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 1s2y_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 0.000 175.516 175.510 0.009 0.000 1.280 3 N CA 0.000 52.946 53.050 -0.174 0.000 0.885 3 N CB 0.000 38.413 38.487 -0.124 0.000 1.341 4 K N 1.541 121.955 120.400 0.024 0.000 2.156 4 K HA 0.532 4.852 4.320 -0.000 0.000 0.271 4 K C -0.175 176.466 176.600 0.067 0.000 0.995 4 K CA -0.400 55.914 56.287 0.045 0.000 0.890 4 K CB 1.867 34.379 32.500 0.019 0.000 1.073 4 K HN 0.563 nan 8.250 nan 0.000 0.454 5 C N -1.007 118.337 119.300 0.073 0.000 3.314 5 C HA 0.373 4.833 4.460 -0.000 0.000 0.344 5 C C 0.739 175.766 174.990 0.062 0.000 1.461 5 C CA -0.816 58.244 59.018 0.071 0.000 1.249 5 C CB 0.855 28.648 27.740 0.090 0.000 1.632 5 C HN 0.792 nan 8.230 nan 0.000 0.452 6 D N 0.280 120.720 120.400 0.066 0.000 2.120 6 D HA 0.116 4.756 4.640 -0.000 0.000 0.202 6 D C 0.325 176.692 176.300 0.112 0.000 0.972 6 D CA 1.715 55.764 54.000 0.082 0.000 0.837 6 D CB 0.238 41.084 40.800 0.078 0.000 0.989 6 D HN 0.479 nan 8.370 nan 0.000 0.469 7 V N 1.568 121.536 119.914 0.091 0.000 2.577 7 V HA 0.233 4.353 4.120 -0.000 0.000 0.303 7 V C -0.119 176.006 176.094 0.052 0.000 1.042 7 V CA -0.820 61.534 62.300 0.091 0.000 0.872 7 V CB 2.734 34.597 31.823 0.067 0.000 0.998 7 V HN -0.234 nan 8.190 nan 0.000 0.423 8 V N 5.490 125.430 119.914 0.044 0.000 2.432 8 V HA 0.349 4.469 4.120 -0.000 0.000 0.275 8 V C 0.022 176.109 176.094 -0.011 0.000 1.043 8 V CA -0.333 61.963 62.300 -0.006 0.000 0.925 8 V CB 1.776 33.589 31.823 -0.018 0.000 0.985 8 V HN 0.636 nan 8.190 nan 0.000 0.466 9 V N 6.457 126.351 119.914 -0.034 0.000 2.370 9 V HA 0.305 4.425 4.120 -0.000 0.000 0.279 9 V C 0.048 176.118 176.094 -0.040 0.000 1.029 9 V CA -0.541 61.745 62.300 -0.023 0.000 0.870 9 V CB 1.717 33.530 31.823 -0.017 0.000 0.984 9 V HN 0.601 nan 8.190 nan 0.000 0.451 10 V N 4.729 124.633 119.914 -0.016 0.000 2.368 10 V HA 0.791 4.911 4.120 -0.000 0.000 0.266 10 V C 0.698 176.799 176.094 0.012 0.000 1.045 10 V CA 0.457 62.749 62.300 -0.013 0.000 0.899 10 V CB 0.437 32.269 31.823 0.016 0.000 1.006 10 V HN 1.267 nan 8.190 nan 0.000 0.470 11 G N 3.691 112.486 108.800 -0.009 0.000 3.233 11 G HA2 0.177 4.137 3.960 -0.000 0.000 0.686 11 G HA3 0.177 4.137 3.960 -0.000 0.000 0.686 11 G C 0.093 174.997 174.900 0.007 0.000 1.153 11 G CA -0.504 44.603 45.100 0.011 0.000 0.853 11 G HN 1.236 nan 8.290 nan 0.000 0.582 12 G N 0.802 109.604 108.800 0.003 0.000 3.959 12 G HA2 0.680 4.640 3.960 -0.000 0.000 0.298 12 G HA3 0.680 4.640 3.960 -0.000 0.000 0.298 12 G C 0.875 175.793 174.900 0.030 0.000 1.211 12 G CA 0.934 46.036 45.100 0.005 0.000 1.001 12 G HN 1.296 nan 8.290 nan 0.000 0.561 13 G N -0.157 108.672 108.800 0.049 0.000 2.535 13 G HA2 0.359 4.319 3.960 -0.000 0.000 0.282 13 G HA3 0.359 4.319 3.960 -0.000 0.000 0.282 13 G C 1.176 176.105 174.900 0.050 0.000 1.350 13 G CA -0.767 44.371 45.100 0.064 0.000 1.039 13 G HN 0.127 nan 8.290 nan 0.000 0.509 14 I N -0.537 120.065 120.570 0.054 0.000 2.208 14 I HA -0.227 3.943 4.170 -0.000 0.000 0.245 14 I C 3.025 179.168 176.117 0.044 0.000 1.097 14 I CA 1.690 63.015 61.300 0.041 0.000 1.363 14 I CB -0.074 37.954 38.000 0.047 0.000 1.051 14 I HN 0.476 nan 8.210 nan 0.000 0.413 15 S N 0.450 116.188 115.700 0.064 0.000 2.355 15 S HA -0.123 4.347 4.470 -0.000 0.000 0.222 15 S C 2.097 176.726 174.600 0.049 0.000 1.031 15 S CA 1.595 59.836 58.200 0.068 0.000 0.993 15 S CB -0.580 62.679 63.200 0.098 0.000 0.859 15 S HN 0.572 nan 8.310 nan 0.000 0.453 16 G N 1.546 110.374 108.800 0.047 0.000 2.418 16 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.217 16 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.217 16 G C 1.458 176.365 174.900 0.010 0.000 1.158 16 G CA 0.973 46.090 45.100 0.028 0.000 0.771 16 G HN 0.392 nan 8.290 nan 0.000 0.545 17 M N 1.302 120.907 119.600 0.008 0.000 2.117 17 M HA 0.050 4.530 4.480 -0.000 0.000 0.262 17 M C 2.998 179.294 176.300 -0.006 0.000 1.065 17 M CA 1.252 56.548 55.300 -0.007 0.000 1.114 17 M CB -1.381 31.214 32.600 -0.010 0.000 1.361 17 M HN 0.315 nan 8.290 nan 0.000 0.408 18 A N 0.123 122.945 122.820 0.003 0.000 1.933 18 A HA 0.018 4.338 4.320 -0.000 0.000 0.218 18 A C 2.453 180.038 177.584 0.001 0.000 1.175 18 A CA 2.099 54.138 52.037 0.003 0.000 0.628 18 A CB -0.887 18.120 19.000 0.013 0.000 0.814 18 A HN 0.474 nan 8.150 nan 0.000 0.444 19 A N -0.067 122.754 122.820 0.002 0.000 1.877 19 A HA 0.166 4.486 4.320 -0.000 0.000 0.216 19 A C 2.535 180.116 177.584 -0.005 0.000 1.186 19 A CA 2.145 54.177 52.037 -0.008 0.000 0.620 19 A CB -1.110 17.887 19.000 -0.005 0.000 0.822 19 A HN 1.061 nan 8.150 nan 0.000 0.443 20 A N -0.329 122.491 122.820 -0.001 0.000 1.902 20 A HA -0.184 4.136 4.320 -0.000 0.000 0.217 20 A C 2.160 179.762 177.584 0.031 0.000 1.181 20 A CA 2.040 54.081 52.037 0.006 0.000 0.623 20 A CB -0.491 18.501 19.000 -0.014 0.000 0.818 20 A HN 0.549 nan 8.150 nan 0.000 0.443 21 K N -0.491 119.919 120.400 0.017 0.000 2.032 21 K HA -0.125 4.195 4.320 -0.000 0.000 0.209 21 K C 2.019 178.658 176.600 0.065 0.000 1.048 21 K CA 1.575 57.887 56.287 0.042 0.000 0.927 21 K CB -0.326 32.181 32.500 0.012 0.000 0.712 21 K HN 0.467 nan 8.250 nan 0.000 0.441 22 L N 1.180 122.419 121.223 0.026 0.000 2.012 22 L HA -0.206 4.134 4.340 -0.000 0.000 0.210 22 L C 2.234 179.109 176.870 0.008 0.000 1.073 22 L CA 1.252 56.097 54.840 0.009 0.000 0.748 22 L CB -0.156 41.894 42.059 -0.016 0.000 0.891 22 L HN 0.244 nan 8.230 nan 0.000 0.431 23 L N -1.193 120.037 121.223 0.011 0.000 2.056 23 L HA -0.256 4.084 4.340 -0.000 0.000 0.207 23 L C 2.581 179.470 176.870 0.032 0.000 1.078 23 L CA 1.399 56.241 54.840 0.003 0.000 0.749 23 L CB -0.763 41.294 42.059 -0.002 0.000 0.901 23 L HN 0.410 nan 8.230 nan 0.000 0.433 24 H N 0.298 119.355 119.070 -0.021 0.000 2.321 24 H HA -0.193 4.363 4.556 -0.000 0.000 0.300 24 H C 1.807 177.127 175.328 -0.014 0.000 1.087 24 H CA 2.018 58.058 56.048 -0.014 0.000 1.319 24 H CB 0.022 29.776 29.762 -0.012 0.000 1.379 24 H HN 0.206 nan 8.280 nan 0.000 0.501 25 D N -0.525 119.864 120.400 -0.018 0.000 2.221 25 D HA -0.106 4.534 4.640 -0.000 0.000 0.204 25 D C 1.975 178.219 176.300 -0.093 0.000 0.982 25 D CA 1.241 55.201 54.000 -0.068 0.000 0.857 25 D CB -0.275 40.528 40.800 0.006 0.000 0.934 25 D HN 0.320 nan 8.370 nan 0.000 0.475 26 S N -1.199 114.457 115.700 -0.072 0.000 2.561 26 S HA 0.198 4.668 4.470 -0.000 0.000 0.225 26 S C 1.595 176.147 174.600 -0.079 0.000 0.977 26 S CA 0.717 58.879 58.200 -0.064 0.000 0.926 26 S CB 0.471 63.641 63.200 -0.049 0.000 0.769 26 S HN 0.476 nan 8.310 nan 0.000 0.533 27 G N 0.714 109.440 108.800 -0.122 0.000 2.159 27 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.227 27 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.227 27 G C -0.022 174.832 174.900 -0.077 0.000 0.986 27 G CA -0.321 44.708 45.100 -0.119 0.000 0.651 27 G HN 0.409 nan 8.290 nan 0.000 0.523 28 L N 0.663 121.854 121.223 -0.053 0.000 2.421 28 L HA 0.413 4.753 4.340 -0.000 0.000 0.263 28 L C 0.156 177.041 176.870 0.024 0.000 1.122 28 L CA -1.008 53.828 54.840 -0.008 0.000 0.804 28 L CB 0.573 42.634 42.059 0.003 0.000 1.150 28 L HN 0.026 nan 8.230 nan 0.000 0.457 29 N N 2.039 120.765 118.700 0.044 0.000 2.408 29 N HA 0.281 5.021 4.740 -0.000 0.000 0.257 29 N C -0.685 174.871 175.510 0.075 0.000 1.064 29 N CA -0.108 52.985 53.050 0.070 0.000 0.952 29 N CB 1.693 40.215 38.487 0.059 0.000 1.093 29 N HN 0.357 nan 8.380 nan 0.000 0.490 30 V N 0.100 120.067 119.914 0.090 0.000 2.680 30 V HA 0.710 4.830 4.120 -0.000 0.000 0.309 30 V C -0.195 175.920 176.094 0.035 0.000 1.052 30 V CA -0.730 61.605 62.300 0.059 0.000 0.908 30 V CB 1.892 33.748 31.823 0.055 0.000 1.001 30 V HN 0.167 nan 8.190 nan 0.000 0.431 31 V N 4.213 124.131 119.914 0.007 0.000 2.604 31 V HA 0.573 4.693 4.120 -0.000 0.000 0.305 31 V C -0.261 175.780 176.094 -0.089 0.000 1.043 31 V CA -0.572 61.704 62.300 -0.040 0.000 0.888 31 V CB 2.020 33.812 31.823 -0.051 0.000 0.995 31 V HN 0.834 nan 8.190 nan 0.000 0.429 32 V N 5.956 125.809 119.914 -0.101 0.000 2.370 32 V HA 0.451 4.571 4.120 -0.000 0.000 0.283 32 V C -0.240 175.762 176.094 -0.154 0.000 1.023 32 V CA -0.434 61.804 62.300 -0.104 0.000 0.857 32 V CB 1.489 33.272 31.823 -0.067 0.000 0.985 32 V HN 0.613 nan 8.190 nan 0.000 0.443 33 L N 4.582 125.698 121.223 -0.177 0.000 2.265 33 L HA 0.615 4.955 4.340 -0.000 0.000 0.289 33 L C -0.202 176.591 176.870 -0.129 0.000 1.033 33 L CA -0.348 54.371 54.840 -0.202 0.000 0.814 33 L CB 1.428 43.325 42.059 -0.271 0.000 1.203 33 L HN 0.607 nan 8.230 nan 0.000 0.423 34 E N 2.361 122.490 120.200 -0.118 0.000 2.191 34 E HA 0.473 4.823 4.350 -0.000 0.000 0.263 34 E C 0.315 176.816 176.600 -0.164 0.000 0.881 34 E CA -0.354 55.980 56.400 -0.111 0.000 0.757 34 E CB 2.033 31.689 29.700 -0.073 0.000 1.147 34 E HN 0.555 nan 8.360 nan 0.000 0.414 35 A N 5.463 128.122 122.820 -0.270 0.000 1.933 35 A HA -0.070 4.250 4.320 -0.000 0.000 0.218 35 A C 1.118 178.466 177.584 -0.392 0.000 1.175 35 A CA 1.089 52.824 52.037 -0.504 0.000 0.628 35 A CB -0.190 18.103 19.000 -1.179 0.000 0.814 35 A HN 0.596 nan 8.150 nan 0.000 0.444 36 R N -0.204 120.146 120.500 -0.249 0.000 2.541 36 R HA 0.250 4.590 4.340 -0.000 0.000 0.263 36 R C 0.084 176.344 176.300 -0.067 0.000 1.112 36 R CA 0.133 56.163 56.100 -0.116 0.000 1.170 36 R CB 0.181 30.453 30.300 -0.047 0.000 1.167 36 R HN 0.459 nan 8.270 nan 0.000 0.582 37 D N 0.415 120.794 120.400 -0.036 0.000 2.323 37 D HA -0.026 4.614 4.640 -0.000 0.000 0.239 37 D C -0.106 176.194 176.300 -0.001 0.000 1.129 37 D CA 0.062 54.052 54.000 -0.017 0.000 0.865 37 D CB -0.061 40.733 40.800 -0.009 0.000 0.913 37 D HN 0.429 nan 8.370 nan 0.000 0.517 38 R N -1.367 119.133 120.500 0.002 0.000 2.734 38 R HA 0.583 4.923 4.340 -0.000 0.000 0.271 38 R C -0.712 175.608 176.300 0.033 0.000 1.021 38 R CA -1.109 55.011 56.100 0.033 0.000 0.893 38 R CB 1.092 31.434 30.300 0.070 0.000 1.244 38 R HN -0.100 nan 8.270 nan 0.000 0.464 39 V N -1.689 118.254 119.914 0.049 0.000 3.234 39 V HA 0.865 4.985 4.120 -0.000 0.000 0.317 39 V C 0.963 177.115 176.094 0.096 0.000 1.081 39 V CA 0.391 62.721 62.300 0.049 0.000 1.037 39 V CB 0.760 32.598 31.823 0.025 0.000 1.148 39 V HN 1.199 nan 8.190 nan 0.000 0.453 40 G N -1.060 107.795 108.800 0.093 0.000 2.339 40 G HA2 0.142 4.102 3.960 -0.000 0.000 0.209 40 G HA3 0.142 4.102 3.960 -0.000 0.000 0.209 40 G C 1.627 176.619 174.900 0.152 0.000 1.015 40 G CA 0.786 45.962 45.100 0.128 0.000 0.635 40 G HN 2.619 nan 8.290 nan 0.000 0.499 41 G N 0.592 109.494 108.800 0.171 0.000 2.620 41 G HA2 -0.409 3.551 3.960 -0.000 0.000 0.315 41 G HA3 -0.409 3.551 3.960 -0.000 0.000 0.315 41 G C 0.963 176.028 174.900 0.276 0.000 1.179 41 G CA 1.500 46.718 45.100 0.196 0.000 0.971 41 G HN 1.201 nan 8.290 nan 0.000 0.544 42 R N 1.839 122.403 120.500 0.107 0.000 2.323 42 R HA 0.226 4.566 4.340 -0.000 0.000 0.198 42 R C 1.040 177.232 176.300 -0.179 0.000 0.988 42 R CA 1.042 57.018 56.100 -0.206 0.000 1.041 42 R CB -0.113 30.036 30.300 -0.251 0.000 0.926 42 R HN 0.707 nan 8.270 nan 0.000 0.476 43 T N -2.357 112.255 114.554 0.096 0.000 2.867 43 T HA 0.368 4.718 4.350 -0.000 0.000 0.282 43 T C -0.941 173.997 174.700 0.397 0.000 1.000 43 T CA -0.639 61.572 62.100 0.184 0.000 1.042 43 T CB 1.572 70.511 68.868 0.120 0.000 0.973 43 T HN 0.113 nan 8.240 nan 0.000 0.465 44 Y N 1.170 121.634 120.300 0.274 0.000 2.313 44 Y HA 0.427 4.977 4.550 -0.000 0.000 0.320 44 Y C -1.138 174.879 175.900 0.194 0.000 1.171 44 Y CA -0.777 57.472 58.100 0.248 0.000 1.093 44 Y CB 1.594 40.245 38.460 0.318 0.000 1.224 44 Y HN 0.860 nan 8.280 nan 0.000 0.421 45 T N 7.927 122.292 114.554 -0.316 0.000 2.753 45 T HA 0.376 4.726 4.350 -0.000 0.000 0.297 45 T C -0.692 173.650 174.700 -0.598 0.000 0.981 45 T CA -0.346 61.572 62.100 -0.304 0.000 0.956 45 T CB 0.321 69.126 68.868 -0.104 0.000 0.936 45 T HN 0.589 nan 8.240 nan 0.000 0.463 46 L N 4.558 125.461 121.223 -0.534 0.000 2.349 46 L HA 0.571 4.911 4.340 -0.000 0.000 0.275 46 L C -0.035 176.756 176.870 -0.132 0.000 1.115 46 L CA 0.014 54.628 54.840 -0.377 0.000 0.820 46 L CB 0.482 42.435 42.059 -0.176 0.000 1.135 46 L HN 0.493 nan 8.230 nan 0.000 0.445 47 R N 3.441 123.892 120.500 -0.082 0.000 2.480 47 R HA 0.581 4.921 4.340 -0.000 0.000 0.306 47 R C -1.229 175.051 176.300 -0.034 0.000 0.958 47 R CA -0.578 55.500 56.100 -0.037 0.000 0.861 47 R CB 1.285 31.574 30.300 -0.019 0.000 1.171 47 R HN 0.924 nan 8.270 nan 0.000 0.445 48 N N -0.833 117.830 118.700 -0.061 0.000 2.934 48 N HA 0.009 4.749 4.740 -0.000 0.000 0.253 48 N C -0.097 175.352 175.510 -0.101 0.000 1.466 48 N CA -0.934 52.077 53.050 -0.065 0.000 0.858 48 N CB 0.790 39.244 38.487 -0.055 0.000 1.459 48 N HN 0.265 nan 8.380 nan 0.000 0.532 49 Q N -0.228 119.523 119.800 -0.082 0.000 2.170 49 Q HA -0.043 4.297 4.340 -0.000 0.000 0.203 49 Q C 0.566 176.522 176.000 -0.073 0.000 0.976 49 Q CA 1.349 57.119 55.803 -0.056 0.000 0.858 49 Q CB 0.030 28.747 28.738 -0.035 0.000 0.907 49 Q HN 0.540 nan 8.270 nan 0.000 0.433 50 K N 0.061 120.324 120.400 -0.229 0.000 2.148 50 K HA -0.076 4.244 4.320 -0.000 0.000 0.204 50 K C 2.009 178.400 176.600 -0.348 0.000 1.050 50 K CA 1.404 57.450 56.287 -0.402 0.000 0.942 50 K CB -0.014 31.882 32.500 -1.007 0.000 0.724 50 K HN 0.323 nan 8.250 nan 0.000 0.446 51 V N -2.645 117.024 119.914 -0.409 0.000 3.645 51 V HA 0.205 4.325 4.120 -0.000 0.000 0.275 51 V C 1.423 177.097 176.094 -0.700 0.000 1.356 51 V CA 0.693 62.699 62.300 -0.489 0.000 1.051 51 V CB 0.145 31.716 31.823 -0.421 0.000 0.828 51 V HN 0.282 nan 8.190 nan 0.000 0.441 52 K N 0.652 120.714 120.400 -0.564 0.000 10.883 52 K HA -0.308 4.012 4.320 -0.000 0.000 0.526 52 K C 0.146 176.632 176.600 -0.189 0.000 0.382 52 K CA 2.530 58.533 56.287 -0.473 0.000 1.943 52 K CB -1.513 30.469 32.500 -0.863 0.000 0.766 52 K HN 0.966 nan 8.250 nan 0.000 1.214 53 Y N -1.747 118.391 120.300 -0.270 0.000 2.544 53 Y HA 0.736 5.286 4.550 -0.000 0.000 0.342 53 Y C -1.232 174.621 175.900 -0.079 0.000 1.062 53 Y CA -0.745 57.266 58.100 -0.149 0.000 1.023 53 Y CB 2.088 40.481 38.460 -0.112 0.000 1.308 53 Y HN 0.040 nan 8.280 nan 0.000 0.457 54 V N 2.522 122.487 119.914 0.085 0.000 2.777 54 V HA 0.375 4.495 4.120 -0.000 0.000 0.306 54 V C -1.549 174.604 176.094 0.098 0.000 1.112 54 V CA -0.641 61.717 62.300 0.096 0.000 0.917 54 V CB 1.955 33.860 31.823 0.137 0.000 1.018 54 V HN 0.921 nan 8.190 nan 0.000 0.426 55 D N 5.538 126.009 120.400 0.119 0.000 2.339 55 D HA 0.287 4.927 4.640 -0.000 0.000 0.256 55 D C 0.804 177.194 176.300 0.150 0.000 1.214 55 D CA 0.263 54.324 54.000 0.101 0.000 0.877 55 D CB 1.811 42.642 40.800 0.052 0.000 1.111 55 D HN 0.512 nan 8.370 nan 0.000 0.478 56 L N 1.447 122.817 121.223 0.245 0.000 2.616 56 L HA 0.236 4.576 4.340 -0.000 0.000 0.229 56 L C 1.473 178.751 176.870 0.681 0.000 1.110 56 L CA 0.028 55.110 54.840 0.403 0.000 0.884 56 L CB 0.414 42.719 42.059 0.409 0.000 1.115 56 L HN 0.351 nan 8.230 nan 0.000 0.481 57 G N -0.804 108.314 108.800 0.531 0.000 3.286 57 G HA2 0.414 4.374 3.960 -0.000 0.000 0.166 57 G HA3 0.414 4.374 3.960 -0.000 0.000 0.166 57 G C -0.168 174.767 174.900 0.058 0.000 1.155 57 G CA -0.029 45.210 45.100 0.231 0.000 0.871 57 G HN 0.063 nan 8.290 nan 0.000 0.637 58 G N -0.581 108.178 108.800 -0.068 0.000 2.321 58 G HA2 0.369 4.329 3.960 -0.000 0.000 0.237 58 G HA3 0.369 4.329 3.960 -0.000 0.000 0.237 58 G C 0.515 175.397 174.900 -0.029 0.000 1.282 58 G CA 0.989 46.052 45.100 -0.062 0.000 0.886 58 G HN 0.874 nan 8.290 nan 0.000 0.528 59 S N 1.351 116.982 115.700 -0.116 0.000 3.330 59 S HA 0.177 4.647 4.470 -0.000 0.000 0.259 59 S C 0.107 174.479 174.600 -0.380 0.000 1.095 59 S CA -0.338 57.700 58.200 -0.271 0.000 0.841 59 S CB -0.084 62.811 63.200 -0.509 0.000 0.890 59 S HN 0.488 nan 8.310 nan 0.000 0.446 60 Y N 3.002 123.245 120.300 -0.094 0.000 2.359 60 Y HA 0.506 5.056 4.550 -0.000 0.000 0.330 60 Y C 0.282 176.035 175.900 -0.245 0.000 1.143 60 Y CA -0.283 57.710 58.100 -0.177 0.000 1.318 60 Y CB 1.051 39.443 38.460 -0.114 0.000 1.234 60 Y HN 0.136 nan 8.280 nan 0.000 0.522 61 V N -0.156 119.620 119.914 -0.230 0.000 3.040 61 V HA 1.092 5.212 4.120 -0.000 0.000 0.312 61 V C -0.307 175.587 176.094 -0.334 0.000 1.115 61 V CA -0.575 61.515 62.300 -0.351 0.000 0.998 61 V CB 1.667 33.200 31.823 -0.485 0.000 1.042 61 V HN 0.929 nan 8.190 nan 0.000 0.433 62 G N 0.709 109.269 108.800 -0.401 0.000 2.645 62 G HA2 0.761 4.721 3.960 -0.000 0.000 0.292 62 G HA3 0.761 4.721 3.960 -0.000 0.000 0.292 62 G C -3.389 171.344 174.900 -0.277 0.000 1.415 62 G CA -1.365 43.553 45.100 -0.304 0.000 0.785 62 G HN 0.714 nan 8.290 nan 0.000 0.483 63 P HA 0.094 nan 4.420 nan 0.000 0.266 63 P C 0.790 178.072 177.300 -0.030 0.000 1.193 63 P CA 1.912 64.967 63.100 -0.074 0.000 0.770 63 P CB 0.860 32.546 31.700 -0.023 0.000 0.836 64 T N -1.681 112.890 114.554 0.027 0.000 7.013 64 T HA -0.263 4.087 4.350 -0.000 0.000 0.288 64 T C 0.347 175.079 174.700 0.055 0.000 2.146 64 T CA 1.090 63.284 62.100 0.157 0.000 3.498 64 T CB -2.683 66.406 68.868 0.368 0.000 1.517 64 T HN 0.592 nan 8.240 nan 0.000 1.113 65 Q N 1.401 121.051 119.800 -0.249 0.000 3.207 65 Q HA 0.352 4.692 4.340 -0.000 0.000 0.335 65 Q C 0.939 176.843 176.000 -0.161 0.000 1.374 65 Q CA -0.430 55.124 55.803 -0.414 0.000 1.023 65 Q CB 0.128 28.423 28.738 -0.738 0.000 1.576 65 Q HN 0.510 nan 8.270 nan 0.000 0.515 66 N N 0.734 119.414 118.700 -0.034 0.000 2.331 66 N HA -0.071 4.668 4.740 -0.000 0.000 0.180 66 N C 1.237 176.761 175.510 0.022 0.000 1.019 66 N CA 0.820 53.875 53.050 0.009 0.000 0.881 66 N CB 0.256 38.772 38.487 0.049 0.000 0.972 66 N HN 0.371 nan 8.380 nan 0.000 0.435 67 R N 0.407 120.925 120.500 0.030 0.000 2.062 67 R HA 0.031 4.371 4.340 -0.000 0.000 0.229 67 R C 2.048 178.368 176.300 0.033 0.000 1.128 67 R CA 0.645 56.770 56.100 0.041 0.000 0.960 67 R CB -0.289 30.048 30.300 0.062 0.000 0.855 67 R HN 0.089 nan 8.270 nan 0.000 0.432 68 I N 1.142 121.728 120.570 0.026 0.000 2.315 68 I HA -0.193 3.977 4.170 -0.000 0.000 0.248 68 I C 1.784 177.973 176.117 0.120 0.000 1.117 68 I CA 1.372 62.711 61.300 0.066 0.000 1.404 68 I CB -0.034 38.016 38.000 0.083 0.000 1.071 68 I HN 0.093 nan 8.210 nan 0.000 0.419 69 L N 0.231 121.510 121.223 0.093 0.000 2.017 69 L HA -0.190 4.150 4.340 -0.000 0.000 0.208 69 L C 2.771 179.687 176.870 0.077 0.000 1.073 69 L CA 1.460 56.370 54.840 0.116 0.000 0.745 69 L CB -0.870 41.212 42.059 0.038 0.000 0.894 69 L HN 0.262 nan 8.230 nan 0.000 0.432 70 R N 0.761 121.286 120.500 0.043 0.000 2.066 70 R HA -0.192 4.148 4.340 -0.000 0.000 0.232 70 R C 2.322 178.629 176.300 0.011 0.000 1.131 70 R CA 1.753 57.869 56.100 0.027 0.000 0.955 70 R CB -0.662 29.653 30.300 0.024 0.000 0.851 70 R HN 0.258 nan 8.270 nan 0.000 0.432 71 L N 1.169 122.395 121.223 0.005 0.000 2.046 71 L HA -0.071 4.269 4.340 -0.000 0.000 0.208 71 L C 2.408 179.241 176.870 -0.062 0.000 1.077 71 L CA 2.336 57.163 54.840 -0.021 0.000 0.747 71 L CB -0.798 41.250 42.059 -0.019 0.000 0.896 71 L HN 0.248 nan 8.230 nan 0.000 0.432 72 A N -0.655 122.112 122.820 -0.088 0.000 1.898 72 A HA -0.242 4.078 4.320 -0.000 0.000 0.216 72 A C 2.457 179.976 177.584 -0.109 0.000 1.181 72 A CA 1.856 53.768 52.037 -0.209 0.000 0.620 72 A CB -0.625 18.120 19.000 -0.425 0.000 0.819 72 A HN 0.517 nan 8.150 nan 0.000 0.442 73 K N -0.245 120.143 120.400 -0.020 0.000 2.026 73 K HA -0.216 4.104 4.320 -0.000 0.000 0.208 73 K C 2.061 178.651 176.600 -0.017 0.000 1.048 73 K CA 1.727 58.015 56.287 0.002 0.000 0.929 73 K CB -0.203 32.312 32.500 0.026 0.000 0.713 73 K HN 0.605 nan 8.250 nan 0.000 0.439 74 E N 0.443 120.631 120.200 -0.020 0.000 2.118 74 E HA -0.183 4.167 4.350 -0.000 0.000 0.195 74 E C 1.689 178.269 176.600 -0.033 0.000 0.992 74 E CA 1.046 57.434 56.400 -0.020 0.000 0.804 74 E CB -0.004 29.687 29.700 -0.016 0.000 0.741 74 E HN 0.359 nan 8.360 nan 0.000 0.458 75 L N -0.795 120.394 121.223 -0.058 0.000 2.610 75 L HA 0.125 4.465 4.340 -0.000 0.000 0.232 75 L C 1.389 178.218 176.870 -0.069 0.000 1.149 75 L CA 0.484 55.281 54.840 -0.071 0.000 0.872 75 L CB 0.162 42.157 42.059 -0.107 0.000 0.992 75 L HN 0.373 nan 8.230 nan 0.000 0.447 76 G N 0.100 108.867 108.800 -0.055 0.000 2.131 76 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.223 76 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.223 76 G C 0.050 174.924 174.900 -0.045 0.000 0.990 76 G CA -0.357 44.719 45.100 -0.041 0.000 0.671 76 G HN 0.194 nan 8.290 nan 0.000 0.521 77 L N -0.088 121.095 121.223 -0.066 0.000 2.399 77 L HA 0.764 5.104 4.340 -0.000 0.000 0.265 77 L C 0.544 177.444 176.870 0.049 0.000 1.089 77 L CA -0.806 54.000 54.840 -0.057 0.000 0.802 77 L CB 1.187 43.117 42.059 -0.216 0.000 1.180 77 L HN 0.175 nan 8.230 nan 0.000 0.454 78 E N -0.132 120.142 120.200 0.122 0.000 2.312 78 E HA 0.449 4.799 4.350 -0.000 0.000 0.267 78 E C -0.970 175.790 176.600 0.266 0.000 0.894 78 E CA -0.732 55.767 56.400 0.166 0.000 0.773 78 E CB 2.437 32.206 29.700 0.116 0.000 1.241 78 E HN 0.662 nan 8.360 nan 0.000 0.432 79 T N -1.225 113.437 114.554 0.180 0.000 2.944 79 T HA 0.620 4.970 4.350 -0.000 0.000 0.284 79 T C -0.699 174.084 174.700 0.138 0.000 1.010 79 T CA -0.671 61.468 62.100 0.063 0.000 1.025 79 T CB 0.642 69.433 68.868 -0.129 0.000 1.079 79 T HN 0.525 nan 8.240 nan 0.000 0.516 80 Y N -1.583 118.715 120.300 -0.002 0.000 2.581 80 Y HA 0.699 5.249 4.550 0.000 0.000 0.345 80 Y C -0.734 175.168 175.900 0.004 0.000 1.036 80 Y CA -1.537 56.573 58.100 0.017 0.000 1.042 80 Y CB 1.441 39.931 38.460 0.050 0.000 1.289 80 Y HN 0.598 nan 8.280 nan 0.000 0.471 81 K N 2.401 122.863 120.400 0.102 0.000 2.297 81 K HA 0.386 4.706 4.320 -0.000 0.000 0.286 81 K C -0.754 175.887 176.600 0.068 0.000 1.053 81 K CA -0.691 55.601 56.287 0.009 0.000 0.940 81 K CB 1.602 34.131 32.500 0.048 0.000 1.019 81 K HN 0.614 nan 8.250 nan 0.000 0.475 82 V N 3.357 123.254 119.914 -0.029 0.000 2.673 82 V HA -0.121 3.999 4.120 -0.000 0.000 0.303 82 V C 0.631 176.779 176.094 0.091 0.000 1.046 82 V CA -0.094 62.247 62.300 0.069 0.000 1.126 82 V CB 0.229 32.083 31.823 0.051 0.000 0.934 82 V HN 0.723 nan 8.190 nan 0.000 0.487 83 N N 3.945 122.726 118.700 0.136 0.000 2.438 83 N HA 0.022 4.762 4.740 -0.000 0.000 0.267 83 N C 0.240 175.787 175.510 0.062 0.000 1.222 83 N CA 0.489 53.606 53.050 0.111 0.000 0.930 83 N CB 0.257 38.835 38.487 0.153 0.000 1.083 83 N HN 0.824 nan 8.380 nan 0.000 0.476 84 E N 2.996 123.216 120.200 0.034 0.000 3.191 84 E HA 0.110 4.460 4.350 -0.000 0.000 0.192 84 E C 0.279 176.875 176.600 -0.006 0.000 0.972 84 E CA -0.062 56.337 56.400 -0.002 0.000 1.266 84 E CB 0.261 29.946 29.700 -0.025 0.000 1.076 84 E HN 0.440 nan 8.360 nan 0.000 0.462 85 V N 0.481 120.404 119.914 0.015 0.000 2.307 85 V HA -0.154 3.966 4.120 -0.000 0.000 0.245 85 V C 0.948 177.042 176.094 0.001 0.000 1.045 85 V CA 1.598 63.903 62.300 0.008 0.000 1.024 85 V CB -0.118 31.715 31.823 0.016 0.000 0.651 85 V HN 0.260 nan 8.190 nan 0.000 0.449 86 E N -0.652 119.557 120.200 0.014 0.000 2.849 86 E HA 0.374 4.724 4.350 -0.000 0.000 0.257 86 E C 0.223 176.821 176.600 -0.003 0.000 1.306 86 E CA -0.606 55.804 56.400 0.017 0.000 1.058 86 E CB 0.228 29.955 29.700 0.045 0.000 1.249 86 E HN 0.305 nan 8.360 nan 0.000 0.638 87 R N 0.259 120.775 120.500 0.026 0.000 2.543 87 R HA 0.233 4.573 4.340 -0.000 0.000 0.277 87 R C -0.466 175.759 176.300 -0.125 0.000 1.074 87 R CA -0.506 55.574 56.100 -0.033 0.000 1.076 87 R CB 0.077 30.421 30.300 0.073 0.000 0.993 87 R HN 0.183 nan 8.270 nan 0.000 0.459 88 L N 2.745 123.701 121.223 -0.445 0.000 2.456 88 L HA 0.348 4.688 4.340 -0.000 0.000 0.257 88 L C 0.226 176.776 176.870 -0.532 0.000 1.162 88 L CA 0.255 54.717 54.840 -0.630 0.000 0.808 88 L CB 0.445 41.844 42.059 -1.100 0.000 1.136 88 L HN 0.464 nan 8.230 nan 0.000 0.466 89 I N 0.273 120.682 120.570 -0.268 0.000 2.465 89 I HA 0.271 4.441 4.170 -0.000 0.000 0.291 89 I C -0.544 175.795 176.117 0.369 0.000 1.014 89 I CA -0.469 60.845 61.300 0.022 0.000 1.093 89 I CB 1.495 39.383 38.000 -0.186 0.000 1.267 89 I HN 0.534 nan 8.210 nan 0.000 0.431 90 H N 5.304 124.657 119.070 0.470 0.000 2.581 90 H HA 0.301 4.857 4.556 -0.000 0.000 0.308 90 H C -1.205 174.333 175.328 0.350 0.000 1.040 90 H CA -0.747 55.523 56.048 0.371 0.000 1.231 90 H CB 0.802 30.713 29.762 0.248 0.000 1.396 90 H HN 0.597 nan 8.280 nan 0.000 0.467 91 H N 4.530 123.713 119.070 0.190 0.000 2.640 91 H HA 0.351 4.907 4.556 -0.000 0.000 0.297 91 H C -1.314 174.001 175.328 -0.023 0.000 1.073 91 H CA -0.353 55.739 56.048 0.074 0.000 1.305 91 H CB 0.752 30.556 29.762 0.070 0.000 1.404 91 H HN 0.342 nan 8.280 nan 0.000 0.459 92 V N 5.907 125.652 119.914 -0.281 0.000 2.686 92 V HA 0.288 4.408 4.120 -0.000 0.000 0.306 92 V C -0.637 175.372 176.094 -0.142 0.000 1.065 92 V CA -0.892 61.282 62.300 -0.210 0.000 0.894 92 V CB 1.378 32.996 31.823 -0.343 0.000 1.004 92 V HN 1.009 nan 8.190 nan 0.000 0.424 93 K N 4.849 125.201 120.400 -0.081 0.000 3.257 93 K HA -0.197 4.123 4.320 -0.000 0.000 0.270 93 K C 0.899 177.448 176.600 -0.085 0.000 0.984 93 K CA 0.933 57.196 56.287 -0.041 0.000 0.739 93 K CB -1.557 30.941 32.500 -0.003 0.000 1.351 93 K HN 2.077 nan 8.250 nan 0.000 0.463 94 G N 0.042 108.749 108.800 -0.154 0.000 2.179 94 G HA2 -0.352 3.608 3.960 -0.000 0.000 0.257 94 G HA3 -0.352 3.608 3.960 -0.000 0.000 0.257 94 G C -0.079 174.659 174.900 -0.270 0.000 1.010 94 G CA 1.124 46.166 45.100 -0.098 0.000 0.736 94 G HN 0.435 nan 8.290 nan 0.000 0.513 95 K N -0.274 119.750 120.400 -0.626 0.000 2.464 95 K HA 0.598 4.918 4.320 -0.000 0.000 0.253 95 K C -0.544 175.745 176.600 -0.518 0.000 0.933 95 K CA -0.521 55.508 56.287 -0.431 0.000 0.801 95 K CB 1.466 33.799 32.500 -0.277 0.000 1.271 95 K HN 0.047 nan 8.250 nan 0.000 0.430 96 S N 2.268 117.791 115.700 -0.296 0.000 2.480 96 S HA 0.412 4.881 4.470 -0.000 0.000 0.286 96 S C -1.443 172.960 174.600 -0.327 0.000 1.180 96 S CA -0.366 57.779 58.200 -0.091 0.000 1.075 96 S CB 0.265 63.500 63.200 0.058 0.000 0.996 96 S HN 0.382 nan 8.310 nan 0.000 0.487 97 Y N 2.948 123.323 120.300 0.125 0.000 2.426 97 Y HA 0.349 4.899 4.550 -0.000 0.000 0.325 97 Y C -2.490 173.593 175.900 0.305 0.000 0.989 97 Y CA -2.426 55.787 58.100 0.188 0.000 1.284 97 Y CB 0.871 39.433 38.460 0.170 0.000 1.104 97 Y HN 0.455 nan 8.280 nan 0.000 0.481 98 P HA 0.207 nan 4.420 nan 0.000 0.271 98 P C -0.914 176.641 177.300 0.424 0.000 1.216 98 P CA -0.005 63.286 63.100 0.319 0.000 0.776 98 P CB 0.466 32.358 31.700 0.320 0.000 0.881 99 F N -0.481 119.572 119.950 0.171 0.000 2.654 99 F HA 0.641 5.168 4.527 0.000 0.000 0.308 99 F C -0.705 175.150 175.800 0.092 0.000 1.108 99 F CA -1.355 56.732 58.000 0.144 0.000 0.957 99 F CB 1.469 40.555 39.000 0.144 0.000 1.309 99 F HN 0.022 nan 8.300 nan 0.000 0.446 100 R N 1.650 122.250 120.500 0.167 0.000 2.573 100 R HA 0.786 5.126 4.340 -0.000 0.000 0.272 100 R C 0.085 176.466 176.300 0.135 0.000 1.009 100 R CA -0.499 55.627 56.100 0.044 0.000 1.059 100 R CB 1.272 31.608 30.300 0.060 0.000 1.112 100 R HN 1.378 nan 8.270 nan 0.000 0.517 101 G N 1.337 110.147 108.800 0.016 0.000 2.757 101 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.638 101 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.638 101 G C -2.259 172.603 174.900 -0.064 0.000 1.344 101 G CA -0.843 44.245 45.100 -0.021 0.000 0.855 101 G HN 0.414 nan 8.290 nan 0.000 0.537 102 P HA 0.211 nan 4.420 nan 0.000 0.221 102 P C 0.390 177.431 177.300 -0.433 0.000 1.155 102 P CA 1.053 63.771 63.100 -0.636 0.000 0.812 102 P CB 0.100 30.949 31.700 -1.417 0.000 0.801 103 F N -0.719 119.321 119.950 0.150 0.000 2.532 103 F HA 0.500 5.027 4.527 0.000 0.000 0.321 103 F C -2.433 173.108 175.800 -0.433 0.000 1.089 103 F CA -3.434 54.514 58.000 -0.086 0.000 0.926 103 F CB 0.804 39.678 39.000 -0.211 0.000 1.168 103 F HN -0.395 nan 8.300 nan 0.000 0.459 104 P HA 0.131 nan 4.420 nan 0.000 0.271 104 P C -2.406 174.586 177.300 -0.513 0.000 1.226 104 P CA -0.909 61.417 63.100 -1.289 0.000 0.765 104 P CB -0.084 31.014 31.700 -1.003 0.000 0.835 105 P HA 0.069 nan 4.420 nan 0.000 0.272 105 P C -0.867 176.260 177.300 -0.289 0.000 1.223 105 P CA 0.160 63.087 63.100 -0.288 0.000 0.784 105 P CB 0.584 32.123 31.700 -0.267 0.000 0.923 106 V N 2.356 122.074 119.914 -0.326 0.000 2.487 106 V HA 0.218 4.338 4.120 -0.000 0.000 0.298 106 V C 0.284 176.223 176.094 -0.259 0.000 1.028 106 V CA -0.194 61.959 62.300 -0.245 0.000 0.860 106 V CB 1.585 33.235 31.823 -0.288 0.000 0.991 106 V HN 0.700 nan 8.190 nan 0.000 0.427 107 W N 1.125 122.397 121.300 -0.047 0.000 2.699 107 W HA 0.198 4.858 4.660 -0.000 0.000 0.265 107 W C 1.412 177.912 176.519 -0.031 0.000 1.210 107 W CA -0.120 57.198 57.345 -0.046 0.000 1.414 107 W CB 0.360 29.789 29.460 -0.053 0.000 1.043 107 W HN 0.509 nan 8.180 nan 0.000 0.599 108 N N 2.101 120.916 118.700 0.192 0.000 2.447 108 N HA -0.041 4.699 4.740 -0.000 0.000 0.263 108 N C -1.831 173.751 175.510 0.119 0.000 1.226 108 N CA -0.378 52.748 53.050 0.126 0.000 0.906 108 N CB 1.418 39.959 38.487 0.089 0.000 1.060 108 N HN -0.117 nan 8.380 nan 0.000 0.468 109 P HA -0.062 nan 4.420 nan 0.000 0.217 109 P C 1.533 178.912 177.300 0.132 0.000 1.151 109 P CA 0.606 63.768 63.100 0.104 0.000 0.828 109 P CB 0.384 32.122 31.700 0.062 0.000 0.788 110 I N -0.516 120.112 120.570 0.096 0.000 2.202 110 I HA -0.150 4.020 4.170 -0.000 0.000 0.242 110 I C 1.957 178.135 176.117 0.102 0.000 1.091 110 I CA 1.804 63.153 61.300 0.080 0.000 1.368 110 I CB -2.035 36.005 38.000 0.066 0.000 1.058 110 I HN 0.012 nan 8.210 nan 0.000 0.410 111 T N 0.427 115.051 114.554 0.116 0.000 2.720 111 T HA -0.254 4.096 4.350 -0.000 0.000 0.268 111 T C 1.885 176.667 174.700 0.137 0.000 1.037 111 T CA 1.506 63.690 62.100 0.140 0.000 1.144 111 T CB -0.643 68.278 68.868 0.089 0.000 0.864 111 T HN 0.321 nan 8.240 nan 0.000 0.444 112 Y N 1.703 121.993 120.300 -0.017 0.000 2.128 112 Y HA -0.112 4.438 4.550 -0.000 0.000 0.284 112 Y C 2.057 177.970 175.900 0.023 0.000 1.154 112 Y CA 1.213 59.287 58.100 -0.043 0.000 1.149 112 Y CB -0.433 37.980 38.460 -0.078 0.000 0.976 112 Y HN 0.106 nan 8.280 nan 0.000 0.505 113 L N -0.172 121.100 121.223 0.082 0.000 2.046 113 L HA -0.221 4.119 4.340 -0.000 0.000 0.208 113 L C 2.163 178.995 176.870 -0.063 0.000 1.077 113 L CA 1.767 56.600 54.840 -0.012 0.000 0.747 113 L CB -0.622 41.455 42.059 0.029 0.000 0.896 113 L HN 0.248 nan 8.230 nan 0.000 0.432 114 D N -0.884 119.518 120.400 0.005 0.000 2.097 114 D HA -0.202 4.438 4.640 -0.000 0.000 0.195 114 D C 2.179 178.462 176.300 -0.028 0.000 0.989 114 D CA 1.281 55.289 54.000 0.012 0.000 0.827 114 D CB 0.058 40.906 40.800 0.080 0.000 0.966 114 D HN 0.302 nan 8.370 nan 0.000 0.456 115 H N -0.268 118.722 119.070 -0.134 0.000 2.321 115 H HA -0.117 4.439 4.556 -0.000 0.000 0.300 115 H C 2.164 177.420 175.328 -0.120 0.000 1.087 115 H CA 1.227 57.192 56.048 -0.138 0.000 1.319 115 H CB -0.198 29.528 29.762 -0.061 0.000 1.379 115 H HN 0.284 nan 8.280 nan 0.000 0.501 116 N N 1.147 119.774 118.700 -0.121 0.000 2.069 116 N HA -0.185 4.555 4.740 -0.000 0.000 0.191 116 N C 1.823 177.262 175.510 -0.118 0.000 1.031 116 N CA 0.950 53.891 53.050 -0.182 0.000 0.852 116 N CB -0.236 38.000 38.487 -0.417 0.000 1.018 116 N HN 0.402 nan 8.380 nan 0.000 0.423 117 N N -0.061 118.563 118.700 -0.127 0.000 2.166 117 N HA -0.187 4.553 4.740 -0.000 0.000 0.186 117 N C 1.887 177.305 175.510 -0.152 0.000 1.019 117 N CA 0.778 53.754 53.050 -0.123 0.000 0.856 117 N CB -0.300 38.128 38.487 -0.098 0.000 0.993 117 N HN 0.244 nan 8.380 nan 0.000 0.426 118 F N 0.733 120.483 119.950 -0.333 0.000 2.051 118 F HA -0.129 4.398 4.527 -0.000 0.000 0.296 118 F C 1.801 177.316 175.800 -0.474 0.000 1.122 118 F CA 1.709 59.419 58.000 -0.484 0.000 1.201 118 F CB -0.888 37.652 39.000 -0.766 0.000 0.978 118 F HN 0.072 nan 8.300 nan 0.000 0.472 119 W N 0.633 121.693 121.300 -0.399 0.000 2.358 119 W HA -0.134 4.526 4.660 -0.000 0.000 0.303 119 W C 2.819 179.057 176.519 -0.469 0.000 1.208 119 W CA 1.446 58.472 57.345 -0.532 0.000 1.274 119 W CB -0.687 28.534 29.460 -0.400 0.000 1.138 119 W HN -0.050 nan 8.180 nan 0.000 0.515 120 R N 0.209 120.619 120.500 -0.149 0.000 2.081 120 R HA -0.150 4.190 4.340 -0.000 0.000 0.235 120 R C 1.929 178.098 176.300 -0.220 0.000 1.131 120 R CA 2.190 58.186 56.100 -0.174 0.000 0.960 120 R CB -0.726 29.479 30.300 -0.159 0.000 0.856 120 R HN 0.039 nan 8.270 nan 0.000 0.436 121 T N 1.432 115.822 114.554 -0.274 0.000 2.746 121 T HA -0.126 4.224 4.350 -0.000 0.000 0.267 121 T C 1.862 176.359 174.700 -0.339 0.000 1.039 121 T CA 1.444 63.380 62.100 -0.274 0.000 1.142 121 T CB -0.064 68.651 68.868 -0.255 0.000 0.866 121 T HN 0.184 nan 8.240 nan 0.000 0.444 122 M N 1.537 120.845 119.600 -0.487 0.000 2.082 122 M HA -0.121 4.359 4.480 -0.000 0.000 0.258 122 M C 1.838 177.976 176.300 -0.270 0.000 1.069 122 M CA 1.562 56.606 55.300 -0.428 0.000 1.102 122 M CB -1.036 31.255 32.600 -0.515 0.000 1.336 122 M HN 0.197 nan 8.290 nan 0.000 0.404 123 D N 0.395 120.657 120.400 -0.230 0.000 2.123 123 D HA -0.111 4.529 4.640 -0.000 0.000 0.200 123 D C 1.600 177.815 176.300 -0.143 0.000 0.976 123 D CA 0.986 54.882 54.000 -0.172 0.000 0.831 123 D CB -0.322 40.385 40.800 -0.154 0.000 0.974 123 D HN 0.282 nan 8.370 nan 0.000 0.469 124 D N 0.473 120.787 120.400 -0.143 0.000 2.104 124 D HA -0.141 4.499 4.640 -0.000 0.000 0.194 124 D C 2.185 178.456 176.300 -0.047 0.000 0.994 124 D CA 0.846 54.789 54.000 -0.094 0.000 0.830 124 D CB -0.277 40.467 40.800 -0.095 0.000 0.959 124 D HN 0.241 nan 8.370 nan 0.000 0.452 125 M N 0.188 119.724 119.600 -0.107 0.000 2.117 125 M HA -0.058 4.422 4.480 -0.000 0.000 0.262 125 M C 2.338 178.660 176.300 0.036 0.000 1.065 125 M CA 1.703 56.947 55.300 -0.094 0.000 1.114 125 M CB -0.437 31.831 32.600 -0.553 0.000 1.361 125 M HN 0.044 nan 8.290 nan 0.000 0.408 126 G N -0.019 108.741 108.800 -0.066 0.000 2.432 126 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.219 126 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.219 126 G C 1.604 176.495 174.900 -0.016 0.000 1.135 126 G CA 0.568 45.641 45.100 -0.045 0.000 0.767 126 G HN 0.397 nan 8.290 nan 0.000 0.550 127 R N 0.083 120.569 120.500 -0.024 0.000 2.241 127 R HA -0.005 4.335 4.340 -0.000 0.000 0.224 127 R C 1.642 177.943 176.300 0.002 0.000 1.101 127 R CA 0.837 56.918 56.100 -0.030 0.000 0.995 127 R CB 0.071 30.346 30.300 -0.040 0.000 0.870 127 R HN 0.252 nan 8.270 nan 0.000 0.463 128 E N 0.165 120.408 120.200 0.071 0.000 2.479 128 E HA 0.087 4.437 4.350 -0.000 0.000 0.193 128 E C 0.007 176.634 176.600 0.045 0.000 1.049 128 E CA 0.344 56.781 56.400 0.062 0.000 0.870 128 E CB 0.415 30.183 29.700 0.112 0.000 0.944 128 E HN 0.324 nan 8.360 nan 0.000 0.492 129 I N 2.739 123.351 120.570 0.070 0.000 2.354 129 I HA 0.209 4.379 4.170 -0.000 0.000 0.286 129 I C -2.420 173.695 176.117 -0.003 0.000 1.007 129 I CA -2.377 58.960 61.300 0.062 0.000 1.167 129 I CB 1.500 39.605 38.000 0.175 0.000 1.320 129 I HN -0.338 nan 8.210 nan 0.000 0.458 130 P HA 0.124 nan 4.420 nan 0.000 0.267 130 P C 0.477 177.739 177.300 -0.063 0.000 1.205 130 P CA 0.143 63.168 63.100 -0.124 0.000 0.765 130 P CB 0.947 32.519 31.700 -0.215 0.000 0.828 131 S N 2.046 117.727 115.700 -0.033 0.000 2.382 131 S HA -0.159 4.311 4.470 -0.000 0.000 0.228 131 S C 1.289 175.982 174.600 0.155 0.000 1.027 131 S CA 1.783 60.043 58.200 0.101 0.000 0.991 131 S CB -0.578 62.587 63.200 -0.058 0.000 0.823 131 S HN 0.677 nan 8.310 nan 0.000 0.469 132 D N 0.526 120.868 120.400 -0.096 0.000 2.349 132 D HA 0.236 4.876 4.640 -0.000 0.000 0.215 132 D C 0.294 176.362 176.300 -0.386 0.000 1.016 132 D CA 0.370 54.266 54.000 -0.174 0.000 0.870 132 D CB 0.084 40.711 40.800 -0.289 0.000 0.917 132 D HN 0.271 nan 8.370 nan 0.000 0.524 133 A N 1.101 123.532 122.820 -0.648 0.000 3.277 133 A HA 0.368 4.688 4.320 -0.000 0.000 0.281 133 A C -2.175 174.619 177.584 -1.317 0.000 1.179 133 A CA -0.803 50.357 52.037 -1.462 0.000 0.879 133 A CB 0.976 19.397 19.000 -0.966 0.000 1.374 133 A HN -0.118 nan 8.150 nan 0.000 0.590 134 P HA -0.172 nan 4.420 nan 0.000 0.218 134 P C 1.236 178.326 177.300 -0.350 0.000 1.148 134 P CA 1.476 64.254 63.100 -0.536 0.000 0.822 134 P CB -0.313 31.036 31.700 -0.585 0.000 0.784 135 W N 0.724 121.945 121.300 -0.132 0.000 2.721 135 W HA 0.109 4.769 4.660 -0.000 0.000 0.245 135 W C 1.296 177.766 176.519 -0.081 0.000 1.276 135 W CA 0.383 57.672 57.345 -0.093 0.000 1.342 135 W CB -1.354 28.047 29.460 -0.098 0.000 1.135 135 W HN -0.123 nan 8.180 nan 0.000 0.654 136 K N 0.800 121.008 120.400 -0.319 0.000 2.374 136 K HA 0.305 4.625 4.320 -0.000 0.000 0.196 136 K C 0.906 177.410 176.600 -0.160 0.000 1.023 136 K CA 0.232 56.411 56.287 -0.181 0.000 1.103 136 K CB 0.041 32.395 32.500 -0.244 0.000 0.848 136 K HN 0.102 nan 8.250 nan 0.000 0.528 137 A N 2.505 125.228 122.820 -0.163 0.000 2.540 137 A HA 0.066 4.386 4.320 -0.000 0.000 0.239 137 A C -1.603 175.846 177.584 -0.224 0.000 1.061 137 A CA -0.888 51.048 52.037 -0.169 0.000 0.758 137 A CB 0.075 18.996 19.000 -0.131 0.000 0.991 137 A HN -0.019 nan 8.150 nan 0.000 0.502 138 P HA -0.135 nan 4.420 nan 0.000 0.216 138 P C 0.480 177.583 177.300 -0.329 0.000 1.150 138 P CA 1.268 64.224 63.100 -0.240 0.000 0.843 138 P CB 0.037 31.610 31.700 -0.213 0.000 0.787 139 L N -2.317 118.550 121.223 -0.595 0.000 2.984 139 L HA 0.371 4.711 4.340 -0.000 0.000 0.246 139 L C 1.814 178.280 176.870 -0.674 0.000 1.268 139 L CA -0.311 54.084 54.840 -0.741 0.000 1.054 139 L CB -0.453 40.900 42.059 -1.178 0.000 1.393 139 L HN -0.111 nan 8.230 nan 0.000 0.532 140 A N 0.478 123.088 122.820 -0.351 0.000 1.892 140 A HA -0.211 4.109 4.320 -0.000 0.000 0.218 140 A C 2.196 179.777 177.584 -0.004 0.000 1.188 140 A CA 1.698 53.668 52.037 -0.112 0.000 0.631 140 A CB -0.151 18.835 19.000 -0.024 0.000 0.822 140 A HN 0.503 nan 8.150 nan 0.000 0.447 141 E N -0.882 119.300 120.200 -0.030 0.000 2.051 141 E HA -0.226 4.124 4.350 -0.000 0.000 0.192 141 E C 2.133 178.767 176.600 0.056 0.000 0.991 141 E CA 1.250 57.664 56.400 0.023 0.000 0.799 141 E CB -0.242 29.458 29.700 -0.000 0.000 0.748 141 E HN 0.813 nan 8.360 nan 0.000 0.449 142 E N 0.062 120.265 120.200 0.006 0.000 2.058 142 E HA -0.207 4.143 4.350 -0.000 0.000 0.194 142 E C 1.802 178.565 176.600 0.270 0.000 0.997 142 E CA 1.274 57.725 56.400 0.085 0.000 0.801 142 E CB -0.020 29.689 29.700 0.014 0.000 0.746 142 E HN 0.284 nan 8.360 nan 0.000 0.450 143 W N 0.916 122.257 121.300 0.068 0.000 2.436 143 W HA -0.048 4.612 4.660 -0.000 0.000 0.284 143 W C 1.958 178.548 176.519 0.119 0.000 1.225 143 W CA 0.726 58.124 57.345 0.089 0.000 1.271 143 W CB -0.987 28.524 29.460 0.086 0.000 1.114 143 W HN 0.225 nan 8.180 nan 0.000 0.559 144 D N -0.335 120.262 120.400 0.329 0.000 2.224 144 D HA -0.123 4.517 4.640 -0.000 0.000 0.205 144 D C 1.311 177.738 176.300 0.212 0.000 0.965 144 D CA 0.946 55.104 54.000 0.264 0.000 0.852 144 D CB -0.213 40.716 40.800 0.216 0.000 0.947 144 D HN -0.109 nan 8.370 nan 0.000 0.494 145 N N -0.442 118.366 118.700 0.180 0.000 2.383 145 N HA 0.087 4.827 4.740 -0.000 0.000 0.192 145 N C -0.155 175.435 175.510 0.134 0.000 1.141 145 N CA 0.161 53.294 53.050 0.138 0.000 0.851 145 N CB 0.240 38.791 38.487 0.106 0.000 0.976 145 N HN 0.312 nan 8.380 nan 0.000 0.465 146 M N 0.200 119.898 119.600 0.162 0.000 2.456 146 M HA 0.201 4.681 4.480 -0.000 0.000 0.324 146 M C -0.035 176.349 176.300 0.141 0.000 1.124 146 M CA -0.588 54.795 55.300 0.137 0.000 0.959 146 M CB 1.905 34.595 32.600 0.149 0.000 1.692 146 M HN -0.006 nan 8.290 nan 0.000 0.444 147 T N 0.161 114.780 114.554 0.108 0.000 2.849 147 T HA 0.222 4.572 4.350 -0.000 0.000 0.284 147 T C 1.146 175.890 174.700 0.073 0.000 1.004 147 T CA -0.835 61.326 62.100 0.102 0.000 1.021 147 T CB 0.860 69.780 68.868 0.085 0.000 1.013 147 T HN 0.644 nan 8.240 nan 0.000 0.527 148 M N 0.301 119.929 119.600 0.048 0.000 2.213 148 M HA -0.008 4.472 4.480 -0.000 0.000 0.263 148 M C 2.153 178.432 176.300 -0.034 0.000 1.062 148 M CA 1.587 56.880 55.300 -0.012 0.000 1.105 148 M CB -1.405 31.112 32.600 -0.138 0.000 1.385 148 M HN 0.880 nan 8.290 nan 0.000 0.417 149 K N 0.720 121.106 120.400 -0.024 0.000 2.032 149 K HA -0.166 4.154 4.320 -0.000 0.000 0.209 149 K C 1.699 178.287 176.600 -0.019 0.000 1.048 149 K CA 1.696 57.972 56.287 -0.019 0.000 0.927 149 K CB -0.081 32.438 32.500 0.033 0.000 0.712 149 K HN 0.382 nan 8.250 nan 0.000 0.441 150 E N 0.047 120.249 120.200 0.004 0.000 2.077 150 E HA -0.202 4.148 4.350 -0.000 0.000 0.193 150 E C 1.965 178.561 176.600 -0.007 0.000 0.989 150 E CA 1.232 57.633 56.400 0.002 0.000 0.800 150 E CB -0.184 29.533 29.700 0.028 0.000 0.746 150 E HN 0.214 nan 8.360 nan 0.000 0.452 151 L N 1.122 122.345 121.223 -0.000 0.000 2.017 151 L HA -0.177 4.163 4.340 -0.000 0.000 0.208 151 L C 2.073 178.938 176.870 -0.009 0.000 1.073 151 L CA 1.553 56.387 54.840 -0.010 0.000 0.745 151 L CB -0.356 41.690 42.059 -0.022 0.000 0.894 151 L HN 0.131 nan 8.230 nan 0.000 0.432 152 L N -0.886 120.322 121.223 -0.025 0.000 2.083 152 L HA -0.214 4.126 4.340 -0.000 0.000 0.209 152 L C 2.219 179.025 176.870 -0.107 0.000 1.083 152 L CA 1.334 56.127 54.840 -0.079 0.000 0.752 152 L CB -0.966 41.004 42.059 -0.147 0.000 0.899 152 L HN 0.284 nan 8.230 nan 0.000 0.433 153 D N 0.301 120.644 120.400 -0.094 0.000 2.144 153 D HA -0.160 4.480 4.640 -0.000 0.000 0.199 153 D C 2.218 178.434 176.300 -0.140 0.000 0.984 153 D CA 1.213 55.141 54.000 -0.120 0.000 0.834 153 D CB 0.031 40.773 40.800 -0.095 0.000 0.955 153 D HN 0.242 nan 8.370 nan 0.000 0.465 154 K N -0.161 120.188 120.400 -0.085 0.000 2.062 154 K HA 0.056 4.376 4.320 -0.000 0.000 0.205 154 K C 2.221 178.814 176.600 -0.012 0.000 1.051 154 K CA 0.489 56.740 56.287 -0.060 0.000 0.941 154 K CB 0.066 32.562 32.500 -0.006 0.000 0.719 154 K HN 0.091 nan 8.250 nan 0.000 0.440 155 L N 0.327 121.563 121.223 0.021 0.000 2.095 155 L HA -0.040 4.300 4.340 -0.000 0.000 0.204 155 L C 0.663 177.632 176.870 0.164 0.000 1.080 155 L CA 0.165 55.071 54.840 0.109 0.000 0.759 155 L CB 0.057 42.188 42.059 0.120 0.000 0.914 155 L HN 0.164 nan 8.230 nan 0.000 0.439 156 C N -0.348 118.958 119.300 0.010 0.000 2.303 156 C HA 0.089 4.549 4.460 -0.000 0.000 0.341 156 C C 0.870 175.861 174.990 0.001 0.000 1.244 156 C CA -0.950 58.052 59.018 -0.026 0.000 1.765 156 C CB -0.704 26.901 27.740 -0.224 0.000 2.379 156 C HN 0.465 nan 8.230 nan 0.000 0.530 157 W N 1.771 123.019 121.300 -0.087 0.000 3.077 157 W HA 0.125 4.785 4.660 -0.000 0.000 0.266 157 W C 1.437 177.929 176.519 -0.046 0.000 1.300 157 W CA 0.135 57.449 57.345 -0.053 0.000 1.586 157 W CB -0.157 29.283 29.460 -0.033 0.000 1.103 157 W HN 0.680 nan 8.180 nan 0.000 0.652 158 T N -3.369 111.253 114.554 0.113 0.000 2.885 158 T HA 0.297 4.647 4.350 -0.000 0.000 0.285 158 T C 0.838 175.529 174.700 -0.015 0.000 1.019 158 T CA -0.617 61.519 62.100 0.062 0.000 1.010 158 T CB 2.584 71.512 68.868 0.100 0.000 1.022 158 T HN -0.235 nan 8.240 nan 0.000 0.466 159 E N 1.032 121.227 120.200 -0.007 0.000 2.150 159 E HA -0.099 4.251 4.350 -0.000 0.000 0.193 159 E C 2.155 178.743 176.600 -0.020 0.000 0.985 159 E CA 1.156 57.539 56.400 -0.029 0.000 0.814 159 E CB -0.411 29.282 29.700 -0.011 0.000 0.752 159 E HN 0.742 nan 8.360 nan 0.000 0.466 160 S N 0.577 116.301 115.700 0.040 0.000 2.353 160 S HA -0.203 4.267 4.470 -0.000 0.000 0.222 160 S C 2.084 176.699 174.600 0.025 0.000 1.035 160 S CA 1.720 59.994 58.200 0.123 0.000 1.025 160 S CB -0.119 63.231 63.200 0.250 0.000 0.902 160 S HN 0.299 nan 8.310 nan 0.000 0.440 161 A N 1.220 123.925 122.820 -0.190 0.000 1.898 161 A HA -0.056 4.264 4.320 -0.000 0.000 0.216 161 A C 2.195 179.412 177.584 -0.611 0.000 1.181 161 A CA 1.787 53.373 52.037 -0.753 0.000 0.620 161 A CB -0.728 17.837 19.000 -0.725 0.000 0.819 161 A HN 0.646 nan 8.150 nan 0.000 0.442 162 K N -0.532 119.636 120.400 -0.387 0.000 2.057 162 K HA -0.206 4.114 4.320 -0.000 0.000 0.207 162 K C 2.246 178.696 176.600 -0.249 0.000 1.049 162 K CA 1.740 57.820 56.287 -0.346 0.000 0.931 162 K CB -0.180 32.189 32.500 -0.218 0.000 0.714 162 K HN 0.637 nan 8.250 nan 0.000 0.440 163 Q N 0.260 119.977 119.800 -0.139 0.000 2.079 163 Q HA -0.160 4.180 4.340 -0.000 0.000 0.200 163 Q C 2.095 178.091 176.000 -0.006 0.000 0.974 163 Q CA 1.240 57.019 55.803 -0.040 0.000 0.840 163 Q CB -0.068 28.685 28.738 0.025 0.000 0.898 163 Q HN 0.199 nan 8.270 nan 0.000 0.430 164 L N 0.453 121.663 121.223 -0.022 0.000 2.056 164 L HA -0.065 4.275 4.340 -0.000 0.000 0.207 164 L C 2.111 179.001 176.870 0.034 0.000 1.078 164 L CA 1.891 56.779 54.840 0.079 0.000 0.749 164 L CB -0.781 41.369 42.059 0.151 0.000 0.901 164 L HN 0.136 nan 8.230 nan 0.000 0.433 165 A N -1.711 120.907 122.820 -0.336 0.000 1.933 165 A HA -0.207 4.113 4.320 -0.000 0.000 0.218 165 A C 2.266 179.806 177.584 -0.074 0.000 1.175 165 A CA 2.289 54.038 52.037 -0.481 0.000 0.628 165 A CB -1.127 17.091 19.000 -1.304 0.000 0.814 165 A HN 0.493 nan 8.150 nan 0.000 0.444 166 T N 0.034 114.529 114.554 -0.099 0.000 2.737 166 T HA -0.108 4.242 4.350 -0.000 0.000 0.265 166 T C 1.871 176.605 174.700 0.058 0.000 1.038 166 T CA 1.322 63.399 62.100 -0.039 0.000 1.144 166 T CB -0.404 68.438 68.868 -0.043 0.000 0.866 166 T HN 0.399 nan 8.240 nan 0.000 0.434 167 L N 0.209 121.511 121.223 0.132 0.000 2.013 167 L HA -0.120 4.220 4.340 -0.000 0.000 0.212 167 L C 2.240 179.271 176.870 0.269 0.000 1.073 167 L CA 1.654 56.617 54.840 0.206 0.000 0.753 167 L CB -0.404 41.811 42.059 0.260 0.000 0.890 167 L HN 0.233 nan 8.230 nan 0.000 0.432 168 F N -0.327 119.750 119.950 0.212 0.000 2.091 168 F HA -0.264 4.263 4.527 -0.000 0.000 0.299 168 F C 2.118 178.077 175.800 0.265 0.000 1.103 168 F CA 2.195 60.384 58.000 0.314 0.000 1.228 168 F CB -0.593 38.721 39.000 0.523 0.000 0.984 168 F HN -0.127 nan 8.300 nan 0.000 0.477 169 V N 1.041 120.995 119.914 0.067 0.000 2.261 169 V HA -0.364 3.756 4.120 -0.000 0.000 0.246 169 V C 2.028 178.031 176.094 -0.151 0.000 1.047 169 V CA 2.483 64.619 62.300 -0.274 0.000 1.015 169 V CB -1.098 30.417 31.823 -0.513 0.000 0.642 169 V HN 0.420 nan 8.190 nan 0.000 0.446 170 N N 0.121 118.774 118.700 -0.077 0.000 2.061 170 N HA -0.239 4.501 4.740 -0.000 0.000 0.193 170 N C 1.769 177.259 175.510 -0.034 0.000 1.030 170 N CA 1.475 54.492 53.050 -0.055 0.000 0.856 170 N CB -0.267 38.228 38.487 0.014 0.000 1.023 170 N HN 0.336 nan 8.380 nan 0.000 0.424 171 L N 0.832 122.076 121.223 0.035 0.000 2.056 171 L HA -0.051 4.289 4.340 -0.000 0.000 0.207 171 L C 2.022 178.945 176.870 0.089 0.000 1.078 171 L CA 1.483 56.371 54.840 0.081 0.000 0.749 171 L CB -0.507 41.629 42.059 0.128 0.000 0.901 171 L HN 0.253 nan 8.230 nan 0.000 0.433 172 C N -1.469 117.839 119.300 0.013 0.000 2.440 172 C HA -0.009 4.451 4.460 -0.000 0.000 0.278 172 C C 2.179 177.268 174.990 0.165 0.000 1.295 172 C CA 0.888 59.966 59.018 0.100 0.000 1.738 172 C CB -0.577 27.140 27.740 -0.040 0.000 1.987 172 C HN 0.568 nan 8.230 nan 0.000 0.492 173 V N -1.987 117.934 119.914 0.011 0.000 3.166 173 V HA 0.303 4.422 4.120 -0.000 0.000 0.332 173 V C 0.767 176.718 176.094 -0.240 0.000 1.434 173 V CA 0.749 63.006 62.300 -0.072 0.000 1.121 173 V CB -1.373 30.546 31.823 0.160 0.000 1.062 173 V HN 0.516 nan 8.190 nan 0.000 0.489 174 T N -1.536 112.789 114.554 -0.381 0.000 3.760 174 T HA -0.096 4.254 4.350 -0.000 0.000 0.366 174 T C 0.153 174.688 174.700 -0.276 0.000 0.761 174 T CA 1.377 63.243 62.100 -0.391 0.000 1.887 174 T CB -2.551 65.952 68.868 -0.608 0.000 1.811 174 T HN 2.450 nan 8.240 nan 0.000 0.749 175 A N -0.371 122.278 122.820 -0.285 0.000 2.587 175 A HA 0.719 5.039 4.320 -0.000 0.000 0.293 175 A C -0.417 176.960 177.584 -0.346 0.000 1.087 175 A CA -1.059 50.734 52.037 -0.406 0.000 0.692 175 A CB 1.232 19.763 19.000 -0.781 0.000 1.291 175 A HN 0.333 nan 8.150 nan 0.000 0.407 176 E N 0.594 120.543 120.200 -0.418 0.000 2.373 176 E HA 0.225 4.575 4.350 -0.000 0.000 0.263 176 E C 1.288 177.599 176.600 -0.482 0.000 1.073 176 E CA 0.554 56.676 56.400 -0.462 0.000 0.894 176 E CB 0.835 30.050 29.700 -0.808 0.000 1.008 176 E HN 0.810 nan 8.360 nan 0.000 0.420 177 T N -1.179 113.169 114.554 -0.342 0.000 2.803 177 T HA -0.222 4.128 4.350 -0.000 0.000 0.269 177 T C 1.453 176.047 174.700 -0.177 0.000 1.052 177 T CA 1.771 63.726 62.100 -0.243 0.000 1.136 177 T CB -0.407 68.368 68.868 -0.154 0.000 0.864 177 T HN 0.636 nan 8.240 nan 0.000 0.467 178 H N 0.585 119.604 119.070 -0.085 0.000 2.547 178 H HA 0.252 4.808 4.556 -0.000 0.000 0.272 178 H C 1.467 176.772 175.328 -0.039 0.000 0.989 178 H CA 0.829 56.845 56.048 -0.053 0.000 1.214 178 H CB -0.178 29.552 29.762 -0.053 0.000 1.389 178 H HN 0.508 nan 8.280 nan 0.000 0.577 179 E N 1.368 121.389 120.200 -0.299 0.000 2.318 179 E HA 0.053 4.403 4.350 -0.000 0.000 0.193 179 E C 0.752 177.320 176.600 -0.054 0.000 0.998 179 E CA 0.378 56.680 56.400 -0.165 0.000 0.859 179 E CB 0.874 30.334 29.700 -0.399 0.000 0.812 179 E HN 0.357 nan 8.360 nan 0.000 0.492 180 V N -0.977 118.899 119.914 -0.063 0.000 2.581 180 V HA 0.424 4.544 4.120 -0.000 0.000 0.303 180 V C -0.001 176.236 176.094 0.238 0.000 1.041 180 V CA -1.172 61.200 62.300 0.121 0.000 0.907 180 V CB 1.850 33.789 31.823 0.195 0.000 0.994 180 V HN -0.026 nan 8.190 nan 0.000 0.442 181 S N 3.412 119.327 115.700 0.357 0.000 2.549 181 S HA 0.435 4.905 4.470 -0.000 0.000 0.286 181 S C 1.438 176.295 174.600 0.429 0.000 1.314 181 S CA 0.206 58.631 58.200 0.375 0.000 1.062 181 S CB 0.965 64.418 63.200 0.422 0.000 0.865 181 S HN 1.765 nan 8.310 nan 0.000 0.498 182 A N 4.772 127.776 122.820 0.307 0.000 1.898 182 A HA -0.010 4.310 4.320 -0.000 0.000 0.216 182 A C 2.015 179.782 177.584 0.305 0.000 1.181 182 A CA 1.542 53.732 52.037 0.256 0.000 0.620 182 A CB -0.892 18.183 19.000 0.126 0.000 0.819 182 A HN 0.961 nan 8.150 nan 0.000 0.442 183 L N -1.407 120.039 121.223 0.372 0.000 1.989 183 L HA -0.155 4.185 4.340 -0.000 0.000 0.211 183 L C 2.238 179.348 176.870 0.400 0.000 1.071 183 L CA 2.569 57.656 54.840 0.412 0.000 0.749 183 L CB -0.807 41.498 42.059 0.410 0.000 0.890 183 L HN 0.649 nan 8.230 nan 0.000 0.431 184 W N -0.467 121.003 121.300 0.283 0.000 2.335 184 W HA -0.306 4.354 4.660 -0.000 0.000 0.311 184 W C 2.349 179.149 176.519 0.468 0.000 1.213 184 W CA 2.092 59.629 57.345 0.320 0.000 1.274 184 W CB -0.692 28.940 29.460 0.287 0.000 1.148 184 W HN 0.303 nan 8.180 nan 0.000 0.498 185 F N 0.649 120.677 119.950 0.130 0.000 2.146 185 F HA -0.144 4.383 4.527 -0.000 0.000 0.298 185 F C 2.080 177.814 175.800 -0.110 0.000 1.096 185 F CA 2.065 59.949 58.000 -0.194 0.000 1.275 185 F CB -0.655 38.382 39.000 0.062 0.000 1.008 185 F HN -0.172 nan 8.300 nan 0.000 0.480 186 L N -1.298 119.944 121.223 0.032 0.000 2.083 186 L HA -0.202 4.138 4.340 -0.000 0.000 0.209 186 L C 2.268 179.063 176.870 -0.125 0.000 1.083 186 L CA 1.540 56.330 54.840 -0.083 0.000 0.752 186 L CB -0.963 41.065 42.059 -0.051 0.000 0.899 186 L HN 0.444 nan 8.230 nan 0.000 0.433 187 W N -0.005 121.169 121.300 -0.210 0.000 2.355 187 W HA -0.299 4.361 4.660 -0.000 0.000 0.309 187 W C 2.611 178.922 176.519 -0.348 0.000 1.206 187 W CA 1.440 58.646 57.345 -0.231 0.000 1.284 187 W CB -0.617 28.741 29.460 -0.170 0.000 1.145 187 W HN 0.102 nan 8.180 nan 0.000 0.502 188 Y N 0.719 120.555 120.300 -0.774 0.000 2.114 188 Y HA -0.310 4.240 4.550 -0.000 0.000 0.282 188 Y C 2.375 177.723 175.900 -0.920 0.000 1.165 188 Y CA 3.042 60.489 58.100 -1.087 0.000 1.148 188 Y CB -0.821 36.968 38.460 -1.119 0.000 0.972 188 Y HN -0.132 nan 8.280 nan 0.000 0.504 189 V N 0.742 120.230 119.914 -0.710 0.000 2.307 189 V HA -0.290 3.830 4.120 -0.000 0.000 0.245 189 V C 2.304 178.063 176.094 -0.558 0.000 1.045 189 V CA 2.225 64.184 62.300 -0.568 0.000 1.024 189 V CB -0.782 30.802 31.823 -0.398 0.000 0.651 189 V HN 0.394 nan 8.190 nan 0.000 0.449 190 K N 2.290 122.383 120.400 -0.512 0.000 2.057 190 K HA -0.263 4.057 4.320 -0.000 0.000 0.207 190 K C 1.953 178.221 176.600 -0.553 0.000 1.049 190 K CA 2.326 58.352 56.287 -0.435 0.000 0.931 190 K CB -0.692 31.628 32.500 -0.299 0.000 0.714 190 K HN 0.596 nan 8.250 nan 0.000 0.440 191 Q N -0.642 118.684 119.800 -0.791 0.000 2.515 191 Q HA 0.047 4.387 4.340 -0.000 0.000 0.212 191 Q C 1.089 176.567 176.000 -0.870 0.000 0.970 191 Q CA 1.148 56.483 55.803 -0.782 0.000 0.941 191 Q CB -0.535 27.568 28.738 -1.058 0.000 0.998 191 Q HN 0.326 nan 8.270 nan 0.000 0.518 192 C N -0.025 118.619 119.300 -1.093 0.000 2.791 192 C HA 0.609 5.069 4.460 -0.000 0.000 0.270 192 C C 1.527 175.775 174.990 -1.237 0.000 1.257 192 C CA 0.174 58.159 59.018 -1.722 0.000 1.699 192 C CB -0.789 25.952 27.740 -1.665 0.000 1.904 192 C HN 0.832 nan 8.230 nan 0.000 0.603 193 G N 0.168 108.569 108.800 -0.665 0.000 2.159 193 G HA2 0.283 4.243 3.960 -0.000 0.000 0.227 193 G HA3 0.283 4.243 3.960 -0.000 0.000 0.227 193 G C 0.455 175.189 174.900 -0.277 0.000 0.986 193 G CA 0.031 44.912 45.100 -0.364 0.000 0.651 193 G HN 1.639 nan 8.290 nan 0.000 0.523 194 G N -2.144 106.466 108.800 -0.316 0.000 2.592 194 G HA2 0.333 4.293 3.960 -0.000 0.000 0.684 194 G HA3 0.333 4.293 3.960 -0.000 0.000 0.684 194 G C 1.002 175.824 174.900 -0.130 0.000 1.291 194 G CA 0.915 45.889 45.100 -0.209 0.000 0.891 194 G HN 1.816 nan 8.290 nan 0.000 0.544 195 T N -2.698 111.811 114.554 -0.076 0.000 2.684 195 T HA -0.129 4.221 4.350 -0.000 0.000 0.267 195 T C 2.361 177.047 174.700 -0.024 0.000 1.036 195 T CA 2.949 65.047 62.100 -0.003 0.000 1.148 195 T CB -0.867 67.930 68.868 -0.119 0.000 0.863 195 T HN 0.970 nan 8.240 nan 0.000 0.436 196 T N 1.413 115.928 114.554 -0.066 0.000 2.652 196 T HA -0.077 4.273 4.350 -0.000 0.000 0.267 196 T C 2.137 176.889 174.700 0.087 0.000 1.039 196 T CA 1.656 63.793 62.100 0.062 0.000 1.153 196 T CB -0.344 68.576 68.868 0.086 0.000 0.863 196 T HN 0.306 nan 8.240 nan 0.000 0.428 197 R N 0.828 121.345 120.500 0.029 0.000 2.081 197 R HA 0.118 4.458 4.340 -0.000 0.000 0.235 197 R C 2.224 178.588 176.300 0.106 0.000 1.131 197 R CA 1.197 57.328 56.100 0.053 0.000 0.960 197 R CB -0.845 29.451 30.300 -0.007 0.000 0.856 197 R HN 0.475 nan 8.270 nan 0.000 0.436 198 I N 0.058 120.652 120.570 0.041 0.000 2.315 198 I HA -0.172 3.998 4.170 -0.000 0.000 0.248 198 I C 1.015 177.229 176.117 0.161 0.000 1.117 198 I CA 1.232 62.588 61.300 0.092 0.000 1.404 198 I CB 0.126 38.120 38.000 -0.009 0.000 1.071 198 I HN 0.248 nan 8.210 nan 0.000 0.419 199 I N -2.321 118.357 120.570 0.181 0.000 3.860 199 I HA 0.202 4.372 4.170 -0.000 0.000 0.319 199 I C 0.834 176.995 176.117 0.073 0.000 1.279 199 I CA -0.028 61.359 61.300 0.144 0.000 1.220 199 I CB -0.409 37.756 38.000 0.276 0.000 1.027 199 I HN -0.143 nan 8.210 nan 0.000 0.428 200 S N 1.082 116.825 115.700 0.072 0.000 2.584 200 S HA 0.327 4.797 4.470 -0.000 0.000 0.273 200 S C 1.117 175.702 174.600 -0.025 0.000 1.311 200 S CA -0.215 57.994 58.200 0.015 0.000 1.034 200 S CB 1.452 64.652 63.200 0.001 0.000 0.939 200 S HN 0.318 nan 8.310 nan 0.000 0.513 201 T N 2.260 116.791 114.554 -0.040 0.000 2.764 201 T HA 0.019 4.369 4.350 -0.000 0.000 0.243 201 T C 0.618 175.281 174.700 -0.061 0.000 1.065 201 T CA 0.691 62.752 62.100 -0.065 0.000 1.219 201 T CB -0.349 68.492 68.868 -0.045 0.000 0.918 201 T HN 0.606 nan 8.240 nan 0.000 0.409 202 T N 3.567 118.087 114.554 -0.057 0.000 2.871 202 T HA 0.094 4.444 4.350 -0.000 0.000 0.296 202 T C 0.721 175.392 174.700 -0.047 0.000 0.998 202 T CA 0.427 62.496 62.100 -0.052 0.000 1.162 202 T CB -0.183 68.652 68.868 -0.054 0.000 0.947 202 T HN 0.529 nan 8.240 nan 0.000 0.536 203 N N 0.841 119.519 118.700 -0.037 0.000 2.741 203 N HA -0.148 4.592 4.740 -0.000 0.000 0.251 203 N C 0.131 175.639 175.510 -0.002 0.000 1.112 203 N CA 1.423 54.461 53.050 -0.021 0.000 0.750 203 N CB -1.058 37.421 38.487 -0.014 0.000 1.119 203 N HN 0.948 nan 8.380 nan 0.000 0.561 204 G N -3.119 105.673 108.800 -0.014 0.000 2.975 204 G HA2 0.572 4.532 3.960 -0.000 0.000 0.291 204 G HA3 0.572 4.532 3.960 -0.000 0.000 0.291 204 G C 0.953 175.833 174.900 -0.034 0.000 1.334 204 G CA -0.046 45.068 45.100 0.023 0.000 0.843 204 G HN 0.304 nan 8.290 nan 0.000 0.548 205 G N -0.960 107.850 108.800 0.017 0.000 2.470 205 G HA2 -0.002 3.958 3.960 -0.000 0.000 0.220 205 G HA3 -0.002 3.958 3.960 -0.000 0.000 0.220 205 G C 1.168 175.987 174.900 -0.135 0.000 1.121 205 G CA 0.951 45.958 45.100 -0.155 0.000 0.766 205 G HN 0.403 nan 8.290 nan 0.000 0.553 206 Q N -0.399 119.323 119.800 -0.130 0.000 2.204 206 Q HA 0.269 4.609 4.340 -0.000 0.000 0.209 206 Q C 1.687 177.599 176.000 -0.146 0.000 0.861 206 Q CA -0.136 55.526 55.803 -0.234 0.000 0.971 206 Q CB 0.668 29.148 28.738 -0.431 0.000 1.095 206 Q HN 0.599 nan 8.270 nan 0.000 0.486 207 E N 0.494 120.624 120.200 -0.116 0.000 2.110 207 E HA -0.092 4.258 4.350 -0.000 0.000 0.193 207 E C -0.042 176.489 176.600 -0.115 0.000 0.988 207 E CA 0.809 57.148 56.400 -0.102 0.000 0.804 207 E CB 0.416 30.054 29.700 -0.103 0.000 0.745 207 E HN 0.152 nan 8.360 nan 0.000 0.458 208 R N -0.860 119.547 120.500 -0.155 0.000 2.774 208 R HA 0.408 4.748 4.340 -0.000 0.000 0.272 208 R C -0.975 175.095 176.300 -0.383 0.000 1.000 208 R CA -0.768 55.155 56.100 -0.295 0.000 0.906 208 R CB 1.973 32.080 30.300 -0.320 0.000 1.227 208 R HN -0.161 nan 8.270 nan 0.000 0.468 209 K N 1.081 121.082 120.400 -0.665 0.000 2.400 209 K HA 0.421 4.741 4.320 -0.000 0.000 0.246 209 K C -0.912 175.359 176.600 -0.547 0.000 0.995 209 K CA -0.780 55.126 56.287 -0.635 0.000 0.840 209 K CB 1.602 33.788 32.500 -0.523 0.000 1.293 209 K HN 0.260 nan 8.250 nan 0.000 0.445 210 F N 0.958 120.846 119.950 -0.102 0.000 2.410 210 F HA 0.119 4.646 4.527 -0.000 0.000 0.348 210 F C 0.702 176.574 175.800 0.120 0.000 1.106 210 F CA -1.004 56.990 58.000 -0.010 0.000 1.163 210 F CB 1.047 40.018 39.000 -0.050 0.000 1.129 210 F HN 0.014 nan 8.300 nan 0.000 0.516 211 V N 3.696 123.828 119.914 0.363 0.000 2.493 211 V HA 0.213 4.333 4.120 -0.000 0.000 0.292 211 V C 0.937 176.943 176.094 -0.145 0.000 1.016 211 V CA 1.272 63.701 62.300 0.215 0.000 1.097 211 V CB 0.136 32.058 31.823 0.166 0.000 0.947 211 V HN 1.109 nan 8.190 nan 0.000 0.479 212 G N 3.370 111.703 108.800 -0.779 0.000 2.195 212 G HA2 0.131 4.091 3.960 -0.000 0.000 0.246 212 G HA3 0.131 4.091 3.960 -0.000 0.000 0.246 212 G C 0.786 175.169 174.900 -0.862 0.000 0.984 212 G CA -0.075 44.268 45.100 -1.262 0.000 0.633 212 G HN 2.417 nan 8.290 nan 0.000 0.525 213 G N -1.437 107.164 108.800 -0.332 0.000 2.697 213 G HA2 0.373 4.333 3.960 -0.000 0.000 0.686 213 G HA3 0.373 4.333 3.960 -0.000 0.000 0.686 213 G C 0.819 175.740 174.900 0.035 0.000 1.179 213 G CA 0.871 45.964 45.100 -0.013 0.000 0.765 213 G HN 1.884 nan 8.290 nan 0.000 0.649 214 S N 0.058 115.835 115.700 0.129 0.000 2.453 214 S HA 0.114 4.584 4.470 -0.000 0.000 0.231 214 S C 2.545 177.143 174.600 -0.003 0.000 1.005 214 S CA 1.681 59.958 58.200 0.129 0.000 0.949 214 S CB -0.110 63.224 63.200 0.222 0.000 0.774 214 S HN 2.197 nan 8.310 nan 0.000 0.510 215 G N 1.318 110.125 108.800 0.011 0.000 2.479 215 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.220 215 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.220 215 G C 1.446 176.324 174.900 -0.038 0.000 1.115 215 G CA 0.660 45.768 45.100 0.013 0.000 0.757 215 G HN 0.650 nan 8.290 nan 0.000 0.560 216 Q N -0.227 119.517 119.800 -0.095 0.000 2.226 216 Q HA -0.040 4.300 4.340 -0.000 0.000 0.204 216 Q C 2.735 178.647 176.000 -0.147 0.000 0.975 216 Q CA 0.921 56.649 55.803 -0.126 0.000 0.866 216 Q CB -0.163 28.475 28.738 -0.167 0.000 0.915 216 Q HN 0.424 nan 8.270 nan 0.000 0.440 217 V N 0.358 120.158 119.914 -0.190 0.000 2.233 217 V HA -0.297 3.823 4.120 -0.000 0.000 0.247 217 V C 2.139 178.173 176.094 -0.099 0.000 1.050 217 V CA 2.177 64.364 62.300 -0.189 0.000 1.010 217 V CB -0.601 31.092 31.823 -0.216 0.000 0.637 217 V HN 0.300 nan 8.190 nan 0.000 0.444 218 S N -0.889 114.778 115.700 -0.056 0.000 2.383 218 S HA -0.182 4.288 4.470 -0.000 0.000 0.227 218 S C 1.922 176.505 174.600 -0.028 0.000 1.026 218 S CA 1.373 59.558 58.200 -0.025 0.000 0.981 218 S CB -0.247 62.961 63.200 0.012 0.000 0.818 218 S HN 0.671 nan 8.310 nan 0.000 0.472 219 E N 0.954 121.136 120.200 -0.030 0.000 2.077 219 E HA -0.091 4.259 4.350 -0.000 0.000 0.193 219 E C 2.334 178.907 176.600 -0.044 0.000 0.989 219 E CA 0.894 57.277 56.400 -0.028 0.000 0.800 219 E CB -0.050 29.633 29.700 -0.028 0.000 0.746 219 E HN 0.333 nan 8.360 nan 0.000 0.452 220 R N 0.100 120.563 120.500 -0.062 0.000 2.148 220 R HA -0.008 4.332 4.340 -0.000 0.000 0.223 220 R C 2.266 178.531 176.300 -0.060 0.000 1.088 220 R CA 0.718 56.779 56.100 -0.064 0.000 0.985 220 R CB -0.072 30.180 30.300 -0.080 0.000 0.880 220 R HN 0.202 nan 8.270 nan 0.000 0.451 221 I N 0.485 121.019 120.570 -0.060 0.000 2.315 221 I HA -0.266 3.904 4.170 -0.000 0.000 0.248 221 I C 2.583 178.659 176.117 -0.067 0.000 1.117 221 I CA 1.051 62.315 61.300 -0.059 0.000 1.404 221 I CB -0.128 37.842 38.000 -0.051 0.000 1.071 221 I HN 0.208 nan 8.210 nan 0.000 0.419 222 M N 0.861 120.428 119.600 -0.055 0.000 2.108 222 M HA -0.256 4.224 4.480 -0.000 0.000 0.261 222 M C 1.676 177.940 176.300 -0.059 0.000 1.066 222 M CA 1.973 57.240 55.300 -0.054 0.000 1.107 222 M CB -0.207 32.372 32.600 -0.035 0.000 1.356 222 M HN 0.136 nan 8.290 nan 0.000 0.406 223 D N 0.720 121.089 120.400 -0.051 0.000 2.104 223 D HA -0.170 4.470 4.640 -0.000 0.000 0.194 223 D C 2.045 178.310 176.300 -0.058 0.000 0.994 223 D CA 1.493 55.465 54.000 -0.046 0.000 0.830 223 D CB -0.516 40.260 40.800 -0.039 0.000 0.959 223 D HN 0.437 nan 8.370 nan 0.000 0.452 224 L N 0.076 121.257 121.223 -0.070 0.000 2.201 224 L HA -0.090 4.250 4.340 -0.000 0.000 0.212 224 L C 2.262 179.027 176.870 -0.174 0.000 1.105 224 L CA 0.533 55.322 54.840 -0.085 0.000 0.775 224 L CB -0.127 41.891 42.059 -0.068 0.000 0.913 224 L HN 0.026 nan 8.230 nan 0.000 0.440 225 L N -1.378 119.729 121.223 -0.193 0.000 2.529 225 L HA 0.188 4.528 4.340 -0.000 0.000 0.223 225 L C 1.647 178.416 176.870 -0.168 0.000 1.113 225 L CA 0.342 55.013 54.840 -0.282 0.000 0.861 225 L CB -0.445 41.481 42.059 -0.220 0.000 1.012 225 L HN 0.400 nan 8.230 nan 0.000 0.461 226 G N 2.022 110.761 108.800 -0.101 0.000 2.591 226 G HA2 -0.446 3.514 3.960 -0.000 0.000 0.298 226 G HA3 -0.446 3.514 3.960 -0.000 0.000 0.298 226 G C 0.549 175.425 174.900 -0.040 0.000 1.195 226 G CA 0.527 45.594 45.100 -0.055 0.000 0.989 226 G HN 0.500 nan 8.290 nan 0.000 0.551 227 D N 0.964 121.351 120.400 -0.022 0.000 2.349 227 D HA 0.064 4.704 4.640 -0.000 0.000 0.224 227 D C 2.066 178.365 176.300 -0.002 0.000 1.029 227 D CA 0.661 54.657 54.000 -0.005 0.000 0.879 227 D CB -0.290 40.515 40.800 0.009 0.000 0.906 227 D HN 0.618 nan 8.370 nan 0.000 0.528 228 R N -0.022 120.465 120.500 -0.023 0.000 2.189 228 R HA 0.084 4.424 4.340 -0.000 0.000 0.218 228 R C 0.345 176.624 176.300 -0.035 0.000 1.074 228 R CA 0.302 56.390 56.100 -0.020 0.000 0.991 228 R CB 0.232 30.505 30.300 -0.045 0.000 0.883 228 R HN 0.075 nan 8.270 nan 0.000 0.457 229 V N 3.097 122.985 119.914 -0.043 0.000 2.432 229 V HA 0.096 4.216 4.120 -0.000 0.000 0.271 229 V C -0.059 176.013 176.094 -0.036 0.000 1.046 229 V CA -0.294 61.977 62.300 -0.048 0.000 0.945 229 V CB 1.242 33.037 31.823 -0.046 0.000 0.992 229 V HN 0.060 nan 8.190 nan 0.000 0.471 230 K N 6.552 126.920 120.400 -0.055 0.000 2.334 230 K HA 0.529 4.849 4.320 -0.000 0.000 0.265 230 K C -0.686 175.887 176.600 -0.046 0.000 1.039 230 K CA -0.342 55.923 56.287 -0.036 0.000 0.920 230 K CB 1.820 34.296 32.500 -0.041 0.000 1.160 230 K HN 0.499 nan 8.250 nan 0.000 0.451 231 L N 1.693 122.900 121.223 -0.027 0.000 2.418 231 L HA 0.148 4.488 4.340 -0.000 0.000 0.265 231 L C 0.678 177.528 176.870 -0.033 0.000 1.143 231 L CA -0.136 54.684 54.840 -0.034 0.000 0.809 231 L CB 0.178 42.226 42.059 -0.020 0.000 1.124 231 L HN 0.706 nan 8.230 nan 0.000 0.456 232 E N 0.715 120.882 120.200 -0.055 0.000 2.389 232 E HA -0.228 4.122 4.350 -0.000 0.000 0.243 232 E C -0.517 176.058 176.600 -0.042 0.000 1.154 232 E CA 0.295 56.663 56.400 -0.054 0.000 0.723 232 E CB -0.761 28.926 29.700 -0.022 0.000 1.261 232 E HN 0.368 nan 8.360 nan 0.000 0.390 233 R N 0.195 120.654 120.500 -0.069 0.000 2.724 233 R HA 0.246 4.586 4.340 -0.000 0.000 0.284 233 R C -2.722 173.523 176.300 -0.092 0.000 1.481 233 R CA -1.956 54.117 56.100 -0.046 0.000 1.652 233 R CB 0.645 30.919 30.300 -0.044 0.000 1.175 233 R HN -0.023 nan 8.270 nan 0.000 0.613 234 P HA 0.019 nan 4.420 nan 0.000 0.271 234 P C -0.303 176.989 177.300 -0.014 0.000 1.226 234 P CA -0.171 62.857 63.100 -0.121 0.000 0.765 234 P CB 0.941 32.589 31.700 -0.086 0.000 0.835 235 V N 5.598 125.505 119.914 -0.010 0.000 2.555 235 V HA 0.043 4.163 4.120 -0.000 0.000 0.286 235 V C 1.696 177.818 176.094 0.046 0.000 1.044 235 V CA 0.476 62.783 62.300 0.013 0.000 1.026 235 V CB 0.296 32.111 31.823 -0.013 0.000 0.981 235 V HN 0.530 nan 8.190 nan 0.000 0.480 236 I N 1.926 122.531 120.570 0.058 0.000 4.323 236 I HA 0.451 4.621 4.170 -0.000 0.000 0.328 236 I C -0.006 176.191 176.117 0.132 0.000 1.310 236 I CA 0.108 61.464 61.300 0.092 0.000 1.186 236 I CB 0.571 38.602 38.000 0.052 0.000 1.130 236 I HN 0.486 nan 8.210 nan 0.000 0.411 237 Y N 1.854 122.093 120.300 -0.101 0.000 2.390 237 Y HA 0.672 5.222 4.550 -0.000 0.000 0.324 237 Y C -1.846 173.968 175.900 -0.142 0.000 1.151 237 Y CA -1.510 56.510 58.100 -0.133 0.000 1.053 237 Y CB 1.574 39.976 38.460 -0.097 0.000 1.277 237 Y HN -0.019 nan 8.280 nan 0.000 0.432 238 I N 5.898 126.058 120.570 -0.683 0.000 2.418 238 I HA 0.298 4.468 4.170 -0.000 0.000 0.287 238 I C -1.210 174.518 176.117 -0.648 0.000 1.008 238 I CA -0.679 60.306 61.300 -0.525 0.000 1.104 238 I CB 1.682 39.525 38.000 -0.261 0.000 1.264 238 I HN 0.523 nan 8.210 nan 0.000 0.438 239 D N 6.144 126.229 120.400 -0.526 0.000 2.381 239 D HA 0.259 4.899 4.640 -0.000 0.000 0.235 239 D C -0.186 176.042 176.300 -0.120 0.000 1.068 239 D CA -0.175 53.616 54.000 -0.347 0.000 0.832 239 D CB 1.612 42.269 40.800 -0.238 0.000 1.101 239 D HN 0.514 nan 8.370 nan 0.000 0.515 240 Q N 1.722 121.488 119.800 -0.057 0.000 2.172 240 Q HA 0.065 4.405 4.340 -0.000 0.000 0.217 240 Q C 1.268 177.263 176.000 -0.008 0.000 0.832 240 Q CA 0.002 55.792 55.803 -0.022 0.000 1.010 240 Q CB 0.828 29.567 28.738 0.002 0.000 1.133 240 Q HN 0.575 nan 8.270 nan 0.000 0.489 241 T N -2.368 112.186 114.554 -0.000 0.000 2.995 241 T HA 0.048 4.398 4.350 -0.000 0.000 0.269 241 T C 1.061 175.764 174.700 0.006 0.000 1.091 241 T CA 0.440 62.548 62.100 0.012 0.000 1.128 241 T CB 0.276 69.162 68.868 0.030 0.000 0.891 241 T HN 0.037 nan 8.240 nan 0.000 0.492 242 R N 0.246 120.746 120.500 -0.001 0.000 2.730 242 R HA 0.495 4.835 4.340 -0.000 0.000 0.228 242 R C 1.723 178.012 176.300 -0.019 0.000 1.312 242 R CA -0.607 55.490 56.100 -0.005 0.000 1.093 242 R CB 0.525 30.826 30.300 0.000 0.000 1.583 242 R HN 0.116 nan 8.270 nan 0.000 0.535 243 E N 0.397 120.584 120.200 -0.021 0.000 2.047 243 E HA -0.107 4.243 4.350 -0.000 0.000 0.191 243 E C -0.357 176.210 176.600 -0.056 0.000 0.987 243 E CA 1.023 57.403 56.400 -0.034 0.000 0.799 243 E CB 0.194 29.878 29.700 -0.026 0.000 0.752 243 E HN 0.289 nan 8.360 nan 0.000 0.449 244 N N 0.275 118.948 118.700 -0.045 0.000 2.443 244 N HA 0.169 4.909 4.740 -0.000 0.000 0.295 244 N C -0.875 174.609 175.510 -0.044 0.000 1.076 244 N CA -0.368 52.649 53.050 -0.056 0.000 0.919 244 N CB 2.054 40.520 38.487 -0.034 0.000 1.176 244 N HN -0.164 nan 8.380 nan 0.000 0.487 245 V N 2.089 121.971 119.914 -0.054 0.000 2.572 245 V HA 0.152 4.272 4.120 -0.000 0.000 0.291 245 V C 0.463 176.550 176.094 -0.011 0.000 1.039 245 V CA -0.270 62.008 62.300 -0.036 0.000 1.055 245 V CB 0.050 31.854 31.823 -0.032 0.000 0.969 245 V HN 0.367 nan 8.190 nan 0.000 0.482 246 L N 5.579 126.791 121.223 -0.019 0.000 2.296 246 L HA 0.590 4.930 4.340 -0.000 0.000 0.286 246 L C -0.573 176.292 176.870 -0.008 0.000 1.023 246 L CA -0.517 54.328 54.840 0.010 0.000 0.812 246 L CB 1.685 43.762 42.059 0.031 0.000 1.223 246 L HN 0.363 nan 8.230 nan 0.000 0.421 247 V N 2.670 122.623 119.914 0.065 0.000 2.407 247 V HA 0.348 4.468 4.120 -0.000 0.000 0.291 247 V C -0.205 175.987 176.094 0.163 0.000 1.018 247 V CA -0.601 61.740 62.300 0.068 0.000 0.842 247 V CB 1.695 33.553 31.823 0.059 0.000 0.996 247 V HN 0.736 nan 8.190 nan 0.000 0.426 248 E N 2.892 123.183 120.200 0.151 0.000 2.191 248 E HA 0.639 4.989 4.350 -0.000 0.000 0.274 248 E C -0.215 176.462 176.600 0.128 0.000 0.948 248 E CA -0.457 56.044 56.400 0.168 0.000 0.802 248 E CB 1.757 31.567 29.700 0.182 0.000 1.137 248 E HN 0.839 nan 8.360 nan 0.000 0.397 249 T N 0.997 115.631 114.554 0.134 0.000 2.952 249 T HA 0.191 4.541 4.350 -0.000 0.000 0.286 249 T C 0.974 175.717 174.700 0.071 0.000 1.024 249 T CA -0.853 61.307 62.100 0.100 0.000 1.029 249 T CB 1.137 70.087 68.868 0.136 0.000 1.094 249 T HN 0.425 nan 8.240 nan 0.000 0.515 250 L N 1.719 122.984 121.223 0.070 0.000 2.079 250 L HA -0.027 4.313 4.340 -0.000 0.000 0.210 250 L C 1.786 178.758 176.870 0.170 0.000 1.081 250 L CA 2.157 57.047 54.840 0.085 0.000 0.752 250 L CB -1.239 40.872 42.059 0.088 0.000 0.896 250 L HN 0.945 nan 8.230 nan 0.000 0.433 251 N N -2.557 116.238 118.700 0.158 0.000 2.416 251 N HA -0.059 4.681 4.740 -0.000 0.000 0.215 251 N C 0.285 175.950 175.510 0.259 0.000 1.208 251 N CA 0.339 53.497 53.050 0.180 0.000 0.834 251 N CB -0.449 38.093 38.487 0.092 0.000 1.072 251 N HN 0.482 nan 8.380 nan 0.000 0.472 252 H N -2.590 116.494 119.070 0.023 0.000 3.642 252 H HA -0.159 4.397 4.556 -0.000 0.000 0.185 252 H C -0.743 174.589 175.328 0.006 0.000 0.992 252 H CA 0.700 56.752 56.048 0.008 0.000 1.216 252 H CB -1.253 28.504 29.762 -0.009 0.000 1.055 252 H HN 0.608 nan 8.280 nan 0.000 0.351 253 E N 0.945 121.219 120.200 0.123 0.000 2.366 253 E HA 0.335 4.685 4.350 -0.000 0.000 0.266 253 E C 0.367 176.971 176.600 0.006 0.000 1.051 253 E CA -0.219 56.199 56.400 0.031 0.000 0.884 253 E CB 0.844 30.587 29.700 0.072 0.000 1.006 253 E HN 0.043 nan 8.360 nan 0.000 0.417 254 M N 2.540 122.035 119.600 -0.175 0.000 2.311 254 M HA 0.346 4.826 4.480 -0.000 0.000 0.325 254 M C -1.450 174.655 176.300 -0.325 0.000 1.061 254 M CA -0.628 54.606 55.300 -0.109 0.000 0.957 254 M CB 1.006 33.568 32.600 -0.063 0.000 1.646 254 M HN 0.483 nan 8.290 nan 0.000 0.434 255 Y N 0.541 120.850 120.300 0.016 0.000 2.446 255 Y HA 0.485 5.035 4.550 -0.000 0.000 0.345 255 Y C 0.008 175.910 175.900 0.004 0.000 0.984 255 Y CA -0.693 57.413 58.100 0.010 0.000 1.058 255 Y CB 1.789 40.254 38.460 0.008 0.000 1.220 255 Y HN 0.545 nan 8.280 nan 0.000 0.455 256 E N 1.676 121.954 120.200 0.130 0.000 2.199 256 E HA 0.833 5.183 4.350 -0.000 0.000 0.265 256 E C -1.392 175.249 176.600 0.067 0.000 0.882 256 E CA -0.686 55.754 56.400 0.067 0.000 0.759 256 E CB 1.517 31.233 29.700 0.026 0.000 1.148 256 E HN 0.765 nan 8.360 nan 0.000 0.412 257 A N 3.187 126.030 122.820 0.037 0.000 2.593 257 A HA 0.390 4.710 4.320 -0.000 0.000 0.290 257 A C -0.070 177.490 177.584 -0.039 0.000 1.126 257 A CA -0.627 51.426 52.037 0.026 0.000 0.695 257 A CB 1.422 20.455 19.000 0.056 0.000 1.290 257 A HN 0.639 nan 8.150 nan 0.000 0.414 258 K N -0.910 119.451 120.400 -0.065 0.000 2.137 258 K HA 0.134 4.454 4.320 -0.000 0.000 0.202 258 K C -0.711 175.561 176.600 -0.548 0.000 1.052 258 K CA 1.382 57.497 56.287 -0.288 0.000 0.961 258 K CB -0.029 32.334 32.500 -0.228 0.000 0.741 258 K HN 0.595 nan 8.250 nan 0.000 0.452 259 Y N -1.086 119.233 120.300 0.032 0.000 2.615 259 Y HA 0.401 4.951 4.550 -0.000 0.000 0.341 259 Y C -0.645 175.278 175.900 0.038 0.000 1.089 259 Y CA -1.325 56.809 58.100 0.056 0.000 1.049 259 Y CB 1.829 40.313 38.460 0.040 0.000 1.296 259 Y HN -0.424 nan 8.280 nan 0.000 0.470 260 V N 3.160 123.211 119.914 0.228 0.000 2.656 260 V HA 0.474 4.594 4.120 -0.000 0.000 0.307 260 V C -0.617 175.524 176.094 0.078 0.000 1.051 260 V CA -0.855 61.507 62.300 0.103 0.000 0.893 260 V CB 2.036 33.886 31.823 0.045 0.000 0.999 260 V HN 0.547 nan 8.190 nan 0.000 0.426 261 I N 2.916 123.504 120.570 0.030 0.000 2.339 261 I HA 0.333 4.503 4.170 -0.000 0.000 0.290 261 I C 0.321 176.431 176.117 -0.012 0.000 0.994 261 I CA -0.135 61.165 61.300 -0.000 0.000 1.191 261 I CB 1.866 39.872 38.000 0.010 0.000 1.343 261 I HN 0.606 nan 8.210 nan 0.000 0.458 262 S N 5.495 121.161 115.700 -0.057 0.000 2.399 262 S HA 0.506 4.976 4.470 -0.000 0.000 0.301 262 S C 0.433 175.117 174.600 0.139 0.000 1.093 262 S CA -0.479 57.757 58.200 0.061 0.000 1.077 262 S CB 0.480 63.758 63.200 0.130 0.000 0.980 262 S HN 0.713 nan 8.310 nan 0.000 0.494 263 A N 6.004 128.893 122.820 0.116 0.000 2.965 263 A HA 0.470 4.790 4.320 -0.000 0.000 0.304 263 A C 0.315 177.978 177.584 0.132 0.000 1.214 263 A CA -0.699 51.412 52.037 0.123 0.000 0.977 263 A CB -0.565 18.484 19.000 0.082 0.000 1.127 263 A HN 0.913 nan 8.150 nan 0.000 0.572 264 I N -3.990 116.677 120.570 0.160 0.000 2.797 264 I HA 0.682 4.852 4.170 -0.000 0.000 0.307 264 I C -2.918 173.295 176.117 0.160 0.000 1.033 264 I CA -3.135 58.258 61.300 0.154 0.000 1.071 264 I CB 1.571 39.666 38.000 0.157 0.000 1.255 264 I HN -0.151 nan 8.210 nan 0.000 0.445 265 P HA 0.124 nan 4.420 nan 0.000 0.264 265 P C -2.167 175.185 177.300 0.086 0.000 1.183 265 P CA -0.618 62.549 63.100 0.111 0.000 0.763 265 P CB -0.032 31.720 31.700 0.086 0.000 0.807 266 P HA -0.247 nan 4.420 nan 0.000 0.217 266 P C 1.619 178.899 177.300 -0.033 0.000 1.158 266 P CA 1.946 65.047 63.100 0.002 0.000 0.887 266 P CB -0.305 31.364 31.700 -0.052 0.000 0.792 267 T N -1.393 113.115 114.554 -0.076 0.000 2.881 267 T HA -0.064 4.286 4.350 -0.000 0.000 0.270 267 T C 1.546 176.233 174.700 -0.022 0.000 1.068 267 T CA 0.693 62.738 62.100 -0.091 0.000 1.131 267 T CB -0.804 67.974 68.868 -0.149 0.000 0.871 267 T HN -0.040 nan 8.240 nan 0.000 0.479 268 L N 0.387 121.627 121.223 0.027 0.000 2.456 268 L HA 0.100 4.440 4.340 -0.000 0.000 0.224 268 L C 2.811 179.752 176.870 0.120 0.000 1.148 268 L CA 0.822 55.707 54.840 0.074 0.000 0.825 268 L CB -0.819 41.308 42.059 0.115 0.000 0.937 268 L HN 0.362 nan 8.230 nan 0.000 0.450 269 G N -0.181 108.701 108.800 0.137 0.000 2.479 269 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.220 269 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.220 269 G C 1.604 176.646 174.900 0.237 0.000 1.115 269 G CA 0.235 45.476 45.100 0.235 0.000 0.757 269 G HN 0.141 nan 8.290 nan 0.000 0.560 270 M N 0.440 120.104 119.600 0.107 0.000 2.279 270 M HA -0.000 4.480 4.480 -0.000 0.000 0.264 270 M C 2.171 178.487 176.300 0.027 0.000 1.062 270 M CA 1.004 56.335 55.300 0.052 0.000 1.099 270 M CB -0.550 32.042 32.600 -0.014 0.000 1.394 270 M HN 0.226 nan 8.290 nan 0.000 0.426 271 K N 0.017 120.454 120.400 0.062 0.000 2.504 271 K HA 0.105 4.425 4.320 -0.000 0.000 0.195 271 K C 0.422 177.076 176.600 0.089 0.000 1.036 271 K CA 0.484 56.817 56.287 0.076 0.000 0.984 271 K CB 0.082 32.655 32.500 0.122 0.000 0.788 271 K HN 0.333 nan 8.250 nan 0.000 0.488 272 I N 1.233 121.816 120.570 0.023 0.000 2.377 272 I HA 0.118 4.288 4.170 -0.000 0.000 0.293 272 I C 0.144 176.100 176.117 -0.269 0.000 0.987 272 I CA -0.708 60.506 61.300 -0.144 0.000 1.185 272 I CB 1.302 39.061 38.000 -0.402 0.000 1.341 272 I HN 0.034 nan 8.210 nan 0.000 0.455 273 H N 6.143 125.086 119.070 -0.211 0.000 2.562 273 H HA 0.338 4.894 4.556 -0.000 0.000 0.314 273 H C -1.093 174.110 175.328 -0.208 0.000 1.079 273 H CA -0.235 55.788 56.048 -0.041 0.000 1.349 273 H CB 1.094 30.937 29.762 0.135 0.000 1.432 273 H HN 0.326 nan 8.280 nan 0.000 0.479 274 F N 1.963 121.998 119.950 0.141 0.000 2.443 274 F HA 0.175 4.702 4.527 -0.000 0.000 0.335 274 F C 0.594 176.417 175.800 0.037 0.000 1.104 274 F CA -0.729 57.283 58.000 0.020 0.000 1.013 274 F CB 1.353 40.360 39.000 0.011 0.000 1.136 274 F HN 0.473 nan 8.300 nan 0.000 0.470 275 N N 4.267 123.031 118.700 0.106 0.000 2.480 275 N HA 0.410 5.150 4.740 -0.000 0.000 0.289 275 N C -3.055 172.488 175.510 0.055 0.000 1.073 275 N CA -2.333 50.777 53.050 0.099 0.000 0.885 275 N CB 2.168 40.735 38.487 0.132 0.000 1.421 275 N HN 0.068 nan 8.380 nan 0.000 0.503 276 P HA 0.324 nan 4.420 nan 0.000 0.274 276 P C -2.655 174.711 177.300 0.110 0.000 1.256 276 P CA -1.028 62.122 63.100 0.083 0.000 0.795 276 P CB -0.358 31.372 31.700 0.050 0.000 1.038 277 P HA 0.075 nan 4.420 nan 0.000 0.268 277 P C 0.065 177.374 177.300 0.016 0.000 1.208 277 P CA 0.273 63.428 63.100 0.092 0.000 0.777 277 P CB 0.162 31.899 31.700 0.062 0.000 0.875 278 L N 3.710 124.894 121.223 -0.065 0.000 2.499 278 L HA 0.106 4.446 4.340 -0.000 0.000 0.281 278 L C -1.626 175.186 176.870 -0.096 0.000 1.234 278 L CA -1.498 53.234 54.840 -0.179 0.000 0.839 278 L CB -0.717 41.143 42.059 -0.331 0.000 1.104 278 L HN 0.308 nan 8.230 nan 0.000 0.500 279 P HA -0.075 nan 4.420 nan 0.000 0.268 279 P C 0.660 177.926 177.300 -0.057 0.000 1.208 279 P CA -0.155 62.909 63.100 -0.060 0.000 0.777 279 P CB 0.439 32.103 31.700 -0.060 0.000 0.875 280 M N 1.727 121.306 119.600 -0.035 0.000 2.082 280 M HA -0.223 4.257 4.480 -0.000 0.000 0.258 280 M C 1.202 177.506 176.300 0.007 0.000 1.069 280 M CA 2.351 57.641 55.300 -0.016 0.000 1.102 280 M CB -0.424 32.170 32.600 -0.010 0.000 1.336 280 M HN 0.142 nan 8.290 nan 0.000 0.404 281 M N -0.070 119.532 119.600 0.002 0.000 2.117 281 M HA -0.141 4.339 4.480 -0.000 0.000 0.262 281 M C 2.354 178.700 176.300 0.076 0.000 1.065 281 M CA 1.867 57.209 55.300 0.070 0.000 1.114 281 M CB -1.438 31.145 32.600 -0.029 0.000 1.361 281 M HN 0.453 nan 8.290 nan 0.000 0.408 282 R N 0.327 120.796 120.500 -0.052 0.000 2.075 282 R HA -0.158 4.182 4.340 -0.000 0.000 0.232 282 R C 2.015 178.224 176.300 -0.151 0.000 1.126 282 R CA 1.740 57.757 56.100 -0.138 0.000 0.963 282 R CB -0.240 29.926 30.300 -0.223 0.000 0.858 282 R HN 0.329 nan 8.270 nan 0.000 0.435 283 N N 0.378 119.005 118.700 -0.121 0.000 2.060 283 N HA -0.236 4.504 4.740 -0.000 0.000 0.195 283 N C 1.589 177.029 175.510 -0.116 0.000 1.028 283 N CA 2.027 55.013 53.050 -0.107 0.000 0.861 283 N CB 0.014 38.461 38.487 -0.067 0.000 1.029 283 N HN 0.375 nan 8.380 nan 0.000 0.428 284 Q N -1.115 118.622 119.800 -0.105 0.000 2.163 284 Q HA -0.048 4.292 4.340 -0.000 0.000 0.198 284 Q C 1.980 177.720 176.000 -0.434 0.000 0.954 284 Q CA 0.591 56.276 55.803 -0.196 0.000 0.851 284 Q CB -0.119 28.574 28.738 -0.074 0.000 0.928 284 Q HN 0.498 nan 8.270 nan 0.000 0.459 285 M N 1.690 121.034 119.600 -0.427 0.000 2.082 285 M HA -0.173 4.307 4.480 -0.000 0.000 0.258 285 M C 2.044 178.107 176.300 -0.396 0.000 1.069 285 M CA 1.684 56.678 55.300 -0.511 0.000 1.102 285 M CB -0.499 31.980 32.600 -0.203 0.000 1.336 285 M HN 0.303 nan 8.290 nan 0.000 0.404 286 I N -1.581 118.821 120.570 -0.279 0.000 3.334 286 I HA -0.084 4.086 4.170 -0.000 0.000 0.282 286 I C 1.476 177.460 176.117 -0.221 0.000 1.313 286 I CA 1.415 62.580 61.300 -0.224 0.000 1.396 286 I CB -1.000 36.914 38.000 -0.143 0.000 1.054 286 I HN 0.323 nan 8.210 nan 0.000 0.495 287 T N -2.591 111.809 114.554 -0.256 0.000 3.069 287 T HA 0.286 4.636 4.350 -0.000 0.000 0.252 287 T C 1.512 176.041 174.700 -0.286 0.000 1.053 287 T CA -0.214 61.748 62.100 -0.230 0.000 0.964 287 T CB -0.025 68.731 68.868 -0.186 0.000 1.005 287 T HN 0.409 nan 8.240 nan 0.000 0.532 288 R N 0.902 121.172 120.500 -0.383 0.000 2.437 288 R HA 0.310 4.650 4.340 -0.000 0.000 0.257 288 R C -0.042 175.940 176.300 -0.530 0.000 0.927 288 R CA 0.032 55.876 56.100 -0.426 0.000 1.078 288 R CB 1.272 31.262 30.300 -0.517 0.000 1.161 288 R HN 0.432 nan 8.270 nan 0.000 0.529 289 V N -0.381 119.197 119.914 -0.560 0.000 2.313 289 V HA 0.465 4.585 4.120 -0.000 0.000 0.262 289 V C -2.635 173.092 176.094 -0.613 0.000 1.011 289 V CA -2.414 59.437 62.300 -0.748 0.000 0.858 289 V CB 0.600 31.943 31.823 -0.800 0.000 1.104 289 V HN -0.118 nan 8.190 nan 0.000 0.456 290 P HA 0.476 nan 4.420 nan 0.000 0.274 290 P C -0.621 176.338 177.300 -0.568 0.000 1.246 290 P CA -0.323 62.429 63.100 -0.580 0.000 0.795 290 P CB 1.772 33.103 31.700 -0.614 0.000 1.006 291 L N 0.339 121.410 121.223 -0.253 0.000 2.352 291 L HA 0.578 4.918 4.340 -0.000 0.000 0.269 291 L C 1.479 178.393 176.870 0.072 0.000 1.034 291 L CA -0.174 54.618 54.840 -0.080 0.000 0.806 291 L CB 0.583 42.629 42.059 -0.021 0.000 1.244 291 L HN 0.471 nan 8.230 nan 0.000 0.447 292 G N -0.002 108.873 108.800 0.126 0.000 2.611 292 G HA2 0.409 4.369 3.960 -0.000 0.000 0.273 292 G HA3 0.409 4.369 3.960 -0.000 0.000 0.273 292 G C -0.762 174.139 174.900 0.001 0.000 1.305 292 G CA -0.370 44.773 45.100 0.071 0.000 1.010 292 G HN 0.496 nan 8.290 nan 0.000 0.509 293 S N -1.396 114.277 115.700 -0.045 0.000 2.561 293 S HA 0.586 5.056 4.470 -0.000 0.000 0.303 293 S C -1.056 173.531 174.600 -0.021 0.000 1.110 293 S CA -0.491 57.709 58.200 -0.000 0.000 1.034 293 S CB 1.675 64.886 63.200 0.019 0.000 1.010 293 S HN 0.792 nan 8.310 nan 0.000 0.482 294 V N 4.930 124.883 119.914 0.065 0.000 2.924 294 V HA 0.548 4.668 4.120 -0.000 0.000 0.300 294 V C -1.932 174.327 176.094 0.274 0.000 1.227 294 V CA -0.715 61.659 62.300 0.124 0.000 0.954 294 V CB 1.732 33.565 31.823 0.017 0.000 1.055 294 V HN 0.872 nan 8.190 nan 0.000 0.429 295 I N 5.375 126.116 120.570 0.285 0.000 2.362 295 I HA 0.517 4.687 4.170 -0.000 0.000 0.289 295 I C -0.149 176.218 176.117 0.417 0.000 0.994 295 I CA -0.588 60.901 61.300 0.315 0.000 1.158 295 I CB 1.674 39.797 38.000 0.205 0.000 1.315 295 I HN 0.509 nan 8.210 nan 0.000 0.451 296 K N 5.962 126.647 120.400 0.475 0.000 2.248 296 K HA 0.545 4.865 4.320 -0.000 0.000 0.281 296 K C -1.397 175.330 176.600 0.211 0.000 1.054 296 K CA -0.313 56.226 56.287 0.421 0.000 0.903 296 K CB 0.771 33.589 32.500 0.531 0.000 1.077 296 K HN 0.707 nan 8.250 nan 0.000 0.474 297 C N 5.407 124.790 119.300 0.138 0.000 2.408 297 C HA 0.582 5.042 4.460 -0.000 0.000 0.321 297 C C -0.772 174.282 174.990 0.107 0.000 1.245 297 C CA -1.108 57.995 59.018 0.142 0.000 1.523 297 C CB -0.017 27.913 27.740 0.316 0.000 2.178 297 C HN 0.729 nan 8.230 nan 0.000 0.488 298 I N 2.928 123.532 120.570 0.058 0.000 2.439 298 I HA 0.423 4.593 4.170 -0.000 0.000 0.285 298 I C -0.289 175.856 176.117 0.046 0.000 1.021 298 I CA -0.145 61.135 61.300 -0.032 0.000 1.091 298 I CB 1.477 39.393 38.000 -0.140 0.000 1.242 298 I HN 0.360 nan 8.210 nan 0.000 0.439 299 V N 6.676 126.608 119.914 0.031 0.000 2.394 299 V HA 0.381 4.501 4.120 -0.000 0.000 0.282 299 V C -0.629 175.295 176.094 -0.284 0.000 1.031 299 V CA -0.676 61.648 62.300 0.040 0.000 0.881 299 V CB 0.884 32.771 31.823 0.106 0.000 0.982 299 V HN 0.409 nan 8.190 nan 0.000 0.451 300 Y N 4.074 124.322 120.300 -0.087 0.000 2.361 300 Y HA 0.661 5.211 4.550 -0.000 0.000 0.332 300 Y C -0.259 175.503 175.900 -0.230 0.000 1.101 300 Y CA -0.371 57.724 58.100 -0.009 0.000 1.137 300 Y CB 1.352 39.911 38.460 0.166 0.000 1.207 300 Y HN 0.529 nan 8.280 nan 0.000 0.463 301 Y N -0.036 120.523 120.300 0.431 0.000 2.605 301 Y HA 0.283 4.833 4.550 -0.000 0.000 0.343 301 Y C 1.115 177.170 175.900 0.259 0.000 1.036 301 Y CA -1.381 56.946 58.100 0.378 0.000 1.065 301 Y CB 1.935 40.720 38.460 0.542 0.000 1.288 301 Y HN 0.501 nan 8.280 nan 0.000 0.481 302 K N 0.451 121.076 120.400 0.375 0.000 2.057 302 K HA -0.077 4.243 4.320 -0.000 0.000 0.207 302 K C -0.523 176.153 176.600 0.127 0.000 1.049 302 K CA 1.694 58.094 56.287 0.188 0.000 0.931 302 K CB 0.201 32.783 32.500 0.138 0.000 0.714 302 K HN 0.743 nan 8.250 nan 0.000 0.440 303 E N -0.820 119.474 120.200 0.156 0.000 2.408 303 E HA 0.213 4.563 4.350 -0.000 0.000 0.275 303 E C -2.676 173.796 176.600 -0.213 0.000 0.935 303 E CA -2.300 54.096 56.400 -0.007 0.000 0.775 303 E CB 2.301 31.988 29.700 -0.021 0.000 1.277 303 E HN -0.041 nan 8.360 nan 0.000 0.455 304 P HA 0.038 nan 4.420 nan 0.000 0.230 304 P C 0.213 176.598 177.300 -1.525 0.000 1.791 304 P CA -0.024 62.131 63.100 -1.576 0.000 1.020 304 P CB -0.878 30.209 31.700 -1.023 0.000 1.977 305 F N -0.001 119.415 119.950 -0.890 0.000 2.250 305 F HA -0.116 4.411 4.527 -0.000 0.000 0.301 305 F C 1.767 177.414 175.800 -0.254 0.000 1.077 305 F CA -0.000 57.760 58.000 -0.400 0.000 1.348 305 F CB -1.788 37.103 39.000 -0.182 0.000 1.040 305 F HN 0.132 nan 8.300 nan 0.000 0.509 306 W N 1.308 122.319 121.300 -0.482 0.000 2.374 306 W HA 0.014 4.674 4.660 0.000 0.000 0.288 306 W C 2.055 178.532 176.519 -0.069 0.000 1.218 306 W CA 0.899 58.146 57.345 -0.164 0.000 1.245 306 W CB -1.132 28.165 29.460 -0.271 0.000 1.126 306 W HN -0.133 nan 8.180 nan 0.000 0.545 307 R N 1.117 121.421 120.500 -0.328 0.000 2.120 307 R HA -0.096 4.244 4.340 -0.000 0.000 0.234 307 R C 2.014 178.233 176.300 -0.136 0.000 1.123 307 R CA 1.800 57.795 56.100 -0.175 0.000 0.975 307 R CB -0.400 29.735 30.300 -0.275 0.000 0.866 307 R HN 0.254 nan 8.270 nan 0.000 0.446 308 K N 0.521 120.835 120.400 -0.144 0.000 2.211 308 K HA -0.089 4.231 4.320 -0.000 0.000 0.203 308 K C 1.372 177.899 176.600 -0.122 0.000 1.050 308 K CA 1.015 57.240 56.287 -0.104 0.000 0.945 308 K CB 0.129 32.588 32.500 -0.068 0.000 0.732 308 K HN 0.049 nan 8.250 nan 0.000 0.451 309 K N 0.772 121.071 120.400 -0.168 0.000 2.437 309 K HA -0.033 4.287 4.320 -0.000 0.000 0.198 309 K C -0.505 175.750 176.600 -0.576 0.000 1.024 309 K CA 0.143 56.213 56.287 -0.361 0.000 1.148 309 K CB 0.313 32.562 32.500 -0.418 0.000 0.860 309 K HN 0.028 nan 8.250 nan 0.000 0.515 310 D N 0.202 120.421 120.400 -0.302 0.000 2.800 310 D HA -0.222 4.418 4.640 -0.000 0.000 0.232 310 D C -1.390 174.837 176.300 -0.122 0.000 1.137 310 D CA 0.915 54.800 54.000 -0.193 0.000 0.718 310 D CB -1.400 39.307 40.800 -0.155 0.000 1.084 310 D HN 0.344 nan 8.370 nan 0.000 0.432 311 Y N -0.790 119.544 120.300 0.055 0.000 2.352 311 Y HA 0.310 4.860 4.550 -0.000 0.000 0.339 311 Y C 2.049 178.030 175.900 0.134 0.000 0.992 311 Y CA -0.958 57.178 58.100 0.059 0.000 1.100 311 Y CB 1.257 39.764 38.460 0.078 0.000 1.192 311 Y HN 0.253 nan 8.280 nan 0.000 0.458 312 C N -0.780 118.643 119.300 0.204 0.000 2.468 312 C HA 0.405 4.865 4.460 -0.000 0.000 0.277 312 C C 1.746 176.817 174.990 0.135 0.000 1.400 312 C CA 0.642 59.759 59.018 0.164 0.000 1.770 312 C CB -0.976 26.786 27.740 0.037 0.000 1.905 312 C HN 1.225 nan 8.230 nan 0.000 0.519 313 G N -0.390 108.332 108.800 -0.129 0.000 2.231 313 G HA2 -0.133 3.827 3.960 -0.000 0.000 0.206 313 G HA3 -0.133 3.827 3.960 -0.000 0.000 0.206 313 G C 0.053 174.663 174.900 -0.484 0.000 0.996 313 G CA 0.180 44.894 45.100 -0.643 0.000 0.645 313 G HN 0.563 nan 8.290 nan 0.000 0.498 314 T N 2.487 116.856 114.554 -0.309 0.000 2.779 314 T HA 0.609 4.959 4.350 -0.000 0.000 0.296 314 T C 0.321 174.793 174.700 -0.379 0.000 0.938 314 T CA 0.599 62.503 62.100 -0.328 0.000 1.119 314 T CB 0.689 69.406 68.868 -0.252 0.000 0.891 314 T HN 0.296 nan 8.240 nan 0.000 0.526 315 M N 4.288 123.636 119.600 -0.420 0.000 2.259 315 M HA 0.486 4.966 4.480 -0.000 0.000 0.304 315 M C -0.784 175.327 176.300 -0.315 0.000 1.019 315 M CA -0.569 54.554 55.300 -0.295 0.000 0.922 315 M CB 2.098 34.553 32.600 -0.241 0.000 1.600 315 M HN 0.397 nan 8.290 nan 0.000 0.433 316 I N 4.826 125.328 120.570 -0.114 0.000 2.328 316 I HA 0.426 4.596 4.170 -0.000 0.000 0.287 316 I C -0.795 175.488 176.117 0.277 0.000 1.012 316 I CA -0.370 60.950 61.300 0.035 0.000 1.195 316 I CB 0.802 38.863 38.000 0.102 0.000 1.350 316 I HN 0.616 nan 8.210 nan 0.000 0.464 317 I N 5.489 126.205 120.570 0.242 0.000 2.382 317 I HA 0.273 4.443 4.170 -0.000 0.000 0.285 317 I C -0.439 175.840 176.117 0.270 0.000 1.007 317 I CA -0.698 60.762 61.300 0.268 0.000 1.142 317 I CB 1.004 39.106 38.000 0.171 0.000 1.289 317 I HN 0.413 nan 8.210 nan 0.000 0.453 318 D N 5.033 125.601 120.400 0.279 0.000 2.362 318 D HA 0.552 5.192 4.640 -0.000 0.000 0.242 318 D C 0.548 176.956 176.300 0.180 0.000 1.132 318 D CA 0.653 54.786 54.000 0.222 0.000 0.907 318 D CB 1.533 42.438 40.800 0.174 0.000 1.195 318 D HN 0.849 nan 8.370 nan 0.000 0.429 319 G N 1.002 109.892 108.800 0.149 0.000 2.587 319 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.686 319 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.686 319 G C 0.481 175.455 174.900 0.124 0.000 1.236 319 G CA -0.093 45.081 45.100 0.123 0.000 0.820 319 G HN 0.396 nan 8.290 nan 0.000 0.645 320 E N 0.120 120.387 120.200 0.112 0.000 2.107 320 E HA 0.003 4.353 4.350 -0.000 0.000 0.191 320 E C 2.196 178.859 176.600 0.106 0.000 0.982 320 E CA 2.336 58.813 56.400 0.128 0.000 0.809 320 E CB -0.062 29.709 29.700 0.118 0.000 0.756 320 E HN 0.631 nan 8.360 nan 0.000 0.459 321 E N 0.735 120.988 120.200 0.087 0.000 2.110 321 E HA 0.014 4.364 4.350 -0.000 0.000 0.193 321 E C 0.534 177.167 176.600 0.055 0.000 0.988 321 E CA 1.007 57.447 56.400 0.067 0.000 0.804 321 E CB -0.498 29.240 29.700 0.063 0.000 0.745 321 E HN 0.292 nan 8.360 nan 0.000 0.458 322 A N 2.587 125.449 122.820 0.071 0.000 2.484 322 A HA 0.125 4.445 4.320 -0.000 0.000 0.268 322 A C -1.395 176.218 177.584 0.048 0.000 1.114 322 A CA -1.061 51.012 52.037 0.059 0.000 0.780 322 A CB 0.057 19.113 19.000 0.094 0.000 1.061 322 A HN 0.009 nan 8.150 nan 0.000 0.505 323 P HA -0.051 nan 4.420 nan 0.000 0.220 323 P C 0.221 177.557 177.300 0.061 0.000 1.148 323 P CA 1.044 64.154 63.100 0.016 0.000 0.803 323 P CB 0.104 31.795 31.700 -0.015 0.000 0.782 324 V N -0.663 119.307 119.914 0.094 0.000 2.656 324 V HA 0.524 4.644 4.120 -0.000 0.000 0.307 324 V C 0.868 177.075 176.094 0.188 0.000 1.051 324 V CA -0.152 62.248 62.300 0.167 0.000 0.893 324 V CB 1.759 33.707 31.823 0.209 0.000 0.999 324 V HN -0.064 nan 8.190 nan 0.000 0.426 325 A N 4.089 127.048 122.820 0.233 0.000 2.167 325 A HA 0.376 4.696 4.320 -0.000 0.000 0.208 325 A C 0.109 177.877 177.584 0.306 0.000 1.198 325 A CA 0.454 52.642 52.037 0.252 0.000 0.863 325 A CB 0.273 19.425 19.000 0.252 0.000 0.904 325 A HN 0.737 nan 8.150 nan 0.000 0.484 326 Y N 0.440 120.853 120.300 0.187 0.000 2.396 326 Y HA 0.460 5.010 4.550 -0.000 0.000 0.332 326 Y C -0.193 175.752 175.900 0.076 0.000 1.034 326 Y CA -0.386 57.803 58.100 0.149 0.000 1.057 326 Y CB 1.728 40.301 38.460 0.189 0.000 1.220 326 Y HN 0.140 nan 8.280 nan 0.000 0.440 327 T N 3.609 118.179 114.554 0.026 0.000 2.942 327 T HA 0.838 5.188 4.350 -0.000 0.000 0.289 327 T C -1.210 173.454 174.700 -0.060 0.000 1.044 327 T CA -0.819 61.242 62.100 -0.064 0.000 1.023 327 T CB 1.939 70.619 68.868 -0.314 0.000 1.123 327 T HN 0.558 nan 8.240 nan 0.000 0.512 328 L N 0.869 122.029 121.223 -0.104 0.000 2.409 328 L HA 0.461 4.801 4.340 -0.000 0.000 0.262 328 L C -0.564 176.212 176.870 -0.157 0.000 0.992 328 L CA -1.269 53.517 54.840 -0.089 0.000 0.817 328 L CB 2.262 44.315 42.059 -0.010 0.000 1.350 328 L HN 0.737 nan 8.230 nan 0.000 0.411 329 D N 1.073 121.394 120.400 -0.131 0.000 2.487 329 D HA -0.057 4.583 4.640 -0.000 0.000 0.243 329 D C -0.272 176.077 176.300 0.082 0.000 1.154 329 D CA 0.645 54.620 54.000 -0.041 0.000 0.876 329 D CB 1.169 42.053 40.800 0.140 0.000 1.161 329 D HN 0.510 nan 8.370 nan 0.000 0.478 330 D N 1.880 122.325 120.400 0.075 0.000 2.462 330 D HA 0.067 4.707 4.640 -0.000 0.000 0.221 330 D C -0.337 176.054 176.300 0.152 0.000 1.173 330 D CA -0.161 53.902 54.000 0.106 0.000 0.831 330 D CB 0.392 41.191 40.800 -0.001 0.000 1.001 330 D HN 0.219 nan 8.370 nan 0.000 0.499 331 T N 1.562 116.247 114.554 0.219 0.000 2.946 331 T HA 0.018 4.368 4.350 -0.000 0.000 0.311 331 T C 0.547 175.326 174.700 0.132 0.000 1.063 331 T CA -0.033 62.189 62.100 0.205 0.000 1.139 331 T CB 0.800 69.796 68.868 0.213 0.000 0.994 331 T HN -0.023 nan 8.240 nan 0.000 0.547 332 K N 4.021 124.457 120.400 0.060 0.000 2.380 332 K HA 0.064 4.384 4.320 -0.000 0.000 0.267 332 K C -1.430 175.059 176.600 -0.184 0.000 0.990 332 K CA -1.597 54.622 56.287 -0.113 0.000 0.946 332 K CB 0.139 32.601 32.500 -0.063 0.000 0.937 332 K HN 0.350 nan 8.250 nan 0.000 0.491 333 P HA -0.142 nan 4.420 nan 0.000 0.221 333 P C 0.343 177.574 177.300 -0.114 0.000 1.145 333 P CA 1.379 64.281 63.100 -0.330 0.000 0.795 333 P CB 0.288 31.691 31.700 -0.495 0.000 0.775 334 E N -0.998 119.153 120.200 -0.082 0.000 2.418 334 E HA 0.139 4.489 4.350 -0.000 0.000 0.197 334 E C 1.566 178.159 176.600 -0.011 0.000 1.026 334 E CA 0.943 57.330 56.400 -0.022 0.000 0.862 334 E CB -0.790 28.918 29.700 0.012 0.000 0.799 334 E HN 0.300 nan 8.360 nan 0.000 0.518 335 G N 0.760 109.555 108.800 -0.009 0.000 2.175 335 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.244 335 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.244 335 G C 0.083 174.979 174.900 -0.007 0.000 0.982 335 G CA 0.282 45.375 45.100 -0.012 0.000 0.641 335 G HN 0.363 nan 8.290 nan 0.000 0.527 336 N N -0.761 117.957 118.700 0.029 0.000 2.563 336 N HA 0.537 5.277 4.740 -0.000 0.000 0.288 336 N C 0.496 176.102 175.510 0.160 0.000 1.246 336 N CA -0.966 52.085 53.050 0.003 0.000 0.946 336 N CB 0.035 38.456 38.487 -0.110 0.000 1.213 336 N HN 0.590 nan 8.380 nan 0.000 0.578 337 Y N -2.430 117.903 120.300 0.055 0.000 3.037 337 Y HA -0.170 4.380 4.550 -0.000 0.000 0.204 337 Y C 0.639 176.680 175.900 0.235 0.000 1.275 337 Y CA 0.321 58.506 58.100 0.142 0.000 1.066 337 Y CB -2.347 36.159 38.460 0.078 0.000 1.305 337 Y HN 0.742 nan 8.280 nan 0.000 0.499 338 A N 0.336 123.325 122.820 0.281 0.000 2.567 338 A HA 0.547 4.867 4.320 -0.000 0.000 0.240 338 A C 0.743 178.587 177.584 0.434 0.000 1.053 338 A CA 0.626 52.844 52.037 0.302 0.000 0.755 338 A CB 0.083 19.180 19.000 0.161 0.000 0.978 338 A HN 1.503 nan 8.150 nan 0.000 0.507 339 A N 2.467 125.546 122.820 0.433 0.000 2.604 339 A HA 0.650 4.970 4.320 -0.000 0.000 0.295 339 A C -1.007 176.581 177.584 0.008 0.000 1.067 339 A CA -0.525 51.575 52.037 0.105 0.000 0.683 339 A CB 1.014 19.759 19.000 -0.426 0.000 1.281 339 A HN 0.729 nan 8.150 nan 0.000 0.407 340 I N 2.340 122.811 120.570 -0.165 0.000 2.436 340 I HA 0.387 4.557 4.170 -0.000 0.000 0.289 340 I C -0.354 175.638 176.117 -0.209 0.000 1.010 340 I CA -0.368 60.718 61.300 -0.357 0.000 1.098 340 I CB 1.707 39.327 38.000 -0.634 0.000 1.266 340 I HN 0.737 nan 8.210 nan 0.000 0.434 341 M N 5.324 124.810 119.600 -0.191 0.000 2.264 341 M HA 0.655 5.135 4.480 -0.000 0.000 0.352 341 M C -0.366 175.845 176.300 -0.148 0.000 1.173 341 M CA -0.171 55.046 55.300 -0.138 0.000 1.075 341 M CB 1.388 33.923 32.600 -0.108 0.000 1.621 341 M HN 0.729 nan 8.290 nan 0.000 0.457 342 G N 4.063 112.803 108.800 -0.100 0.000 2.659 342 G HA2 0.685 4.645 3.960 -0.000 0.000 0.296 342 G HA3 0.685 4.645 3.960 -0.000 0.000 0.296 342 G C -2.035 172.803 174.900 -0.102 0.000 1.369 342 G CA -0.549 44.523 45.100 -0.046 0.000 0.937 342 G HN 0.634 nan 8.290 nan 0.000 0.485 343 F N 0.695 120.782 119.950 0.228 0.000 2.427 343 F HA 0.477 5.004 4.527 0.000 0.000 0.346 343 F C 0.584 176.486 175.800 0.170 0.000 1.120 343 F CA -0.713 57.418 58.000 0.218 0.000 1.033 343 F CB 2.031 41.179 39.000 0.248 0.000 1.126 343 F HN 0.062 nan 8.300 nan 0.000 0.462 344 I N 5.493 126.265 120.570 0.336 0.000 2.312 344 I HA 0.265 4.435 4.170 -0.000 0.000 0.291 344 I C -0.625 175.585 176.117 0.154 0.000 1.031 344 I CA -0.223 61.194 61.300 0.195 0.000 1.293 344 I CB 0.630 38.715 38.000 0.142 0.000 1.403 344 I HN 0.405 nan 8.210 nan 0.000 0.484 345 L N 6.228 127.500 121.223 0.082 0.000 2.342 345 L HA 0.755 5.095 4.340 -0.000 0.000 0.271 345 L C 0.878 177.717 176.870 -0.051 0.000 1.008 345 L CA -0.310 54.540 54.840 0.016 0.000 0.818 345 L CB 1.617 43.693 42.059 0.029 0.000 1.296 345 L HN 0.874 nan 8.230 nan 0.000 0.427 346 A N 1.778 124.560 122.820 -0.063 0.000 5.308 346 A HA -0.365 3.955 4.320 -0.000 0.000 0.321 346 A C 1.694 179.272 177.584 -0.009 0.000 1.849 346 A CA 1.629 53.638 52.037 -0.048 0.000 0.713 346 A CB -1.661 17.311 19.000 -0.047 0.000 1.360 346 A HN 1.111 nan 8.150 nan 0.000 0.384 347 H N 0.931 119.995 119.070 -0.009 0.000 2.421 347 H HA -0.031 4.525 4.556 -0.000 0.000 0.298 347 H C 1.713 177.061 175.328 0.033 0.000 1.087 347 H CA 1.851 57.910 56.048 0.019 0.000 1.330 347 H CB -0.373 29.409 29.762 0.033 0.000 1.388 347 H HN 0.733 nan 8.280 nan 0.000 0.526 348 K N 0.731 120.768 120.400 -0.606 0.000 2.148 348 K HA 0.035 4.355 4.320 -0.000 0.000 0.204 348 K C 2.596 179.135 176.600 -0.103 0.000 1.050 348 K CA 0.934 57.008 56.287 -0.355 0.000 0.942 348 K CB 0.004 32.309 32.500 -0.325 0.000 0.724 348 K HN 0.333 nan 8.250 nan 0.000 0.446 349 A N 1.521 124.310 122.820 -0.052 0.000 1.902 349 A HA -0.183 4.137 4.320 -0.000 0.000 0.217 349 A C 2.099 179.699 177.584 0.027 0.000 1.181 349 A CA 1.435 53.484 52.037 0.020 0.000 0.623 349 A CB -0.337 18.689 19.000 0.044 0.000 0.818 349 A HN 0.121 nan 8.150 nan 0.000 0.443 350 R N -0.258 120.258 120.500 0.026 0.000 2.073 350 R HA -0.095 4.245 4.340 -0.000 0.000 0.234 350 R C 2.347 178.672 176.300 0.041 0.000 1.134 350 R CA 1.900 58.026 56.100 0.043 0.000 0.952 350 R CB -0.301 30.037 30.300 0.063 0.000 0.850 350 R HN 0.645 nan 8.270 nan 0.000 0.433 351 K N 0.429 120.851 120.400 0.038 0.000 2.025 351 K HA -0.086 4.234 4.320 -0.000 0.000 0.207 351 K C 1.614 178.230 176.600 0.028 0.000 1.049 351 K CA 1.322 57.634 56.287 0.041 0.000 0.933 351 K CB -0.011 32.522 32.500 0.054 0.000 0.714 351 K HN 0.156 nan 8.250 nan 0.000 0.438 352 L N 0.380 121.614 121.223 0.018 0.000 2.492 352 L HA 0.086 4.426 4.340 -0.000 0.000 0.223 352 L C 2.276 179.167 176.870 0.033 0.000 1.132 352 L CA 0.284 55.137 54.840 0.023 0.000 0.850 352 L CB -0.138 41.932 42.059 0.019 0.000 0.966 352 L HN 0.224 nan 8.230 nan 0.000 0.454 353 A N 0.499 123.341 122.820 0.036 0.000 2.067 353 A HA -0.152 4.168 4.320 -0.000 0.000 0.219 353 A C 2.328 179.930 177.584 0.030 0.000 1.158 353 A CA 1.034 53.094 52.037 0.038 0.000 0.661 353 A CB -0.350 18.672 19.000 0.037 0.000 0.801 353 A HN 0.349 nan 8.150 nan 0.000 0.452 354 R N -0.689 119.827 120.500 0.027 0.000 2.189 354 R HA 0.086 4.426 4.340 -0.000 0.000 0.223 354 R C 0.142 176.454 176.300 0.020 0.000 1.092 354 R CA 0.235 56.348 56.100 0.022 0.000 0.989 354 R CB -0.406 29.907 30.300 0.021 0.000 0.876 354 R HN 0.442 nan 8.270 nan 0.000 0.457 355 L N 0.483 121.719 121.223 0.023 0.000 2.468 355 L HA 0.150 4.490 4.340 -0.000 0.000 0.254 355 L C 1.029 177.914 176.870 0.026 0.000 1.171 355 L CA -0.623 54.229 54.840 0.020 0.000 0.809 355 L CB 0.647 42.715 42.059 0.016 0.000 1.155 355 L HN 0.086 nan 8.230 nan 0.000 0.473 356 T N -2.883 111.685 114.554 0.022 0.000 2.828 356 T HA 0.097 4.447 4.350 -0.000 0.000 0.290 356 T C 0.918 175.648 174.700 0.049 0.000 1.019 356 T CA -0.609 61.510 62.100 0.031 0.000 1.031 356 T CB 1.186 70.068 68.868 0.022 0.000 1.001 356 T HN 0.676 nan 8.240 nan 0.000 0.531 357 K N 0.434 120.880 120.400 0.076 0.000 2.074 357 K HA -0.230 4.090 4.320 -0.000 0.000 0.209 357 K C 1.916 178.578 176.600 0.104 0.000 1.048 357 K CA 2.063 58.440 56.287 0.151 0.000 0.926 357 K CB -0.224 32.369 32.500 0.155 0.000 0.713 357 K HN 0.710 nan 8.250 nan 0.000 0.444 358 E N 0.679 120.904 120.200 0.042 0.000 2.072 358 E HA -0.149 4.200 4.350 -0.000 0.000 0.191 358 E C 1.836 178.400 176.600 -0.060 0.000 0.985 358 E CA 1.432 57.822 56.400 -0.017 0.000 0.801 358 E CB 0.018 29.718 29.700 -0.001 0.000 0.750 358 E HN 0.407 nan 8.360 nan 0.000 0.452 359 E N 0.162 120.343 120.200 -0.032 0.000 2.106 359 E HA -0.120 4.230 4.350 -0.000 0.000 0.192 359 E C 2.134 178.692 176.600 -0.070 0.000 0.984 359 E CA 0.666 57.041 56.400 -0.041 0.000 0.806 359 E CB -0.015 29.675 29.700 -0.016 0.000 0.750 359 E HN 0.121 nan 8.360 nan 0.000 0.458 360 R N 0.304 120.768 120.500 -0.058 0.000 2.075 360 R HA -0.125 4.215 4.340 -0.000 0.000 0.232 360 R C 2.480 178.633 176.300 -0.246 0.000 1.126 360 R CA 0.796 56.849 56.100 -0.077 0.000 0.963 360 R CB -0.341 29.984 30.300 0.042 0.000 0.858 360 R HN 0.123 nan 8.270 nan 0.000 0.435 361 L N 1.774 122.733 121.223 -0.439 0.000 2.012 361 L HA -0.218 4.122 4.340 -0.000 0.000 0.210 361 L C 2.190 178.841 176.870 -0.365 0.000 1.073 361 L CA 1.916 56.332 54.840 -0.707 0.000 0.748 361 L CB -0.460 41.141 42.059 -0.763 0.000 0.891 361 L HN -0.004 nan 8.230 nan 0.000 0.431 362 K N -0.487 119.778 120.400 -0.225 0.000 2.032 362 K HA -0.234 4.086 4.320 -0.000 0.000 0.209 362 K C 2.181 178.693 176.600 -0.147 0.000 1.048 362 K CA 1.877 58.078 56.287 -0.142 0.000 0.927 362 K CB -0.096 32.350 32.500 -0.090 0.000 0.712 362 K HN 0.356 nan 8.250 nan 0.000 0.441 363 K N 0.142 120.451 120.400 -0.151 0.000 2.057 363 K HA -0.152 4.168 4.320 -0.000 0.000 0.207 363 K C 2.080 178.540 176.600 -0.234 0.000 1.049 363 K CA 1.078 57.279 56.287 -0.145 0.000 0.931 363 K CB -0.101 32.337 32.500 -0.105 0.000 0.714 363 K HN 0.053 nan 8.250 nan 0.000 0.440 364 L N 0.872 121.898 121.223 -0.328 0.000 2.027 364 L HA -0.192 4.148 4.340 -0.000 0.000 0.206 364 L C 2.436 178.853 176.870 -0.755 0.000 1.074 364 L CA 1.519 55.990 54.840 -0.614 0.000 0.745 364 L CB -0.815 40.929 42.059 -0.525 0.000 0.898 364 L HN 0.233 nan 8.230 nan 0.000 0.433 365 C N -0.735 118.358 119.300 -0.344 0.000 2.429 365 C HA -0.142 4.318 4.460 -0.000 0.000 0.277 365 C C 2.636 177.599 174.990 -0.045 0.000 1.262 365 C CA 0.482 59.455 59.018 -0.075 0.000 1.733 365 C CB -0.707 27.046 27.740 0.022 0.000 2.010 365 C HN 0.546 nan 8.230 nan 0.000 0.483 366 E N 0.368 120.512 120.200 -0.093 0.000 2.110 366 E HA -0.216 4.134 4.350 -0.000 0.000 0.193 366 E C 1.996 178.559 176.600 -0.061 0.000 0.988 366 E CA 0.975 57.343 56.400 -0.053 0.000 0.804 366 E CB -0.274 29.394 29.700 -0.052 0.000 0.745 366 E HN 0.533 nan 8.360 nan 0.000 0.458 367 L N 0.336 121.476 121.223 -0.139 0.000 2.017 367 L HA -0.207 4.133 4.340 -0.000 0.000 0.208 367 L C 2.033 178.901 176.870 -0.003 0.000 1.073 367 L CA 1.733 56.501 54.840 -0.120 0.000 0.745 367 L CB -0.551 41.398 42.059 -0.184 0.000 0.894 367 L HN 0.193 nan 8.230 nan 0.000 0.432 368 Y N -0.766 119.517 120.300 -0.028 0.000 2.224 368 Y HA -0.215 4.335 4.550 -0.000 0.000 0.289 368 Y C 2.536 178.441 175.900 0.009 0.000 1.146 368 Y CA 0.268 58.356 58.100 -0.020 0.000 1.182 368 Y CB -0.479 38.012 38.460 0.052 0.000 0.983 368 Y HN 0.391 nan 8.280 nan 0.000 0.524 369 A N 0.521 123.446 122.820 0.175 0.000 1.902 369 A HA -0.207 4.113 4.320 -0.000 0.000 0.217 369 A C 2.121 179.745 177.584 0.066 0.000 1.181 369 A CA 1.668 53.771 52.037 0.109 0.000 0.623 369 A CB -0.495 18.542 19.000 0.063 0.000 0.818 369 A HN 0.348 nan 8.150 nan 0.000 0.443 370 K N -0.584 119.831 120.400 0.025 0.000 2.002 370 K HA -0.091 4.229 4.320 -0.000 0.000 0.209 370 K C 1.920 178.497 176.600 -0.038 0.000 1.048 370 K CA 1.671 57.955 56.287 -0.004 0.000 0.930 370 K CB -0.309 32.166 32.500 -0.042 0.000 0.714 370 K HN 0.302 nan 8.250 nan 0.000 0.438 371 V N 1.449 121.280 119.914 -0.139 0.000 2.379 371 V HA -0.180 3.940 4.120 -0.000 0.000 0.245 371 V C 2.041 178.067 176.094 -0.113 0.000 1.044 371 V CA 1.424 63.592 62.300 -0.220 0.000 1.036 371 V CB -0.298 31.347 31.823 -0.297 0.000 0.664 371 V HN 0.275 nan 8.190 nan 0.000 0.453 372 L N 0.520 121.718 121.223 -0.042 0.000 2.492 372 L HA 0.263 4.603 4.340 -0.000 0.000 0.223 372 L C 1.688 178.675 176.870 0.195 0.000 1.132 372 L CA 0.797 55.653 54.840 0.028 0.000 0.850 372 L CB -0.727 41.446 42.059 0.190 0.000 0.966 372 L HN 0.541 nan 8.230 nan 0.000 0.454 373 G N 0.687 109.564 108.800 0.128 0.000 2.295 373 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.287 373 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.287 373 G C -0.056 174.924 174.900 0.134 0.000 1.055 373 G CA 0.462 45.640 45.100 0.130 0.000 0.922 373 G HN 0.350 nan 8.290 nan 0.000 0.503 374 S N -0.842 114.930 115.700 0.121 0.000 2.672 374 S HA 0.492 4.962 4.470 -0.000 0.000 0.291 374 S C 1.173 175.739 174.600 -0.057 0.000 1.145 374 S CA -0.776 57.452 58.200 0.046 0.000 1.013 374 S CB 1.809 65.078 63.200 0.116 0.000 1.017 374 S HN 0.232 nan 8.310 nan 0.000 0.487 375 L N 1.838 123.007 121.223 -0.090 0.000 2.265 375 L HA -0.095 4.245 4.340 -0.000 0.000 0.215 375 L C 2.125 178.883 176.870 -0.187 0.000 1.117 375 L CA 1.193 55.975 54.840 -0.096 0.000 0.782 375 L CB -0.407 41.612 42.059 -0.068 0.000 0.914 375 L HN 0.696 nan 8.230 nan 0.000 0.441 376 E N 0.474 120.429 120.200 -0.408 0.000 2.265 376 E HA -0.180 4.170 4.350 -0.000 0.000 0.196 376 E C 2.251 178.463 176.600 -0.646 0.000 0.996 376 E CA 0.927 56.925 56.400 -0.669 0.000 0.832 376 E CB -0.119 28.843 29.700 -1.230 0.000 0.756 376 E HN 0.512 nan 8.360 nan 0.000 0.491 377 A N 0.717 123.259 122.820 -0.463 0.000 2.121 377 A HA -0.082 4.238 4.320 -0.000 0.000 0.218 377 A C 1.901 179.657 177.584 0.288 0.000 1.154 377 A CA 0.715 52.768 52.037 0.027 0.000 0.679 377 A CB -0.297 18.860 19.000 0.262 0.000 0.795 377 A HN 0.163 nan 8.150 nan 0.000 0.458 378 L N -1.223 120.071 121.223 0.119 0.000 2.591 378 L HA 0.124 4.464 4.340 -0.000 0.000 0.228 378 L C 0.452 177.407 176.870 0.141 0.000 1.133 378 L CA 0.273 55.184 54.840 0.117 0.000 0.880 378 L CB 0.027 42.110 42.059 0.041 0.000 1.033 378 L HN 0.201 nan 8.230 nan 0.000 0.450 379 E N 1.018 121.348 120.200 0.216 0.000 3.406 379 E HA 0.197 4.547 4.350 -0.000 0.000 0.210 379 E C -2.276 174.513 176.600 0.315 0.000 1.167 379 E CA -1.871 54.650 56.400 0.200 0.000 1.132 379 E CB 0.712 30.483 29.700 0.119 0.000 1.309 379 E HN 0.015 nan 8.360 nan 0.000 0.424 380 P HA -0.036 nan 4.420 nan 0.000 0.271 380 P C 0.792 178.143 177.300 0.085 0.000 1.218 380 P CA -0.070 63.027 63.100 -0.005 0.000 0.780 380 P CB 1.642 33.286 31.700 -0.093 0.000 0.901 381 V N -1.351 118.631 119.914 0.114 0.000 3.307 381 V HA 0.249 4.369 4.120 -0.000 0.000 0.253 381 V C 0.866 177.098 176.094 0.230 0.000 1.149 381 V CA 0.843 63.239 62.300 0.160 0.000 1.112 381 V CB -0.900 31.019 31.823 0.159 0.000 0.777 381 V HN 0.672 nan 8.190 nan 0.000 0.464 382 H N -1.345 117.801 119.070 0.127 0.000 3.003 382 H HA 0.490 5.046 4.556 -0.000 0.000 0.327 382 H C -2.460 173.085 175.328 0.361 0.000 1.353 382 H CA -0.454 55.687 56.048 0.155 0.000 1.142 382 H CB 2.656 32.403 29.762 -0.025 0.000 1.864 382 H HN 0.155 nan 8.280 nan 0.000 0.529 383 Y N 1.819 121.887 120.300 -0.388 0.000 2.441 383 Y HA 0.321 4.871 4.550 -0.000 0.000 0.334 383 Y C -1.581 174.200 175.900 -0.197 0.000 1.061 383 Y CA -0.632 57.398 58.100 -0.117 0.000 1.032 383 Y CB 1.566 39.967 38.460 -0.100 0.000 1.266 383 Y HN 0.539 nan 8.280 nan 0.000 0.441 384 E N 4.599 124.550 120.200 -0.415 0.000 2.293 384 E HA 0.414 4.764 4.350 -0.000 0.000 0.270 384 E C -1.451 174.791 176.600 -0.597 0.000 0.879 384 E CA -0.762 55.396 56.400 -0.403 0.000 0.756 384 E CB 2.694 32.404 29.700 0.017 0.000 1.208 384 E HN 0.781 nan 8.360 nan 0.000 0.428 385 E N 0.536 120.474 120.200 -0.436 0.000 2.412 385 E HA 0.660 5.010 4.350 -0.000 0.000 0.279 385 E C -1.187 175.366 176.600 -0.077 0.000 0.984 385 E CA -1.072 55.183 56.400 -0.242 0.000 0.788 385 E CB 2.604 32.139 29.700 -0.274 0.000 1.277 385 E HN 0.160 nan 8.360 nan 0.000 0.455 386 K N 1.474 121.884 120.400 0.017 0.000 2.565 386 K HA 0.270 4.590 4.320 -0.000 0.000 0.249 386 K C -1.509 175.068 176.600 -0.038 0.000 0.958 386 K CA -0.727 55.513 56.287 -0.079 0.000 0.806 386 K CB 1.427 33.846 32.500 -0.135 0.000 1.194 386 K HN 0.520 nan 8.250 nan 0.000 0.434 387 N N 4.139 122.777 118.700 -0.103 0.000 2.437 387 N HA 0.089 4.829 4.740 -0.000 0.000 0.243 387 N C -0.281 175.184 175.510 -0.076 0.000 1.041 387 N CA -0.294 52.756 53.050 -0.001 0.000 0.940 387 N CB 0.363 38.854 38.487 0.006 0.000 1.133 387 N HN 0.666 nan 8.380 nan 0.000 0.506 388 W N 2.195 123.540 121.300 0.074 0.000 2.800 388 W HA 0.086 4.746 4.660 -0.000 0.000 0.249 388 W C 1.955 178.496 176.519 0.035 0.000 1.294 388 W CA -0.108 57.275 57.345 0.063 0.000 1.402 388 W CB -0.071 29.441 29.460 0.088 0.000 1.126 388 W HN 0.592 nan 8.180 nan 0.000 0.652 389 C N 0.437 119.851 119.300 0.189 0.000 2.432 389 C HA -0.148 4.312 4.460 -0.000 0.000 0.282 389 C C 2.299 177.322 174.990 0.056 0.000 1.388 389 C CA 1.338 60.422 59.018 0.110 0.000 1.777 389 C CB -1.452 26.336 27.740 0.079 0.000 1.882 389 C HN 0.486 nan 8.230 nan 0.000 0.520 390 E N 0.813 121.026 120.200 0.022 0.000 2.489 390 E HA 0.009 4.359 4.350 -0.000 0.000 0.193 390 E C -0.116 176.464 176.600 -0.033 0.000 1.057 390 E CA 0.312 56.701 56.400 -0.018 0.000 0.866 390 E CB -0.181 29.494 29.700 -0.042 0.000 0.916 390 E HN 0.496 nan 8.360 nan 0.000 0.500 391 E N 2.232 122.433 120.200 0.001 0.000 2.129 391 E HA -0.021 4.329 4.350 -0.000 0.000 0.283 391 E C 0.511 177.105 176.600 -0.011 0.000 1.080 391 E CA 0.025 56.432 56.400 0.012 0.000 0.867 391 E CB 1.486 31.254 29.700 0.112 0.000 1.056 391 E HN 0.360 nan 8.360 nan 0.000 0.404 392 Q N 2.989 122.724 119.800 -0.108 0.000 2.135 392 Q HA -0.193 4.147 4.340 -0.000 0.000 0.204 392 Q C 0.338 176.099 176.000 -0.398 0.000 0.981 392 Q CA 1.614 57.232 55.803 -0.307 0.000 0.856 392 Q CB 0.095 28.536 28.738 -0.494 0.000 0.902 392 Q HN 0.593 nan 8.270 nan 0.000 0.425 393 Y N -0.977 119.357 120.300 0.055 0.000 2.571 393 Y HA 0.262 4.812 4.550 -0.000 0.000 0.275 393 Y C 1.463 177.426 175.900 0.105 0.000 1.179 393 Y CA -0.300 57.842 58.100 0.069 0.000 1.242 393 Y CB 0.902 39.397 38.460 0.057 0.000 1.126 393 Y HN 0.069 nan 8.280 nan 0.000 0.524 394 S N -1.636 114.188 115.700 0.208 0.000 3.039 394 S HA 0.297 4.767 4.470 -0.000 0.000 0.251 394 S C 1.838 176.517 174.600 0.132 0.000 1.064 394 S CA 0.588 58.917 58.200 0.215 0.000 0.822 394 S CB 0.528 63.942 63.200 0.357 0.000 0.802 394 S HN 0.526 nan 8.310 nan 0.000 0.519 395 G N 0.984 109.843 108.800 0.099 0.000 2.225 395 G HA2 0.058 4.018 3.960 -0.000 0.000 0.254 395 G HA3 0.058 4.018 3.960 -0.000 0.000 0.254 395 G C 0.510 175.451 174.900 0.068 0.000 0.988 395 G CA 0.145 45.273 45.100 0.046 0.000 0.625 395 G HN 1.365 nan 8.290 nan 0.000 0.527 396 G N -2.308 106.571 108.800 0.132 0.000 2.350 396 G HA2 0.521 4.481 3.960 -0.000 0.000 0.276 396 G HA3 0.521 4.481 3.960 -0.000 0.000 0.276 396 G C -1.015 173.955 174.900 0.118 0.000 1.313 396 G CA 0.348 45.532 45.100 0.140 0.000 0.903 396 G HN 1.506 nan 8.290 nan 0.000 0.490 397 C N -1.714 117.602 119.300 0.027 0.000 3.307 397 C HA 0.577 5.037 4.460 -0.000 0.000 0.333 397 C C 0.696 175.533 174.990 -0.256 0.000 1.291 397 C CA -0.651 58.311 59.018 -0.093 0.000 1.273 397 C CB 0.686 28.276 27.740 -0.250 0.000 1.580 397 C HN 0.728 nan 8.230 nan 0.000 0.481 398 Y N 0.607 120.818 120.300 -0.148 0.000 2.337 398 Y HA 0.233 4.783 4.550 -0.000 0.000 0.293 398 Y C 1.585 177.433 175.900 -0.086 0.000 1.123 398 Y CA 1.214 59.194 58.100 -0.199 0.000 1.201 398 Y CB -0.419 37.890 38.460 -0.252 0.000 1.011 398 Y HN 0.688 nan 8.280 nan 0.000 0.545 399 T N -1.889 112.732 114.554 0.111 0.000 2.671 399 T HA 0.340 4.690 4.350 -0.000 0.000 0.300 399 T C -0.783 174.007 174.700 0.151 0.000 1.238 399 T CA -0.703 61.503 62.100 0.177 0.000 1.020 399 T CB 1.036 70.102 68.868 0.329 0.000 1.503 399 T HN -0.148 nan 8.240 nan 0.000 0.497 400 T N 2.701 117.359 114.554 0.174 0.000 2.851 400 T HA 0.445 4.795 4.350 -0.000 0.000 0.298 400 T C -0.757 173.961 174.700 0.030 0.000 0.977 400 T CA 0.118 62.229 62.100 0.019 0.000 1.126 400 T CB -0.465 68.410 68.868 0.010 0.000 0.916 400 T HN 0.465 nan 8.240 nan 0.000 0.529 401 Y N 1.060 121.142 120.300 -0.363 0.000 2.496 401 Y HA 0.783 5.333 4.550 -0.000 0.000 0.331 401 Y C -1.206 174.133 175.900 -0.934 0.000 1.140 401 Y CA -2.229 55.292 58.100 -0.965 0.000 1.166 401 Y CB 0.738 38.751 38.460 -0.744 0.000 1.249 401 Y HN 0.399 nan 8.280 nan 0.000 0.479 402 F N 3.300 122.488 119.950 -1.270 0.000 2.402 402 F HA 0.560 5.087 4.527 -0.000 0.000 0.355 402 F C -2.308 173.391 175.800 -0.168 0.000 1.123 402 F CA -2.750 54.888 58.000 -0.604 0.000 1.021 402 F CB 1.475 40.184 39.000 -0.484 0.000 1.160 402 F HN 0.365 nan 8.300 nan 0.000 0.451 403 P HA 0.116 nan 4.420 nan 0.000 0.273 403 P C -2.549 174.851 177.300 0.167 0.000 1.250 403 P CA -1.197 61.986 63.100 0.139 0.000 0.793 403 P CB -0.150 31.583 31.700 0.056 0.000 1.011 404 P HA -0.036 nan 4.420 nan 0.000 0.262 404 P C 0.890 178.283 177.300 0.154 0.000 1.182 404 P CA 1.265 64.468 63.100 0.171 0.000 0.761 404 P CB -0.090 31.693 31.700 0.139 0.000 0.795 405 G N 2.939 111.844 108.800 0.175 0.000 2.217 405 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.246 405 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.246 405 G C 0.783 175.801 174.900 0.197 0.000 0.990 405 G CA 0.066 45.260 45.100 0.157 0.000 0.627 405 G HN 0.433 nan 8.290 nan 0.000 0.522 406 I N 0.111 120.830 120.570 0.248 0.000 2.494 406 I HA 0.169 4.339 4.170 -0.000 0.000 0.250 406 I C 2.623 178.990 176.117 0.416 0.000 1.112 406 I CA 1.187 62.690 61.300 0.339 0.000 1.438 406 I CB -1.177 36.947 38.000 0.208 0.000 1.111 406 I HN 0.267 nan 8.210 nan 0.000 0.431 407 L N 1.227 122.676 121.223 0.377 0.000 2.012 407 L HA -0.216 4.124 4.340 -0.000 0.000 0.210 407 L C 2.659 179.606 176.870 0.129 0.000 1.073 407 L CA 2.579 57.511 54.840 0.153 0.000 0.748 407 L CB -1.016 41.036 42.059 -0.011 0.000 0.891 407 L HN 0.425 nan 8.230 nan 0.000 0.431 408 T N -4.067 110.572 114.554 0.142 0.000 2.867 408 T HA -0.156 4.194 4.350 -0.000 0.000 0.268 408 T C 1.794 176.458 174.700 -0.060 0.000 1.057 408 T CA 1.044 63.200 62.100 0.092 0.000 1.136 408 T CB -0.324 68.602 68.868 0.095 0.000 0.874 408 T HN 0.365 nan 8.240 nan 0.000 0.466 409 Q N -0.113 119.648 119.800 -0.065 0.000 2.163 409 Q HA 0.124 4.464 4.340 -0.000 0.000 0.198 409 Q C 1.097 176.782 176.000 -0.525 0.000 0.954 409 Q CA 1.127 56.750 55.803 -0.299 0.000 0.851 409 Q CB 0.025 28.576 28.738 -0.310 0.000 0.928 409 Q HN 0.766 nan 8.270 nan 0.000 0.459 410 Y N -1.564 118.671 120.300 -0.108 0.000 2.471 410 Y HA 0.274 4.824 4.550 -0.000 0.000 0.249 410 Y C 1.985 177.770 175.900 -0.193 0.000 1.116 410 Y CA 0.071 58.092 58.100 -0.132 0.000 1.240 410 Y CB 0.311 38.735 38.460 -0.060 0.000 1.251 410 Y HN 0.083 nan 8.280 nan 0.000 0.527 411 G N 0.658 109.364 108.800 -0.157 0.000 2.442 411 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.219 411 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.219 411 G C 1.670 176.086 174.900 -0.806 0.000 1.141 411 G CA 0.701 45.606 45.100 -0.324 0.000 0.763 411 G HN 0.281 nan 8.290 nan 0.000 0.554 412 R N -0.335 119.413 120.500 -1.254 0.000 2.159 412 R HA -0.041 4.299 4.340 -0.000 0.000 0.237 412 R C 2.483 178.553 176.300 -0.384 0.000 1.131 412 R CA 1.064 56.557 56.100 -1.013 0.000 0.982 412 R CB -0.221 29.601 30.300 -0.797 0.000 0.868 412 R HN 0.369 nan 8.270 nan 0.000 0.453 413 V N 0.821 120.566 119.914 -0.282 0.000 2.871 413 V HA -0.140 3.980 4.120 -0.000 0.000 0.256 413 V C 2.210 178.205 176.094 -0.164 0.000 1.082 413 V CA 0.984 63.180 62.300 -0.173 0.000 1.105 413 V CB -0.433 31.315 31.823 -0.125 0.000 0.713 413 V HN 0.300 nan 8.190 nan 0.000 0.473 414 L N 0.997 122.163 121.223 -0.096 0.000 2.010 414 L HA -0.246 4.094 4.340 -0.000 0.000 0.219 414 L C 2.556 179.380 176.870 -0.076 0.000 1.077 414 L CA 2.495 57.306 54.840 -0.048 0.000 0.773 414 L CB -0.246 41.885 42.059 0.120 0.000 0.892 414 L HN 0.473 nan 8.230 nan 0.000 0.436 415 R N -0.655 119.892 120.500 0.078 0.000 2.509 415 R HA 0.132 4.472 4.340 -0.000 0.000 0.300 415 R C 0.550 176.996 176.300 0.244 0.000 0.985 415 R CA -0.231 56.000 56.100 0.217 0.000 1.092 415 R CB -0.029 30.457 30.300 0.311 0.000 1.237 415 R HN 0.255 nan 8.270 nan 0.000 0.546 416 Q N 2.732 122.599 119.800 0.111 0.000 2.286 416 Q HA 0.195 4.535 4.340 -0.000 0.000 0.267 416 Q C -2.094 174.017 176.000 0.185 0.000 1.028 416 Q CA -2.094 53.774 55.803 0.108 0.000 0.901 416 Q CB 0.874 29.619 28.738 0.012 0.000 1.183 416 Q HN 0.047 nan 8.270 nan 0.000 0.392 417 P HA -0.057 nan 4.420 nan 0.000 0.266 417 P C -1.227 176.064 177.300 -0.015 0.000 1.195 417 P CA -0.002 63.031 63.100 -0.112 0.000 0.768 417 P CB 0.633 32.011 31.700 -0.537 0.000 0.838 418 V N 3.559 123.477 119.914 0.006 0.000 2.257 418 V HA 0.144 4.264 4.120 -0.000 0.000 0.269 418 V C 0.712 176.765 176.094 -0.069 0.000 1.040 418 V CA 0.193 62.497 62.300 0.007 0.000 0.813 418 V CB -0.065 31.810 31.823 0.087 0.000 1.065 418 V HN 0.791 nan 8.190 nan 0.000 0.457 419 D N 4.011 124.373 120.400 -0.064 0.000 4.438 419 D HA -0.302 4.338 4.640 -0.000 0.000 0.158 419 D C 1.350 177.634 176.300 -0.026 0.000 0.686 419 D CA 2.392 56.374 54.000 -0.029 0.000 1.183 419 D CB -0.327 40.469 40.800 -0.008 0.000 0.623 419 D HN 0.542 nan 8.370 nan 0.000 0.521 420 R N -0.085 120.423 120.500 0.015 0.000 2.432 420 R HA 0.451 4.791 4.340 -0.000 0.000 0.260 420 R C -0.159 176.243 176.300 0.170 0.000 0.935 420 R CA -0.143 56.060 56.100 0.172 0.000 1.080 420 R CB 0.458 30.793 30.300 0.057 0.000 1.155 420 R HN 0.293 nan 8.270 nan 0.000 0.531 421 I N 1.217 121.731 120.570 -0.093 0.000 2.331 421 I HA 0.217 4.387 4.170 -0.000 0.000 0.292 421 I C -0.594 175.174 176.117 -0.582 0.000 0.998 421 I CA -0.647 60.512 61.300 -0.235 0.000 1.267 421 I CB 0.681 38.504 38.000 -0.295 0.000 1.386 421 I HN -0.090 nan 8.210 nan 0.000 0.476 422 Y N 5.272 125.329 120.300 -0.404 0.000 2.487 422 Y HA 0.530 5.080 4.550 -0.000 0.000 0.337 422 Y C -0.534 175.063 175.900 -0.506 0.000 1.076 422 Y CA -0.729 57.169 58.100 -0.337 0.000 1.115 422 Y CB 1.529 39.913 38.460 -0.126 0.000 1.235 422 Y HN 0.287 nan 8.280 nan 0.000 0.468 423 F N 1.470 121.527 119.950 0.178 0.000 2.427 423 F HA 0.701 5.228 4.527 -0.000 0.000 0.348 423 F C 0.423 176.303 175.800 0.132 0.000 1.125 423 F CA -0.555 57.524 58.000 0.132 0.000 0.989 423 F CB 1.004 40.064 39.000 0.101 0.000 1.165 423 F HN 0.604 nan 8.300 nan 0.000 0.442 424 A N 2.362 125.333 122.820 0.251 0.000 3.444 424 A HA 0.955 5.275 4.320 -0.000 0.000 0.189 424 A C 0.381 178.095 177.584 0.217 0.000 1.542 424 A CA -0.391 51.759 52.037 0.189 0.000 0.867 424 A CB 0.013 19.082 19.000 0.116 0.000 1.712 424 A HN 1.444 nan 8.150 nan 0.000 0.556 425 G N -2.506 106.401 108.800 0.179 0.000 2.785 425 G HA2 0.095 4.055 3.960 -0.000 0.000 0.686 425 G HA3 0.095 4.055 3.960 -0.000 0.000 0.686 425 G C 0.428 175.459 174.900 0.218 0.000 1.155 425 G CA 0.622 45.835 45.100 0.188 0.000 0.760 425 G HN 1.581 nan 8.290 nan 0.000 0.624 426 T N 0.180 114.864 114.554 0.216 0.000 2.849 426 T HA -0.106 4.244 4.350 -0.000 0.000 0.270 426 T C 2.090 176.992 174.700 0.335 0.000 1.066 426 T CA 2.677 64.932 62.100 0.258 0.000 1.130 426 T CB -0.175 68.840 68.868 0.244 0.000 0.864 426 T HN 0.625 nan 8.240 nan 0.000 0.481 427 E N 0.494 120.897 120.200 0.339 0.000 2.265 427 E HA -0.061 4.289 4.350 -0.000 0.000 0.196 427 E C 2.217 179.075 176.600 0.430 0.000 0.996 427 E CA 1.535 58.187 56.400 0.420 0.000 0.832 427 E CB -0.172 29.738 29.700 0.351 0.000 0.756 427 E HN 0.713 nan 8.360 nan 0.000 0.491 428 T N -2.567 112.203 114.554 0.360 0.000 3.086 428 T HA 0.457 4.807 4.350 -0.000 0.000 0.250 428 T C 0.798 175.738 174.700 0.400 0.000 1.074 428 T CA -0.001 62.314 62.100 0.358 0.000 0.988 428 T CB 0.222 69.276 68.868 0.311 0.000 0.988 428 T HN 0.098 nan 8.240 nan 0.000 0.530 429 A N 1.780 124.839 122.820 0.399 0.000 2.346 429 A HA 0.542 4.862 4.320 -0.000 0.000 0.252 429 A C 1.509 179.363 177.584 0.450 0.000 1.089 429 A CA 0.121 52.396 52.037 0.396 0.000 0.797 429 A CB 0.341 19.535 19.000 0.323 0.000 1.047 429 A HN 0.498 nan 8.150 nan 0.000 0.494 430 T N -2.558 112.238 114.554 0.402 0.000 3.010 430 T HA 0.237 4.587 4.350 -0.000 0.000 0.257 430 T C 0.250 175.054 174.700 0.173 0.000 1.020 430 T CA 0.652 62.942 62.100 0.316 0.000 0.938 430 T CB -0.356 68.639 68.868 0.212 0.000 1.049 430 T HN 0.749 nan 8.240 nan 0.000 0.522 431 H N -1.022 118.075 119.070 0.045 0.000 3.018 431 H HA 0.276 4.832 4.556 -0.000 0.000 0.334 431 H C -0.993 174.354 175.328 0.031 0.000 0.983 431 H CA -1.116 54.883 56.048 -0.083 0.000 1.363 431 H CB 0.887 30.660 29.762 0.019 0.000 1.668 431 H HN 0.308 nan 8.280 nan 0.000 0.513 432 W N 2.250 123.303 121.300 -0.412 0.000 5.538 432 W HA -0.251 4.409 4.660 0.000 0.000 0.377 432 W C 0.505 176.958 176.519 -0.110 0.000 1.406 432 W CA 0.955 58.019 57.345 -0.470 0.000 0.940 432 W CB -1.672 27.433 29.460 -0.592 0.000 2.536 432 W HN 0.401 nan 8.180 nan 0.000 1.504 433 S N 0.534 116.271 115.700 0.062 0.000 2.558 433 S HA 0.376 4.846 4.470 -0.000 0.000 0.293 433 S C 1.420 176.250 174.600 0.382 0.000 1.292 433 S CA 1.735 60.092 58.200 0.261 0.000 1.063 433 S CB 0.793 64.213 63.200 0.368 0.000 0.831 433 S HN 1.443 nan 8.310 nan 0.000 0.499 434 G N 3.027 112.118 108.800 0.485 0.000 2.232 434 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.226 434 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.226 434 G C -0.195 174.848 174.900 0.238 0.000 0.996 434 G CA 0.258 45.652 45.100 0.490 0.000 0.626 434 G HN 0.689 nan 8.290 nan 0.000 0.509 435 Y N -0.351 120.067 120.300 0.197 0.000 2.602 435 Y HA 0.714 5.264 4.550 -0.000 0.000 0.330 435 Y C 2.014 177.956 175.900 0.071 0.000 1.114 435 Y CA -0.739 57.425 58.100 0.106 0.000 1.182 435 Y CB 0.805 39.312 38.460 0.078 0.000 1.305 435 Y HN -0.021 nan 8.280 nan 0.000 0.502 436 M N -0.153 119.553 119.600 0.178 0.000 2.149 436 M HA -0.213 4.267 4.480 -0.000 0.000 0.261 436 M C 1.843 178.208 176.300 0.108 0.000 1.064 436 M CA 2.017 57.388 55.300 0.120 0.000 1.102 436 M CB -0.265 32.400 32.600 0.108 0.000 1.369 436 M HN 0.782 nan 8.290 nan 0.000 0.408 437 E N 0.792 121.034 120.200 0.071 0.000 2.038 437 E HA -0.156 4.194 4.350 -0.000 0.000 0.195 437 E C 1.977 178.642 176.600 0.109 0.000 1.000 437 E CA 2.105 58.513 56.400 0.012 0.000 0.803 437 E CB -0.718 28.858 29.700 -0.206 0.000 0.750 437 E HN 0.427 nan 8.360 nan 0.000 0.448 438 G N 0.020 108.935 108.800 0.192 0.000 2.432 438 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.219 438 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.219 438 G C 1.702 176.720 174.900 0.197 0.000 1.135 438 G CA 1.118 46.353 45.100 0.225 0.000 0.767 438 G HN 0.480 nan 8.290 nan 0.000 0.550 439 A N 0.227 123.150 122.820 0.171 0.000 1.902 439 A HA 0.056 4.376 4.320 -0.000 0.000 0.217 439 A C 2.616 180.265 177.584 0.107 0.000 1.181 439 A CA 1.882 54.003 52.037 0.140 0.000 0.623 439 A CB -0.613 18.458 19.000 0.119 0.000 0.818 439 A HN 0.261 nan 8.150 nan 0.000 0.443 440 V N 0.124 120.093 119.914 0.092 0.000 2.261 440 V HA -0.278 3.842 4.120 -0.000 0.000 0.246 440 V C 2.546 178.682 176.094 0.071 0.000 1.047 440 V CA 2.245 64.585 62.300 0.067 0.000 1.015 440 V CB -0.840 31.016 31.823 0.054 0.000 0.642 440 V HN 0.729 nan 8.190 nan 0.000 0.446 441 E N 0.421 120.682 120.200 0.102 0.000 2.049 441 E HA -0.305 4.045 4.350 -0.000 0.000 0.198 441 E C 2.232 178.878 176.600 0.076 0.000 1.007 441 E CA 1.921 58.391 56.400 0.116 0.000 0.809 441 E CB -0.205 29.611 29.700 0.194 0.000 0.749 441 E HN 0.546 nan 8.360 nan 0.000 0.450 442 A N 0.608 123.494 122.820 0.111 0.000 1.898 442 A HA -0.065 4.255 4.320 -0.000 0.000 0.216 442 A C 2.426 180.035 177.584 0.042 0.000 1.181 442 A CA 1.761 53.855 52.037 0.094 0.000 0.620 442 A CB -1.041 18.060 19.000 0.168 0.000 0.819 442 A HN 0.453 nan 8.150 nan 0.000 0.442 443 G N -0.383 108.447 108.800 0.049 0.000 2.421 443 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.216 443 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.216 443 G C 1.441 176.331 174.900 -0.017 0.000 1.171 443 G CA 0.965 46.081 45.100 0.026 0.000 0.775 443 G HN 0.648 nan 8.290 nan 0.000 0.543 444 E N -0.201 119.985 120.200 -0.023 0.000 2.107 444 E HA -0.055 4.295 4.350 -0.000 0.000 0.191 444 E C 2.522 179.053 176.600 -0.114 0.000 0.982 444 E CA 0.255 56.624 56.400 -0.051 0.000 0.809 444 E CB -0.103 29.581 29.700 -0.025 0.000 0.756 444 E HN 0.302 nan 8.360 nan 0.000 0.459 445 R N 1.219 121.619 120.500 -0.166 0.000 2.075 445 R HA -0.100 4.240 4.340 -0.000 0.000 0.232 445 R C 2.193 178.325 176.300 -0.280 0.000 1.126 445 R CA 1.362 57.256 56.100 -0.343 0.000 0.963 445 R CB -0.235 29.710 30.300 -0.590 0.000 0.858 445 R HN 0.129 nan 8.270 nan 0.000 0.435 446 A N 1.024 123.751 122.820 -0.156 0.000 1.902 446 A HA -0.092 4.228 4.320 -0.000 0.000 0.217 446 A C 2.424 179.907 177.584 -0.169 0.000 1.181 446 A CA 1.789 53.772 52.037 -0.089 0.000 0.623 446 A CB -0.767 18.239 19.000 0.011 0.000 0.818 446 A HN 0.544 nan 8.150 nan 0.000 0.443 447 A N -0.269 122.465 122.820 -0.142 0.000 1.908 447 A HA -0.203 4.117 4.320 -0.000 0.000 0.218 447 A C 2.259 179.721 177.584 -0.204 0.000 1.181 447 A CA 1.675 53.618 52.037 -0.157 0.000 0.627 447 A CB -0.487 18.456 19.000 -0.096 0.000 0.818 447 A HN 0.546 nan 8.150 nan 0.000 0.445 448 R N -0.574 119.813 120.500 -0.188 0.000 2.115 448 R HA -0.084 4.256 4.340 -0.000 0.000 0.230 448 R C 2.068 178.247 176.300 -0.201 0.000 1.111 448 R CA 1.259 57.253 56.100 -0.177 0.000 0.976 448 R CB -0.241 29.962 30.300 -0.163 0.000 0.870 448 R HN 0.690 nan 8.270 nan 0.000 0.445 449 E N 0.554 120.596 120.200 -0.264 0.000 2.077 449 E HA -0.201 4.149 4.350 -0.000 0.000 0.193 449 E C 1.947 178.238 176.600 -0.514 0.000 0.989 449 E CA 1.145 57.380 56.400 -0.276 0.000 0.800 449 E CB -0.089 29.488 29.700 -0.205 0.000 0.746 449 E HN 0.316 nan 8.360 nan 0.000 0.452 450 I N 0.942 121.070 120.570 -0.737 0.000 2.252 450 I HA -0.271 3.899 4.170 -0.000 0.000 0.245 450 I C 2.288 178.072 176.117 -0.556 0.000 1.102 450 I CA 0.846 61.603 61.300 -0.905 0.000 1.385 450 I CB -0.094 37.418 38.000 -0.813 0.000 1.064 450 I HN 0.106 nan 8.210 nan 0.000 0.414 451 L N -0.181 120.848 121.223 -0.324 0.000 2.079 451 L HA -0.288 4.052 4.340 -0.000 0.000 0.210 451 L C 2.692 179.489 176.870 -0.122 0.000 1.081 451 L CA 1.633 56.363 54.840 -0.184 0.000 0.752 451 L CB -0.878 41.111 42.059 -0.116 0.000 0.896 451 L HN 0.378 nan 8.230 nan 0.000 0.433 452 H N 0.018 118.974 119.070 -0.189 0.000 2.357 452 H HA -0.073 4.483 4.556 -0.000 0.000 0.301 452 H C 2.119 177.385 175.328 -0.103 0.000 1.082 452 H CA 1.362 57.341 56.048 -0.115 0.000 1.342 452 H CB 0.079 29.792 29.762 -0.083 0.000 1.389 452 H HN 0.242 nan 8.280 nan 0.000 0.511 453 A N 0.472 123.119 122.820 -0.287 0.000 1.978 453 A HA -0.146 4.174 4.320 -0.000 0.000 0.220 453 A C 2.249 179.732 177.584 -0.168 0.000 1.170 453 A CA 1.764 53.649 52.037 -0.254 0.000 0.636 453 A CB -0.621 18.211 19.000 -0.279 0.000 0.810 453 A HN 0.563 nan 8.150 nan 0.000 0.448 454 M N -1.422 118.064 119.600 -0.191 0.000 2.618 454 M HA 0.165 4.645 4.480 -0.000 0.000 0.240 454 M C 1.313 177.571 176.300 -0.070 0.000 1.123 454 M CA 0.760 56.022 55.300 -0.064 0.000 1.060 454 M CB 0.221 32.790 32.600 -0.053 0.000 1.535 454 M HN 0.614 nan 8.290 nan 0.000 0.507 455 G N 1.037 109.758 108.800 -0.132 0.000 2.143 455 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.248 455 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.248 455 G C 0.853 175.725 174.900 -0.048 0.000 0.991 455 G CA 0.446 45.485 45.100 -0.102 0.000 0.689 455 G HN 0.468 nan 8.290 nan 0.000 0.522 456 K N -0.507 119.866 120.400 -0.045 0.000 2.314 456 K HA 0.322 4.642 4.320 -0.000 0.000 0.198 456 K C 1.306 177.905 176.600 -0.001 0.000 1.045 456 K CA 1.265 57.538 56.287 -0.024 0.000 0.988 456 K CB 0.282 32.760 32.500 -0.037 0.000 0.783 456 K HN 0.798 nan 8.250 nan 0.000 0.484 457 I N -1.831 118.755 120.570 0.026 0.000 2.865 457 I HA 0.449 4.619 4.170 -0.000 0.000 0.302 457 I C -2.944 173.259 176.117 0.144 0.000 1.140 457 I CA -3.021 58.312 61.300 0.055 0.000 1.021 457 I CB 2.233 40.249 38.000 0.028 0.000 1.233 457 I HN -0.255 nan 8.210 nan 0.000 0.427 458 P HA 0.098 nan 4.420 nan 0.000 0.274 458 P C 0.186 177.504 177.300 0.031 0.000 1.246 458 P CA -0.041 63.138 63.100 0.131 0.000 0.795 458 P CB 1.105 32.843 31.700 0.064 0.000 1.006 459 E N 0.790 120.924 120.200 -0.110 0.000 2.118 459 E HA -0.231 4.119 4.350 -0.000 0.000 0.195 459 E C 1.023 177.532 176.600 -0.151 0.000 0.992 459 E CA 1.511 57.654 56.400 -0.428 0.000 0.804 459 E CB -0.125 29.390 29.700 -0.310 0.000 0.741 459 E HN 0.489 nan 8.360 nan 0.000 0.458 460 D N -0.130 120.245 120.400 -0.041 0.000 2.378 460 D HA -0.134 4.506 4.640 -0.000 0.000 0.227 460 D C 0.899 177.221 176.300 0.038 0.000 1.012 460 D CA 0.552 54.563 54.000 0.019 0.000 0.905 460 D CB -0.200 40.614 40.800 0.023 0.000 0.895 460 D HN 0.295 nan 8.370 nan 0.000 0.532 461 E N -0.336 119.869 120.200 0.008 0.000 2.474 461 E HA 0.175 4.525 4.350 -0.000 0.000 0.195 461 E C 1.884 178.476 176.600 -0.013 0.000 1.039 461 E CA -0.272 56.135 56.400 0.012 0.000 0.881 461 E CB 0.351 30.054 29.700 0.006 0.000 0.970 461 E HN 0.321 nan 8.360 nan 0.000 0.486 462 I N -0.014 120.533 120.570 -0.039 0.000 2.179 462 I HA -0.183 3.987 4.170 -0.000 0.000 0.242 462 I C 0.460 176.437 176.117 -0.234 0.000 1.088 462 I CA 1.118 62.327 61.300 -0.152 0.000 1.357 462 I CB 0.076 37.970 38.000 -0.178 0.000 1.051 462 I HN 0.098 nan 8.210 nan 0.000 0.409 463 W N 1.611 122.908 121.300 -0.006 0.000 2.314 463 W HA 0.488 5.148 4.660 -0.000 0.000 0.310 463 W C 0.025 176.549 176.519 0.009 0.000 1.075 463 W CA -0.269 57.084 57.345 0.013 0.000 1.253 463 W CB 0.568 30.038 29.460 0.016 0.000 1.238 463 W HN -0.045 nan 8.180 nan 0.000 0.440 464 Q N 2.404 122.317 119.800 0.189 0.000 2.331 464 Q HA 0.375 4.715 4.340 -0.000 0.000 0.267 464 Q C 0.264 176.339 176.000 0.126 0.000 1.006 464 Q CA -0.503 55.371 55.803 0.119 0.000 0.818 464 Q CB 1.584 30.358 28.738 0.059 0.000 1.276 464 Q HN 0.541 nan 8.270 nan 0.000 0.450 465 S N 2.177 117.936 115.700 0.099 0.000 2.584 465 S HA 0.269 4.739 4.470 -0.000 0.000 0.270 465 S C -0.184 174.459 174.600 0.072 0.000 1.346 465 S CA -0.612 57.638 58.200 0.082 0.000 1.018 465 S CB 1.317 64.548 63.200 0.052 0.000 0.899 465 S HN 0.630 nan 8.310 nan 0.000 0.542 466 E N 0.997 121.242 120.200 0.075 0.000 2.187 466 E HA 0.582 4.932 4.350 -0.000 0.000 0.268 466 E C -2.763 173.869 176.600 0.053 0.000 0.896 466 E CA -2.157 54.283 56.400 0.066 0.000 0.766 466 E CB 0.972 30.723 29.700 0.084 0.000 1.142 466 E HN 0.547 nan 8.360 nan 0.000 0.408 467 P HA 0.089 nan 4.420 nan 0.000 0.271 467 P C -0.796 176.524 177.300 0.034 0.000 1.216 467 P CA -0.248 62.871 63.100 0.032 0.000 0.776 467 P CB 0.545 32.260 31.700 0.025 0.000 0.881 468 E N 1.535 121.753 120.200 0.030 0.000 2.414 468 E HA 0.072 4.422 4.350 -0.000 0.000 0.263 468 E C -0.102 176.510 176.600 0.021 0.000 1.000 468 E CA -0.237 56.180 56.400 0.028 0.000 0.914 468 E CB 0.387 30.101 29.700 0.024 0.000 0.948 468 E HN 0.375 nan 8.360 nan 0.000 0.444 469 S N 3.010 118.720 115.700 0.017 0.000 2.546 469 S HA -0.042 4.428 4.470 -0.000 0.000 0.290 469 S C 1.159 175.765 174.600 0.010 0.000 1.290 469 S CA -0.112 58.095 58.200 0.012 0.000 1.069 469 S CB 0.790 63.992 63.200 0.003 0.000 0.846 469 S HN 0.529 nan 8.310 nan 0.000 0.495 470 V N 2.091 122.012 119.914 0.012 0.000 2.871 470 V HA 0.051 4.171 4.120 -0.000 0.000 0.256 470 V C 1.532 177.631 176.094 0.009 0.000 1.082 470 V CA 1.441 63.748 62.300 0.010 0.000 1.105 470 V CB -0.570 31.260 31.823 0.011 0.000 0.713 470 V HN 0.818 nan 8.190 nan 0.000 0.473 471 D N 1.142 121.548 120.400 0.010 0.000 2.194 471 D HA 0.058 4.698 4.640 -0.000 0.000 0.204 471 D C 0.754 177.053 176.300 -0.002 0.000 0.964 471 D CA 1.266 55.271 54.000 0.009 0.000 0.846 471 D CB 0.618 41.429 40.800 0.017 0.000 0.962 471 D HN 0.515 nan 8.370 nan 0.000 0.490 472 V N 3.752 123.660 119.914 -0.011 0.000 2.313 472 V HA 0.204 4.324 4.120 -0.000 0.000 0.262 472 V C -2.377 173.706 176.094 -0.020 0.000 1.011 472 V CA -1.337 60.947 62.300 -0.028 0.000 0.858 472 V CB 1.271 33.060 31.823 -0.056 0.000 1.104 472 V HN -0.048 nan 8.190 nan 0.000 0.456 473 P HA 0.378 nan 4.420 nan 0.000 0.275 473 P C -0.417 176.881 177.300 -0.003 0.000 1.228 473 P CA -0.007 63.092 63.100 -0.002 0.000 0.786 473 P CB 1.610 33.310 31.700 0.001 0.000 0.927 474 A N 3.289 126.114 122.820 0.007 0.000 2.260 474 A HA 0.325 4.645 4.320 -0.000 0.000 0.314 474 A C 0.233 177.824 177.584 0.011 0.000 1.257 474 A CA -0.531 51.514 52.037 0.013 0.000 0.871 474 A CB 0.210 19.229 19.000 0.031 0.000 1.166 474 A HN 0.429 nan 8.150 nan 0.000 0.522 475 Q N 2.862 122.667 119.800 0.008 0.000 2.288 475 Q HA 0.331 4.671 4.340 -0.000 0.000 0.254 475 Q C -2.297 173.709 176.000 0.010 0.000 0.932 475 Q CA -1.815 53.993 55.803 0.007 0.000 0.902 475 Q CB 0.839 29.579 28.738 0.004 0.000 1.203 475 Q HN 0.558 nan 8.270 nan 0.000 0.415 476 P HA 0.153 nan 4.420 nan 0.000 0.271 476 P C -0.293 177.011 177.300 0.006 0.000 1.218 476 P CA -0.317 62.786 63.100 0.004 0.000 0.780 476 P CB 0.751 32.451 31.700 0.000 0.000 0.901 477 I N 2.545 123.114 120.570 -0.000 0.000 2.396 477 I HA 0.152 4.322 4.170 -0.000 0.000 0.289 477 I C 1.192 177.308 176.117 -0.002 0.000 1.056 477 I CA 0.257 61.558 61.300 0.002 0.000 1.365 477 I CB -0.003 37.990 38.000 -0.011 0.000 1.407 477 I HN 0.406 nan 8.210 nan 0.000 0.509 478 T N 1.949 116.510 114.554 0.011 0.000 2.912 478 T HA 0.774 5.124 4.350 -0.000 0.000 0.288 478 T C 0.001 174.706 174.700 0.009 0.000 1.030 478 T CA -0.753 61.353 62.100 0.010 0.000 1.020 478 T CB 2.070 70.951 68.868 0.022 0.000 1.056 478 T HN 0.637 nan 8.240 nan 0.000 0.480 479 T N -0.990 113.564 114.554 0.000 0.000 2.887 479 T HA 0.681 5.031 4.350 -0.000 0.000 0.288 479 T C 0.400 175.115 174.700 0.025 0.000 1.021 479 T CA -0.797 61.298 62.100 -0.008 0.000 1.000 479 T CB 1.254 70.089 68.868 -0.055 0.000 1.034 479 T HN 0.979 nan 8.240 nan 0.000 0.467 480 T N 0.165 114.744 114.554 0.043 0.000 2.828 480 T HA 0.331 4.681 4.350 -0.000 0.000 0.290 480 T C 0.880 175.651 174.700 0.118 0.000 1.019 480 T CA -0.789 61.368 62.100 0.096 0.000 1.031 480 T CB 0.395 69.326 68.868 0.106 0.000 1.001 480 T HN 0.530 nan 8.240 nan 0.000 0.531 481 F N 0.817 120.799 119.950 0.054 0.000 2.095 481 F HA -0.007 4.520 4.527 -0.000 0.000 0.298 481 F C 1.937 177.811 175.800 0.123 0.000 1.104 481 F CA 1.376 59.440 58.000 0.107 0.000 1.232 481 F CB -0.537 38.525 39.000 0.102 0.000 0.987 481 F HN 0.500 nan 8.300 nan 0.000 0.475 482 L N 0.185 121.499 121.223 0.152 0.000 2.046 482 L HA -0.213 4.127 4.340 -0.000 0.000 0.208 482 L C 2.400 179.258 176.870 -0.020 0.000 1.077 482 L CA 1.761 56.639 54.840 0.064 0.000 0.747 482 L CB -0.728 41.425 42.059 0.157 0.000 0.896 482 L HN 0.141 nan 8.230 nan 0.000 0.432 483 E N -0.431 119.764 120.200 -0.009 0.000 2.118 483 E HA -0.233 4.117 4.350 -0.000 0.000 0.195 483 E C 2.362 178.862 176.600 -0.168 0.000 0.992 483 E CA 1.034 57.396 56.400 -0.064 0.000 0.804 483 E CB -0.007 29.664 29.700 -0.048 0.000 0.741 483 E HN 0.378 nan 8.360 nan 0.000 0.458 484 R N -0.523 119.820 120.500 -0.262 0.000 2.090 484 R HA -0.045 4.295 4.340 -0.000 0.000 0.228 484 R C 1.690 177.621 176.300 -0.616 0.000 1.110 484 R CA 1.012 56.827 56.100 -0.476 0.000 0.973 484 R CB 0.071 29.990 30.300 -0.635 0.000 0.869 484 R HN 0.296 nan 8.270 nan 0.000 0.440 485 H N -0.964 117.907 119.070 -0.332 0.000 2.986 485 H HA 0.211 4.767 4.556 -0.000 0.000 0.267 485 H C 0.312 175.520 175.328 -0.200 0.000 1.072 485 H CA -0.201 55.651 56.048 -0.325 0.000 1.202 485 H CB 0.546 29.966 29.762 -0.570 0.000 1.535 485 H HN 0.021 nan 8.280 nan 0.000 0.522 486 L N 4.489 125.673 121.223 -0.064 0.000 2.490 486 L HA 0.055 4.395 4.340 -0.000 0.000 0.274 486 L C -1.675 175.171 176.870 -0.041 0.000 1.201 486 L CA -1.366 53.465 54.840 -0.016 0.000 0.869 486 L CB 0.391 42.471 42.059 0.036 0.000 1.123 486 L HN -0.010 nan 8.230 nan 0.000 0.484 487 P HA 0.121 nan 4.420 nan 0.000 0.276 487 P C -0.618 176.631 177.300 -0.086 0.000 1.244 487 P CA -0.582 62.482 63.100 -0.061 0.000 0.801 487 P CB 1.059 32.724 31.700 -0.057 0.000 1.006 488 S N 0.179 115.809 115.700 -0.118 0.000 2.626 488 S HA 0.085 4.555 4.470 -0.000 0.000 0.257 488 S C 1.523 175.981 174.600 -0.235 0.000 1.288 488 S CA -0.539 57.564 58.200 -0.161 0.000 0.980 488 S CB -0.390 62.710 63.200 -0.167 0.000 0.975 488 S HN 0.221 nan 8.310 nan 0.000 0.577 489 V N 2.344 122.049 119.914 -0.347 0.000 2.261 489 V HA -0.070 4.050 4.120 -0.000 0.000 0.246 489 V C -0.432 175.246 176.094 -0.692 0.000 1.047 489 V CA 1.911 63.920 62.300 -0.485 0.000 1.015 489 V CB -1.919 29.603 31.823 -0.501 0.000 0.642 489 V HN 0.801 nan 8.190 nan 0.000 0.446 490 P HA -0.104 nan 4.420 nan 0.000 0.218 490 P C 1.749 178.847 177.300 -0.337 0.000 1.149 490 P CA 1.952 64.612 63.100 -0.733 0.000 0.817 490 P CB -0.276 31.087 31.700 -0.562 0.000 0.785 491 G N 0.641 109.284 108.800 -0.263 0.000 2.418 491 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.217 491 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.217 491 G C 1.528 176.350 174.900 -0.130 0.000 1.158 491 G CA 0.588 45.597 45.100 -0.152 0.000 0.771 491 G HN 0.260 nan 8.290 nan 0.000 0.545 492 L N 0.265 121.396 121.223 -0.153 0.000 2.093 492 L HA 0.171 4.511 4.340 -0.000 0.000 0.208 492 L C 2.644 179.450 176.870 -0.106 0.000 1.085 492 L CA 1.190 55.964 54.840 -0.110 0.000 0.755 492 L CB -0.230 41.768 42.059 -0.101 0.000 0.904 492 L HN 0.192 nan 8.230 nan 0.000 0.435 493 L N -0.992 120.137 121.223 -0.156 0.000 2.093 493 L HA -0.152 4.188 4.340 -0.000 0.000 0.208 493 L C 2.734 179.557 176.870 -0.079 0.000 1.085 493 L CA 1.031 55.798 54.840 -0.121 0.000 0.755 493 L CB -0.520 41.437 42.059 -0.171 0.000 0.904 493 L HN 0.202 nan 8.230 nan 0.000 0.435 494 R N -0.473 119.975 120.500 -0.087 0.000 2.092 494 R HA -0.126 4.214 4.340 -0.000 0.000 0.231 494 R C 2.164 178.441 176.300 -0.038 0.000 1.119 494 R CA 0.972 57.041 56.100 -0.051 0.000 0.970 494 R CB -0.276 29.994 30.300 -0.050 0.000 0.864 494 R HN 0.192 nan 8.270 nan 0.000 0.440 495 L N 0.832 122.029 121.223 -0.044 0.000 2.141 495 L HA -0.033 4.307 4.340 -0.000 0.000 0.209 495 L C 1.206 178.062 176.870 -0.023 0.000 1.094 495 L CA 1.329 56.151 54.840 -0.030 0.000 0.763 495 L CB -0.262 41.779 42.059 -0.031 0.000 0.908 495 L HN 0.032 nan 8.230 nan 0.000 0.437 496 I N 0.000 120.554 120.570 -0.027 0.000 2.984 496 I HA 0.000 4.170 4.170 -0.000 0.000 0.288 496 I CA 0.000 61.289 61.300 -0.018 0.000 1.566 496 I CB 0.000 37.988 38.000 -0.019 0.000 1.214 496 I HN 0.000 nan 8.210 nan 0.000 0.494