200 0.207 0.000 3.406 379 E HA 0.195 4.545 4.350 -0.000 0.000 0.210 379 E C -2.267 174.496 176.600 0.271 0.000 1.167 379 E CA -1.758 54.753 56.400 0.184 0.000 1.132 379 E CB 0.721 30.488 29.700 0.113 0.000 1.309 379 E HN 0.031 nan 8.360 nan 0.000 0.424 380 P HA -0.026 nan 4.420 nan 0.000 0.275 380 P C 0.780 178.118 177.300 0.063 0.000 1.228 380 P CA -0.126 62.953 63.100 -0.035 0.000 0.786 380 P CB 1.648 33.279 31.700 -0.116 0.000 0.927 381 V N -1.378 118.594 119.914 0.096 0.000 3.471 381 V HA 0.277 4.397 4.120 -0.000 0.000 0.258 381 V C 0.483 176.705 176.094 0.214 0.000 1.192 381 V CA 0.867 63.254 62.300 0.145 0.000 1.116 381 V CB -1.238 30.675 31.823 0.150 0.000 0.792 381 V HN 0.672 nan 8.190 nan 0.000 0.459 382 H N -1.236 117.901 119.070 0.111 0.000 3.024 382 H HA 0.615 5.171 4.556 -0.000 0.000 0.324 382 H C -2.288 173.245 175.328 0.343 0.000 1.347 382 H CA -0.703 55.428 56.048 0.139 0.000 1.182 382 H CB 1.955 31.693 29.762 -0.041 0.000 1.889 382 H HN 0.151 nan 8.280 nan 0.000 0.528 383 Y N 1.818 121.827 120.300 -0.484 0.000 2.441 383 Y HA 0.493 5.043 4.550 -0.000 0.000 0.334 383 Y C -1.662 174.115 175.900 -0.205 0.000 1.061 383 Y CA -0.650 57.356 58.100 -0.157 0.000 1.032 383 Y CB 1.686 40.075 38.460 -0.119 0.000 1.266 383 Y HN 0.609 nan 8.280 nan 0.000 0.441 384 E N 4.628 124.558 120.200 -0.451 0.000 2.293 384 E HA 0.395 4.745 4.350 -0.000 0.000 0.270 384 E C -1.439 174.799 176.600 -0.603 0.000 0.879 384 E CA -0.779 55.378 56.400 -0.406 0.000 0.756 384 E CB 2.696 32.405 29.700 0.016 0.000 1.208 384 E HN 0.781 nan 8.360 nan 0.000 0.428 385 E N 0.541 120.493 120.200 -0.413 0.000 2.390 385 E HA 0.652 5.002 4.350 -0.000 0.000 0.277 385 E C -1.208 175.352 176.600 -0.067 0.000 0.939 385 E CA -1.048 55.216 56.400 -0.227 0.000 0.769 385 E CB 2.613 32.172 29.700 -0.234 0.000 1.251 385 E HN 0.173 nan 8.360 nan 0.000 0.450 386 K N 1.605 122.016 120.400 0.017 0.000 2.601 386 K HA 0.262 4.582 4.320 -0.000 0.000 0.249 386 K C -1.453 175.126 176.600 -0.035 0.000 0.966 386 K CA -0.717 55.523 56.287 -0.078 0.000 0.827 386 K CB 1.401 33.811 32.500 -0.150 0.000 1.178 386 K HN 0.510 nan 8.250 nan 0.000 0.437 387 N N 4.073 122.721 118.700 -0.087 0.000 2.415 387 N HA 0.085 4.825 4.740 -0.000 0.000 0.246 387 N C -0.331 175.150 175.510 -0.048 0.000 1.078 387 N CA -0.271 52.787 53.050 0.012 0.000 0.942 387 N CB 0.358 38.856 38.487 0.019 0.000 1.140 387 N HN 0.664 nan 8.380 nan 0.000 0.501 388 W N 2.167 123.518 121.300 0.084 0.000 3.047 388 W HA 0.111 4.771 4.660 -0.000 0.000 0.250 388 W C 1.869 178.415 176.519 0.044 0.000 1.314 388 W CA -0.194 57.196 57.345 0.074 0.000 1.540 388 W CB -0.009 29.512 29.460 0.103 0.000 1.127 388 W HN 0.588 nan 8.180 nan 0.000 0.679 389 C N 0.385 119.805 119.300 0.199 0.000 2.432 389 C HA -0.133 4.327 4.460 -0.000 0.000 0.282 389 C C 2.277 177.305 174.990 0.064 0.000 1.388 389 C CA 1.293 60.381 59.018 0.118 0.000 1.777 389 C CB -1.382 26.408 27.740 0.084 0.000 1.882 389 C HN 0.482 nan 8.230 nan 0.000 0.520 390 E N 0.708 120.928 120.200 0.033 0.000 2.479 390 E HA 0.030 4.380 4.350 -0.000 0.000 0.193 390 E C -0.158 176.426 176.600 -0.027 0.000 1.049 390 E CA 0.263 56.656 56.400 -0.011 0.000 0.870 390 E CB -0.133 29.548 29.700 -0.033 0.000 0.944 390 E HN 0.493 nan 8.360 nan 0.000 0.492 391 E N 2.140 122.345 120.200 0.008 0.000 2.105 391 E HA -0.002 4.348 4.350 -0.000 0.000 0.285 391 E C 0.413 177.002 176.600 -0.019 0.000 1.055 391 E CA -0.029 56.380 56.400 0.014 0.000 0.843 391 E CB 1.556 31.327 29.700 0.118 0.000 1.067 391 E HN 0.333 nan 8.360 nan 0.000 0.398 392 Q N 2.811 122.534 119.800 -0.128 0.000 2.135 392 Q HA -0.188 4.152 4.340 -0.000 0.000 0.204 392 Q C 0.351 176.101 176.000 -0.417 0.000 0.981 392 Q CA 1.619 57.219 55.803 -0.340 0.000 0.856 392 Q CB 0.118 28.516 28.738 -0.566 0.000 0.902 392 Q HN 0.595 nan 8.270 nan 0.000 0.425 393 Y N -1.251 119.080 120.300 0.051 0.000 2.524 393 Y HA 0.254 4.804 4.550 -0.000 0.000 0.266 393 Y C 1.548 177.508 175.900 0.100 0.000 1.180 393 Y CA -0.311 57.826 58.100 0.063 0.000 1.244 393 Y CB 0.950 39.438 38.460 0.047 0.000 1.125 393 Y HN 0.064 nan 8.280 nan 0.000 0.524 394 S N -1.505 114.322 115.700 0.211 0.000 2.891 394 S HA 0.299 4.769 4.470 -0.000 0.000 0.247 394 S C 1.800 176.481 174.600 0.135 0.000 1.063 394 S CA 0.579 58.908 58.200 0.215 0.000 0.857 394 S CB 0.515 63.926 63.200 0.352 0.000 0.800 394 S HN 0.505 nan 8.310 nan 0.000 0.540 395 G N 1.001 109.864 108.800 0.105 0.000 2.175 395 G HA2 0.145 4.105 3.960 -0.000 0.000 0.244 395 G HA3 0.145 4.105 3.960 -0.000 0.000 0.244 395 G C 0.495 175.438 174.900 0.071 0.000 0.982 395 G CA 0.049 45.179 45.100 0.050 0.000 0.641 395 G HN 1.386 nan 8.290 nan 0.000 0.527 396 G N -2.339 106.544 108.800 0.138 0.000 2.340 396 G HA2 0.497 4.457 3.960 -0.000 0.000 0.282 396 G HA3 0.497 4.457 3.960 -0.000 0.000 0.282 396 G C -0.860 174.118 174.900 0.130 0.000 1.312 396 G CA 0.267 45.454 45.100 0.145 0.000 0.942 396 G HN 1.522 nan 8.290 nan 0.000 0.495 397 C N -1.576 117.752 119.300 0.046 0.000 3.285 397 C HA 0.610 5.070 4.460 -0.000 0.000 0.325 397 C C 0.779 175.624 174.990 -0.241 0.000 1.304 397 C CA -0.632 58.345 59.018 -0.068 0.000 1.319 397 C CB 0.809 28.424 27.740 -0.209 0.000 1.640 397 C HN 0.734 nan 8.230 nan 0.000 0.477 398 Y N 0.604 120.837 120.300 -0.112 0.000 2.337 398 Y HA 0.242 4.792 4.550 -0.000 0.000 0.293 398 Y C 1.568 177.437 175.900 -0.051 0.000 1.123 398 Y CA 1.086 59.090 58.100 -0.159 0.000 1.201 398 Y CB -0.415 37.922 38.460 -0.204 0.000 1.011 398 Y HN 0.679 nan 8.280 nan 0.000 0.545 399 T N -1.831 112.808 114.554 0.141 0.000 2.671 399 T HA 0.348 4.698 4.350 -0.000 0.000 0.300 399 T C -0.838 173.975 174.700 0.188 0.000 1.238 399 T CA -0.705 61.524 62.100 0.214 0.000 1.020 399 T CB 1.066 70.158 68.868 0.375 0.000 1.503 399 T HN -0.150 nan 8.240 nan 0.000 0.497 400 T N 2.728 117.416 114.554 0.222 0.000 2.814 400 T HA 0.468 4.818 4.350 -0.000 0.000 0.297 400 T C -0.789 173.961 174.700 0.084 0.000 0.956 400 T CA 0.038 62.177 62.100 0.065 0.000 1.123 400 T CB -0.458 68.441 68.868 0.051 0.000 0.902 400 T HN 0.466 nan 8.240 nan 0.000 0.528 401 Y N 1.177 121.280 120.300 -0.329 0.000 2.496 401 Y HA 0.789 5.338 4.550 -0.000 0.000 0.331 401 Y C -1.236 174.116 175.900 -0.913 0.000 1.140 401 Y CA -2.240 55.288 58.100 -0.953 0.000 1.166 401 Y CB 0.727 38.751 38.460 -0.727 0.000 1.249 401 Y HN 0.395 nan 8.280 nan 0.000 0.479 402 F N 3.385 122.564 119.950 -1.285 0.000 2.402 402 F HA 0.563 5.090 4.527 -0.000 0.000 0.355 402 F C -2.296 173.403 175.800 -0.169 0.000 1.123 402 F CA -2.784 54.850 58.000 -0.610 0.000 1.021 402 F CB 1.467 40.169 39.000 -0.495 0.000 1.160 402 F HN 0.370 nan 8.300 nan 0.000 0.451 403 P HA 0.121 nan 4.420 nan 0.000 0.273 403 P C -2.551 174.842 177.300 0.156 0.000 1.250 403 P CA -1.192 61.982 63.100 0.123 0.000 0.793 403 P CB -0.150 31.575 31.700 0.040 0.000 1.011 404 P HA -0.021 nan 4.420 nan 0.000 0.265 404 P C 0.877 178.264 177.300 0.144 0.000 1.193 404 P CA 1.159 64.355 63.100 0.160 0.000 0.765 404 P CB -0.008 31.769 31.700 0.129 0.000 0.823 405 G N 2.753 111.652 108.800 0.165 0.000 2.217 405 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.246 405 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.246 405 G C 0.800 175.814 174.900 0.191 0.000 0.990 405 G CA 0.121 45.310 45.100 0.149 0.000 0.627 405 G HN 0.428 nan 8.290 nan 0.000 0.522 406 I N 0.212 120.927 120.570 0.241 0.000 2.339 406 I HA 0.161 4.331 4.170 -0.000 0.000 0.245 406 I C 2.642 179.010 176.117 0.418 0.000 1.096 406 I CA 1.290 62.791 61.300 0.335 0.000 1.408 406 I CB -1.297 36.823 38.000 0.200 0.000 1.092 406 I HN 0.268 nan 8.210 nan 0.000 0.423 407 L N 1.191 122.652 121.223 0.397 0.000 2.042 407 L HA -0.216 4.124 4.340 -0.000 0.000 0.210 407 L C 2.650 179.608 176.870 0.148 0.000 1.076 407 L CA 2.565 57.513 54.840 0.179 0.000 0.749 407 L CB -0.986 41.078 42.059 0.009 0.000 0.893 407 L HN 0.447 nan 8.230 nan 0.000 0.432 408 T N -4.324 110.322 114.554 0.153 0.000 2.857 408 T HA -0.143 4.207 4.350 -0.000 0.000 0.266 408 T C 1.806 176.478 174.700 -0.047 0.000 1.048 408 T CA 0.921 63.082 62.100 0.101 0.000 1.139 408 T CB -0.327 68.601 68.868 0.100 0.000 0.874 408 T HN 0.343 nan 8.240 nan 0.000 0.455 409 Q N -0.068 119.699 119.800 -0.056 0.000 2.212 409 Q HA 0.117 4.457 4.340 -0.000 0.000 0.199 409 Q C 0.981 176.647 176.000 -0.556 0.000 0.950 409 Q CA 1.150 56.769 55.803 -0.307 0.000 0.863 409 Q CB 0.012 28.557 28.738 -0.323 0.000 0.944 409 Q HN 0.784 nan 8.270 nan 0.000 0.465 410 Y N -1.858 118.386 120.300 -0.093 0.000 2.499 410 Y HA 0.273 4.823 4.550 -0.000 0.000 0.253 410 Y C 1.953 177.744 175.900 -0.181 0.000 1.105 410 Y CA 0.046 58.072 58.100 -0.125 0.000 1.240 410 Y CB 0.275 38.698 38.460 -0.061 0.000 1.289 410 Y HN 0.071 nan 8.280 nan 0.000 0.534 411 G N 1.675 110.402 108.800 -0.121 0.000 2.440 411 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.218 411 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.218 411 G C 1.766 176.235 174.900 -0.718 0.000 1.154 411 G CA 1.145 46.090 45.100 -0.259 0.000 0.767 411 G HN 0.391 nan 8.290 nan 0.000 0.552 412 R N 0.815 120.545 120.500 -1.282 0.000 2.280 412 R HA 0.040 4.380 4.340 -0.000 0.000 0.207 412 R C 2.229 178.284 176.300 -0.407 0.000 1.043 412 R CA 1.432 56.851 56.100 -1.136 0.000 1.006 412 R CB -0.748 28.853 30.300 -1.165 0.000 0.885 412 R HN 0.525 nan 8.270 nan 0.000 0.467 413 V N -1.076 118.658 119.914 -0.300 0.000 3.129 413 V HA 0.000 4.120 4.120 -0.000 0.000 0.259 413 V C 2.101 178.084 176.094 -0.184 0.000 1.116 413 V CA 0.547 62.735 62.300 -0.188 0.000 1.127 413 V CB -0.437 31.298 31.823 -0.148 0.000 0.742 413 V HN 0.155 nan 8.190 nan 0.000 0.474 414 L N 1.395 122.544 121.223 -0.123 0.000 2.010 414 L HA -0.209 4.131 4.340 -0.000 0.000 0.219 414 L C 2.869 179.670 176.870 -0.115 0.000 1.077 414 L CA 2.872 57.661 54.840 -0.084 0.000 0.773 414 L CB -0.384 41.730 42.059 0.091 0.000 0.892 414 L HN 0.533 nan 8.230 nan 0.000 0.436 415 R N -0.559 119.975 120.500 0.056 0.000 2.546 415 R HA 0.156 4.496 4.340 -0.000 0.000 0.320 415 R C 0.510 176.945 176.300 0.225 0.000 1.021 415 R CA -0.229 55.992 56.100 0.203 0.000 1.088 415 R CB -0.068 30.415 30.300 0.306 0.000 1.278 415 R HN 0.229 nan 8.270 nan 0.000 0.557 416 Q N 2.682 122.536 119.800 0.090 0.000 2.286 416 Q HA 0.203 4.543 4.340 -0.000 0.000 0.267 416 Q C -2.121 173.970 176.000 0.152 0.000 1.028 416 Q CA -2.138 53.717 55.803 0.088 0.000 0.901 416 Q CB 0.890 29.626 28.738 -0.004 0.000 1.183 416 Q HN 0.042 nan 8.270 nan 0.000 0.392 417 P HA -0.022 nan 4.420 nan 0.000 0.268 417 P C -1.241 176.051 177.300 -0.014 0.000 1.204 417 P CA -0.097 62.948 63.100 -0.091 0.000 0.768 417 P CB 0.721 32.083 31.700 -0.564 0.000 0.842 418 V N 3.685 123.631 119.914 0.053 0.000 2.288 418 V HA 0.116 4.236 4.120 -0.000 0.000 0.266 418 V C 0.872 176.935 176.094 -0.051 0.000 1.048 418 V CA 0.190 62.503 62.300 0.023 0.000 0.842 418 V CB -0.146 31.727 31.823 0.085 0.000 1.064 418 V HN 0.762 nan 8.190 nan 0.000 0.472 419 D N 4.257 124.626 120.400 -0.052 0.000 4.334 419 D HA -0.319 4.321 4.640 -0.000 0.000 0.183 419 D C 1.384 177.669 176.300 -0.024 0.000 0.667 419 D CA 2.485 56.470 54.000 -0.025 0.000 1.106 419 D CB -0.274 40.524 40.800 -0.003 0.000 0.544 419 D HN 0.579 nan 8.370 nan 0.000 0.458 420 R N -0.170 120.343 120.500 0.022 0.000 2.468 420 R HA 0.440 4.780 4.340 -0.000 0.000 0.280 420 R C -0.200 176.211 176.300 0.185 0.000 0.963 420 R CA -0.165 56.042 56.100 0.178 0.000 1.083 420 R CB 0.386 30.713 30.300 0.044 0.000 1.200 420 R HN 0.294 nan 8.270 nan 0.000 0.541 421 I N 1.293 121.825 120.570 -0.065 0.000 2.315 421 I HA 0.203 4.373 4.170 -0.000 0.000 0.291 421 I C -0.543 175.259 176.117 -0.526 0.000 1.006 421 I CA -0.624 60.551 61.300 -0.209 0.000 1.265 421 I CB 0.592 38.427 38.000 -0.275 0.000 1.387 421 I HN -0.082 nan 8.210 nan 0.000 0.475 422 Y N 5.432 125.506 120.300 -0.377 0.000 2.457 422 Y HA 0.544 5.094 4.550 -0.000 0.000 0.333 422 Y C -0.490 175.107 175.900 -0.505 0.000 1.119 422 Y CA -0.692 57.226 58.100 -0.302 0.000 1.143 422 Y CB 1.414 39.808 38.460 -0.109 0.000 1.230 422 Y HN 0.285 nan 8.280 nan 0.000 0.469 423 F N 1.242 121.299 119.950 0.179 0.000 2.427 423 F HA 0.716 5.243 4.527 -0.000 0.000 0.348 423 F C 0.354 176.231 175.800 0.128 0.000 1.125 423 F CA -0.555 57.524 58.000 0.131 0.000 0.989 423 F CB 1.157 40.217 39.000 0.101 0.000 1.165 423 F HN 0.596 nan 8.300 nan 0.000 0.442 424 A N 2.191 125.163 122.820 0.254 0.000 3.521 424 A HA 0.973 5.293 4.320 -0.000 0.000 0.181 424 A C 0.256 177.970 177.584 0.217 0.000 1.386 424 A CA -0.498 51.653 52.037 0.189 0.000 0.873 424 A CB 0.270 19.336 19.000 0.110 0.000 1.634 424 A HN 1.513 nan 8.150 nan 0.000 0.551 425 G N -2.325 106.581 108.800 0.177 0.000 2.785 425 G HA2 0.119 4.079 3.960 -0.000 0.000 0.686 425 G HA3 0.119 4.079 3.960 -0.000 0.000 0.686 425 G C 0.429 175.459 174.900 0.216 0.000 1.155 425 G CA 0.641 45.854 45.100 0.188 0.000 0.760 425 G HN 1.625 nan 8.290 nan 0.000 0.624 426 T N 0.238 114.921 114.554 0.214 0.000 2.822 426 T HA -0.126 4.224 4.350 -0.000 0.000 0.270 426 T C 2.090 176.988 174.700 0.330 0.000 1.064 426 T CA 2.734 64.986 62.100 0.253 0.000 1.131 426 T CB -0.168 68.844 68.868 0.240 0.000 0.858 426 T HN 0.625 nan 8.240 nan 0.000 0.483 427 E N 0.428 120.831 120.200 0.339 0.000 2.265 427 E HA -0.057 4.293 4.350 -0.000 0.000 0.196 427 E C 2.230 179.089 176.600 0.432 0.000 0.996 427 E CA 1.527 58.180 56.400 0.422 0.000 0.832 427 E CB -0.162 29.753 29.700 0.358 0.000 0.756 427 E HN 0.718 nan 8.360 nan 0.000 0.491 428 T N -2.658 112.113 114.554 0.361 0.000 3.086 428 T HA 0.472 4.822 4.350 -0.000 0.000 0.250 428 T C 0.765 175.704 174.700 0.399 0.000 1.074 428 T CA -0.011 62.303 62.100 0.358 0.000 0.988 428 T CB 0.233 69.288 68.868 0.311 0.000 0.988 428 T HN 0.090 nan 8.240 nan 0.000 0.530 429 A N 1.687 124.746 122.820 0.397 0.000 2.346 429 A HA 0.553 4.873 4.320 -0.000 0.000 0.252 429 A C 1.520 179.374 177.584 0.450 0.000 1.089 429 A CA 0.106 52.380 52.037 0.395 0.000 0.797 429 A CB 0.389 19.577 19.000 0.314 0.000 1.047 429 A HN 0.501 nan 8.150 nan 0.000 0.494 430 T N -2.561 112.238 114.554 0.409 0.000 3.010 430 T HA 0.231 4.581 4.350 -0.000 0.000 0.257 430 T C 0.276 175.085 174.700 0.181 0.000 1.020 430 T CA 0.719 63.012 62.100 0.321 0.000 0.938 430 T CB -0.364 68.628 68.868 0.207 0.000 1.049 430 T HN 0.760 nan 8.240 nan 0.000 0.522 431 H N -1.165 117.937 119.070 0.053 0.000 2.934 431 H HA 0.281 4.837 4.556 -0.000 0.000 0.340 431 H C -1.009 174.339 175.328 0.033 0.000 1.008 431 H CA -1.148 54.853 56.048 -0.079 0.000 1.317 431 H CB 0.936 30.705 29.762 0.012 0.000 1.670 431 H HN 0.295 nan 8.280 nan 0.000 0.516 432 W N 2.319 123.394 121.300 -0.376 0.000 5.538 432 W HA -0.250 4.410 4.660 0.000 0.000 0.377 432 W C 0.457 176.893 176.519 -0.139 0.000 1.406 432 W CA 0.974 58.037 57.345 -0.469 0.000 0.940 432 W CB -1.606 27.499 29.460 -0.592 0.000 2.536 432 W HN 0.410 nan 8.180 nan 0.000 1.504 433 S N 0.579 116.298 115.700 0.033 0.000 2.546 433 S HA 0.381 4.851 4.470 -0.000 0.000 0.290 433 S C 1.369 176.157 174.600 0.313 0.000 1.290 433 S CA 1.666 59.994 58.200 0.214 0.000 1.069 433 S CB 0.747 64.129 63.200 0.303 0.000 0.846 433 S HN 1.390 nan 8.310 nan 0.000 0.495 434 G N 3.226 112.295 108.800 0.449 0.000 2.218 434 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.216 434 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.216 434 G C -0.230 174.819 174.900 0.248 0.000 0.994 434 G CA 0.142 45.528 45.100 0.477 0.000 0.637 434 G HN 0.678 nan 8.290 nan 0.000 0.505 435 Y N -0.404 120.010 120.300 0.190 0.000 2.602 435 Y HA 0.719 5.269 4.550 -0.000 0.000 0.330 435 Y C 1.990 177.933 175.900 0.071 0.000 1.114 435 Y CA -0.788 57.378 58.100 0.110 0.000 1.182 435 Y CB 0.812 39.325 38.460 0.090 0.000 1.305 435 Y HN -0.030 nan 8.280 nan 0.000 0.502 436 M N -0.091 119.615 119.600 0.177 0.000 2.149 436 M HA -0.204 4.276 4.480 -0.000 0.000 0.261 436 M C 1.806 178.167 176.300 0.102 0.000 1.064 436 M CA 1.904 57.274 55.300 0.116 0.000 1.102 436 M CB -0.206 32.458 32.600 0.106 0.000 1.369 436 M HN 0.771 nan 8.290 nan 0.000 0.408 437 E N 0.685 120.927 120.200 0.070 0.000 2.058 437 E HA -0.140 4.210 4.350 -0.000 0.000 0.194 437 E C 1.958 178.616 176.600 0.096 0.000 0.997 437 E CA 2.010 58.416 56.400 0.009 0.000 0.801 437 E CB -0.662 28.921 29.700 -0.195 0.000 0.746 437 E HN 0.420 nan 8.360 nan 0.000 0.450 438 G N 0.002 108.908 108.800 0.177 0.000 2.432 438 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.219 438 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.219 438 G C 1.685 176.695 174.900 0.184 0.000 1.135 438 G CA 1.000 46.225 45.100 0.209 0.000 0.767 438 G HN 0.463 nan 8.290 nan 0.000 0.550 439 A N 0.266 123.182 122.820 0.161 0.000 1.902 439 A HA 0.069 4.389 4.320 -0.000 0.000 0.217 439 A C 2.605 180.247 177.584 0.097 0.000 1.181 439 A CA 1.831 53.947 52.037 0.131 0.000 0.623 439 A CB -0.609 18.458 19.000 0.112 0.000 0.818 439 A HN 0.248 nan 8.150 nan 0.000 0.443 440 V N 0.149 120.112 119.914 0.080 0.000 2.295 440 V HA -0.266 3.854 4.120 -0.000 0.000 0.246 440 V C 2.554 178.682 176.094 0.058 0.000 1.049 440 V CA 2.230 64.563 62.300 0.055 0.000 1.024 440 V CB -0.789 31.059 31.823 0.042 0.000 0.648 440 V HN 0.729 nan 8.190 nan 0.000 0.447 441 E N 0.432 120.685 120.200 0.088 0.000 2.058 441 E HA -0.275 4.075 4.350 -0.000 0.000 0.194 441 E C 2.233 178.865 176.600 0.053 0.000 0.997 441 E CA 1.778 58.237 56.400 0.098 0.000 0.801 441 E CB -0.176 29.630 29.700 0.178 0.000 0.746 441 E HN 0.547 nan 8.360 nan 0.000 0.450 442 A N 0.631 123.505 122.820 0.091 0.000 1.930 442 A HA -0.039 4.281 4.320 -0.000 0.000 0.217 442 A C 2.405 180.005 177.584 0.028 0.000 1.175 442 A CA 1.621 53.702 52.037 0.075 0.000 0.627 442 A CB -0.969 18.125 19.000 0.158 0.000 0.815 442 A HN 0.442 nan 8.150 nan 0.000 0.443 443 G N -0.287 108.535 108.800 0.037 0.000 2.421 443 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.216 443 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.216 443 G C 1.443 176.326 174.900 -0.027 0.000 1.171 443 G CA 0.988 46.097 45.100 0.015 0.000 0.775 443 G HN 0.643 nan 8.290 nan 0.000 0.543 444 E N -0.226 119.953 120.200 -0.035 0.000 2.072 444 E HA -0.067 4.283 4.350 -0.000 0.000 0.191 444 E C 2.584 179.108 176.600 -0.127 0.000 0.985 444 E CA 0.252 56.615 56.400 -0.062 0.000 0.801 444 E CB -0.119 29.560 29.700 -0.036 0.000 0.750 444 E HN 0.193 nan 8.360 nan 0.000 0.452 445 R N 1.301 121.686 120.500 -0.191 0.000 2.073 445 R HA -0.113 4.227 4.340 -0.000 0.000 0.234 445 R C 2.127 178.252 176.300 -0.293 0.000 1.134 445 R CA 1.585 57.461 56.100 -0.374 0.000 0.952 445 R CB -0.405 29.484 30.300 -0.684 0.000 0.850 445 R HN 0.156 nan 8.270 nan 0.000 0.433 446 A N 0.692 123.411 122.820 -0.169 0.000 1.933 446 A HA -0.059 4.261 4.320 -0.000 0.000 0.218 446 A C 2.392 179.877 177.584 -0.164 0.000 1.175 446 A CA 1.760 53.743 52.037 -0.090 0.000 0.628 446 A CB -0.620 18.387 19.000 0.011 0.000 0.814 446 A HN 0.521 nan 8.150 nan 0.000 0.444 447 A N -0.178 122.553 122.820 -0.148 0.000 1.898 447 A HA -0.142 4.178 4.320 -0.000 0.000 0.216 447 A C 2.245 179.706 177.584 -0.205 0.000 1.181 447 A CA 1.438 53.378 52.037 -0.162 0.000 0.620 447 A CB -0.420 18.519 19.000 -0.101 0.000 0.819 447 A HN 0.538 nan 8.150 nan 0.000 0.442 448 R N -0.450 119.938 120.500 -0.187 0.000 2.148 448 R HA -0.056 4.284 4.340 -0.000 0.000 0.223 448 R C 1.996 178.185 176.300 -0.184 0.000 1.088 448 R CA 1.121 57.120 56.100 -0.168 0.000 0.985 448 R CB -0.235 29.975 30.300 -0.149 0.000 0.880 448 R HN 0.663 nan 8.270 nan 0.000 0.451 449 E N 0.778 120.836 120.200 -0.238 0.000 2.085 449 E HA -0.203 4.147 4.350 -0.000 0.000 0.194 449 E C 1.976 178.293 176.600 -0.472 0.000 0.994 449 E CA 1.200 57.460 56.400 -0.232 0.000 0.801 449 E CB -0.100 29.507 29.700 -0.155 0.000 0.743 449 E HN 0.324 nan 8.360 nan 0.000 0.453 450 I N 0.967 121.100 120.570 -0.727 0.000 2.252 450 I HA -0.278 3.892 4.170 -0.000 0.000 0.245 450 I C 2.358 178.139 176.117 -0.561 0.000 1.102 450 I CA 0.849 61.597 61.300 -0.920 0.000 1.385 450 I CB -0.167 37.322 38.000 -0.851 0.000 1.064 450 I HN 0.113 nan 8.210 nan 0.000 0.414 451 L N -0.065 120.964 121.223 -0.324 0.000 2.042 451 L HA -0.290 4.050 4.340 -0.000 0.000 0.210 451 L C 2.729 179.530 176.870 -0.114 0.000 1.076 451 L CA 1.657 56.388 54.840 -0.181 0.000 0.749 451 L CB -0.882 41.108 42.059 -0.114 0.000 0.893 451 L HN 0.371 nan 8.230 nan 0.000 0.432 452 H N 0.027 118.990 119.070 -0.179 0.000 2.357 452 H HA -0.075 4.481 4.556 -0.000 0.000 0.301 452 H C 2.111 177.382 175.328 -0.094 0.000 1.082 452 H CA 1.341 57.326 56.048 -0.106 0.000 1.342 452 H CB 0.051 29.770 29.762 -0.071 0.000 1.389 452 H HN 0.244 nan 8.280 nan 0.000 0.511 453 A N 0.519 123.153 122.820 -0.311 0.000 1.978 453 A HA -0.153 4.167 4.320 -0.000 0.000 0.220 453 A C 2.240 179.726 177.584 -0.164 0.000 1.170 453 A CA 1.794 53.672 52.037 -0.266 0.000 0.636 453 A CB -0.625 18.211 19.000 -0.275 0.000 0.810 453 A HN 0.567 nan 8.150 nan 0.000 0.448 454 M N -1.470 118.019 119.600 -0.186 0.000 2.561 454 M HA 0.170 4.650 4.480 -0.000 0.000 0.238 454 M C 1.333 177.596 176.300 -0.060 0.000 1.131 454 M CA 0.718 55.981 55.300 -0.061 0.000 1.046 454 M CB 0.209 32.774 32.600 -0.059 0.000 1.532 454 M HN 0.615 nan 8.290 nan 0.000 0.497 455 G N 1.229 109.962 108.800 -0.111 0.000 2.148 455 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.254 455 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.254 455 G C 0.869 175.755 174.900 -0.023 0.000 0.981 455 G CA 0.585 45.642 45.100 -0.072 0.000 0.670 455 G HN 0.468 nan 8.290 nan 0.000 0.528 456 K N -0.455 119.930 120.400 -0.025 0.000 2.243 456 K HA 0.329 4.649 4.320 -0.000 0.000 0.201 456 K C 1.348 177.955 176.600 0.012 0.000 1.051 456 K CA 1.274 57.555 56.287 -0.011 0.000 0.970 456 K CB 0.231 32.714 32.500 -0.029 0.000 0.755 456 K HN 0.799 nan 8.250 nan 0.000 0.465 457 I N -1.802 118.793 120.570 0.042 0.000 2.828 457 I HA 0.457 4.627 4.170 -0.000 0.000 0.302 457 I C -2.932 173.277 176.117 0.153 0.000 1.101 457 I CA -3.104 58.234 61.300 0.064 0.000 1.031 457 I CB 2.259 40.276 38.000 0.028 0.000 1.231 457 I HN -0.253 nan 8.210 nan 0.000 0.427 458 P HA 0.077 nan 4.420 nan 0.000 0.272 458 P C 0.238 177.489 177.300 -0.081 0.000 1.230 458 P CA 0.030 63.184 63.100 0.090 0.000 0.788 458 P CB 1.022 32.746 31.700 0.041 0.000 0.949 459 E N 0.803 120.830 120.200 -0.289 0.000 2.171 459 E HA -0.244 4.106 4.350 -0.000 0.000 0.197 459 E C 1.156 177.638 176.600 -0.196 0.000 0.997 459 E CA 1.481 57.538 56.400 -0.572 0.000 0.810 459 E CB -0.105 29.373 29.700 -0.371 0.000 0.738 459 E HN 0.496 nan 8.360 nan 0.000 0.467 460 D N -0.163 120.192 120.400 -0.075 0.000 2.363 460 D HA -0.138 4.502 4.640 -0.000 0.000 0.226 460 D C 0.831 177.146 176.300 0.025 0.000 1.020 460 D CA 0.604 54.604 54.000 0.000 0.000 0.892 460 D CB -0.098 40.708 40.800 0.009 0.000 0.900 460 D HN 0.293 nan 8.370 nan 0.000 0.531 461 E N -0.349 119.848 120.200 -0.006 0.000 2.481 461 E HA 0.205 4.555 4.350 -0.000 0.000 0.198 461 E C 1.816 178.409 176.600 -0.010 0.000 1.027 461 E CA -0.281 56.123 56.400 0.007 0.000 0.900 461 E CB 0.408 30.107 29.700 -0.001 0.000 0.993 461 E HN 0.309 nan 8.360 nan 0.000 0.482 462 I N -0.129 120.426 120.570 -0.024 0.000 2.252 462 I HA -0.157 4.013 4.170 -0.000 0.000 0.245 462 I C 0.361 176.356 176.117 -0.203 0.000 1.102 462 I CA 1.047 62.276 61.300 -0.117 0.000 1.385 462 I CB 0.161 38.095 38.000 -0.110 0.000 1.064 462 I HN 0.106 nan 8.210 nan 0.000 0.414 463 W N 1.660 122.959 121.300 -0.000 0.000 2.294 463 W HA 0.469 5.129 4.660 -0.000 0.000 0.314 463 W C 0.080 176.607 176.519 0.014 0.000 1.044 463 W CA -0.294 57.063 57.345 0.019 0.000 1.284 463 W CB 0.605 30.079 29.460 0.024 0.000 1.231 463 W HN -0.075 nan 8.180 nan 0.000 0.419 464 Q N 2.646 122.558 119.800 0.186 0.000 2.337 464 Q HA 0.453 4.793 4.340 -0.000 0.000 0.266 464 Q C 0.267 176.345 176.000 0.129 0.000 1.023 464 Q CA -0.493 55.382 55.803 0.121 0.000 0.829 464 Q CB 1.708 30.482 28.738 0.060 0.000 1.306 464 Q HN 0.542 nan 8.270 nan 0.000 0.449 465 S N 2.351 118.112 115.700 0.102 0.000 2.600 465 S HA 0.296 4.766 4.470 -0.000 0.000 0.265 465 S C -0.268 174.378 174.600 0.077 0.000 1.325 465 S CA -0.616 57.638 58.200 0.090 0.000 1.002 465 S CB 1.424 64.661 63.200 0.063 0.000 0.921 465 S HN 0.663 nan 8.310 nan 0.000 0.554 466 E N 0.982 121.229 120.200 0.079 0.000 2.199 466 E HA 0.574 4.924 4.350 -0.000 0.000 0.265 466 E C -2.787 173.846 176.600 0.055 0.000 0.882 466 E CA -2.154 54.287 56.400 0.067 0.000 0.759 466 E CB 0.989 30.737 29.700 0.079 0.000 1.148 466 E HN 0.536 nan 8.360 nan 0.000 0.412 467 P HA 0.085 nan 4.420 nan 0.000 0.268 467 P C -0.761 176.560 177.300 0.033 0.000 1.205 467 P CA -0.226 62.893 63.100 0.033 0.000 0.771 467 P CB 0.544 32.259 31.700 0.025 0.000 0.858 468 E N 1.666 121.884 120.200 0.031 0.000 2.414 468 E HA 0.078 4.428 4.350 -0.000 0.000 0.263 468 E C -0.101 176.511 176.600 0.020 0.000 1.000 468 E CA -0.277 56.140 56.400 0.028 0.000 0.914 468 E CB 0.404 30.119 29.700 0.026 0.000 0.948 468 E HN 0.377 nan 8.360 nan 0.000 0.444 469 S N 2.925 118.635 115.700 0.015 0.000 2.546 469 S HA -0.053 4.417 4.470 -0.000 0.000 0.290 469 S C 1.188 175.794 174.600 0.009 0.000 1.290 469 S CA -0.062 58.144 58.200 0.011 0.000 1.069 469 S CB 0.809 64.010 63.200 0.002 0.000 0.846 469 S HN 0.535 nan 8.310 nan 0.000 0.495 470 V N 2.166 122.087 119.914 0.011 0.000 2.719 470 V HA 0.031 4.151 4.120 -0.000 0.000 0.252 470 V C 1.585 177.684 176.094 0.008 0.000 1.065 470 V CA 1.541 63.847 62.300 0.010 0.000 1.086 470 V CB -0.620 31.209 31.823 0.011 0.000 0.700 470 V HN 0.836 nan 8.190 nan 0.000 0.467 471 D N 1.269 121.675 120.400 0.009 0.000 2.162 471 D HA 0.026 4.666 4.640 -0.000 0.000 0.203 471 D C 0.894 177.191 176.300 -0.004 0.000 0.967 471 D CA 1.517 55.522 54.000 0.008 0.000 0.840 471 D CB 0.418 41.227 40.800 0.015 0.000 0.972 471 D HN 0.527 nan 8.370 nan 0.000 0.482 472 V N 3.556 123.463 119.914 -0.012 0.000 2.326 472 V HA 0.204 4.324 4.120 -0.000 0.000 0.254 472 V C -2.369 173.713 176.094 -0.020 0.000 1.022 472 V CA -1.278 61.005 62.300 -0.028 0.000 1.074 472 V CB 0.962 32.750 31.823 -0.058 0.000 1.305 472 V HN -0.028 nan 8.190 nan 0.000 0.506 473 P HA 0.389 nan 4.420 nan 0.000 0.274 473 P C -0.322 176.977 177.300 -0.001 0.000 1.231 473 P CA 0.015 63.114 63.100 -0.001 0.000 0.790 473 P CB 1.555 33.257 31.700 0.002 0.000 0.951 474 A N 2.851 125.676 122.820 0.009 0.000 2.301 474 A HA 0.373 4.693 4.320 -0.000 0.000 0.298 474 A C 0.119 177.710 177.584 0.011 0.000 1.185 474 A CA -0.415 51.630 52.037 0.014 0.000 0.830 474 A CB 0.147 19.168 19.000 0.034 0.000 1.112 474 A HN 0.429 nan 8.150 nan 0.000 0.508 475 Q N 2.296 122.100 119.800 0.007 0.000 2.230 475 Q HA 0.423 4.763 4.340 -0.000 0.000 0.253 475 Q C -2.356 173.648 176.000 0.006 0.000 0.919 475 Q CA -2.147 53.659 55.803 0.005 0.000 0.908 475 Q CB 0.920 29.658 28.738 0.001 0.000 1.245 475 Q HN 0.557 nan 8.270 nan 0.000 0.437 476 P HA 0.098 nan 4.420 nan 0.000 0.268 476 P C -0.315 176.987 177.300 0.003 0.000 1.208 476 P CA -0.166 62.935 63.100 0.002 0.000 0.777 476 P CB 0.678 32.379 31.700 0.001 0.000 0.875 477 I N 2.397 122.966 120.570 -0.002 0.000 2.352 477 I HA 0.150 4.320 4.170 -0.000 0.000 0.290 477 I C 1.132 177.250 176.117 0.002 0.000 1.036 477 I CA 0.103 61.404 61.300 0.001 0.000 1.336 477 I CB 0.156 38.151 38.000 -0.009 0.000 1.407 477 I HN 0.384 nan 8.210 nan 0.000 0.497 478 T N 2.107 116.671 114.554 0.016 0.000 2.888 478 T HA 0.748 5.098 4.350 -0.000 0.000 0.284 478 T C 0.108 174.819 174.700 0.020 0.000 1.017 478 T CA -0.699 61.412 62.100 0.018 0.000 1.022 478 T CB 2.000 70.884 68.868 0.027 0.000 1.013 478 T HN 0.641 nan 8.240 nan 0.000 0.465 479 T N -0.897 113.660 114.554 0.005 0.000 2.932 479 T HA 0.738 5.088 4.350 -0.000 0.000 0.289 479 T C 0.359 175.071 174.700 0.020 0.000 1.039 479 T CA -0.729 61.365 62.100 -0.010 0.000 1.024 479 T CB 1.372 70.206 68.868 -0.057 0.000 1.090 479 T HN 0.980 nan 8.240 nan 0.000 0.496 480 T N -0.661 113.908 114.554 0.025 0.000 2.912 480 T HA 0.439 4.789 4.350 -0.000 0.000 0.280 480 T C 0.810 175.579 174.700 0.116 0.000 0.989 480 T CA -0.884 61.268 62.100 0.085 0.000 0.995 480 T CB 0.787 69.711 68.868 0.093 0.000 1.077 480 T HN 0.513 nan 8.240 nan 0.000 0.531 481 F N 0.815 120.802 119.950 0.063 0.000 2.069 481 F HA -0.027 4.500 4.527 -0.000 0.000 0.298 481 F C 2.013 177.907 175.800 0.156 0.000 1.113 481 F CA 1.514 59.597 58.000 0.137 0.000 1.214 481 F CB -0.543 38.520 39.000 0.105 0.000 0.978 481 F HN 0.516 nan 8.300 nan 0.000 0.474 482 L N 0.020 121.369 121.223 0.209 0.000 2.012 482 L HA -0.255 4.085 4.340 -0.000 0.000 0.210 482 L C 2.410 179.276 176.870 -0.006 0.000 1.073 482 L CA 1.906 56.809 54.840 0.105 0.000 0.748 482 L CB -0.900 41.253 42.059 0.157 0.000 0.891 482 L HN 0.215 nan 8.230 nan 0.000 0.431 483 E N -0.133 120.052 120.200 -0.024 0.000 2.085 483 E HA -0.235 4.115 4.350 -0.000 0.000 0.194 483 E C 2.333 178.823 176.600 -0.183 0.000 0.994 483 E CA 1.172 57.513 56.400 -0.099 0.000 0.801 483 E CB -0.050 29.583 29.700 -0.113 0.000 0.743 483 E HN 0.426 nan 8.360 nan 0.000 0.453 484 R N -0.587 119.748 120.500 -0.275 0.000 2.193 484 R HA 0.001 4.341 4.340 -0.000 0.000 0.213 484 R C 1.555 177.457 176.300 -0.664 0.000 1.055 484 R CA 0.777 56.584 56.100 -0.488 0.000 0.995 484 R CB 0.176 30.105 30.300 -0.617 0.000 0.893 484 R HN 0.296 nan 8.270 nan 0.000 0.459 485 H N -0.931 117.947 119.070 -0.321 0.000 3.046 485 H HA 0.204 4.759 4.556 -0.000 0.000 0.262 485 H C 0.332 175.548 175.328 -0.186 0.000 1.044 485 H CA -0.211 55.643 56.048 -0.322 0.000 1.209 485 H CB 0.638 30.037 29.762 -0.605 0.000 1.507 485 H HN 0.001 nan 8.280 nan 0.000 0.507 486 L N 4.491 125.686 121.223 -0.046 0.000 2.485 486 L HA 0.067 4.407 4.340 -0.000 0.000 0.275 486 L C -1.648 175.205 176.870 -0.029 0.000 1.207 486 L CA -1.426 53.411 54.840 -0.005 0.000 0.855 486 L CB 0.318 42.402 42.059 0.042 0.000 1.114 486 L HN -0.010 nan 8.230 nan 0.000 0.485 487 P HA 0.104 nan 4.420 nan 0.000 0.274 487 P C -0.589 176.673 177.300 -0.064 0.000 1.237 487 P CA -0.564 62.507 63.100 -0.048 0.000 0.793 487 P CB 0.936 32.606 31.700 -0.049 0.000 0.977 488 S N 0.117 115.763 115.700 -0.090 0.000 2.626 488 S HA 0.098 4.568 4.470 -0.000 0.000 0.257 488 S C 1.511 175.992 174.600 -0.197 0.000 1.288 488 S CA -0.537 57.591 58.200 -0.120 0.000 0.980 488 S CB -0.388 62.742 63.200 -0.115 0.000 0.975 488 S HN 0.216 nan 8.310 nan 0.000 0.577 489 V N 2.370 122.101 119.914 -0.305 0.000 2.261 489 V HA -0.067 4.053 4.120 -0.000 0.000 0.246 489 V C -0.434 175.259 176.094 -0.669 0.000 1.047 489 V CA 1.899 63.910 62.300 -0.482 0.000 1.015 489 V CB -1.952 29.533 31.823 -0.563 0.000 0.642 489 V HN 0.799 nan 8.190 nan 0.000 0.446 490 P HA -0.110 nan 4.420 nan 0.000 0.218 490 P C 1.721 178.845 177.300 -0.293 0.000 1.149 490 P CA 1.978 64.699 63.100 -0.632 0.000 0.817 490 P CB -0.268 31.199 31.700 -0.387 0.000 0.785 491 G N 0.635 109.302 108.800 -0.222 0.000 2.402 491 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.216 491 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.216 491 G C 1.508 176.337 174.900 -0.118 0.000 1.162 491 G CA 0.496 45.519 45.100 -0.129 0.000 0.777 491 G HN 0.264 nan 8.290 nan 0.000 0.539 492 L N 0.264 121.401 121.223 -0.144 0.000 2.141 492 L HA 0.164 4.504 4.340 -0.000 0.000 0.209 492 L C 2.556 179.359 176.870 -0.112 0.000 1.094 492 L CA 1.172 55.946 54.840 -0.111 0.000 0.763 492 L CB -0.167 41.827 42.059 -0.108 0.000 0.908 492 L HN 0.188 nan 8.230 nan 0.000 0.437 493 L N -1.028 120.097 121.223 -0.163 0.000 2.072 493 L HA -0.106 4.234 4.340 -0.000 0.000 0.205 493 L C 2.668 179.489 176.870 -0.082 0.000 1.079 493 L CA 0.958 55.718 54.840 -0.133 0.000 0.752 493 L CB -0.469 41.473 42.059 -0.195 0.000 0.906 493 L HN 0.182 nan 8.230 nan 0.000 0.436 494 R N -0.315 120.137 120.500 -0.081 0.000 2.189 494 R HA -0.100 4.240 4.340 -0.000 0.000 0.223 494 R C 1.967 178.246 176.300 -0.036 0.000 1.092 494 R CA 0.787 56.859 56.100 -0.047 0.000 0.989 494 R CB -0.224 30.052 30.300 -0.041 0.000 0.876 494 R HN 0.209 nan 8.270 nan 0.000 0.457 495 L N 0.505 121.702 121.223 -0.043 0.000 2.552 495 L HA 0.093 4.433 4.340 -0.000 0.000 0.227 495 L C 0.692 177.547 176.870 -0.026 0.000 1.146 495 L CA 1.057 55.879 54.840 -0.031 0.000 0.858 495 L CB 0.157 42.196 42.059 -0.032 0.000 0.969 495 L HN 0.018 nan 8.230 nan 0.000 0.451 496 I N 0.000 120.552 120.570 -0.030 0.000 2.984 496 I HA 0.000 4.170 4.170 -0.000 0.000 0.288 496 I CA 0.000 61.287 61.300 -0.022 0.000 1.566 496 I CB 0.000 37.985 38.000 -0.025 0.000 1.214 496 I HN 0.000 nan 8.210 nan 0.000 0.494