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 1s2q_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 0.000 175.511 175.510 0.002 0.000 1.280 3 N CA 0.000 52.962 53.050 -0.146 0.000 0.885 3 N CB 0.000 38.428 38.487 -0.099 0.000 1.341 4 K N 1.148 121.565 120.400 0.027 0.000 2.138 4 K HA 0.649 4.969 4.320 -0.000 0.000 0.263 4 K C -0.140 176.500 176.600 0.068 0.000 0.965 4 K CA -0.509 55.806 56.287 0.046 0.000 0.868 4 K CB 2.266 34.779 32.500 0.021 0.000 1.083 4 K HN 0.624 nan 8.250 nan 0.000 0.443 5 C N -1.370 117.972 119.300 0.071 0.000 3.272 5 C HA 0.369 4.829 4.460 -0.000 0.000 0.363 5 C C 0.567 175.592 174.990 0.059 0.000 1.514 5 C CA -0.772 58.288 59.018 0.069 0.000 1.185 5 C CB 0.802 28.594 27.740 0.087 0.000 1.716 5 C HN 0.814 nan 8.230 nan 0.000 0.440 6 D N 0.288 120.726 120.400 0.064 0.000 2.149 6 D HA 0.146 4.786 4.640 -0.000 0.000 0.206 6 D C 0.330 176.696 176.300 0.109 0.000 0.967 6 D CA 1.639 55.687 54.000 0.079 0.000 0.848 6 D CB 0.255 41.103 40.800 0.079 0.000 0.998 6 D HN 0.491 nan 8.370 nan 0.000 0.474 7 V N 1.520 121.489 119.914 0.092 0.000 2.623 7 V HA 0.256 4.376 4.120 -0.000 0.000 0.304 7 V C -0.170 175.956 176.094 0.053 0.000 1.054 7 V CA -0.850 61.506 62.300 0.094 0.000 0.882 7 V CB 2.778 34.647 31.823 0.076 0.000 1.002 7 V HN -0.238 nan 8.190 nan 0.000 0.424 8 V N 5.294 125.235 119.914 0.044 0.000 2.407 8 V HA 0.397 4.517 4.120 -0.000 0.000 0.278 8 V C -0.046 176.041 176.094 -0.011 0.000 1.037 8 V CA -0.414 61.882 62.300 -0.006 0.000 0.900 8 V CB 1.829 33.641 31.823 -0.017 0.000 0.983 8 V HN 0.639 nan 8.190 nan 0.000 0.459 9 V N 6.246 126.139 119.914 -0.036 0.000 2.350 9 V HA 0.320 4.440 4.120 -0.000 0.000 0.276 9 V C 0.008 176.076 176.094 -0.044 0.000 1.028 9 V CA -0.577 61.707 62.300 -0.026 0.000 0.860 9 V CB 1.699 33.509 31.823 -0.020 0.000 0.990 9 V HN 0.603 nan 8.190 nan 0.000 0.453 10 V N 4.587 124.489 119.914 -0.021 0.000 2.368 10 V HA 0.807 4.927 4.120 -0.000 0.000 0.266 10 V C 0.704 176.800 176.094 0.004 0.000 1.045 10 V CA 0.406 62.694 62.300 -0.020 0.000 0.899 10 V CB 0.401 32.228 31.823 0.007 0.000 1.006 10 V HN 1.264 nan 8.190 nan 0.000 0.470 11 G N 3.592 112.382 108.800 -0.017 0.000 3.226 11 G HA2 0.205 4.165 3.960 -0.000 0.000 0.685 11 G HA3 0.205 4.165 3.960 -0.000 0.000 0.685 11 G C 0.057 174.957 174.900 0.001 0.000 1.207 11 G CA -0.506 44.596 45.100 0.003 0.000 0.877 11 G HN 1.193 nan 8.290 nan 0.000 0.585 12 G N 0.719 109.517 108.800 -0.003 0.000 4.098 12 G HA2 0.679 4.639 3.960 -0.000 0.000 0.300 12 G HA3 0.679 4.639 3.960 -0.000 0.000 0.300 12 G C 0.867 175.782 174.900 0.025 0.000 1.187 12 G CA 0.934 46.034 45.100 0.000 0.000 0.964 12 G HN 1.277 nan 8.290 nan 0.000 0.559 13 G N -0.105 108.721 108.800 0.043 0.000 2.535 13 G HA2 0.364 4.324 3.960 -0.000 0.000 0.282 13 G HA3 0.364 4.324 3.960 -0.000 0.000 0.282 13 G C 1.162 176.090 174.900 0.046 0.000 1.350 13 G CA -0.758 44.378 45.100 0.059 0.000 1.039 13 G HN 0.123 nan 8.290 nan 0.000 0.509 14 I N -0.570 120.030 120.570 0.050 0.000 2.208 14 I HA -0.213 3.957 4.170 -0.000 0.000 0.245 14 I C 3.030 179.173 176.117 0.042 0.000 1.097 14 I CA 1.586 62.910 61.300 0.039 0.000 1.363 14 I CB -0.086 37.941 38.000 0.045 0.000 1.051 14 I HN 0.457 nan 8.210 nan 0.000 0.413 15 S N 0.464 116.200 115.700 0.060 0.000 2.356 15 S HA -0.132 4.338 4.470 -0.000 0.000 0.223 15 S C 2.120 176.747 174.600 0.045 0.000 1.032 15 S CA 1.628 59.866 58.200 0.065 0.000 1.005 15 S CB -0.627 62.629 63.200 0.093 0.000 0.867 15 S HN 0.578 nan 8.310 nan 0.000 0.449 16 G N 1.535 110.360 108.800 0.042 0.000 2.418 16 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.217 16 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.217 16 G C 1.445 176.349 174.900 0.007 0.000 1.158 16 G CA 1.007 46.121 45.100 0.024 0.000 0.771 16 G HN 0.390 nan 8.290 nan 0.000 0.545 17 M N 1.231 120.834 119.600 0.005 0.000 2.117 17 M HA 0.081 4.561 4.480 -0.000 0.000 0.262 17 M C 3.013 179.308 176.300 -0.008 0.000 1.065 17 M CA 1.215 56.509 55.300 -0.009 0.000 1.114 17 M CB -1.379 31.213 32.600 -0.013 0.000 1.361 17 M HN 0.311 nan 8.290 nan 0.000 0.408 18 A N 0.205 123.026 122.820 0.001 0.000 1.933 18 A HA 0.007 4.327 4.320 -0.000 0.000 0.218 18 A C 2.449 180.033 177.584 -0.000 0.000 1.175 18 A CA 2.122 54.160 52.037 0.002 0.000 0.628 18 A CB -0.878 18.129 19.000 0.011 0.000 0.814 18 A HN 0.475 nan 8.150 nan 0.000 0.444 19 A N -0.141 122.679 122.820 0.000 0.000 1.873 19 A HA 0.191 4.511 4.320 -0.000 0.000 0.215 19 A C 2.522 180.103 177.584 -0.006 0.000 1.186 19 A CA 2.036 54.068 52.037 -0.010 0.000 0.616 19 A CB -1.053 17.942 19.000 -0.008 0.000 0.823 19 A HN 1.041 nan 8.150 nan 0.000 0.442 20 A N -0.234 122.584 122.820 -0.002 0.000 1.902 20 A HA -0.179 4.141 4.320 -0.000 0.000 0.217 20 A C 2.147 179.749 177.584 0.029 0.000 1.181 20 A CA 2.033 54.073 52.037 0.004 0.000 0.623 20 A CB -0.489 18.501 19.000 -0.016 0.000 0.818 20 A HN 0.551 nan 8.150 nan 0.000 0.443 21 K N -0.499 119.910 120.400 0.014 0.000 2.032 21 K HA -0.136 4.184 4.320 -0.000 0.000 0.209 21 K C 2.012 178.652 176.600 0.066 0.000 1.048 21 K CA 1.609 57.920 56.287 0.039 0.000 0.927 21 K CB -0.341 32.165 32.500 0.010 0.000 0.712 21 K HN 0.450 nan 8.250 nan 0.000 0.441 22 L N 1.182 122.422 121.223 0.027 0.000 2.012 22 L HA -0.222 4.118 4.340 -0.000 0.000 0.210 22 L C 2.232 179.108 176.870 0.011 0.000 1.073 22 L CA 1.335 56.182 54.840 0.010 0.000 0.748 22 L CB -0.179 41.871 42.059 -0.014 0.000 0.891 22 L HN 0.252 nan 8.230 nan 0.000 0.431 23 L N -1.275 119.956 121.223 0.015 0.000 2.056 23 L HA -0.262 4.078 4.340 -0.000 0.000 0.207 23 L C 2.593 179.484 176.870 0.036 0.000 1.078 23 L CA 1.477 56.322 54.840 0.008 0.000 0.749 23 L CB -0.833 41.229 42.059 0.005 0.000 0.901 23 L HN 0.406 nan 8.230 nan 0.000 0.433 24 H N 0.303 119.362 119.070 -0.019 0.000 2.353 24 H HA -0.194 4.362 4.556 -0.000 0.000 0.300 24 H C 1.778 177.098 175.328 -0.012 0.000 1.090 24 H CA 2.013 58.054 56.048 -0.012 0.000 1.327 24 H CB 0.021 29.776 29.762 -0.012 0.000 1.383 24 H HN 0.227 nan 8.280 nan 0.000 0.508 25 D N -0.610 119.780 120.400 -0.016 0.000 2.218 25 D HA -0.092 4.548 4.640 -0.000 0.000 0.204 25 D C 1.966 178.214 176.300 -0.086 0.000 0.976 25 D CA 1.130 55.091 54.000 -0.064 0.000 0.853 25 D CB -0.223 40.582 40.800 0.008 0.000 0.939 25 D HN 0.317 nan 8.370 nan 0.000 0.481 26 S N -1.179 114.481 115.700 -0.066 0.000 2.522 26 S HA 0.202 4.672 4.470 -0.000 0.000 0.227 26 S C 1.583 176.140 174.600 -0.072 0.000 0.986 26 S CA 0.730 58.895 58.200 -0.058 0.000 0.929 26 S CB 0.509 63.683 63.200 -0.044 0.000 0.769 26 S HN 0.469 nan 8.310 nan 0.000 0.529 27 G N 0.683 109.416 108.800 -0.111 0.000 2.163 27 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.213 27 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.213 27 G C -0.070 174.789 174.900 -0.070 0.000 0.991 27 G CA -0.348 44.685 45.100 -0.110 0.000 0.653 27 G HN 0.397 nan 8.290 nan 0.000 0.518 28 L N 0.661 121.857 121.223 -0.045 0.000 2.399 28 L HA 0.457 4.797 4.340 -0.000 0.000 0.265 28 L C 0.201 177.088 176.870 0.028 0.000 1.089 28 L CA -1.117 53.722 54.840 -0.002 0.000 0.802 28 L CB 0.683 42.748 42.059 0.010 0.000 1.180 28 L HN 0.001 nan 8.230 nan 0.000 0.454 29 N N 1.902 120.629 118.700 0.044 0.000 2.408 29 N HA 0.281 5.021 4.740 -0.000 0.000 0.257 29 N C -0.730 174.823 175.510 0.072 0.000 1.064 29 N CA -0.093 52.997 53.050 0.067 0.000 0.952 29 N CB 1.581 40.102 38.487 0.057 0.000 1.093 29 N HN 0.347 nan 8.380 nan 0.000 0.490 30 V N 0.065 120.029 119.914 0.084 0.000 2.715 30 V HA 0.730 4.850 4.120 -0.000 0.000 0.310 30 V C -0.038 176.075 176.094 0.032 0.000 1.054 30 V CA -0.769 61.565 62.300 0.056 0.000 0.928 30 V CB 1.975 33.829 31.823 0.052 0.000 1.007 30 V HN 0.158 nan 8.190 nan 0.000 0.437 31 V N 3.486 123.401 119.914 0.002 0.000 2.656 31 V HA 0.557 4.677 4.120 -0.000 0.000 0.307 31 V C -0.400 175.639 176.094 -0.092 0.000 1.051 31 V CA -0.531 61.742 62.300 -0.046 0.000 0.893 31 V CB 2.150 33.939 31.823 -0.057 0.000 0.999 31 V HN 0.832 nan 8.190 nan 0.000 0.426 32 V N 6.049 125.900 119.914 -0.105 0.000 2.370 32 V HA 0.465 4.585 4.120 -0.000 0.000 0.283 32 V C -0.261 175.739 176.094 -0.156 0.000 1.023 32 V CA -0.455 61.781 62.300 -0.106 0.000 0.857 32 V CB 1.518 33.299 31.823 -0.070 0.000 0.985 32 V HN 0.615 nan 8.190 nan 0.000 0.443 33 L N 4.541 125.656 121.223 -0.179 0.000 2.265 33 L HA 0.614 4.954 4.340 -0.000 0.000 0.289 33 L C -0.168 176.623 176.870 -0.132 0.000 1.033 33 L CA -0.343 54.377 54.840 -0.200 0.000 0.814 33 L CB 1.368 43.269 42.059 -0.262 0.000 1.203 33 L HN 0.602 nan 8.230 nan 0.000 0.423 34 E N 2.306 122.432 120.200 -0.123 0.000 2.176 34 E HA 0.490 4.840 4.350 -0.000 0.000 0.267 34 E C 0.309 176.807 176.600 -0.170 0.000 0.893 34 E CA -0.335 55.995 56.400 -0.118 0.000 0.761 34 E CB 2.066 31.719 29.700 -0.079 0.000 1.133 34 E HN 0.550 nan 8.360 nan 0.000 0.409 35 A N 5.382 128.037 122.820 -0.276 0.000 1.933 35 A HA -0.028 4.292 4.320 -0.000 0.000 0.218 35 A C 1.110 178.470 177.584 -0.374 0.000 1.175 35 A CA 0.998 52.739 52.037 -0.493 0.000 0.628 35 A CB -0.171 18.136 19.000 -1.155 0.000 0.814 35 A HN 0.596 nan 8.150 nan 0.000 0.444 36 R N -0.131 120.225 120.500 -0.239 0.000 2.580 36 R HA 0.242 4.582 4.340 -0.000 0.000 0.267 36 R C 0.145 176.407 176.300 -0.064 0.000 1.125 36 R CA 0.163 56.200 56.100 -0.106 0.000 1.188 36 R CB 0.175 30.452 30.300 -0.039 0.000 1.155 36 R HN 0.456 nan 8.270 nan 0.000 0.586 37 D N 0.343 120.724 120.400 -0.031 0.000 2.325 37 D HA -0.023 4.617 4.640 -0.000 0.000 0.234 37 D C -0.159 176.142 176.300 0.002 0.000 1.122 37 D CA 0.053 54.043 54.000 -0.015 0.000 0.850 37 D CB -0.049 40.747 40.800 -0.007 0.000 0.921 37 D HN 0.428 nan 8.370 nan 0.000 0.513 38 R N -1.331 119.173 120.500 0.007 0.000 2.734 38 R HA 0.591 4.931 4.340 -0.000 0.000 0.271 38 R C -0.697 175.624 176.300 0.036 0.000 1.021 38 R CA -1.127 54.995 56.100 0.037 0.000 0.893 38 R CB 1.151 31.500 30.300 0.082 0.000 1.244 38 R HN -0.105 nan 8.270 nan 0.000 0.464 39 V N -1.573 118.370 119.914 0.049 0.000 3.234 39 V HA 0.871 4.991 4.120 -0.000 0.000 0.317 39 V C 0.929 177.078 176.094 0.093 0.000 1.081 39 V CA 0.394 62.722 62.300 0.047 0.000 1.037 39 V CB 0.792 32.628 31.823 0.022 0.000 1.148 39 V HN 1.200 nan 8.190 nan 0.000 0.453 40 G N -0.844 108.010 108.800 0.089 0.000 2.391 40 G HA2 0.144 4.104 3.960 -0.000 0.000 0.204 40 G HA3 0.144 4.104 3.960 -0.000 0.000 0.204 40 G C 1.587 176.575 174.900 0.147 0.000 1.012 40 G CA 0.753 45.926 45.100 0.123 0.000 0.651 40 G HN 2.577 nan 8.290 nan 0.000 0.494 41 G N 0.633 109.530 108.800 0.162 0.000 2.646 41 G HA2 -0.425 3.535 3.960 -0.000 0.000 0.324 41 G HA3 -0.425 3.535 3.960 -0.000 0.000 0.324 41 G C 0.994 176.050 174.900 0.260 0.000 1.195 41 G CA 1.570 46.782 45.100 0.187 0.000 0.976 41 G HN 1.170 nan 8.290 nan 0.000 0.546 42 R N 1.839 122.404 120.500 0.108 0.000 2.323 42 R HA 0.220 4.560 4.340 -0.000 0.000 0.198 42 R C 1.033 177.240 176.300 -0.156 0.000 0.988 42 R CA 1.037 57.035 56.100 -0.170 0.000 1.041 42 R CB -0.132 30.030 30.300 -0.229 0.000 0.926 42 R HN 0.701 nan 8.270 nan 0.000 0.476 43 T N -2.386 112.224 114.554 0.092 0.000 2.829 43 T HA 0.360 4.710 4.350 -0.000 0.000 0.282 43 T C -0.943 173.983 174.700 0.376 0.000 0.990 43 T CA -0.629 61.573 62.100 0.171 0.000 1.028 43 T CB 1.550 70.484 68.868 0.111 0.000 0.951 43 T HN 0.106 nan 8.240 nan 0.000 0.460 44 Y N 1.276 121.726 120.300 0.250 0.000 2.323 44 Y HA 0.428 4.978 4.550 -0.000 0.000 0.322 44 Y C -1.115 174.896 175.900 0.186 0.000 1.133 44 Y CA -0.764 57.479 58.100 0.239 0.000 1.093 44 Y CB 1.615 40.272 38.460 0.328 0.000 1.203 44 Y HN 0.869 nan 8.280 nan 0.000 0.427 45 T N 7.813 122.185 114.554 -0.303 0.000 2.743 45 T HA 0.402 4.752 4.350 -0.000 0.000 0.292 45 T C -0.767 173.593 174.700 -0.567 0.000 0.972 45 T CA -0.363 61.559 62.100 -0.295 0.000 0.967 45 T CB 0.483 69.291 68.868 -0.101 0.000 0.926 45 T HN 0.589 nan 8.240 nan 0.000 0.459 46 L N 4.561 125.493 121.223 -0.484 0.000 2.326 46 L HA 0.597 4.937 4.340 -0.000 0.000 0.278 46 L C -0.111 176.691 176.870 -0.113 0.000 1.092 46 L CA -0.073 54.564 54.840 -0.338 0.000 0.810 46 L CB 0.543 42.501 42.059 -0.168 0.000 1.153 46 L HN 0.507 nan 8.230 nan 0.000 0.439 47 R N 3.549 124.005 120.500 -0.073 0.000 2.513 47 R HA 0.588 4.928 4.340 -0.000 0.000 0.301 47 R C -1.239 175.043 176.300 -0.030 0.000 0.968 47 R CA -0.622 55.460 56.100 -0.029 0.000 0.872 47 R CB 1.360 31.652 30.300 -0.014 0.000 1.177 47 R HN 0.920 nan 8.270 nan 0.000 0.444 48 N N -0.882 117.786 118.700 -0.053 0.000 3.020 48 N HA -0.007 4.733 4.740 -0.000 0.000 0.248 48 N C -0.124 175.330 175.510 -0.092 0.000 1.480 48 N CA -0.948 52.066 53.050 -0.060 0.000 0.874 48 N CB 0.809 39.264 38.487 -0.053 0.000 1.433 48 N HN 0.321 nan 8.380 nan 0.000 0.530 49 Q N -0.408 119.344 119.800 -0.080 0.000 2.167 49 Q HA -0.035 4.305 4.340 -0.000 0.000 0.202 49 Q C 0.520 176.478 176.000 -0.071 0.000 0.970 49 Q CA 1.219 56.989 55.803 -0.056 0.000 0.855 49 Q CB 0.067 28.782 28.738 -0.038 0.000 0.911 49 Q HN 0.505 nan 8.270 nan 0.000 0.438 50 K N 0.005 120.278 120.400 -0.212 0.000 2.103 50 K HA -0.074 4.246 4.320 -0.000 0.000 0.204 50 K C 2.007 178.434 176.600 -0.287 0.000 1.052 50 K CA 1.388 57.464 56.287 -0.352 0.000 0.945 50 K CB 0.014 31.975 32.500 -0.898 0.000 0.722 50 K HN 0.318 nan 8.250 nan 0.000 0.443 51 V N -2.678 117.024 119.914 -0.354 0.000 3.645 51 V HA 0.215 4.335 4.120 -0.000 0.000 0.275 51 V C 1.436 177.163 176.094 -0.611 0.000 1.356 51 V CA 0.695 62.741 62.300 -0.423 0.000 1.051 51 V CB 0.173 31.782 31.823 -0.356 0.000 0.828 51 V HN 0.283 nan 8.190 nan 0.000 0.441 52 K N 0.573 120.682 120.400 -0.485 0.000 10.883 52 K HA -0.308 4.012 4.320 -0.000 0.000 0.526 52 K C 0.145 176.658 176.600 -0.146 0.000 0.382 52 K CA 2.529 58.577 56.287 -0.399 0.000 1.943 52 K CB -1.475 30.588 32.500 -0.728 0.000 0.766 52 K HN 0.970 nan 8.250 nan 0.000 1.214 53 Y N -1.883 118.277 120.300 -0.233 0.000 2.544 53 Y HA 0.728 5.278 4.550 -0.000 0.000 0.342 53 Y C -1.253 174.612 175.900 -0.059 0.000 1.062 53 Y CA -0.728 57.295 58.100 -0.127 0.000 1.023 53 Y CB 2.050 40.452 38.460 -0.097 0.000 1.308 53 Y HN 0.027 nan 8.280 nan 0.000 0.457 54 V N 2.440 122.412 119.914 0.097 0.000 2.851 54 V HA 0.385 4.505 4.120 -0.000 0.000 0.307 54 V C -1.603 174.552 176.094 0.101 0.000 1.129 54 V CA -0.613 61.745 62.300 0.096 0.000 0.932 54 V CB 1.998 33.900 31.823 0.132 0.000 1.024 54 V HN 0.928 nan 8.190 nan 0.000 0.426 55 D N 5.341 125.809 120.400 0.113 0.000 2.343 55 D HA 0.326 4.966 4.640 -0.000 0.000 0.255 55 D C 0.757 177.139 176.300 0.137 0.000 1.187 55 D CA 0.214 54.271 54.000 0.094 0.000 0.875 55 D CB 1.924 42.750 40.800 0.043 0.000 1.136 55 D HN 0.521 nan 8.370 nan 0.000 0.469 56 L N 1.442 122.806 121.223 0.236 0.000 2.590 56 L HA 0.242 4.582 4.340 -0.000 0.000 0.227 56 L C 1.469 178.723 176.870 0.641 0.000 1.099 56 L CA 0.017 55.093 54.840 0.393 0.000 0.872 56 L CB 0.461 42.777 42.059 0.427 0.000 1.088 56 L HN 0.346 nan 8.230 nan 0.000 0.479 57 G N -0.748 108.346 108.800 0.491 0.000 3.286 57 G HA2 0.420 4.380 3.960 -0.000 0.000 0.166 57 G HA3 0.420 4.380 3.960 -0.000 0.000 0.166 57 G C -0.150 174.768 174.900 0.031 0.000 1.155 57 G CA -0.032 45.180 45.100 0.187 0.000 0.871 57 G HN 0.070 nan 8.290 nan 0.000 0.637 58 G N -0.700 108.051 108.800 -0.082 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 0.516 175.387 174.900 -0.048 0.000 1.282 58 G CA 0.979 46.033 45.100 -0.076 0.000 0.886 58 G HN 0.891 nan 8.290 nan 0.000 0.528 59 S N 1.226 116.846 115.700 -0.133 0.000 3.364 59 S HA 0.178 4.648 4.470 -0.000 0.000 0.257 59 S C 0.035 174.403 174.600 -0.387 0.000 1.098 59 S CA -0.322 57.705 58.200 -0.289 0.000 0.888 59 S CB -0.078 62.800 63.200 -0.535 0.000 0.925 59 S HN 0.490 nan 8.310 nan 0.000 0.442 60 Y N 2.916 123.166 120.300 -0.083 0.000 2.309 60 Y HA 0.543 5.093 4.550 -0.000 0.000 0.327 60 Y C 0.277 176.043 175.900 -0.223 0.000 1.172 60 Y CA -0.374 57.632 58.100 -0.157 0.000 1.280 60 Y CB 1.229 39.639 38.460 -0.083 0.000 1.234 60 Y HN 0.147 nan 8.280 nan 0.000 0.512 61 V N -0.233 119.563 119.914 -0.196 0.000 3.040 61 V HA 1.099 5.219 4.120 -0.000 0.000 0.312 61 V C -0.337 175.573 176.094 -0.308 0.000 1.115 61 V CA -0.561 61.546 62.300 -0.322 0.000 0.998 61 V CB 1.688 33.238 31.823 -0.456 0.000 1.042 61 V HN 0.933 nan 8.190 nan 0.000 0.433 62 G N 0.527 109.104 108.800 -0.372 0.000 2.645 62 G HA2 0.740 4.700 3.960 -0.000 0.000 0.292 62 G HA3 0.740 4.700 3.960 -0.000 0.000 0.292 62 G C -3.416 171.328 174.900 -0.259 0.000 1.415 62 G CA -1.285 43.645 45.100 -0.284 0.000 0.785 62 G HN 0.717 nan 8.290 nan 0.000 0.483 63 P HA 0.106 nan 4.420 nan 0.000 0.265 63 P C 0.766 178.050 177.300 -0.027 0.000 1.187 63 P CA 1.892 64.950 63.100 -0.070 0.000 0.766 63 P CB 0.851 32.537 31.700 -0.024 0.000 0.820 64 T N -1.456 113.112 114.554 0.023 0.000 6.424 64 T HA -0.249 4.101 4.350 -0.000 0.000 0.279 64 T C 0.290 175.032 174.700 0.070 0.000 2.176 64 T CA 0.954 63.143 62.100 0.148 0.000 3.628 64 T CB -2.719 66.352 68.868 0.338 0.000 1.165 64 T HN 0.581 nan 8.240 nan 0.000 1.080 65 Q N 1.327 120.994 119.800 -0.222 0.000 3.207 65 Q HA 0.361 4.701 4.340 -0.000 0.000 0.335 65 Q C 0.945 176.862 176.000 -0.137 0.000 1.374 65 Q CA -0.461 55.120 55.803 -0.371 0.000 1.023 65 Q CB 0.153 28.481 28.738 -0.683 0.000 1.576 65 Q HN 0.493 nan 8.270 nan 0.000 0.515 66 N N 0.774 119.464 118.700 -0.017 0.000 2.331 66 N HA -0.081 4.659 4.740 -0.000 0.000 0.180 66 N C 1.230 176.757 175.510 0.028 0.000 1.019 66 N CA 0.864 53.924 53.050 0.018 0.000 0.881 66 N CB 0.250 38.769 38.487 0.053 0.000 0.972 66 N HN 0.374 nan 8.380 nan 0.000 0.435 67 R N 0.398 120.920 120.500 0.036 0.000 2.062 67 R HA 0.033 4.373 4.340 -0.000 0.000 0.229 67 R C 2.057 178.379 176.300 0.036 0.000 1.128 67 R CA 0.635 56.761 56.100 0.044 0.000 0.960 67 R CB -0.306 30.033 30.300 0.065 0.000 0.855 67 R HN 0.083 nan 8.270 nan 0.000 0.432 68 I N 1.175 121.763 120.570 0.029 0.000 2.315 68 I HA -0.202 3.968 4.170 -0.000 0.000 0.248 68 I C 1.774 177.962 176.117 0.119 0.000 1.117 68 I CA 1.417 62.757 61.300 0.068 0.000 1.404 68 I CB -0.047 38.000 38.000 0.080 0.000 1.071 68 I HN 0.100 nan 8.210 nan 0.000 0.419 69 L N 0.120 121.398 121.223 0.092 0.000 2.046 69 L HA -0.178 4.162 4.340 -0.000 0.000 0.208 69 L C 2.752 179.670 176.870 0.079 0.000 1.077 69 L CA 1.336 56.245 54.840 0.116 0.000 0.747 69 L CB -0.858 41.226 42.059 0.042 0.000 0.896 69 L HN 0.254 nan 8.230 nan 0.000 0.432 70 R N 0.752 121.280 120.500 0.045 0.000 2.066 70 R HA -0.183 4.157 4.340 -0.000 0.000 0.232 70 R C 2.331 178.639 176.300 0.014 0.000 1.131 70 R CA 1.665 57.783 56.100 0.029 0.000 0.955 70 R CB -0.596 29.720 30.300 0.026 0.000 0.851 70 R HN 0.249 nan 8.270 nan 0.000 0.432 71 L N 1.177 122.405 121.223 0.009 0.000 2.012 71 L HA -0.086 4.254 4.340 -0.000 0.000 0.210 71 L C 2.411 179.246 176.870 -0.057 0.000 1.073 71 L CA 2.345 57.175 54.840 -0.018 0.000 0.748 71 L CB -0.798 41.252 42.059 -0.016 0.000 0.891 71 L HN 0.244 nan 8.230 nan 0.000 0.431 72 A N -0.661 122.112 122.820 -0.079 0.000 1.902 72 A HA -0.257 4.063 4.320 -0.000 0.000 0.217 72 A C 2.468 179.989 177.584 -0.105 0.000 1.181 72 A CA 1.963 53.881 52.037 -0.198 0.000 0.623 72 A CB -0.658 18.122 19.000 -0.366 0.000 0.818 72 A HN 0.512 nan 8.150 nan 0.000 0.443 73 K N -0.355 120.035 120.400 -0.016 0.000 2.032 73 K HA -0.219 4.101 4.320 -0.000 0.000 0.209 73 K C 2.082 178.673 176.600 -0.016 0.000 1.048 73 K CA 1.738 58.026 56.287 0.003 0.000 0.927 73 K CB -0.206 32.310 32.500 0.027 0.000 0.712 73 K HN 0.618 nan 8.250 nan 0.000 0.441 74 E N 0.440 120.629 120.200 -0.018 0.000 2.160 74 E HA -0.182 4.168 4.350 -0.000 0.000 0.195 74 E C 1.660 178.240 176.600 -0.032 0.000 0.991 74 E CA 0.979 57.368 56.400 -0.019 0.000 0.810 74 E CB 0.010 29.702 29.700 -0.014 0.000 0.742 74 E HN 0.352 nan 8.360 nan 0.000 0.466 75 L N -0.799 120.391 121.223 -0.056 0.000 2.599 75 L HA 0.150 4.490 4.340 -0.000 0.000 0.230 75 L C 1.350 178.178 176.870 -0.070 0.000 1.141 75 L CA 0.445 55.243 54.840 -0.071 0.000 0.877 75 L CB 0.228 42.224 42.059 -0.105 0.000 1.009 75 L HN 0.344 nan 8.230 nan 0.000 0.447 76 G N 0.209 108.977 108.800 -0.055 0.000 2.131 76 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.223 76 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.223 76 G C 0.061 174.934 174.900 -0.046 0.000 0.990 76 G CA -0.337 44.739 45.100 -0.041 0.000 0.671 76 G HN 0.194 nan 8.290 nan 0.000 0.521 77 L N -0.280 120.901 121.223 -0.069 0.000 2.399 77 L HA 0.773 5.113 4.340 -0.000 0.000 0.265 77 L C 0.574 177.472 176.870 0.047 0.000 1.089 77 L CA -0.728 54.074 54.840 -0.063 0.000 0.802 77 L CB 1.247 43.163 42.059 -0.237 0.000 1.180 77 L HN 0.187 nan 8.230 nan 0.000 0.454 78 E N -0.230 120.043 120.200 0.122 0.000 2.343 78 E HA 0.448 4.798 4.350 -0.000 0.000 0.270 78 E C -1.015 175.743 176.600 0.262 0.000 0.895 78 E CA -0.682 55.817 56.400 0.166 0.000 0.767 78 E CB 2.549 32.317 29.700 0.114 0.000 1.248 78 E HN 0.667 nan 8.360 nan 0.000 0.440 79 T N -1.248 113.414 114.554 0.180 0.000 2.952 79 T HA 0.652 5.002 4.350 -0.000 0.000 0.286 79 T C -0.808 173.975 174.700 0.139 0.000 1.024 79 T CA -0.667 61.476 62.100 0.072 0.000 1.029 79 T CB 0.729 69.525 68.868 -0.121 0.000 1.094 79 T HN 0.514 nan 8.240 nan 0.000 0.515 80 Y N -1.384 118.919 120.300 0.006 0.000 2.581 80 Y HA 0.741 5.291 4.550 0.000 0.000 0.345 80 Y C -0.811 175.094 175.900 0.009 0.000 1.036 80 Y CA -1.545 56.568 58.100 0.021 0.000 1.042 80 Y CB 1.371 39.863 38.460 0.053 0.000 1.289 80 Y HN 0.645 nan 8.280 nan 0.000 0.471 81 K N 2.245 122.731 120.400 0.144 0.000 2.258 81 K HA 0.442 4.762 4.320 -0.000 0.000 0.284 81 K C -0.851 175.814 176.600 0.108 0.000 1.051 81 K CA -0.758 55.555 56.287 0.043 0.000 0.923 81 K CB 1.553 34.090 32.500 0.062 0.000 1.046 81 K HN 0.583 nan 8.250 nan 0.000 0.474 82 V N 3.376 123.293 119.914 0.006 0.000 2.673 82 V HA -0.111 4.009 4.120 -0.000 0.000 0.303 82 V C 0.567 176.709 176.094 0.080 0.000 1.046 82 V CA -0.141 62.205 62.300 0.076 0.000 1.126 82 V CB 0.260 32.105 31.823 0.036 0.000 0.934 82 V HN 0.732 nan 8.190 nan 0.000 0.487 83 N N 4.029 122.797 118.700 0.114 0.000 2.434 83 N HA 0.000 4.740 4.740 -0.000 0.000 0.268 83 N C 0.298 175.830 175.510 0.037 0.000 1.256 83 N CA 0.560 53.663 53.050 0.089 0.000 0.914 83 N CB 0.234 38.797 38.487 0.126 0.000 1.088 83 N HN 0.813 nan 8.380 nan 0.000 0.478 84 E N 2.878 123.090 120.200 0.020 0.000 3.191 84 E HA 0.101 4.451 4.350 -0.000 0.000 0.192 84 E C 0.414 177.012 176.600 -0.004 0.000 0.972 84 E CA -0.047 56.347 56.400 -0.010 0.000 1.266 84 E CB 0.322 30.003 29.700 -0.031 0.000 1.076 84 E HN 0.452 nan 8.360 nan 0.000 0.462 85 V N 0.469 120.392 119.914 0.015 0.000 2.307 85 V HA -0.169 3.951 4.120 -0.000 0.000 0.245 85 V C 0.962 177.060 176.094 0.007 0.000 1.045 85 V CA 1.596 63.903 62.300 0.012 0.000 1.024 85 V CB -0.164 31.669 31.823 0.016 0.000 0.651 85 V HN 0.235 nan 8.190 nan 0.000 0.449 86 E N -0.704 119.506 120.200 0.017 0.000 2.790 86 E HA 0.411 4.761 4.350 -0.000 0.000 0.256 86 E C 0.182 176.787 176.600 0.009 0.000 1.246 86 E CA -0.671 55.742 56.400 0.022 0.000 1.041 86 E CB 0.265 29.992 29.700 0.045 0.000 1.272 86 E HN 0.303 nan 8.360 nan 0.000 0.603 87 R N 0.249 120.774 120.500 0.042 0.000 2.490 87 R HA 0.277 4.617 4.340 -0.000 0.000 0.280 87 R C -0.471 175.781 176.300 -0.081 0.000 1.077 87 R CA -0.545 55.554 56.100 -0.001 0.000 1.065 87 R CB 0.108 30.471 30.300 0.105 0.000 1.003 87 R HN 0.180 nan 8.270 nan 0.000 0.470 88 L N 2.608 123.603 121.223 -0.381 0.000 2.456 88 L HA 0.358 4.698 4.340 -0.000 0.000 0.257 88 L C 0.220 176.841 176.870 -0.415 0.000 1.162 88 L CA 0.221 54.728 54.840 -0.555 0.000 0.808 88 L CB 0.410 41.833 42.059 -1.060 0.000 1.136 88 L HN 0.466 nan 8.230 nan 0.000 0.466 89 I N 0.136 120.606 120.570 -0.168 0.000 2.498 89 I HA 0.267 4.437 4.170 -0.000 0.000 0.290 89 I C -0.597 175.796 176.117 0.460 0.000 1.032 89 I CA -0.454 60.911 61.300 0.109 0.000 1.073 89 I CB 1.521 39.447 38.000 -0.124 0.000 1.251 89 I HN 0.540 nan 8.210 nan 0.000 0.426 90 H N 5.438 124.824 119.070 0.526 0.000 2.581 90 H HA 0.311 4.867 4.556 -0.000 0.000 0.308 90 H C -1.257 174.306 175.328 0.392 0.000 1.040 90 H CA -0.722 55.580 56.048 0.423 0.000 1.231 90 H CB 0.829 30.759 29.762 0.278 0.000 1.396 90 H HN 0.615 nan 8.280 nan 0.000 0.467 91 H N 4.515 123.722 119.070 0.229 0.000 2.556 91 H HA 0.397 4.953 4.556 -0.000 0.000 0.310 91 H C -1.427 173.909 175.328 0.014 0.000 1.057 91 H CA -0.404 55.706 56.048 0.102 0.000 1.264 91 H CB 0.797 30.617 29.762 0.096 0.000 1.404 91 H HN 0.336 nan 8.280 nan 0.000 0.462 92 V N 5.974 125.739 119.914 -0.249 0.000 2.808 92 V HA 0.250 4.370 4.120 -0.000 0.000 0.308 92 V C -0.730 175.296 176.094 -0.113 0.000 1.099 92 V CA -0.898 61.304 62.300 -0.163 0.000 0.920 92 V CB 1.524 33.171 31.823 -0.293 0.000 1.014 92 V HN 1.017 nan 8.190 nan 0.000 0.425 93 K N 4.612 124.983 120.400 -0.048 0.000 3.077 93 K HA -0.208 4.112 4.320 -0.000 0.000 0.264 93 K C 0.882 177.443 176.600 -0.064 0.000 1.008 93 K CA 0.957 57.233 56.287 -0.018 0.000 0.740 93 K CB -1.679 30.829 32.500 0.014 0.000 1.273 93 K HN 1.987 nan 8.250 nan 0.000 0.477 94 G N 0.009 108.729 108.800 -0.133 0.000 2.160 94 G HA2 -0.353 3.607 3.960 -0.000 0.000 0.251 94 G HA3 -0.353 3.607 3.960 -0.000 0.000 0.251 94 G C -0.094 174.648 174.900 -0.263 0.000 1.008 94 G CA 1.033 46.085 45.100 -0.080 0.000 0.724 94 G HN 0.440 nan 8.290 nan 0.000 0.514 95 K N -0.162 119.877 120.400 -0.601 0.000 2.464 95 K HA 0.609 4.929 4.320 -0.000 0.000 0.253 95 K C -0.534 175.721 176.600 -0.574 0.000 0.933 95 K CA -0.534 55.478 56.287 -0.458 0.000 0.801 95 K CB 1.413 33.714 32.500 -0.332 0.000 1.271 95 K HN 0.051 nan 8.250 nan 0.000 0.430 96 S N 2.376 117.872 115.700 -0.340 0.000 2.457 96 S HA 0.401 4.871 4.470 -0.000 0.000 0.289 96 S C -1.424 172.991 174.600 -0.310 0.000 1.163 96 S CA -0.401 57.728 58.200 -0.118 0.000 1.078 96 S CB 0.275 63.514 63.200 0.065 0.000 0.987 96 S HN 0.386 nan 8.310 nan 0.000 0.482 97 Y N 2.789 123.171 120.300 0.137 0.000 2.447 97 Y HA 0.360 4.910 4.550 -0.000 0.000 0.325 97 Y C -2.503 173.596 175.900 0.332 0.000 0.976 97 Y CA -2.503 55.720 58.100 0.205 0.000 1.280 97 Y CB 0.761 39.330 38.460 0.181 0.000 1.104 97 Y HN 0.450 nan 8.280 nan 0.000 0.486 98 P HA 0.248 nan 4.420 nan 0.000 0.275 98 P C -0.845 176.736 177.300 0.468 0.000 1.228 98 P CA -0.036 63.285 63.100 0.368 0.000 0.786 98 P CB 0.590 32.501 31.700 0.351 0.000 0.927 99 F N -0.757 119.312 119.950 0.198 0.000 2.711 99 F HA 0.703 5.230 4.527 0.000 0.000 0.313 99 F C -1.078 174.796 175.800 0.125 0.000 1.141 99 F CA -1.348 56.752 58.000 0.168 0.000 0.941 99 F CB 1.494 40.594 39.000 0.166 0.000 1.349 99 F HN 0.021 nan 8.300 nan 0.000 0.464 100 R N 0.941 121.576 120.500 0.225 0.000 2.803 100 R HA 0.767 5.107 4.340 -0.000 0.000 0.276 100 R C -0.317 176.117 176.300 0.223 0.000 0.978 100 R CA -0.639 55.513 56.100 0.086 0.000 0.939 100 R CB 1.771 32.124 30.300 0.088 0.000 1.179 100 R HN 1.437 nan 8.270 nan 0.000 0.472 101 G N 1.818 110.688 108.800 0.115 0.000 2.655 101 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.680 101 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.680 101 G C -2.314 172.683 174.900 0.161 0.000 1.302 101 G CA -0.994 44.194 45.100 0.145 0.000 0.872 101 G HN 0.442 nan 8.290 nan 0.000 0.540 102 P HA 0.211 nan 4.420 nan 0.000 0.220 102 P C 0.428 177.532 177.300 -0.326 0.000 1.152 102 P CA 0.953 63.919 63.100 -0.222 0.000 0.812 102 P CB 0.116 31.507 31.700 -0.516 0.000 0.792 103 F N 0.103 120.063 119.950 0.016 0.000 2.458 103 F HA 0.417 4.944 4.527 -0.000 0.000 0.336 103 F C -2.185 173.383 175.800 -0.387 0.000 1.114 103 F CA -3.082 54.807 58.000 -0.186 0.000 0.987 103 F CB 0.767 39.596 39.000 -0.285 0.000 1.130 103 F HN -0.320 nan 8.300 nan 0.000 0.458 104 P HA 0.124 nan 4.420 nan 0.000 0.271 104 P C -2.406 174.590 177.300 -0.507 0.000 1.233 104 P CA -0.939 61.447 63.100 -1.189 0.000 0.764 104 P CB -0.126 30.991 31.700 -0.972 0.000 0.825 105 P HA 0.090 nan 4.420 nan 0.000 0.272 105 P C -0.856 176.264 177.300 -0.300 0.000 1.223 105 P CA 0.105 63.030 63.100 -0.291 0.000 0.784 105 P CB 0.645 32.191 31.700 -0.256 0.000 0.923 106 V N 1.701 121.414 119.914 -0.335 0.000 2.588 106 V HA 0.247 4.367 4.120 -0.000 0.000 0.304 106 V C 0.238 176.174 176.094 -0.262 0.000 1.042 106 V CA -0.226 61.920 62.300 -0.257 0.000 0.877 106 V CB 1.820 33.458 31.823 -0.309 0.000 0.996 106 V HN 0.705 nan 8.190 nan 0.000 0.425 107 W N 0.698 121.978 121.300 -0.034 0.000 2.699 107 W HA 0.208 4.868 4.660 -0.000 0.000 0.267 107 W C 1.386 177.892 176.519 -0.023 0.000 1.182 107 W CA -0.070 57.254 57.345 -0.034 0.000 1.453 107 W CB 0.304 29.739 29.460 -0.042 0.000 1.054 107 W HN 0.525 nan 8.180 nan 0.000 0.595 108 N N 2.167 120.994 118.700 0.213 0.000 2.411 108 N HA -0.058 4.682 4.740 -0.000 0.000 0.261 108 N C -1.828 173.760 175.510 0.130 0.000 1.248 108 N CA -0.224 52.910 53.050 0.140 0.000 0.885 108 N CB 1.349 39.899 38.487 0.105 0.000 1.062 108 N HN -0.118 nan 8.380 nan 0.000 0.471 109 P HA -0.073 nan 4.420 nan 0.000 0.217 109 P C 1.520 178.895 177.300 0.126 0.000 1.150 109 P CA 0.623 63.778 63.100 0.091 0.000 0.832 109 P CB 0.381 32.111 31.700 0.048 0.000 0.787 110 I N -0.615 120.015 120.570 0.100 0.000 2.233 110 I HA -0.146 4.024 4.170 -0.000 0.000 0.243 110 I C 1.948 178.134 176.117 0.116 0.000 1.093 110 I CA 1.812 63.164 61.300 0.087 0.000 1.380 110 I CB -1.964 36.079 38.000 0.072 0.000 1.067 110 I HN 0.009 nan 8.210 nan 0.000 0.413 111 T N 0.378 115.013 114.554 0.136 0.000 2.759 111 T HA -0.255 4.095 4.350 -0.000 0.000 0.269 111 T C 1.883 176.697 174.700 0.190 0.000 1.042 111 T CA 1.458 63.663 62.100 0.175 0.000 1.140 111 T CB -0.632 68.318 68.868 0.137 0.000 0.864 111 T HN 0.300 nan 8.240 nan 0.000 0.455 112 Y N 1.667 121.976 120.300 0.016 0.000 2.128 112 Y HA -0.108 4.442 4.550 -0.000 0.000 0.284 112 Y C 2.038 177.955 175.900 0.027 0.000 1.154 112 Y CA 1.188 59.273 58.100 -0.025 0.000 1.149 112 Y CB -0.420 37.996 38.460 -0.073 0.000 0.976 112 Y HN 0.115 nan 8.280 nan 0.000 0.505 113 L N -0.298 121.006 121.223 0.135 0.000 2.046 113 L HA -0.216 4.124 4.340 -0.000 0.000 0.208 113 L C 2.154 179.010 176.870 -0.023 0.000 1.077 113 L CA 1.738 56.599 54.840 0.035 0.000 0.747 113 L CB -0.604 41.481 42.059 0.044 0.000 0.896 113 L HN 0.208 nan 8.230 nan 0.000 0.432 114 D N -0.975 119.443 120.400 0.031 0.000 2.117 114 D HA -0.197 4.443 4.640 -0.000 0.000 0.197 114 D C 2.191 178.494 176.300 0.005 0.000 0.987 114 D CA 1.218 55.237 54.000 0.032 0.000 0.829 114 D CB 0.076 40.926 40.800 0.084 0.000 0.961 114 D HN 0.293 nan 8.370 nan 0.000 0.460 115 H N -0.240 118.782 119.070 -0.080 0.000 2.293 115 H HA -0.103 4.453 4.556 -0.000 0.000 0.300 115 H C 2.146 177.459 175.328 -0.025 0.000 1.082 115 H CA 1.202 57.216 56.048 -0.056 0.000 1.308 115 H CB -0.188 29.547 29.762 -0.045 0.000 1.375 115 H HN 0.273 nan 8.280 nan 0.000 0.495 116 N N 1.120 119.772 118.700 -0.079 0.000 2.061 116 N HA -0.188 4.552 4.740 -0.000 0.000 0.193 116 N C 1.813 177.279 175.510 -0.074 0.000 1.030 116 N CA 0.976 53.929 53.050 -0.162 0.000 0.856 116 N CB -0.222 38.044 38.487 -0.368 0.000 1.023 116 N HN 0.412 nan 8.380 nan 0.000 0.424 117 N N -0.111 118.545 118.700 -0.073 0.000 2.188 117 N HA -0.176 4.564 4.740 -0.000 0.000 0.184 117 N C 1.893 177.358 175.510 -0.075 0.000 1.018 117 N CA 0.699 53.706 53.050 -0.071 0.000 0.858 117 N CB -0.269 38.183 38.487 -0.058 0.000 0.989 117 N HN 0.236 nan 8.380 nan 0.000 0.426 118 F N 0.725 120.538 119.950 -0.229 0.000 2.075 118 F HA -0.121 4.406 4.527 -0.000 0.000 0.297 118 F C 1.769 177.370 175.800 -0.332 0.000 1.113 118 F CA 1.641 59.431 58.000 -0.350 0.000 1.218 118 F CB -0.892 37.758 39.000 -0.582 0.000 0.984 118 F HN 0.063 nan 8.300 nan 0.000 0.472 119 W N 0.642 121.707 121.300 -0.392 0.000 2.358 119 W HA -0.110 4.550 4.660 -0.000 0.000 0.303 119 W C 2.840 179.120 176.519 -0.397 0.000 1.208 119 W CA 1.478 58.534 57.345 -0.481 0.000 1.274 119 W CB -0.663 28.634 29.460 -0.270 0.000 1.138 119 W HN -0.063 nan 8.180 nan 0.000 0.515 120 R N 0.119 120.568 120.500 -0.085 0.000 2.083 120 R HA -0.157 4.183 4.340 -0.000 0.000 0.237 120 R C 1.948 178.149 176.300 -0.165 0.000 1.137 120 R CA 2.199 58.224 56.100 -0.126 0.000 0.951 120 R CB -0.698 29.525 30.300 -0.129 0.000 0.851 120 R HN 0.041 nan 8.270 nan 0.000 0.434 121 T N 1.254 115.683 114.554 -0.209 0.000 2.788 121 T HA -0.117 4.233 4.350 -0.000 0.000 0.268 121 T C 1.844 176.392 174.700 -0.254 0.000 1.044 121 T CA 1.397 63.375 62.100 -0.204 0.000 1.139 121 T CB -0.046 68.714 68.868 -0.180 0.000 0.867 121 T HN 0.198 nan 8.240 nan 0.000 0.454 122 M N 1.420 120.797 119.600 -0.371 0.000 2.080 122 M HA -0.120 4.360 4.480 -0.000 0.000 0.260 122 M C 1.883 178.068 176.300 -0.191 0.000 1.068 122 M CA 1.566 56.675 55.300 -0.318 0.000 1.109 122 M CB -0.935 31.422 32.600 -0.404 0.000 1.342 122 M HN 0.187 nan 8.290 nan 0.000 0.405 123 D N 0.506 120.811 120.400 -0.158 0.000 2.144 123 D HA -0.123 4.517 4.640 -0.000 0.000 0.200 123 D C 1.593 177.832 176.300 -0.101 0.000 0.978 123 D CA 1.053 54.982 54.000 -0.118 0.000 0.833 123 D CB -0.366 40.373 40.800 -0.101 0.000 0.961 123 D HN 0.275 nan 8.370 nan 0.000 0.470 124 D N 0.368 120.706 120.400 -0.103 0.000 2.106 124 D HA -0.140 4.500 4.640 -0.000 0.000 0.191 124 D C 2.194 178.480 176.300 -0.023 0.000 0.997 124 D CA 0.880 54.840 54.000 -0.066 0.000 0.834 124 D CB -0.270 40.489 40.800 -0.069 0.000 0.956 124 D HN 0.235 nan 8.370 nan 0.000 0.448 125 M N 0.071 119.631 119.600 -0.066 0.000 2.117 125 M HA -0.050 4.430 4.480 -0.000 0.000 0.262 125 M C 2.316 178.656 176.300 0.068 0.000 1.065 125 M CA 1.631 56.908 55.300 -0.038 0.000 1.114 125 M CB -0.398 31.942 32.600 -0.434 0.000 1.361 125 M HN 0.038 nan 8.290 nan 0.000 0.408 126 G N 0.014 108.796 108.800 -0.029 0.000 2.432 126 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.219 126 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.219 126 G C 1.618 176.515 174.900 -0.005 0.000 1.135 126 G CA 0.587 45.673 45.100 -0.023 0.000 0.767 126 G HN 0.393 nan 8.290 nan 0.000 0.550 127 R N 0.067 120.561 120.500 -0.010 0.000 2.241 127 R HA -0.004 4.336 4.340 -0.000 0.000 0.224 127 R C 1.659 177.964 176.300 0.008 0.000 1.101 127 R CA 0.838 56.927 56.100 -0.019 0.000 0.995 127 R CB 0.078 30.361 30.300 -0.028 0.000 0.870 127 R HN 0.262 nan 8.270 nan 0.000 0.463 128 E N 0.112 120.354 120.200 0.070 0.000 2.479 128 E HA 0.083 4.433 4.350 -0.000 0.000 0.193 128 E C -0.016 176.611 176.600 0.045 0.000 1.049 128 E CA 0.342 56.779 56.400 0.062 0.000 0.870 128 E CB 0.434 30.202 29.700 0.114 0.000 0.944 128 E HN 0.320 nan 8.360 nan 0.000 0.492 129 I N 2.723 123.333 120.570 0.068 0.000 2.354 129 I HA 0.208 4.378 4.170 -0.000 0.000 0.286 129 I C -2.419 173.698 176.117 -0.000 0.000 1.007 129 I CA -2.381 58.954 61.300 0.059 0.000 1.167 129 I CB 1.497 39.597 38.000 0.166 0.000 1.320 129 I HN -0.335 nan 8.210 nan 0.000 0.458 130 P HA 0.121 nan 4.420 nan 0.000 0.267 130 P C 0.490 177.757 177.300 -0.056 0.000 1.205 130 P CA 0.154 63.185 63.100 -0.116 0.000 0.765 130 P CB 0.943 32.519 31.700 -0.206 0.000 0.828 131 S N 2.111 117.793 115.700 -0.030 0.000 2.370 131 S HA -0.166 4.304 4.470 -0.000 0.000 0.226 131 S C 1.270 175.959 174.600 0.149 0.000 1.033 131 S CA 1.838 60.094 58.200 0.093 0.000 1.011 131 S CB -0.593 62.577 63.200 -0.051 0.000 0.852 131 S HN 0.679 nan 8.310 nan 0.000 0.457 132 D N 0.416 120.762 120.400 -0.090 0.000 2.340 132 D HA 0.265 4.905 4.640 -0.000 0.000 0.220 132 D C 0.251 176.322 176.300 -0.382 0.000 1.039 132 D CA 0.347 54.248 54.000 -0.165 0.000 0.866 132 D CB 0.083 40.722 40.800 -0.268 0.000 0.913 132 D HN 0.271 nan 8.370 nan 0.000 0.523 133 A N 1.130 123.567 122.820 -0.639 0.000 3.200 133 A HA 0.353 4.673 4.320 -0.000 0.000 0.274 133 A C -2.200 174.627 177.584 -1.261 0.000 1.220 133 A CA -0.780 50.399 52.037 -1.429 0.000 0.904 133 A CB 0.904 19.321 19.000 -0.971 0.000 1.415 133 A HN -0.110 nan 8.150 nan 0.000 0.630 134 P HA -0.165 nan 4.420 nan 0.000 0.220 134 P C 1.236 178.340 177.300 -0.326 0.000 1.148 134 P CA 1.432 64.232 63.100 -0.501 0.000 0.803 134 P CB -0.323 31.061 31.700 -0.527 0.000 0.782 135 W N 0.759 121.982 121.300 -0.128 0.000 2.721 135 W HA 0.119 4.779 4.660 -0.000 0.000 0.245 135 W C 1.313 177.784 176.519 -0.079 0.000 1.276 135 W CA 0.376 57.666 57.345 -0.093 0.000 1.342 135 W CB -1.377 28.023 29.460 -0.099 0.000 1.135 135 W HN -0.107 nan 8.180 nan 0.000 0.654 136 K N 0.731 120.951 120.400 -0.300 0.000 2.374 136 K HA 0.317 4.637 4.320 -0.000 0.000 0.196 136 K C 0.978 177.488 176.600 -0.151 0.000 1.023 136 K CA 0.149 56.332 56.287 -0.173 0.000 1.103 136 K CB 0.057 32.412 32.500 -0.242 0.000 0.848 136 K HN 0.088 nan 8.250 nan 0.000 0.528 137 A N 2.366 125.094 122.820 -0.154 0.000 2.540 137 A HA 0.066 4.386 4.320 -0.000 0.000 0.239 137 A C -1.647 175.813 177.584 -0.207 0.000 1.061 137 A CA -0.933 51.010 52.037 -0.157 0.000 0.758 137 A CB 0.066 18.994 19.000 -0.121 0.000 0.991 137 A HN -0.006 nan 8.150 nan 0.000 0.502 138 P HA -0.136 nan 4.420 nan 0.000 0.216 138 P C 0.512 177.624 177.300 -0.313 0.000 1.150 138 P CA 1.257 64.223 63.100 -0.224 0.000 0.843 138 P CB 0.028 31.610 31.700 -0.196 0.000 0.787 139 L N -2.144 118.739 121.223 -0.567 0.000 2.984 139 L HA 0.357 4.697 4.340 -0.000 0.000 0.246 139 L C 1.857 178.325 176.870 -0.671 0.000 1.268 139 L CA -0.318 54.085 54.840 -0.729 0.000 1.054 139 L CB -0.560 40.806 42.059 -1.155 0.000 1.393 139 L HN -0.104 nan 8.230 nan 0.000 0.532 140 A N 0.591 123.202 122.820 -0.348 0.000 1.873 140 A HA -0.223 4.097 4.320 -0.000 0.000 0.218 140 A C 2.208 179.782 177.584 -0.016 0.000 1.193 140 A CA 1.775 53.740 52.037 -0.119 0.000 0.629 140 A CB -0.184 18.799 19.000 -0.029 0.000 0.826 140 A HN 0.515 nan 8.150 nan 0.000 0.447 141 E N -0.906 119.272 120.200 -0.036 0.000 2.051 141 E HA -0.232 4.118 4.350 -0.000 0.000 0.192 141 E C 2.135 178.765 176.600 0.050 0.000 0.991 141 E CA 1.251 57.662 56.400 0.018 0.000 0.799 141 E CB -0.259 29.440 29.700 -0.003 0.000 0.748 141 E HN 0.833 nan 8.360 nan 0.000 0.449 142 E N 0.156 120.356 120.200 -0.001 0.000 2.058 142 E HA -0.208 4.142 4.350 -0.000 0.000 0.194 142 E C 1.765 178.525 176.600 0.266 0.000 0.997 142 E CA 1.308 57.755 56.400 0.079 0.000 0.801 142 E CB -0.025 29.679 29.700 0.007 0.000 0.746 142 E HN 0.282 nan 8.360 nan 0.000 0.450 143 W N 0.902 122.243 121.300 0.068 0.000 2.436 143 W HA -0.017 4.643 4.660 -0.000 0.000 0.284 143 W C 1.912 178.500 176.519 0.115 0.000 1.225 143 W CA 0.686 58.084 57.345 0.088 0.000 1.271 143 W CB -0.949 28.564 29.460 0.089 0.000 1.114 143 W HN 0.232 nan 8.180 nan 0.000 0.559 144 D N -0.274 120.321 120.400 0.324 0.000 2.277 144 D HA -0.118 4.522 4.640 -0.000 0.000 0.208 144 D C 1.213 177.635 176.300 0.204 0.000 0.962 144 D CA 0.917 55.071 54.000 0.256 0.000 0.865 144 D CB -0.205 40.719 40.800 0.207 0.000 0.939 144 D HN -0.116 nan 8.370 nan 0.000 0.510 145 N N -0.304 118.501 118.700 0.175 0.000 2.370 145 N HA 0.100 4.840 4.740 -0.000 0.000 0.198 145 N C -0.261 175.327 175.510 0.130 0.000 1.156 145 N CA 0.118 53.248 53.050 0.134 0.000 0.839 145 N CB 0.272 38.822 38.487 0.103 0.000 0.989 145 N HN 0.309 nan 8.380 nan 0.000 0.468 146 M N 0.328 120.022 119.600 0.156 0.000 2.395 146 M HA 0.208 4.688 4.480 -0.000 0.000 0.307 146 M C -0.294 176.084 176.300 0.130 0.000 1.091 146 M CA -0.580 54.799 55.300 0.131 0.000 0.919 146 M CB 1.874 34.563 32.600 0.148 0.000 1.662 146 M HN 0.010 nan 8.290 nan 0.000 0.440 147 T N 0.633 115.244 114.554 0.096 0.000 2.849 147 T HA 0.226 4.576 4.350 -0.000 0.000 0.284 147 T C 1.152 175.881 174.700 0.050 0.000 1.004 147 T CA -0.839 61.312 62.100 0.084 0.000 1.021 147 T CB 0.874 69.782 68.868 0.068 0.000 1.013 147 T HN 0.682 nan 8.240 nan 0.000 0.527 148 M N 0.387 119.997 119.600 0.016 0.000 2.213 148 M HA -0.021 4.459 4.480 -0.000 0.000 0.263 148 M C 2.151 178.410 176.300 -0.069 0.000 1.062 148 M CA 1.636 56.903 55.300 -0.055 0.000 1.105 148 M CB -1.425 31.053 32.600 -0.202 0.000 1.385 148 M HN 0.898 nan 8.290 nan 0.000 0.417 149 K N 0.709 121.078 120.400 -0.051 0.000 2.032 149 K HA -0.166 4.154 4.320 -0.000 0.000 0.209 149 K C 1.684 178.262 176.600 -0.036 0.000 1.048 149 K CA 1.747 58.010 56.287 -0.040 0.000 0.927 149 K CB -0.109 32.400 32.500 0.014 0.000 0.712 149 K HN 0.392 nan 8.250 nan 0.000 0.441 150 E N 0.129 120.322 120.200 -0.011 0.000 2.051 150 E HA -0.203 4.147 4.350 -0.000 0.000 0.192 150 E C 1.989 178.578 176.600 -0.019 0.000 0.991 150 E CA 1.269 57.663 56.400 -0.010 0.000 0.799 150 E CB -0.214 29.496 29.700 0.017 0.000 0.748 150 E HN 0.218 nan 8.360 nan 0.000 0.449 151 L N 1.135 122.349 121.223 -0.014 0.000 2.042 151 L HA -0.184 4.156 4.340 -0.000 0.000 0.210 151 L C 2.074 178.928 176.870 -0.026 0.000 1.076 151 L CA 1.565 56.391 54.840 -0.023 0.000 0.749 151 L CB -0.337 41.701 42.059 -0.035 0.000 0.893 151 L HN 0.136 nan 8.230 nan 0.000 0.432 152 L N -0.955 120.239 121.223 -0.049 0.000 2.046 152 L HA -0.207 4.133 4.340 -0.000 0.000 0.208 152 L C 2.234 179.034 176.870 -0.116 0.000 1.077 152 L CA 1.299 56.079 54.840 -0.100 0.000 0.747 152 L CB -0.898 41.062 42.059 -0.165 0.000 0.896 152 L HN 0.278 nan 8.230 nan 0.000 0.432 153 D N 0.210 120.548 120.400 -0.104 0.000 2.149 153 D HA -0.186 4.454 4.640 -0.000 0.000 0.198 153 D C 2.183 178.398 176.300 -0.143 0.000 0.990 153 D CA 1.245 55.170 54.000 -0.124 0.000 0.839 153 D CB 0.025 40.765 40.800 -0.100 0.000 0.948 153 D HN 0.211 nan 8.370 nan 0.000 0.460 154 K N -0.249 120.097 120.400 -0.090 0.000 2.062 154 K HA 0.053 4.373 4.320 -0.000 0.000 0.205 154 K C 2.173 178.763 176.600 -0.018 0.000 1.051 154 K CA 0.401 56.649 56.287 -0.065 0.000 0.941 154 K CB 0.092 32.585 32.500 -0.010 0.000 0.719 154 K HN 0.073 nan 8.250 nan 0.000 0.440 155 L N 0.054 121.287 121.223 0.016 0.000 2.202 155 L HA 0.009 4.349 4.340 -0.000 0.000 0.205 155 L C 0.368 177.340 176.870 0.170 0.000 1.083 155 L CA 0.044 54.952 54.840 0.113 0.000 0.790 155 L CB 0.430 42.556 42.059 0.111 0.000 0.942 155 L HN 0.140 nan 8.230 nan 0.000 0.452 156 C N -0.353 118.954 119.300 0.012 0.000 2.303 156 C HA 0.080 4.540 4.460 -0.000 0.000 0.341 156 C C 0.787 175.779 174.990 0.004 0.000 1.244 156 C CA -0.913 58.094 59.018 -0.018 0.000 1.765 156 C CB -0.806 26.808 27.740 -0.210 0.000 2.379 156 C HN 0.487 nan 8.230 nan 0.000 0.530 157 W N 1.827 123.079 121.300 -0.079 0.000 3.077 157 W HA 0.128 4.788 4.660 -0.000 0.000 0.266 157 W C 1.413 177.908 176.519 -0.040 0.000 1.300 157 W CA 0.141 57.458 57.345 -0.047 0.000 1.586 157 W CB -0.081 29.363 29.460 -0.026 0.000 1.103 157 W HN 0.682 nan 8.180 nan 0.000 0.652 158 T N -3.543 111.082 114.554 0.119 0.000 2.887 158 T HA 0.295 4.645 4.350 -0.000 0.000 0.288 158 T C 0.799 175.492 174.700 -0.011 0.000 1.021 158 T CA -0.632 61.507 62.100 0.064 0.000 1.000 158 T CB 2.577 71.505 68.868 0.099 0.000 1.034 158 T HN -0.222 nan 8.240 nan 0.000 0.467 159 E N 0.976 121.173 120.200 -0.005 0.000 2.150 159 E HA -0.099 4.251 4.350 -0.000 0.000 0.193 159 E C 2.113 178.703 176.600 -0.016 0.000 0.985 159 E CA 1.118 57.503 56.400 -0.026 0.000 0.814 159 E CB -0.284 29.411 29.700 -0.009 0.000 0.752 159 E HN 0.736 nan 8.360 nan 0.000 0.466 160 S N 0.576 116.298 115.700 0.038 0.000 2.356 160 S HA -0.156 4.314 4.470 -0.000 0.000 0.223 160 S C 2.097 176.723 174.600 0.043 0.000 1.032 160 S CA 1.491 59.759 58.200 0.113 0.000 1.005 160 S CB -0.063 63.264 63.200 0.212 0.000 0.867 160 S HN 0.284 nan 8.310 nan 0.000 0.449 161 A N 1.177 123.899 122.820 -0.163 0.000 1.930 161 A HA -0.037 4.283 4.320 -0.000 0.000 0.217 161 A C 2.197 179.449 177.584 -0.554 0.000 1.175 161 A CA 1.699 53.329 52.037 -0.679 0.000 0.627 161 A CB -0.667 17.941 19.000 -0.653 0.000 0.815 161 A HN 0.627 nan 8.150 nan 0.000 0.443 162 K N -0.558 119.632 120.400 -0.350 0.000 2.097 162 K HA -0.177 4.143 4.320 -0.000 0.000 0.205 162 K C 2.240 178.698 176.600 -0.237 0.000 1.050 162 K CA 1.559 57.650 56.287 -0.327 0.000 0.938 162 K CB -0.159 32.214 32.500 -0.211 0.000 0.718 162 K HN 0.635 nan 8.250 nan 0.000 0.442 163 Q N 0.346 120.068 119.800 -0.129 0.000 2.050 163 Q HA -0.179 4.161 4.340 -0.000 0.000 0.202 163 Q C 2.097 178.092 176.000 -0.007 0.000 0.980 163 Q CA 1.395 57.176 55.803 -0.035 0.000 0.840 163 Q CB -0.097 28.662 28.738 0.034 0.000 0.898 163 Q HN 0.188 nan 8.270 nan 0.000 0.424 164 L N 0.438 121.652 121.223 -0.015 0.000 2.056 164 L HA -0.079 4.261 4.340 -0.000 0.000 0.207 164 L C 2.130 178.999 176.870 -0.001 0.000 1.078 164 L CA 1.934 56.817 54.840 0.072 0.000 0.749 164 L CB -0.824 41.332 42.059 0.162 0.000 0.901 164 L HN 0.152 nan 8.230 nan 0.000 0.433 165 A N -1.722 120.893 122.820 -0.342 0.000 1.940 165 A HA -0.223 4.097 4.320 -0.000 0.000 0.219 165 A C 2.279 179.792 177.584 -0.117 0.000 1.176 165 A CA 2.359 54.107 52.037 -0.481 0.000 0.631 165 A CB -1.160 17.071 19.000 -1.282 0.000 0.814 165 A HN 0.495 nan 8.150 nan 0.000 0.446 166 T N -0.041 114.431 114.554 -0.136 0.000 2.737 166 T HA -0.102 4.248 4.350 -0.000 0.000 0.265 166 T C 1.865 176.569 174.700 0.006 0.000 1.038 166 T CA 1.340 63.392 62.100 -0.081 0.000 1.144 166 T CB -0.376 68.449 68.868 -0.072 0.000 0.866 166 T HN 0.404 nan 8.240 nan 0.000 0.434 167 L N 0.277 121.551 121.223 0.085 0.000 2.042 167 L HA -0.083 4.257 4.340 -0.000 0.000 0.210 167 L C 2.223 179.210 176.870 0.195 0.000 1.076 167 L CA 1.545 56.475 54.840 0.150 0.000 0.749 167 L CB -0.402 41.782 42.059 0.208 0.000 0.893 167 L HN 0.217 nan 8.230 nan 0.000 0.432 168 F N -0.221 119.801 119.950 0.120 0.000 2.091 168 F HA -0.248 4.279 4.527 -0.000 0.000 0.299 168 F C 2.109 178.018 175.800 0.183 0.000 1.103 168 F CA 2.150 60.278 58.000 0.213 0.000 1.228 168 F CB -0.747 38.484 39.000 0.386 0.000 0.984 168 F HN -0.115 nan 8.300 nan 0.000 0.477 169 V N 1.121 120.952 119.914 -0.138 0.000 2.261 169 V HA -0.370 3.750 4.120 -0.000 0.000 0.246 169 V C 2.081 178.044 176.094 -0.218 0.000 1.047 169 V CA 2.467 64.530 62.300 -0.395 0.000 1.015 169 V CB -1.134 30.349 31.823 -0.566 0.000 0.642 169 V HN 0.421 nan 8.190 nan 0.000 0.446 170 N N 0.125 118.744 118.700 -0.135 0.000 2.094 170 N HA -0.234 4.506 4.740 -0.000 0.000 0.191 170 N C 1.761 177.219 175.510 -0.087 0.000 1.023 170 N CA 1.469 54.460 53.050 -0.098 0.000 0.857 170 N CB -0.247 38.227 38.487 -0.021 0.000 1.013 170 N HN 0.354 nan 8.380 nan 0.000 0.426 171 L N 0.639 121.841 121.223 -0.035 0.000 2.109 171 L HA -0.001 4.339 4.340 -0.000 0.000 0.207 171 L C 2.065 178.942 176.870 0.012 0.000 1.086 171 L CA 1.377 56.212 54.840 -0.009 0.000 0.760 171 L CB -0.492 41.570 42.059 0.005 0.000 0.910 171 L HN 0.223 nan 8.230 nan 0.000 0.437 172 C N -1.315 117.958 119.300 -0.045 0.000 2.446 172 C HA -0.029 4.431 4.460 -0.000 0.000 0.277 172 C C 2.212 177.260 174.990 0.096 0.000 1.275 172 C CA 1.051 60.093 59.018 0.041 0.000 1.727 172 C CB -0.478 27.202 27.740 -0.100 0.000 2.010 172 C HN 0.570 nan 8.230 nan 0.000 0.486 173 V N -2.102 117.782 119.914 -0.050 0.000 3.276 173 V HA 0.298 4.418 4.120 -0.000 0.000 0.319 173 V C 0.723 176.667 176.094 -0.250 0.000 1.476 173 V CA 0.778 63.015 62.300 -0.106 0.000 1.097 173 V CB -1.299 30.583 31.823 0.099 0.000 0.988 173 V HN 0.525 nan 8.190 nan 0.000 0.473 174 T N -1.317 113.008 114.554 -0.383 0.000 3.760 174 T HA -0.094 4.256 4.350 -0.000 0.000 0.366 174 T C 0.163 174.695 174.700 -0.280 0.000 0.761 174 T CA 1.326 63.195 62.100 -0.385 0.000 1.887 174 T CB -2.547 65.972 68.868 -0.582 0.000 1.811 174 T HN 2.418 nan 8.240 nan 0.000 0.749 175 A N -0.289 122.350 122.820 -0.301 0.000 2.594 175 A HA 0.725 5.045 4.320 -0.000 0.000 0.291 175 A C -0.343 177.024 177.584 -0.362 0.000 1.105 175 A CA -1.069 50.717 52.037 -0.419 0.000 0.694 175 A CB 1.220 19.724 19.000 -0.827 0.000 1.291 175 A HN 0.339 nan 8.150 nan 0.000 0.410 176 E N 0.567 120.513 120.200 -0.422 0.000 2.373 176 E HA 0.207 4.557 4.350 -0.000 0.000 0.263 176 E C 1.279 177.579 176.600 -0.499 0.000 1.073 176 E CA 0.591 56.710 56.400 -0.469 0.000 0.894 176 E CB 0.725 29.959 29.700 -0.776 0.000 1.008 176 E HN 0.800 nan 8.360 nan 0.000 0.420 177 T N -1.227 113.109 114.554 -0.363 0.000 2.803 177 T HA -0.210 4.140 4.350 -0.000 0.000 0.269 177 T C 1.421 176.001 174.700 -0.199 0.000 1.052 177 T CA 1.709 63.649 62.100 -0.267 0.000 1.136 177 T CB -0.384 68.377 68.868 -0.178 0.000 0.864 177 T HN 0.625 nan 8.240 nan 0.000 0.467 178 H N 0.516 119.524 119.070 -0.104 0.000 2.551 178 H HA 0.273 4.829 4.556 -0.000 0.000 0.266 178 H C 1.432 176.730 175.328 -0.051 0.000 0.977 178 H CA 0.725 56.732 56.048 -0.068 0.000 1.163 178 H CB -0.151 29.572 29.762 -0.066 0.000 1.381 178 H HN 0.501 nan 8.280 nan 0.000 0.581 179 E N 1.341 121.353 120.200 -0.313 0.000 2.340 179 E HA 0.056 4.406 4.350 -0.000 0.000 0.194 179 E C 0.742 177.306 176.600 -0.060 0.000 0.996 179 E CA 0.361 56.654 56.400 -0.178 0.000 0.869 179 E CB 0.901 30.364 29.700 -0.395 0.000 0.835 179 E HN 0.350 nan 8.360 nan 0.000 0.493 180 V N -0.898 118.969 119.914 -0.078 0.000 2.667 180 V HA 0.433 4.553 4.120 -0.000 0.000 0.308 180 V C -0.006 176.215 176.094 0.212 0.000 1.048 180 V CA -1.167 61.193 62.300 0.100 0.000 0.928 180 V CB 1.831 33.743 31.823 0.149 0.000 1.004 180 V HN -0.015 nan 8.190 nan 0.000 0.444 181 S N 3.340 119.241 115.700 0.335 0.000 2.562 181 S HA 0.474 4.944 4.470 -0.000 0.000 0.281 181 S C 1.416 176.256 174.600 0.400 0.000 1.333 181 S CA 0.194 58.604 58.200 0.350 0.000 1.052 181 S CB 1.029 64.465 63.200 0.394 0.000 0.884 181 S HN 1.775 nan 8.310 nan 0.000 0.506 182 A N 4.665 127.658 122.820 0.287 0.000 1.877 182 A HA -0.019 4.301 4.320 -0.000 0.000 0.216 182 A C 2.045 179.810 177.584 0.303 0.000 1.186 182 A CA 1.609 53.791 52.037 0.241 0.000 0.620 182 A CB -1.018 18.053 19.000 0.119 0.000 0.822 182 A HN 0.989 nan 8.150 nan 0.000 0.443 183 L N -1.431 120.011 121.223 0.366 0.000 2.012 183 L HA -0.179 4.161 4.340 -0.000 0.000 0.210 183 L C 2.237 179.344 176.870 0.395 0.000 1.073 183 L CA 2.599 57.684 54.840 0.408 0.000 0.748 183 L CB -0.776 41.524 42.059 0.401 0.000 0.891 183 L HN 0.658 nan 8.230 nan 0.000 0.431 184 W N -0.543 120.922 121.300 0.275 0.000 2.355 184 W HA -0.297 4.363 4.660 -0.000 0.000 0.309 184 W C 2.371 179.161 176.519 0.452 0.000 1.206 184 W CA 2.045 59.576 57.345 0.309 0.000 1.284 184 W CB -0.677 28.947 29.460 0.274 0.000 1.145 184 W HN 0.297 nan 8.180 nan 0.000 0.502 185 F N 0.625 120.659 119.950 0.141 0.000 2.186 185 F HA -0.151 4.376 4.527 -0.000 0.000 0.299 185 F C 2.046 177.784 175.800 -0.103 0.000 1.090 185 F CA 2.055 59.960 58.000 -0.159 0.000 1.307 185 F CB -0.581 38.449 39.000 0.050 0.000 1.019 185 F HN -0.179 nan 8.300 nan 0.000 0.489 186 L N -1.349 119.913 121.223 0.065 0.000 2.141 186 L HA -0.185 4.155 4.340 -0.000 0.000 0.209 186 L C 2.238 179.052 176.870 -0.092 0.000 1.094 186 L CA 1.404 56.220 54.840 -0.040 0.000 0.763 186 L CB -0.947 41.112 42.059 -0.000 0.000 0.908 186 L HN 0.435 nan 8.230 nan 0.000 0.437 187 W N 0.010 121.194 121.300 -0.194 0.000 2.358 187 W HA -0.294 4.366 4.660 -0.000 0.000 0.303 187 W C 2.600 178.914 176.519 -0.342 0.000 1.208 187 W CA 1.406 58.617 57.345 -0.224 0.000 1.274 187 W CB -0.555 28.801 29.460 -0.173 0.000 1.138 187 W HN 0.107 nan 8.180 nan 0.000 0.515 188 Y N 0.668 120.512 120.300 -0.760 0.000 2.128 188 Y HA -0.292 4.258 4.550 -0.000 0.000 0.284 188 Y C 2.365 177.720 175.900 -0.908 0.000 1.154 188 Y CA 3.021 60.471 58.100 -1.084 0.000 1.149 188 Y CB -0.785 36.995 38.460 -1.134 0.000 0.976 188 Y HN -0.141 nan 8.280 nan 0.000 0.505 189 V N 0.830 120.339 119.914 -0.676 0.000 2.307 189 V HA -0.296 3.824 4.120 -0.000 0.000 0.245 189 V C 2.307 178.079 176.094 -0.536 0.000 1.045 189 V CA 2.227 64.207 62.300 -0.533 0.000 1.024 189 V CB -0.811 30.800 31.823 -0.353 0.000 0.651 189 V HN 0.394 nan 8.190 nan 0.000 0.449 190 K N 2.270 122.376 120.400 -0.490 0.000 2.032 190 K HA -0.276 4.044 4.320 -0.000 0.000 0.209 190 K C 1.970 178.244 176.600 -0.544 0.000 1.048 190 K CA 2.391 58.425 56.287 -0.422 0.000 0.927 190 K CB -0.669 31.657 32.500 -0.291 0.000 0.712 190 K HN 0.608 nan 8.250 nan 0.000 0.441 191 Q N -0.633 118.697 119.800 -0.784 0.000 2.488 191 Q HA 0.041 4.381 4.340 -0.000 0.000 0.211 191 Q C 1.163 176.647 176.000 -0.860 0.000 0.967 191 Q CA 1.190 56.532 55.803 -0.769 0.000 0.926 191 Q CB -0.511 27.610 28.738 -1.029 0.000 0.992 191 Q HN 0.335 nan 8.270 nan 0.000 0.506 192 C N -0.021 118.630 119.300 -1.082 0.000 2.791 192 C HA 0.596 5.056 4.460 -0.000 0.000 0.270 192 C C 1.557 175.818 174.990 -1.215 0.000 1.257 192 C CA 0.186 58.190 59.018 -1.691 0.000 1.699 192 C CB -0.834 25.900 27.740 -1.677 0.000 1.904 192 C HN 0.835 nan 8.230 nan 0.000 0.603 193 G N 0.074 108.480 108.800 -0.656 0.000 2.159 193 G HA2 0.291 4.251 3.960 -0.000 0.000 0.227 193 G HA3 0.291 4.251 3.960 -0.000 0.000 0.227 193 G C 0.449 175.184 174.900 -0.274 0.000 0.986 193 G CA 0.008 44.889 45.100 -0.364 0.000 0.651 193 G HN 1.640 nan 8.290 nan 0.000 0.523 194 G N -2.134 106.482 108.800 -0.307 0.000 2.525 194 G HA2 0.344 4.304 3.960 -0.000 0.000 0.685 194 G HA3 0.344 4.304 3.960 -0.000 0.000 0.685 194 G C 0.975 175.800 174.900 -0.125 0.000 1.290 194 G CA 0.918 45.903 45.100 -0.192 0.000 0.915 194 G HN 1.809 nan 8.290 nan 0.000 0.548 195 T N -2.797 111.729 114.554 -0.047 0.000 2.708 195 T HA -0.110 4.240 4.350 -0.000 0.000 0.266 195 T C 2.357 177.014 174.700 -0.071 0.000 1.037 195 T CA 2.917 65.022 62.100 0.008 0.000 1.146 195 T CB -0.820 68.077 68.868 0.049 0.000 0.865 195 T HN 0.941 nan 8.240 nan 0.000 0.435 196 T N 1.389 115.911 114.554 -0.054 0.000 2.708 196 T HA -0.058 4.292 4.350 -0.000 0.000 0.266 196 T C 2.132 176.776 174.700 -0.094 0.000 1.037 196 T CA 1.583 63.637 62.100 -0.076 0.000 1.146 196 T CB -0.338 68.550 68.868 0.034 0.000 0.865 196 T HN 0.299 nan 8.240 nan 0.000 0.435 197 R N 0.915 121.380 120.500 -0.059 0.000 2.091 197 R HA 0.098 4.438 4.340 -0.000 0.000 0.238 197 R C 2.224 178.546 176.300 0.037 0.000 1.136 197 R CA 1.278 57.369 56.100 -0.015 0.000 0.959 197 R CB -0.887 29.390 30.300 -0.038 0.000 0.856 197 R HN 0.463 nan 8.270 nan 0.000 0.437 198 I N 0.304 120.864 120.570 -0.017 0.000 2.394 198 I HA -0.166 4.004 4.170 -0.000 0.000 0.251 198 I C 1.696 177.883 176.117 0.116 0.000 1.136 198 I CA 1.270 62.612 61.300 0.070 0.000 1.425 198 I CB 0.062 38.066 38.000 0.007 0.000 1.079 198 I HN 0.351 nan 8.210 nan 0.000 0.425 199 I N -2.782 117.807 120.570 0.031 0.000 3.427 199 I HA 0.135 4.305 4.170 -0.000 0.000 0.288 199 I C 0.858 176.913 176.117 -0.104 0.000 1.249 199 I CA -0.047 61.235 61.300 -0.031 0.000 1.421 199 I CB -0.086 37.832 38.000 -0.137 0.000 1.086 199 I HN -0.102 nan 8.210 nan 0.000 0.448 200 S N 1.335 116.966 115.700 -0.114 0.000 2.584 200 S HA 0.259 4.729 4.470 -0.000 0.000 0.273 200 S C 0.941 175.499 174.600 -0.070 0.000 1.311 200 S CA -0.253 57.874 58.200 -0.120 0.000 1.034 200 S CB 1.684 64.811 63.200 -0.121 0.000 0.939 200 S HN 0.301 nan 8.310 nan 0.000 0.513 201 T N 2.194 116.707 114.554 -0.068 0.000 2.896 201 T HA 0.022 4.372 4.350 -0.000 0.000 0.238 201 T C 0.594 175.256 174.700 -0.063 0.000 1.045 201 T CA 0.677 62.734 62.100 -0.072 0.000 1.248 201 T CB -0.343 68.486 68.868 -0.067 0.000 0.955 201 T HN 0.612 nan 8.240 nan 0.000 0.416 202 T N 3.564 118.087 114.554 -0.052 0.000 2.831 202 T HA 0.106 4.456 4.350 -0.000 0.000 0.291 202 T C 0.692 175.370 174.700 -0.038 0.000 0.981 202 T CA 0.401 62.477 62.100 -0.039 0.000 1.174 202 T CB -0.174 68.677 68.868 -0.027 0.000 0.929 202 T HN 0.518 nan 8.240 nan 0.000 0.532 203 N N 0.803 119.483 118.700 -0.033 0.000 2.782 203 N HA -0.145 4.595 4.740 -0.000 0.000 0.251 203 N C 0.152 175.652 175.510 -0.017 0.000 1.101 203 N CA 1.426 54.462 53.050 -0.023 0.000 0.764 203 N CB -1.062 37.417 38.487 -0.013 0.000 1.122 203 N HN 0.946 nan 8.380 nan 0.000 0.561 204 G N -3.091 105.691 108.800 -0.030 0.000 3.086 204 G HA2 0.571 4.531 3.960 -0.000 0.000 0.282 204 G HA3 0.571 4.531 3.960 -0.000 0.000 0.282 204 G C 0.968 175.846 174.900 -0.037 0.000 1.343 204 G CA -0.040 45.059 45.100 -0.002 0.000 0.895 204 G HN 0.292 nan 8.290 nan 0.000 0.557 205 G N -0.943 107.869 108.800 0.019 0.000 2.470 205 G HA2 -0.018 3.942 3.960 -0.000 0.000 0.220 205 G HA3 -0.018 3.942 3.960 -0.000 0.000 0.220 205 G C 1.170 176.012 174.900 -0.097 0.000 1.121 205 G CA 0.946 45.983 45.100 -0.106 0.000 0.766 205 G HN 0.407 nan 8.290 nan 0.000 0.553 206 Q N -0.401 119.340 119.800 -0.097 0.000 2.201 206 Q HA 0.275 4.615 4.340 -0.000 0.000 0.217 206 Q C 1.660 177.576 176.000 -0.140 0.000 0.860 206 Q CA -0.119 55.563 55.803 -0.200 0.000 0.984 206 Q CB 0.705 29.243 28.738 -0.332 0.000 1.095 206 Q HN 0.627 nan 8.270 nan 0.000 0.477 207 E N 0.491 120.627 120.200 -0.107 0.000 2.077 207 E HA -0.077 4.273 4.350 -0.000 0.000 0.193 207 E C -0.031 176.507 176.600 -0.104 0.000 0.989 207 E CA 0.807 57.150 56.400 -0.095 0.000 0.800 207 E CB 0.434 30.076 29.700 -0.096 0.000 0.746 207 E HN 0.151 nan 8.360 nan 0.000 0.452 208 R N -0.791 119.625 120.500 -0.140 0.000 2.808 208 R HA 0.428 4.768 4.340 -0.000 0.000 0.272 208 R C -0.952 175.139 176.300 -0.348 0.000 0.995 208 R CA -0.783 55.157 56.100 -0.266 0.000 0.917 208 R CB 2.002 32.125 30.300 -0.295 0.000 1.217 208 R HN -0.152 nan 8.270 nan 0.000 0.471 209 K N 1.023 121.049 120.400 -0.623 0.000 2.395 209 K HA 0.421 4.741 4.320 -0.000 0.000 0.245 209 K C -0.927 175.331 176.600 -0.571 0.000 1.017 209 K CA -0.781 55.132 56.287 -0.624 0.000 0.852 209 K CB 1.608 33.787 32.500 -0.534 0.000 1.311 209 K HN 0.262 nan 8.250 nan 0.000 0.452 210 F N 1.018 120.891 119.950 -0.129 0.000 2.410 210 F HA 0.118 4.645 4.527 -0.000 0.000 0.348 210 F C 0.676 176.537 175.800 0.101 0.000 1.106 210 F CA -1.022 56.960 58.000 -0.029 0.000 1.163 210 F CB 1.063 40.029 39.000 -0.057 0.000 1.129 210 F HN 0.017 nan 8.300 nan 0.000 0.516 211 V N 3.761 123.893 119.914 0.363 0.000 2.493 211 V HA 0.193 4.313 4.120 -0.000 0.000 0.292 211 V C 0.944 176.968 176.094 -0.116 0.000 1.016 211 V CA 1.236 63.679 62.300 0.238 0.000 1.097 211 V CB 0.042 31.977 31.823 0.187 0.000 0.947 211 V HN 1.116 nan 8.190 nan 0.000 0.479 212 G N 3.314 111.694 108.800 -0.700 0.000 2.195 212 G HA2 0.141 4.101 3.960 -0.000 0.000 0.246 212 G HA3 0.141 4.101 3.960 -0.000 0.000 0.246 212 G C 0.785 175.167 174.900 -0.863 0.000 0.984 212 G CA -0.068 44.292 45.100 -1.233 0.000 0.633 212 G HN 2.432 nan 8.290 nan 0.000 0.525 213 G N -1.467 107.131 108.800 -0.337 0.000 2.650 213 G HA2 0.363 4.323 3.960 -0.000 0.000 0.686 213 G HA3 0.363 4.323 3.960 -0.000 0.000 0.686 213 G C 0.816 175.735 174.900 0.032 0.000 1.205 213 G CA 0.862 45.952 45.100 -0.017 0.000 0.781 213 G HN 1.892 nan 8.290 nan 0.000 0.648 214 S N -0.029 115.743 115.700 0.121 0.000 2.481 214 S HA 0.140 4.610 4.470 -0.000 0.000 0.231 214 S C 2.502 177.102 174.600 -0.000 0.000 0.996 214 S CA 1.599 59.877 58.200 0.130 0.000 0.942 214 S CB -0.010 63.321 63.200 0.218 0.000 0.768 214 S HN 2.179 nan 8.310 nan 0.000 0.520 215 G N 1.312 110.116 108.800 0.006 0.000 2.470 215 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.220 215 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.220 215 G C 1.437 176.311 174.900 -0.045 0.000 1.121 215 G CA 0.562 45.664 45.100 0.004 0.000 0.766 215 G HN 0.649 nan 8.290 nan 0.000 0.553 216 Q N -0.194 119.545 119.800 -0.100 0.000 2.291 216 Q HA -0.029 4.311 4.340 -0.000 0.000 0.205 216 Q C 2.698 178.606 176.000 -0.153 0.000 0.970 216 Q CA 0.822 56.546 55.803 -0.133 0.000 0.876 216 Q CB -0.116 28.517 28.738 -0.175 0.000 0.935 216 Q HN 0.435 nan 8.270 nan 0.000 0.455 217 V N 0.268 120.070 119.914 -0.187 0.000 2.261 217 V HA -0.273 3.847 4.120 -0.000 0.000 0.246 217 V C 2.122 178.158 176.094 -0.098 0.000 1.047 217 V CA 2.116 64.306 62.300 -0.183 0.000 1.015 217 V CB -0.560 31.144 31.823 -0.198 0.000 0.642 217 V HN 0.285 nan 8.190 nan 0.000 0.446 218 S N -0.770 114.896 115.700 -0.056 0.000 2.387 218 S HA -0.177 4.293 4.470 -0.000 0.000 0.226 218 S C 1.935 176.517 174.600 -0.031 0.000 1.026 218 S CA 1.352 59.536 58.200 -0.027 0.000 0.972 218 S CB -0.235 62.970 63.200 0.009 0.000 0.814 218 S HN 0.666 nan 8.310 nan 0.000 0.477 219 E N 1.004 121.184 120.200 -0.034 0.000 2.077 219 E HA -0.094 4.256 4.350 -0.000 0.000 0.193 219 E C 2.348 178.920 176.600 -0.048 0.000 0.989 219 E CA 0.914 57.294 56.400 -0.033 0.000 0.800 219 E CB -0.042 29.637 29.700 -0.035 0.000 0.746 219 E HN 0.339 nan 8.360 nan 0.000 0.452 220 R N 0.100 120.561 120.500 -0.065 0.000 2.115 220 R HA -0.015 4.325 4.340 -0.000 0.000 0.226 220 R C 2.321 178.583 176.300 -0.063 0.000 1.100 220 R CA 0.780 56.839 56.100 -0.067 0.000 0.980 220 R CB -0.137 30.112 30.300 -0.084 0.000 0.875 220 R HN 0.222 nan 8.270 nan 0.000 0.445 221 I N 0.679 121.211 120.570 -0.064 0.000 2.315 221 I HA -0.274 3.896 4.170 -0.000 0.000 0.248 221 I C 2.656 178.729 176.117 -0.073 0.000 1.117 221 I CA 1.103 62.364 61.300 -0.064 0.000 1.404 221 I CB -0.166 37.801 38.000 -0.055 0.000 1.071 221 I HN 0.192 nan 8.210 nan 0.000 0.419 222 M N 0.869 120.433 119.600 -0.059 0.000 2.108 222 M HA -0.257 4.223 4.480 -0.000 0.000 0.261 222 M C 1.654 177.917 176.300 -0.061 0.000 1.066 222 M CA 1.966 57.231 55.300 -0.058 0.000 1.107 222 M CB -0.213 32.364 32.600 -0.038 0.000 1.356 222 M HN 0.150 nan 8.290 nan 0.000 0.406 223 D N 0.683 121.051 120.400 -0.054 0.000 2.123 223 D HA -0.164 4.476 4.640 -0.000 0.000 0.196 223 D C 2.032 178.296 176.300 -0.060 0.000 0.992 223 D CA 1.479 55.449 54.000 -0.049 0.000 0.833 223 D CB -0.498 40.277 40.800 -0.042 0.000 0.954 223 D HN 0.438 nan 8.370 nan 0.000 0.455 224 L N 0.005 121.183 121.223 -0.075 0.000 2.141 224 L HA -0.084 4.256 4.340 -0.000 0.000 0.209 224 L C 2.377 179.138 176.870 -0.181 0.000 1.094 224 L CA 0.591 55.374 54.840 -0.094 0.000 0.763 224 L CB -0.195 41.815 42.059 -0.082 0.000 0.908 224 L HN 0.013 nan 8.230 nan 0.000 0.437 225 L N -1.222 119.880 121.223 -0.201 0.000 2.446 225 L HA 0.157 4.497 4.340 -0.000 0.000 0.219 225 L C 1.692 178.471 176.870 -0.152 0.000 1.116 225 L CA 0.435 55.112 54.840 -0.272 0.000 0.844 225 L CB -0.579 41.349 42.059 -0.219 0.000 0.970 225 L HN 0.425 nan 8.230 nan 0.000 0.457 226 G N 1.767 110.510 108.800 -0.094 0.000 2.596 226 G HA2 -0.447 3.513 3.960 -0.000 0.000 0.304 226 G HA3 -0.447 3.513 3.960 -0.000 0.000 0.304 226 G C 0.652 175.529 174.900 -0.038 0.000 1.189 226 G CA 0.457 45.526 45.100 -0.052 0.000 0.986 226 G HN 0.490 nan 8.290 nan 0.000 0.548 227 D N 1.213 121.601 120.400 -0.020 0.000 2.363 227 D HA 0.026 4.666 4.640 -0.000 0.000 0.226 227 D C 2.080 178.379 176.300 -0.001 0.000 1.020 227 D CA 0.668 54.666 54.000 -0.005 0.000 0.892 227 D CB -0.263 40.542 40.800 0.009 0.000 0.900 227 D HN 0.609 nan 8.370 nan 0.000 0.531 228 R N -0.066 120.422 120.500 -0.019 0.000 2.235 228 R HA 0.083 4.423 4.340 -0.000 0.000 0.213 228 R C 0.411 176.690 176.300 -0.036 0.000 1.059 228 R CA 0.241 56.331 56.100 -0.017 0.000 0.997 228 R CB 0.338 30.617 30.300 -0.035 0.000 0.884 228 R HN 0.060 nan 8.270 nan 0.000 0.462 229 V N 3.009 122.897 119.914 -0.043 0.000 2.406 229 V HA 0.117 4.237 4.120 -0.000 0.000 0.272 229 V C -0.091 175.979 176.094 -0.040 0.000 1.043 229 V CA -0.412 61.858 62.300 -0.051 0.000 0.915 229 V CB 1.320 33.114 31.823 -0.048 0.000 0.988 229 V HN 0.054 nan 8.190 nan 0.000 0.466 230 K N 6.596 126.960 120.400 -0.060 0.000 2.334 230 K HA 0.532 4.852 4.320 -0.000 0.000 0.265 230 K C -0.736 175.832 176.600 -0.053 0.000 1.039 230 K CA -0.353 55.908 56.287 -0.043 0.000 0.920 230 K CB 1.888 34.359 32.500 -0.048 0.000 1.160 230 K HN 0.494 nan 8.250 nan 0.000 0.451 231 L N 1.706 122.908 121.223 -0.034 0.000 2.418 231 L HA 0.154 4.494 4.340 -0.000 0.000 0.265 231 L C 0.663 177.507 176.870 -0.043 0.000 1.143 231 L CA -0.136 54.680 54.840 -0.041 0.000 0.809 231 L CB 0.190 42.234 42.059 -0.025 0.000 1.124 231 L HN 0.698 nan 8.230 nan 0.000 0.456 232 E N 0.800 120.961 120.200 -0.065 0.000 2.389 232 E HA -0.224 4.126 4.350 -0.000 0.000 0.243 232 E C -0.518 176.044 176.600 -0.064 0.000 1.154 232 E CA 0.274 56.633 56.400 -0.068 0.000 0.723 232 E CB -0.772 28.906 29.700 -0.038 0.000 1.261 232 E HN 0.379 nan 8.360 nan 0.000 0.390 233 R N 0.201 120.649 120.500 -0.087 0.000 2.651 233 R HA 0.249 4.589 4.340 -0.000 0.000 0.282 233 R C -2.731 173.506 176.300 -0.105 0.000 1.565 233 R CA -1.901 54.159 56.100 -0.065 0.000 1.661 233 R CB 0.675 30.944 30.300 -0.053 0.000 1.189 233 R HN -0.025 nan 8.270 nan 0.000 0.621 234 P HA 0.018 nan 4.420 nan 0.000 0.271 234 P C -0.318 176.965 177.300 -0.027 0.000 1.226 234 P CA -0.174 62.846 63.100 -0.134 0.000 0.765 234 P CB 0.949 32.591 31.700 -0.096 0.000 0.835 235 V N 5.530 125.433 119.914 -0.018 0.000 2.555 235 V HA 0.066 4.185 4.120 -0.000 0.000 0.286 235 V C 1.678 177.804 176.094 0.053 0.000 1.044 235 V CA 0.412 62.721 62.300 0.016 0.000 1.026 235 V CB 0.394 32.211 31.823 -0.010 0.000 0.981 235 V HN 0.529 nan 8.190 nan 0.000 0.480 236 I N 1.967 122.585 120.570 0.080 0.000 4.323 236 I HA 0.445 4.615 4.170 -0.000 0.000 0.328 236 I C -0.005 176.213 176.117 0.167 0.000 1.310 236 I CA 0.118 61.492 61.300 0.124 0.000 1.186 236 I CB 0.590 38.655 38.000 0.107 0.000 1.130 236 I HN 0.492 nan 8.210 nan 0.000 0.411 237 Y N 1.865 122.126 120.300 -0.064 0.000 2.390 237 Y HA 0.673 5.223 4.550 -0.000 0.000 0.324 237 Y C -1.874 173.961 175.900 -0.109 0.000 1.151 237 Y CA -1.504 56.539 58.100 -0.094 0.000 1.053 237 Y CB 1.547 39.981 38.460 -0.044 0.000 1.277 237 Y HN -0.013 nan 8.280 nan 0.000 0.432 238 I N 5.920 126.086 120.570 -0.674 0.000 2.418 238 I HA 0.304 4.474 4.170 -0.000 0.000 0.287 238 I C -1.238 174.512 176.117 -0.612 0.000 1.008 238 I CA -0.667 60.326 61.300 -0.511 0.000 1.104 238 I CB 1.723 39.569 38.000 -0.257 0.000 1.264 238 I HN 0.521 nan 8.210 nan 0.000 0.438 239 D N 6.047 126.154 120.400 -0.488 0.000 2.425 239 D HA 0.263 4.903 4.640 -0.000 0.000 0.240 239 D C -0.218 176.019 176.300 -0.105 0.000 1.080 239 D CA -0.168 53.645 54.000 -0.313 0.000 0.836 239 D CB 1.667 42.330 40.800 -0.229 0.000 1.125 239 D HN 0.518 nan 8.370 nan 0.000 0.525 240 Q N 1.665 121.439 119.800 -0.044 0.000 2.172 240 Q HA 0.068 4.408 4.340 -0.000 0.000 0.217 240 Q C 1.234 177.233 176.000 -0.001 0.000 0.832 240 Q CA 0.010 55.806 55.803 -0.013 0.000 1.010 240 Q CB 0.851 29.595 28.738 0.011 0.000 1.133 240 Q HN 0.565 nan 8.270 nan 0.000 0.489 241 T N -2.580 111.978 114.554 0.006 0.000 3.023 241 T HA 0.092 4.442 4.350 -0.000 0.000 0.266 241 T C 1.050 175.756 174.700 0.009 0.000 1.093 241 T CA 0.316 62.426 62.100 0.016 0.000 1.129 241 T CB 0.334 69.221 68.868 0.032 0.000 0.899 241 T HN 0.013 nan 8.240 nan 0.000 0.491 242 R N 0.288 120.790 120.500 0.003 0.000 2.719 242 R HA 0.461 4.801 4.340 -0.000 0.000 0.233 242 R C 1.705 177.996 176.300 -0.015 0.000 1.257 242 R CA -0.651 55.448 56.100 -0.001 0.000 1.109 242 R CB 0.553 30.855 30.300 0.003 0.000 1.447 242 R HN 0.073 nan 8.270 nan 0.000 0.537 243 E N 0.466 120.655 120.200 -0.017 0.000 2.058 243 E HA -0.146 4.204 4.350 -0.000 0.000 0.194 243 E C -0.311 176.259 176.600 -0.050 0.000 0.997 243 E CA 1.199 57.581 56.400 -0.030 0.000 0.801 243 E CB 0.147 29.833 29.700 -0.023 0.000 0.746 243 E HN 0.287 nan 8.360 nan 0.000 0.450 244 N N 0.120 118.795 118.700 -0.042 0.000 2.456 244 N HA 0.164 4.904 4.740 -0.000 0.000 0.296 244 N C -0.878 174.607 175.510 -0.041 0.000 1.102 244 N CA -0.326 52.692 53.050 -0.053 0.000 0.924 244 N CB 2.072 40.538 38.487 -0.035 0.000 1.186 244 N HN -0.169 nan 8.380 nan 0.000 0.492 245 V N 2.317 122.200 119.914 -0.052 0.000 2.572 245 V HA 0.162 4.282 4.120 -0.000 0.000 0.291 245 V C 0.490 176.578 176.094 -0.009 0.000 1.039 245 V CA -0.232 62.048 62.300 -0.033 0.000 1.055 245 V CB 0.209 32.014 31.823 -0.030 0.000 0.969 245 V HN 0.371 nan 8.190 nan 0.000 0.482 246 L N 5.560 126.773 121.223 -0.016 0.000 2.296 246 L HA 0.583 4.923 4.340 -0.000 0.000 0.286 246 L C -0.579 176.289 176.870 -0.005 0.000 1.023 246 L CA -0.473 54.374 54.840 0.012 0.000 0.812 246 L CB 1.817 43.896 42.059 0.033 0.000 1.223 246 L HN 0.384 nan 8.230 nan 0.000 0.421 247 V N 2.740 122.697 119.914 0.070 0.000 2.444 247 V HA 0.370 4.490 4.120 -0.000 0.000 0.294 247 V C -0.270 175.932 176.094 0.179 0.000 1.022 247 V CA -0.650 61.697 62.300 0.079 0.000 0.850 247 V CB 1.701 33.567 31.823 0.071 0.000 0.992 247 V HN 0.732 nan 8.190 nan 0.000 0.426 248 E N 3.039 123.347 120.200 0.181 0.000 2.195 248 E HA 0.657 5.007 4.350 -0.000 0.000 0.271 248 E C -0.239 176.468 176.600 0.177 0.000 0.923 248 E CA -0.471 56.061 56.400 0.220 0.000 0.790 248 E CB 1.823 31.687 29.700 0.273 0.000 1.155 248 E HN 0.840 nan 8.360 nan 0.000 0.402 249 T N 1.129 115.790 114.554 0.177 0.000 2.948 249 T HA 0.198 4.548 4.350 -0.000 0.000 0.285 249 T C 0.968 175.719 174.700 0.086 0.000 1.019 249 T CA -0.855 61.315 62.100 0.117 0.000 1.013 249 T CB 1.090 70.031 68.868 0.121 0.000 1.117 249 T HN 0.435 nan 8.240 nan 0.000 0.533 250 L N 1.608 122.851 121.223 0.032 0.000 2.079 250 L HA -0.015 4.325 4.340 -0.000 0.000 0.210 250 L C 1.825 178.587 176.870 -0.180 0.000 1.081 250 L CA 2.112 56.938 54.840 -0.023 0.000 0.752 250 L CB -1.285 40.769 42.059 -0.009 0.000 0.896 250 L HN 0.939 nan 8.230 nan 0.000 0.433 251 N N -2.307 116.305 118.700 -0.147 0.000 2.413 251 N HA -0.060 4.680 4.740 -0.000 0.000 0.207 251 N C -0.091 175.319 175.510 -0.167 0.000 1.206 251 N CA 0.346 53.255 53.050 -0.235 0.000 0.832 251 N CB -0.671 37.758 38.487 -0.096 0.000 1.037 251 N HN 0.550 nan 8.380 nan 0.000 0.467 252 H N -2.372 116.711 119.070 0.022 0.000 2.936 252 H HA -0.153 4.403 4.556 -0.000 0.000 0.276 252 H C -0.890 174.440 175.328 0.004 0.000 1.216 252 H CA 0.324 56.377 56.048 0.007 0.000 1.132 252 H CB -1.751 28.005 29.762 -0.011 0.000 1.303 252 H HN 0.573 nan 8.280 nan 0.000 0.370 253 E N 0.987 121.262 120.200 0.124 0.000 2.277 253 E HA 0.404 4.754 4.350 -0.000 0.000 0.274 253 E C 0.159 176.774 176.600 0.025 0.000 1.022 253 E CA -0.654 55.767 56.400 0.035 0.000 0.853 253 E CB 1.001 30.743 29.700 0.070 0.000 1.086 253 E HN 0.088 nan 8.360 nan 0.000 0.397 254 M N 2.564 122.072 119.600 -0.155 0.000 2.311 254 M HA 0.363 4.843 4.480 -0.000 0.000 0.325 254 M C -1.292 174.817 176.300 -0.318 0.000 1.061 254 M CA -0.612 54.633 55.300 -0.091 0.000 0.957 254 M CB 0.888 33.460 32.600 -0.047 0.000 1.646 254 M HN 0.492 nan 8.290 nan 0.000 0.434 255 Y N 0.336 120.651 120.300 0.026 0.000 2.409 255 Y HA 0.476 5.026 4.550 -0.000 0.000 0.343 255 Y C -0.010 175.895 175.900 0.009 0.000 0.973 255 Y CA -0.685 57.425 58.100 0.015 0.000 1.064 255 Y CB 1.851 40.319 38.460 0.013 0.000 1.207 255 Y HN 0.573 nan 8.280 nan 0.000 0.452 256 E N 1.746 122.025 120.200 0.131 0.000 2.210 256 E HA 0.848 5.198 4.350 -0.000 0.000 0.266 256 E C -1.423 175.216 176.600 0.065 0.000 0.883 256 E CA -0.711 55.730 56.400 0.068 0.000 0.761 256 E CB 1.456 31.172 29.700 0.027 0.000 1.156 256 E HN 0.761 nan 8.360 nan 0.000 0.412 257 A N 3.271 126.111 122.820 0.034 0.000 2.609 257 A HA 0.359 4.679 4.320 -0.000 0.000 0.291 257 A C -0.105 177.448 177.584 -0.051 0.000 1.096 257 A CA -0.642 51.407 52.037 0.020 0.000 0.684 257 A CB 1.445 20.476 19.000 0.051 0.000 1.282 257 A HN 0.659 nan 8.150 nan 0.000 0.412 258 K N -0.769 119.578 120.400 -0.088 0.000 2.116 258 K HA 0.099 4.419 4.320 -0.000 0.000 0.203 258 K C -0.649 175.601 176.600 -0.585 0.000 1.052 258 K CA 1.502 57.591 56.287 -0.331 0.000 0.952 258 K CB -0.072 32.248 32.500 -0.300 0.000 0.729 258 K HN 0.605 nan 8.250 nan 0.000 0.446 259 Y N -1.171 119.153 120.300 0.040 0.000 2.588 259 Y HA 0.410 4.960 4.550 -0.000 0.000 0.343 259 Y C -0.666 175.261 175.900 0.045 0.000 1.065 259 Y CA -1.341 56.798 58.100 0.065 0.000 1.038 259 Y CB 1.845 40.343 38.460 0.064 0.000 1.297 259 Y HN -0.423 nan 8.280 nan 0.000 0.467 260 V N 3.199 123.252 119.914 0.231 0.000 2.656 260 V HA 0.466 4.586 4.120 -0.000 0.000 0.307 260 V C -0.604 175.537 176.094 0.080 0.000 1.051 260 V CA -0.849 61.515 62.300 0.106 0.000 0.893 260 V CB 2.025 33.876 31.823 0.046 0.000 0.999 260 V HN 0.555 nan 8.190 nan 0.000 0.426 261 I N 2.974 123.563 120.570 0.032 0.000 2.339 261 I HA 0.331 4.501 4.170 -0.000 0.000 0.290 261 I C 0.347 176.452 176.117 -0.021 0.000 0.994 261 I CA -0.111 61.188 61.300 -0.002 0.000 1.191 261 I CB 1.858 39.864 38.000 0.010 0.000 1.343 261 I HN 0.611 nan 8.210 nan 0.000 0.458 262 S N 5.613 121.268 115.700 -0.075 0.000 2.399 262 S HA 0.501 4.971 4.470 -0.000 0.000 0.301 262 S C 0.409 175.084 174.600 0.125 0.000 1.093 262 S CA -0.509 57.713 58.200 0.036 0.000 1.077 262 S CB 0.457 63.701 63.200 0.072 0.000 0.980 262 S HN 0.707 nan 8.310 nan 0.000 0.494 263 A N 6.062 128.945 122.820 0.106 0.000 2.965 263 A HA 0.486 4.806 4.320 -0.000 0.000 0.304 263 A C 0.292 177.951 177.584 0.126 0.000 1.214 263 A CA -0.708 51.399 52.037 0.116 0.000 0.977 263 A CB -0.627 18.419 19.000 0.076 0.000 1.127 263 A HN 0.922 nan 8.150 nan 0.000 0.572 264 I N -3.972 116.692 120.570 0.157 0.000 2.846 264 I HA 0.685 4.855 4.170 -0.000 0.000 0.307 264 I C -2.939 173.273 176.117 0.158 0.000 1.053 264 I CA -3.123 58.267 61.300 0.150 0.000 1.050 264 I CB 1.694 39.784 38.000 0.150 0.000 1.239 264 I HN -0.142 nan 8.210 nan 0.000 0.439 265 P HA 0.130 nan 4.420 nan 0.000 0.264 265 P C -2.168 175.182 177.300 0.083 0.000 1.183 265 P CA -0.630 62.535 63.100 0.109 0.000 0.763 265 P CB -0.024 31.727 31.700 0.086 0.000 0.807 266 P HA -0.243 nan 4.420 nan 0.000 0.216 266 P C 1.632 178.913 177.300 -0.031 0.000 1.157 266 P CA 1.914 65.015 63.100 0.000 0.000 0.880 266 P CB -0.293 31.371 31.700 -0.060 0.000 0.791 267 T N -1.348 113.162 114.554 -0.073 0.000 2.881 267 T HA -0.081 4.269 4.350 -0.000 0.000 0.270 267 T C 1.543 176.233 174.700 -0.016 0.000 1.068 267 T CA 0.766 62.815 62.100 -0.085 0.000 1.131 267 T CB -0.828 67.955 68.868 -0.141 0.000 0.871 267 T HN -0.033 nan 8.240 nan 0.000 0.479 268 L N 0.407 121.648 121.223 0.031 0.000 2.456 268 L HA 0.108 4.448 4.340 -0.000 0.000 0.224 268 L C 2.790 179.732 176.870 0.120 0.000 1.148 268 L CA 0.703 55.590 54.840 0.078 0.000 0.825 268 L CB -0.700 41.430 42.059 0.118 0.000 0.937 268 L HN 0.352 nan 8.230 nan 0.000 0.450 269 G N -0.214 108.668 108.800 0.135 0.000 2.479 269 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.220 269 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.220 269 G C 1.602 176.638 174.900 0.227 0.000 1.115 269 G CA 0.251 45.488 45.100 0.228 0.000 0.757 269 G HN 0.143 nan 8.290 nan 0.000 0.560 270 M N 0.472 120.135 119.600 0.105 0.000 2.279 270 M HA -0.001 4.479 4.480 -0.000 0.000 0.264 270 M C 2.157 178.474 176.300 0.028 0.000 1.062 270 M CA 1.000 56.331 55.300 0.052 0.000 1.099 270 M CB -0.538 32.057 32.600 -0.009 0.000 1.394 270 M HN 0.230 nan 8.290 nan 0.000 0.426 271 K N 0.000 120.438 120.400 0.063 0.000 2.504 271 K HA 0.114 4.434 4.320 -0.000 0.000 0.195 271 K C 0.445 177.096 176.600 0.085 0.000 1.036 271 K CA 0.482 56.816 56.287 0.077 0.000 0.984 271 K CB 0.097 32.674 32.500 0.128 0.000 0.788 271 K HN 0.334 nan 8.250 nan 0.000 0.488 272 I N 1.300 121.883 120.570 0.022 0.000 2.377 272 I HA 0.114 4.284 4.170 -0.000 0.000 0.293 272 I C 0.161 176.122 176.117 -0.259 0.000 0.987 272 I CA -0.696 60.519 61.300 -0.142 0.000 1.185 272 I CB 1.262 39.027 38.000 -0.392 0.000 1.341 272 I HN 0.031 nan 8.210 nan 0.000 0.455 273 H N 6.194 125.148 119.070 -0.192 0.000 2.562 273 H HA 0.337 4.893 4.556 -0.000 0.000 0.314 273 H C -1.061 174.159 175.328 -0.179 0.000 1.079 273 H CA -0.244 55.791 56.048 -0.021 0.000 1.349 273 H CB 1.070 30.922 29.762 0.148 0.000 1.432 273 H HN 0.327 nan 8.280 nan 0.000 0.479 274 F N 1.975 122.018 119.950 0.155 0.000 2.450 274 F HA 0.177 4.704 4.527 -0.000 0.000 0.332 274 F C 0.627 176.462 175.800 0.058 0.000 1.093 274 F CA -0.707 57.318 58.000 0.042 0.000 1.003 274 F CB 1.340 40.355 39.000 0.025 0.000 1.151 274 F HN 0.474 nan 8.300 nan 0.000 0.474 275 N N 4.037 122.821 118.700 0.139 0.000 2.480 275 N HA 0.404 5.144 4.740 -0.000 0.000 0.289 275 N C -3.066 172.488 175.510 0.072 0.000 1.073 275 N CA -2.279 50.843 53.050 0.120 0.000 0.885 275 N CB 2.154 40.732 38.487 0.151 0.000 1.421 275 N HN 0.066 nan 8.380 nan 0.000 0.503 276 P HA 0.337 nan 4.420 nan 0.000 0.275 276 P C -2.655 174.716 177.300 0.117 0.000 1.266 276 P CA -1.027 62.127 63.100 0.090 0.000 0.793 276 P CB -0.366 31.367 31.700 0.055 0.000 1.074 277 P HA 0.075 nan 4.420 nan 0.000 0.268 277 P C 0.111 177.421 177.300 0.017 0.000 1.208 277 P CA 0.248 63.406 63.100 0.095 0.000 0.777 277 P CB 0.159 31.898 31.700 0.066 0.000 0.875 278 L N 3.493 124.678 121.223 -0.063 0.000 2.499 278 L HA 0.085 4.425 4.340 -0.000 0.000 0.281 278 L C -1.628 175.187 176.870 -0.091 0.000 1.234 278 L CA -1.421 53.314 54.840 -0.175 0.000 0.839 278 L CB -0.728 41.148 42.059 -0.305 0.000 1.104 278 L HN 0.309 nan 8.230 nan 0.000 0.500 279 P HA -0.051 nan 4.420 nan 0.000 0.268 279 P C 0.665 177.933 177.300 -0.054 0.000 1.208 279 P CA -0.220 62.846 63.100 -0.057 0.000 0.777 279 P CB 0.473 32.139 31.700 -0.056 0.000 0.875 280 M N 1.800 121.381 119.600 -0.032 0.000 2.089 280 M HA -0.229 4.251 4.480 -0.000 0.000 0.257 280 M C 1.266 177.570 176.300 0.006 0.000 1.071 280 M CA 2.273 57.564 55.300 -0.014 0.000 1.096 280 M CB -0.352 32.243 32.600 -0.008 0.000 1.330 280 M HN 0.218 nan 8.290 nan 0.000 0.403 281 M N -0.516 119.087 119.600 0.005 0.000 2.117 281 M HA -0.170 4.309 4.480 -0.000 0.000 0.262 281 M C 2.265 178.602 176.300 0.063 0.000 1.065 281 M CA 1.794 57.136 55.300 0.071 0.000 1.114 281 M CB -1.480 31.114 32.600 -0.009 0.000 1.361 281 M HN 0.409 nan 8.290 nan 0.000 0.408 282 R N 0.350 120.818 120.500 -0.053 0.000 2.075 282 R HA -0.157 4.183 4.340 -0.000 0.000 0.232 282 R C 2.000 178.212 176.300 -0.147 0.000 1.126 282 R CA 1.729 57.748 56.100 -0.134 0.000 0.963 282 R CB -0.238 29.936 30.300 -0.211 0.000 0.858 282 R HN 0.318 nan 8.270 nan 0.000 0.435 283 N N 0.353 118.983 118.700 -0.116 0.000 2.091 283 N HA -0.230 4.509 4.740 -0.000 0.000 0.193 283 N C 1.594 177.037 175.510 -0.112 0.000 1.021 283 N CA 1.960 54.949 53.050 -0.102 0.000 0.862 283 N CB 0.035 38.484 38.487 -0.062 0.000 1.018 283 N HN 0.376 nan 8.380 nan 0.000 0.429 284 Q N -1.108 118.628 119.800 -0.106 0.000 2.163 284 Q HA -0.041 4.299 4.340 -0.000 0.000 0.198 284 Q C 1.978 177.724 176.000 -0.423 0.000 0.954 284 Q CA 0.573 56.261 55.803 -0.192 0.000 0.851 284 Q CB -0.112 28.581 28.738 -0.075 0.000 0.928 284 Q HN 0.489 nan 8.270 nan 0.000 0.459 285 M N 1.636 120.970 119.600 -0.444 0.000 2.106 285 M HA -0.177 4.303 4.480 -0.000 0.000 0.259 285 M C 2.016 178.078 176.300 -0.396 0.000 1.068 285 M CA 1.683 56.663 55.300 -0.534 0.000 1.100 285 M CB -0.476 31.982 32.600 -0.237 0.000 1.351 285 M HN 0.299 nan 8.290 nan 0.000 0.404 286 I N -1.682 118.722 120.570 -0.278 0.000 3.334 286 I HA -0.069 4.101 4.170 -0.000 0.000 0.282 286 I C 1.439 177.427 176.117 -0.215 0.000 1.313 286 I CA 1.344 62.512 61.300 -0.220 0.000 1.396 286 I CB -0.956 36.959 38.000 -0.141 0.000 1.054 286 I HN 0.304 nan 8.210 nan 0.000 0.495 287 T N -2.631 111.775 114.554 -0.247 0.000 3.069 287 T HA 0.293 4.643 4.350 -0.000 0.000 0.252 287 T C 1.478 176.015 174.700 -0.272 0.000 1.053 287 T CA -0.225 61.743 62.100 -0.220 0.000 0.964 287 T CB -0.017 68.746 68.868 -0.175 0.000 1.005 287 T HN 0.396 nan 8.240 nan 0.000 0.532 288 R N 0.935 121.216 120.500 -0.365 0.000 2.472 288 R HA 0.321 4.661 4.340 -0.000 0.000 0.279 288 R C -0.119 175.878 176.300 -0.505 0.000 0.953 288 R CA 0.003 55.861 56.100 -0.402 0.000 1.088 288 R CB 1.303 31.315 30.300 -0.480 0.000 1.197 288 R HN 0.428 nan 8.270 nan 0.000 0.536 289 V N -0.491 119.101 119.914 -0.537 0.000 2.313 289 V HA 0.473 4.593 4.120 -0.000 0.000 0.262 289 V C -2.614 173.119 176.094 -0.602 0.000 1.011 289 V CA -2.338 59.527 62.300 -0.725 0.000 0.858 289 V CB 0.641 31.985 31.823 -0.799 0.000 1.104 289 V HN -0.107 nan 8.190 nan 0.000 0.456 290 P HA 0.511 nan 4.420 nan 0.000 0.276 290 P C -0.671 176.301 177.300 -0.548 0.000 1.261 290 P CA -0.368 62.398 63.100 -0.557 0.000 0.800 290 P CB 1.857 33.217 31.700 -0.567 0.000 1.066 291 L N 0.147 121.225 121.223 -0.241 0.000 2.352 291 L HA 0.590 4.930 4.340 -0.000 0.000 0.269 291 L C 1.441 178.358 176.870 0.077 0.000 1.034 291 L CA -0.229 54.569 54.840 -0.070 0.000 0.806 291 L CB 0.642 42.693 42.059 -0.013 0.000 1.244 291 L HN 0.475 nan 8.230 nan 0.000 0.447 292 G N -0.085 108.791 108.800 0.127 0.000 2.611 292 G HA2 0.428 4.388 3.960 -0.000 0.000 0.273 292 G HA3 0.428 4.388 3.960 -0.000 0.000 0.273 292 G C -0.789 174.116 174.900 0.009 0.000 1.305 292 G CA -0.369 44.776 45.100 0.074 0.000 1.010 292 G HN 0.499 nan 8.290 nan 0.000 0.509 293 S N -1.406 114.273 115.700 -0.035 0.000 2.519 293 S HA 0.606 5.076 4.470 -0.000 0.000 0.309 293 S C -0.995 173.595 174.600 -0.017 0.000 1.100 293 S CA -0.520 57.683 58.200 0.006 0.000 1.059 293 S CB 1.697 64.911 63.200 0.022 0.000 1.008 293 S HN 0.815 nan 8.310 nan 0.000 0.478 294 V N 4.638 124.593 119.914 0.068 0.000 3.000 294 V HA 0.565 4.685 4.120 -0.000 0.000 0.300 294 V C -1.989 174.263 176.094 0.264 0.000 1.251 294 V CA -0.726 61.648 62.300 0.124 0.000 0.972 294 V CB 1.795 33.639 31.823 0.036 0.000 1.065 294 V HN 0.881 nan 8.190 nan 0.000 0.431 295 I N 5.076 125.812 120.570 0.278 0.000 2.406 295 I HA 0.531 4.701 4.170 -0.000 0.000 0.290 295 I C -0.277 176.076 176.117 0.392 0.000 0.999 295 I CA -0.624 60.858 61.300 0.303 0.000 1.124 295 I CB 1.792 39.910 38.000 0.196 0.000 1.289 295 I HN 0.505 nan 8.210 nan 0.000 0.441 296 K N 5.795 126.454 120.400 0.431 0.000 2.234 296 K HA 0.593 4.913 4.320 -0.000 0.000 0.277 296 K C -1.440 175.270 176.600 0.183 0.000 1.038 296 K CA -0.323 56.187 56.287 0.370 0.000 0.888 296 K CB 0.897 33.678 32.500 0.469 0.000 1.091 296 K HN 0.704 nan 8.250 nan 0.000 0.467 297 C N 5.154 124.522 119.300 0.113 0.000 2.455 297 C HA 0.596 5.056 4.460 -0.000 0.000 0.320 297 C C -0.750 174.277 174.990 0.062 0.000 1.226 297 C CA -1.088 57.990 59.018 0.100 0.000 1.569 297 C CB 0.088 27.992 27.740 0.273 0.000 2.200 297 C HN 0.736 nan 8.230 nan 0.000 0.491 298 I N 2.750 123.322 120.570 0.003 0.000 2.439 298 I HA 0.401 4.571 4.170 -0.000 0.000 0.285 298 I C -0.361 175.766 176.117 0.017 0.000 1.021 298 I CA -0.113 61.148 61.300 -0.065 0.000 1.091 298 I CB 1.479 39.385 38.000 -0.157 0.000 1.242 298 I HN 0.364 nan 8.210 nan 0.000 0.439 299 V N 6.695 126.629 119.914 0.034 0.000 2.394 299 V HA 0.379 4.499 4.120 -0.000 0.000 0.282 299 V C -0.614 175.346 176.094 -0.223 0.000 1.031 299 V CA -0.662 61.682 62.300 0.073 0.000 0.881 299 V CB 0.807 32.728 31.823 0.164 0.000 0.982 299 V HN 0.403 nan 8.190 nan 0.000 0.451 300 Y N 4.106 124.359 120.300 -0.079 0.000 2.387 300 Y HA 0.670 5.220 4.550 -0.000 0.000 0.330 300 Y C -0.262 175.493 175.900 -0.242 0.000 1.133 300 Y CA -0.416 57.680 58.100 -0.007 0.000 1.152 300 Y CB 1.371 39.923 38.460 0.153 0.000 1.215 300 Y HN 0.530 nan 8.280 nan 0.000 0.466 301 Y N -0.114 120.438 120.300 0.419 0.000 2.605 301 Y HA 0.295 4.845 4.550 -0.000 0.000 0.343 301 Y C 1.109 177.155 175.900 0.244 0.000 1.036 301 Y CA -1.401 56.913 58.100 0.356 0.000 1.065 301 Y CB 1.899 40.660 38.460 0.500 0.000 1.288 301 Y HN 0.496 nan 8.280 nan 0.000 0.481 302 K N 0.413 121.027 120.400 0.356 0.000 2.063 302 K HA -0.099 4.221 4.320 -0.000 0.000 0.208 302 K C -0.484 176.191 176.600 0.125 0.000 1.048 302 K CA 1.750 58.144 56.287 0.179 0.000 0.928 302 K CB 0.186 32.765 32.500 0.131 0.000 0.713 302 K HN 0.728 nan 8.250 nan 0.000 0.442 303 E N -1.158 119.135 120.200 0.154 0.000 2.408 303 E HA 0.204 4.554 4.350 -0.000 0.000 0.275 303 E C -2.689 173.799 176.600 -0.187 0.000 0.935 303 E CA -2.213 54.187 56.400 -0.001 0.000 0.775 303 E CB 2.312 32.000 29.700 -0.020 0.000 1.277 303 E HN -0.073 nan 8.360 nan 0.000 0.455 304 P HA 0.039 nan 4.420 nan 0.000 0.230 304 P C 0.235 176.641 177.300 -1.491 0.000 1.791 304 P CA -0.016 62.197 63.100 -1.477 0.000 1.020 304 P CB -0.857 30.262 31.700 -0.969 0.000 1.977 305 F N 0.060 119.463 119.950 -0.911 0.000 2.250 305 F HA -0.131 4.396 4.527 -0.000 0.000 0.301 305 F C 1.763 177.398 175.800 -0.276 0.000 1.077 305 F CA 0.063 57.810 58.000 -0.421 0.000 1.348 305 F CB -1.796 37.087 39.000 -0.195 0.000 1.040 305 F HN 0.133 nan 8.300 nan 0.000 0.509 306 W N 1.324 122.304 121.300 -0.532 0.000 2.374 306 W HA 0.010 4.670 4.660 0.000 0.000 0.288 306 W C 2.049 178.515 176.519 -0.088 0.000 1.218 306 W CA 0.932 58.149 57.345 -0.213 0.000 1.245 306 W CB -1.139 28.126 29.460 -0.325 0.000 1.126 306 W HN -0.126 nan 8.180 nan 0.000 0.545 307 R N 1.232 121.519 120.500 -0.354 0.000 2.120 307 R HA -0.088 4.252 4.340 -0.000 0.000 0.234 307 R C 2.081 178.295 176.300 -0.143 0.000 1.123 307 R CA 1.741 57.729 56.100 -0.187 0.000 0.975 307 R CB -0.425 29.706 30.300 -0.282 0.000 0.866 307 R HN 0.297 nan 8.270 nan 0.000 0.446 308 K N 0.622 120.933 120.400 -0.149 0.000 2.283 308 K HA -0.105 4.215 4.320 -0.000 0.000 0.202 308 K C 1.342 177.873 176.600 -0.114 0.000 1.048 308 K CA 0.952 57.178 56.287 -0.103 0.000 0.948 308 K CB 0.054 32.513 32.500 -0.067 0.000 0.742 308 K HN 0.129 nan 8.250 nan 0.000 0.458 309 K N 0.970 121.276 120.400 -0.157 0.000 2.437 309 K HA -0.029 4.291 4.320 -0.000 0.000 0.198 309 K C -0.518 175.750 176.600 -0.553 0.000 1.024 309 K CA 0.053 56.141 56.287 -0.333 0.000 1.148 309 K CB 0.255 32.533 32.500 -0.370 0.000 0.860 309 K HN 0.010 nan 8.250 nan 0.000 0.515 310 D N 0.215 120.435 120.400 -0.301 0.000 2.746 310 D HA -0.218 4.422 4.640 -0.000 0.000 0.236 310 D C -1.418 174.789 176.300 -0.155 0.000 1.129 310 D CA 0.896 54.775 54.000 -0.202 0.000 0.691 310 D CB -1.349 39.355 40.800 -0.161 0.000 1.077 310 D HN 0.332 nan 8.370 nan 0.000 0.432 311 Y N -0.873 119.461 120.300 0.057 0.000 2.352 311 Y HA 0.312 4.861 4.550 -0.000 0.000 0.339 311 Y C 2.041 178.015 175.900 0.124 0.000 0.992 311 Y CA -0.966 57.168 58.100 0.057 0.000 1.100 311 Y CB 1.266 39.768 38.460 0.068 0.000 1.192 311 Y HN 0.252 nan 8.280 nan 0.000 0.458 312 C N -0.854 118.562 119.300 0.194 0.000 2.468 312 C HA 0.390 4.850 4.460 -0.000 0.000 0.277 312 C C 1.759 176.799 174.990 0.084 0.000 1.400 312 C CA 0.673 59.776 59.018 0.141 0.000 1.770 312 C CB -0.965 26.787 27.740 0.019 0.000 1.905 312 C HN 1.232 nan 8.230 nan 0.000 0.519 313 G N -0.387 108.307 108.800 -0.177 0.000 2.211 313 G HA2 -0.126 3.834 3.960 -0.000 0.000 0.201 313 G HA3 -0.126 3.834 3.960 -0.000 0.000 0.201 313 G C 0.028 174.600 174.900 -0.546 0.000 0.997 313 G CA 0.173 44.870 45.100 -0.670 0.000 0.652 313 G HN 0.580 nan 8.290 nan 0.000 0.500 314 T N 2.378 116.707 114.554 -0.375 0.000 2.814 314 T HA 0.620 4.970 4.350 -0.000 0.000 0.297 314 T C 0.324 174.807 174.700 -0.362 0.000 0.956 314 T CA 0.575 62.431 62.100 -0.407 0.000 1.123 314 T CB 0.849 69.534 68.868 -0.305 0.000 0.902 314 T HN 0.303 nan 8.240 nan 0.000 0.528 315 M N 3.966 123.326 119.600 -0.399 0.000 2.326 315 M HA 0.498 4.978 4.480 -0.000 0.000 0.306 315 M C -0.893 175.370 176.300 -0.063 0.000 1.054 315 M CA -0.603 54.581 55.300 -0.194 0.000 0.922 315 M CB 2.224 34.700 32.600 -0.206 0.000 1.632 315 M HN 0.407 nan 8.290 nan 0.000 0.436 316 I N 4.610 125.298 120.570 0.196 0.000 2.354 316 I HA 0.441 4.611 4.170 -0.000 0.000 0.286 316 I C -0.868 175.501 176.117 0.421 0.000 1.007 316 I CA -0.334 61.189 61.300 0.371 0.000 1.167 316 I CB 0.934 39.178 38.000 0.406 0.000 1.320 316 I HN 0.608 nan 8.210 nan 0.000 0.458 317 I N 5.321 126.099 120.570 0.347 0.000 2.390 317 I HA 0.293 4.463 4.170 -0.000 0.000 0.283 317 I C -0.202 176.094 176.117 0.299 0.000 1.016 317 I CA -0.458 61.031 61.300 0.314 0.000 1.151 317 I CB 1.101 39.222 38.000 0.200 0.000 1.293 317 I HN 0.477 nan 8.210 nan 0.000 0.458 318 D N 4.509 125.092 120.400 0.306 0.000 2.312 318 D HA 0.629 5.269 4.640 -0.000 0.000 0.248 318 D C 0.222 176.638 176.300 0.193 0.000 1.086 318 D CA 0.626 54.770 54.000 0.239 0.000 0.948 318 D CB 2.018 42.950 40.800 0.220 0.000 1.162 318 D HN 0.792 nan 8.370 nan 0.000 0.446 319 G N 1.636 110.529 108.800 0.155 0.000 2.576 319 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.686 319 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.686 319 G C 0.449 175.422 174.900 0.123 0.000 1.242 319 G CA -0.000 45.176 45.100 0.127 0.000 0.819 319 G HN 0.428 nan 8.290 nan 0.000 0.655 320 E N 0.206 120.472 120.200 0.110 0.000 2.150 320 E HA -0.019 4.331 4.350 -0.000 0.000 0.193 320 E C 2.187 178.847 176.600 0.099 0.000 0.985 320 E CA 2.374 58.847 56.400 0.121 0.000 0.814 320 E CB -0.018 29.749 29.700 0.112 0.000 0.752 320 E HN 0.663 nan 8.360 nan 0.000 0.466 321 E N 0.509 120.759 120.200 0.083 0.000 2.150 321 E HA 0.035 4.385 4.350 -0.000 0.000 0.193 321 E C 0.495 177.126 176.600 0.051 0.000 0.985 321 E CA 0.940 57.377 56.400 0.063 0.000 0.814 321 E CB -0.393 29.343 29.700 0.060 0.000 0.752 321 E HN 0.270 nan 8.360 nan 0.000 0.466 322 A N 2.693 125.554 122.820 0.068 0.000 2.444 322 A HA 0.151 4.471 4.320 -0.000 0.000 0.273 322 A C -1.379 176.231 177.584 0.045 0.000 1.136 322 A CA -1.145 50.926 52.037 0.056 0.000 0.799 322 A CB 0.127 19.182 19.000 0.093 0.000 1.081 322 A HN 0.006 nan 8.150 nan 0.000 0.509 323 P HA -0.054 nan 4.420 nan 0.000 0.217 323 P C 0.277 177.608 177.300 0.052 0.000 1.150 323 P CA 1.009 64.114 63.100 0.010 0.000 0.832 323 P CB 0.083 31.770 31.700 -0.022 0.000 0.787 324 V N 0.045 120.008 119.914 0.081 0.000 2.459 324 V HA 0.478 4.598 4.120 -0.000 0.000 0.295 324 V C 1.157 177.366 176.094 0.193 0.000 1.029 324 V CA -0.094 62.302 62.300 0.160 0.000 0.874 324 V CB 1.358 33.301 31.823 0.200 0.000 0.985 324 V HN -0.018 nan 8.190 nan 0.000 0.438 325 A N 4.420 127.386 122.820 0.243 0.000 2.169 325 A HA 0.332 4.652 4.320 -0.000 0.000 0.210 325 A C 0.144 177.951 177.584 0.371 0.000 1.168 325 A CA 0.536 52.737 52.037 0.273 0.000 0.813 325 A CB 0.186 19.337 19.000 0.251 0.000 0.861 325 A HN 0.769 nan 8.150 nan 0.000 0.481 326 Y N -0.163 120.263 120.300 0.209 0.000 2.442 326 Y HA 0.460 5.010 4.550 -0.000 0.000 0.330 326 Y C -0.430 175.534 175.900 0.107 0.000 1.100 326 Y CA -0.350 57.860 58.100 0.183 0.000 1.034 326 Y CB 1.504 40.118 38.460 0.255 0.000 1.285 326 Y HN 0.128 nan 8.280 nan 0.000 0.440 327 T N 3.853 118.107 114.554 -0.500 0.000 2.906 327 T HA 0.876 5.226 4.350 -0.000 0.000 0.295 327 T C -1.538 172.773 174.700 -0.648 0.000 1.075 327 T CA -0.814 61.001 62.100 -0.474 0.000 1.005 327 T CB 1.917 70.490 68.868 -0.492 0.000 1.136 327 T HN 0.610 nan 8.240 nan 0.000 0.498 328 L N 0.955 121.918 121.223 -0.433 0.000 2.393 328 L HA 0.490 4.830 4.340 -0.000 0.000 0.260 328 L C -0.659 176.033 176.870 -0.297 0.000 1.002 328 L CA -1.253 53.383 54.840 -0.340 0.000 0.818 328 L CB 2.253 44.197 42.059 -0.192 0.000 1.369 328 L HN 0.747 nan 8.230 nan 0.000 0.412 329 D N 0.949 121.203 120.400 -0.244 0.000 2.487 329 D HA -0.051 4.589 4.640 -0.000 0.000 0.243 329 D C -0.292 176.022 176.300 0.023 0.000 1.154 329 D CA 0.660 54.588 54.000 -0.119 0.000 0.876 329 D CB 1.164 42.010 40.800 0.076 0.000 1.161 329 D HN 0.516 nan 8.370 nan 0.000 0.478 330 D N 1.820 122.240 120.400 0.032 0.000 2.501 330 D HA 0.073 4.713 4.640 -0.000 0.000 0.224 330 D C -0.346 176.031 176.300 0.128 0.000 1.202 330 D CA -0.171 53.874 54.000 0.076 0.000 0.829 330 D CB 0.404 41.189 40.800 -0.025 0.000 1.023 330 D HN 0.219 nan 8.370 nan 0.000 0.499 331 T N 1.573 116.243 114.554 0.192 0.000 2.946 331 T HA 0.016 4.366 4.350 -0.000 0.000 0.311 331 T C 0.521 175.292 174.700 0.118 0.000 1.063 331 T CA -0.092 62.120 62.100 0.186 0.000 1.139 331 T CB 0.760 69.746 68.868 0.196 0.000 0.994 331 T HN -0.067 nan 8.240 nan 0.000 0.547 332 K N 3.869 124.306 120.400 0.062 0.000 2.380 332 K HA 0.075 4.395 4.320 -0.000 0.000 0.267 332 K C -1.379 175.119 176.600 -0.170 0.000 0.990 332 K CA -1.894 54.337 56.287 -0.093 0.000 0.946 332 K CB 0.177 32.665 32.500 -0.021 0.000 0.937 332 K HN 0.337 nan 8.250 nan 0.000 0.491 333 P HA -0.135 nan 4.420 nan 0.000 0.219 333 P C 0.348 177.577 177.300 -0.119 0.000 1.146 333 P CA 1.352 64.250 63.100 -0.336 0.000 0.808 333 P CB 0.346 31.731 31.700 -0.525 0.000 0.779 334 E N -1.041 119.110 120.200 -0.082 0.000 2.418 334 E HA 0.125 4.475 4.350 -0.000 0.000 0.197 334 E C 1.575 178.167 176.600 -0.013 0.000 1.026 334 E CA 1.029 57.415 56.400 -0.023 0.000 0.862 334 E CB -0.756 28.951 29.700 0.011 0.000 0.799 334 E HN 0.319 nan 8.360 nan 0.000 0.518 335 G N 0.612 109.406 108.800 -0.010 0.000 2.176 335 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.232 335 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.232 335 G C 0.092 174.987 174.900 -0.008 0.000 0.986 335 G CA 0.216 45.309 45.100 -0.013 0.000 0.643 335 G HN 0.349 nan 8.290 nan 0.000 0.522 336 N N -0.637 118.076 118.700 0.023 0.000 2.671 336 N HA 0.537 5.277 4.740 -0.000 0.000 0.303 336 N C 0.509 176.100 175.510 0.135 0.000 1.277 336 N CA -0.877 52.163 53.050 -0.018 0.000 0.933 336 N CB -0.004 38.391 38.487 -0.154 0.000 1.190 336 N HN 0.610 nan 8.380 nan 0.000 0.600 337 Y N -2.604 117.730 120.300 0.056 0.000 3.078 337 Y HA -0.168 4.382 4.550 -0.000 0.000 0.202 337 Y C 0.583 176.617 175.900 0.222 0.000 1.322 337 Y CA 0.307 58.489 58.100 0.138 0.000 1.118 337 Y CB -2.325 36.184 38.460 0.081 0.000 1.343 337 Y HN 0.747 nan 8.280 nan 0.000 0.499 338 A N 0.375 123.359 122.820 0.274 0.000 2.567 338 A HA 0.560 4.880 4.320 -0.000 0.000 0.240 338 A C 0.728 178.567 177.584 0.425 0.000 1.053 338 A CA 0.617 52.834 52.037 0.300 0.000 0.755 338 A CB 0.109 19.218 19.000 0.181 0.000 0.978 338 A HN 1.485 nan 8.150 nan 0.000 0.507 339 A N 2.526 125.591 122.820 0.408 0.000 2.604 339 A HA 0.641 4.961 4.320 -0.000 0.000 0.295 339 A C -0.979 176.607 177.584 0.003 0.000 1.067 339 A CA -0.525 51.572 52.037 0.100 0.000 0.683 339 A CB 1.011 19.769 19.000 -0.403 0.000 1.281 339 A HN 0.708 nan 8.150 nan 0.000 0.407 340 I N 2.487 122.965 120.570 -0.154 0.000 2.406 340 I HA 0.385 4.555 4.170 -0.000 0.000 0.290 340 I C -0.288 175.685 176.117 -0.240 0.000 0.999 340 I CA -0.393 60.686 61.300 -0.369 0.000 1.124 340 I CB 1.691 39.326 38.000 -0.608 0.000 1.289 340 I HN 0.736 nan 8.210 nan 0.000 0.441 341 M N 5.568 125.021 119.600 -0.245 0.000 2.209 341 M HA 0.614 5.094 4.480 -0.000 0.000 0.355 341 M C -0.362 175.803 176.300 -0.226 0.000 1.171 341 M CA -0.180 55.004 55.300 -0.193 0.000 1.069 341 M CB 1.202 33.709 32.600 -0.156 0.000 1.622 341 M HN 0.716 nan 8.290 nan 0.000 0.459 342 G N 4.290 113.005 108.800 -0.142 0.000 2.563 342 G HA2 0.706 4.666 3.960 -0.000 0.000 0.302 342 G HA3 0.706 4.666 3.960 -0.000 0.000 0.302 342 G C -1.966 172.875 174.900 -0.099 0.000 1.301 342 G CA -0.533 44.526 45.100 -0.068 0.000 0.965 342 G HN 0.651 nan 8.290 nan 0.000 0.480 343 F N 0.574 120.669 119.950 0.243 0.000 2.427 343 F HA 0.483 5.010 4.527 0.000 0.000 0.346 343 F C 0.479 176.390 175.800 0.185 0.000 1.120 343 F CA -0.715 57.428 58.000 0.238 0.000 1.033 343 F CB 2.174 41.343 39.000 0.282 0.000 1.126 343 F HN 0.052 nan 8.300 nan 0.000 0.462 344 I N 5.435 126.214 120.570 0.348 0.000 2.304 344 I HA 0.274 4.444 4.170 -0.000 0.000 0.291 344 I C -0.690 175.520 176.117 0.154 0.000 1.018 344 I CA -0.324 61.097 61.300 0.202 0.000 1.260 344 I CB 0.802 38.888 38.000 0.143 0.000 1.390 344 I HN 0.392 nan 8.210 nan 0.000 0.475 345 L N 6.462 127.738 121.223 0.089 0.000 2.325 345 L HA 0.717 5.057 4.340 -0.000 0.000 0.278 345 L C 0.950 177.797 176.870 -0.038 0.000 1.023 345 L CA -0.197 54.658 54.840 0.024 0.000 0.811 345 L CB 1.535 43.615 42.059 0.035 0.000 1.249 345 L HN 0.896 nan 8.230 nan 0.000 0.431 346 A N 2.088 124.877 122.820 -0.052 0.000 5.308 346 A HA -0.369 3.951 4.320 -0.000 0.000 0.321 346 A C 1.708 179.293 177.584 0.001 0.000 1.849 346 A CA 1.594 53.608 52.037 -0.038 0.000 0.713 346 A CB -1.627 17.352 19.000 -0.035 0.000 1.360 346 A HN 1.090 nan 8.150 nan 0.000 0.384 347 H N 1.031 120.092 119.070 -0.014 0.000 2.456 347 H HA -0.012 4.544 4.556 -0.000 0.000 0.296 347 H C 1.701 177.045 175.328 0.028 0.000 1.079 347 H CA 1.857 57.912 56.048 0.013 0.000 1.322 347 H CB -0.357 29.421 29.762 0.026 0.000 1.388 347 H HN 0.731 nan 8.280 nan 0.000 0.538 348 K N 0.696 120.734 120.400 -0.603 0.000 2.148 348 K HA 0.054 4.374 4.320 -0.000 0.000 0.204 348 K C 2.593 179.123 176.600 -0.117 0.000 1.050 348 K CA 0.920 56.980 56.287 -0.378 0.000 0.942 348 K CB 0.025 32.333 32.500 -0.321 0.000 0.724 348 K HN 0.328 nan 8.250 nan 0.000 0.446 349 A N 1.806 124.591 122.820 -0.059 0.000 1.902 349 A HA -0.189 4.131 4.320 -0.000 0.000 0.217 349 A C 2.024 179.620 177.584 0.020 0.000 1.181 349 A CA 1.334 53.379 52.037 0.014 0.000 0.623 349 A CB -0.349 18.677 19.000 0.042 0.000 0.818 349 A HN 0.214 nan 8.150 nan 0.000 0.443 350 R N -0.519 119.992 120.500 0.018 0.000 2.075 350 R HA -0.080 4.260 4.340 -0.000 0.000 0.232 350 R C 2.360 178.678 176.300 0.029 0.000 1.126 350 R CA 1.458 57.578 56.100 0.033 0.000 0.963 350 R CB -0.309 30.021 30.300 0.051 0.000 0.858 350 R HN 0.562 nan 8.270 nan 0.000 0.435 351 K N 1.247 121.659 120.400 0.020 0.000 2.025 351 K HA -0.074 4.246 4.320 -0.000 0.000 0.207 351 K C 1.839 178.447 176.600 0.015 0.000 1.049 351 K CA 1.148 57.449 56.287 0.024 0.000 0.933 351 K CB 0.059 32.574 32.500 0.025 0.000 0.714 351 K HN 0.126 nan 8.250 nan 0.000 0.438 352 L N 0.226 121.453 121.223 0.006 0.000 2.558 352 L HA 0.095 4.435 4.340 -0.000 0.000 0.225 352 L C 2.182 179.066 176.870 0.024 0.000 1.128 352 L CA 0.206 55.054 54.840 0.012 0.000 0.868 352 L CB -0.072 41.992 42.059 0.009 0.000 1.006 352 L HN 0.184 nan 8.230 nan 0.000 0.454 353 A N 0.430 123.266 122.820 0.027 0.000 2.067 353 A HA -0.138 4.182 4.320 -0.000 0.000 0.219 353 A C 2.363 179.960 177.584 0.022 0.000 1.158 353 A CA 0.985 53.039 52.037 0.029 0.000 0.661 353 A CB -0.328 18.689 19.000 0.028 0.000 0.801 353 A HN 0.335 nan 8.150 nan 0.000 0.452 354 R N -0.626 119.885 120.500 0.019 0.000 2.148 354 R HA 0.060 4.400 4.340 -0.000 0.000 0.227 354 R C 0.179 176.488 176.300 0.014 0.000 1.103 354 R CA 0.287 56.396 56.100 0.015 0.000 0.983 354 R CB -0.441 29.868 30.300 0.015 0.000 0.874 354 R HN 0.452 nan 8.270 nan 0.000 0.451 355 L N 0.530 121.762 121.223 0.015 0.000 2.475 355 L HA 0.105 4.445 4.340 -0.000 0.000 0.253 355 L C 1.073 177.954 176.870 0.018 0.000 1.198 355 L CA -0.480 54.367 54.840 0.012 0.000 0.814 355 L CB 0.367 42.430 42.059 0.007 0.000 1.134 355 L HN 0.114 nan 8.230 nan 0.000 0.478 356 T N -2.863 111.700 114.554 0.014 0.000 2.788 356 T HA 0.109 4.459 4.350 -0.000 0.000 0.287 356 T C 0.896 175.618 174.700 0.037 0.000 1.007 356 T CA -0.636 61.477 62.100 0.022 0.000 1.005 356 T CB 1.192 70.069 68.868 0.015 0.000 1.012 356 T HN 0.662 nan 8.240 nan 0.000 0.530 357 K N 0.286 120.722 120.400 0.062 0.000 2.063 357 K HA -0.204 4.116 4.320 -0.000 0.000 0.208 357 K C 1.975 178.614 176.600 0.064 0.000 1.048 357 K CA 1.910 58.272 56.287 0.126 0.000 0.928 357 K CB -0.230 32.357 32.500 0.144 0.000 0.713 357 K HN 0.688 nan 8.250 nan 0.000 0.442 358 E N 0.755 120.966 120.200 0.018 0.000 2.077 358 E HA -0.161 4.189 4.350 -0.000 0.000 0.193 358 E C 1.815 178.371 176.600 -0.074 0.000 0.989 358 E CA 1.452 57.830 56.400 -0.036 0.000 0.800 358 E CB 0.006 29.698 29.700 -0.014 0.000 0.746 358 E HN 0.401 nan 8.360 nan 0.000 0.452 359 E N 0.112 120.286 120.200 -0.044 0.000 2.106 359 E HA -0.119 4.231 4.350 -0.000 0.000 0.192 359 E C 2.133 178.687 176.600 -0.076 0.000 0.984 359 E CA 0.654 57.024 56.400 -0.049 0.000 0.806 359 E CB -0.011 29.675 29.700 -0.023 0.000 0.750 359 E HN 0.125 nan 8.360 nan 0.000 0.458 360 R N 0.259 120.717 120.500 -0.071 0.000 2.073 360 R HA -0.103 4.237 4.340 -0.000 0.000 0.229 360 R C 2.450 178.601 176.300 -0.247 0.000 1.120 360 R CA 0.636 56.683 56.100 -0.088 0.000 0.967 360 R CB -0.285 30.029 30.300 0.024 0.000 0.862 360 R HN 0.116 nan 8.270 nan 0.000 0.436 361 L N 1.809 122.770 121.223 -0.438 0.000 2.012 361 L HA -0.213 4.127 4.340 -0.000 0.000 0.210 361 L C 2.163 178.820 176.870 -0.354 0.000 1.073 361 L CA 1.908 56.341 54.840 -0.680 0.000 0.748 361 L CB -0.458 41.161 42.059 -0.734 0.000 0.891 361 L HN -0.013 nan 8.230 nan 0.000 0.431 362 K N -0.566 119.700 120.400 -0.224 0.000 2.032 362 K HA -0.219 4.101 4.320 -0.000 0.000 0.209 362 K C 2.205 178.719 176.600 -0.143 0.000 1.048 362 K CA 1.717 57.918 56.287 -0.143 0.000 0.927 362 K CB -0.092 32.351 32.500 -0.094 0.000 0.712 362 K HN 0.323 nan 8.250 nan 0.000 0.441 363 K N 0.196 120.508 120.400 -0.147 0.000 2.063 363 K HA -0.163 4.157 4.320 -0.000 0.000 0.208 363 K C 2.111 178.578 176.600 -0.221 0.000 1.048 363 K CA 1.195 57.398 56.287 -0.140 0.000 0.928 363 K CB -0.124 32.313 32.500 -0.105 0.000 0.713 363 K HN 0.059 nan 8.250 nan 0.000 0.442 364 L N 0.751 121.789 121.223 -0.308 0.000 2.056 364 L HA -0.199 4.141 4.340 -0.000 0.000 0.207 364 L C 2.466 178.919 176.870 -0.695 0.000 1.078 364 L CA 1.507 56.005 54.840 -0.570 0.000 0.749 364 L CB -0.664 41.101 42.059 -0.489 0.000 0.901 364 L HN 0.229 nan 8.230 nan 0.000 0.433 365 C N -0.747 118.362 119.300 -0.319 0.000 2.429 365 C HA -0.146 4.314 4.460 -0.000 0.000 0.277 365 C C 2.638 177.604 174.990 -0.041 0.000 1.262 365 C CA 0.548 59.523 59.018 -0.071 0.000 1.733 365 C CB -0.748 27.003 27.740 0.017 0.000 2.010 365 C HN 0.546 nan 8.230 nan 0.000 0.483 366 E N 0.328 120.475 120.200 -0.087 0.000 2.110 366 E HA -0.218 4.132 4.350 -0.000 0.000 0.193 366 E C 1.989 178.555 176.600 -0.057 0.000 0.988 366 E CA 0.968 57.338 56.400 -0.050 0.000 0.804 366 E CB -0.262 29.408 29.700 -0.050 0.000 0.745 366 E HN 0.528 nan 8.360 nan 0.000 0.458 367 L N 0.270 121.412 121.223 -0.135 0.000 2.017 367 L HA -0.198 4.142 4.340 -0.000 0.000 0.208 367 L C 2.001 178.871 176.870 0.000 0.000 1.073 367 L CA 1.725 56.494 54.840 -0.118 0.000 0.745 367 L CB -0.534 41.412 42.059 -0.189 0.000 0.894 367 L HN 0.194 nan 8.230 nan 0.000 0.432 368 Y N -0.797 119.488 120.300 -0.025 0.000 2.242 368 Y HA -0.203 4.347 4.550 -0.000 0.000 0.291 368 Y C 2.536 178.447 175.900 0.019 0.000 1.137 368 Y CA 0.246 58.336 58.100 -0.017 0.000 1.181 368 Y CB -0.472 38.016 38.460 0.046 0.000 0.989 368 Y HN 0.383 nan 8.280 nan 0.000 0.527 369 A N 0.613 123.546 122.820 0.188 0.000 1.908 369 A HA -0.217 4.103 4.320 -0.000 0.000 0.218 369 A C 2.155 179.787 177.584 0.081 0.000 1.181 369 A CA 1.703 53.813 52.037 0.122 0.000 0.627 369 A CB -0.491 18.552 19.000 0.073 0.000 0.818 369 A HN 0.335 nan 8.150 nan 0.000 0.445 370 K N -0.584 119.840 120.400 0.041 0.000 2.002 370 K HA -0.083 4.237 4.320 -0.000 0.000 0.209 370 K C 1.964 178.558 176.600 -0.009 0.000 1.048 370 K CA 1.627 57.923 56.287 0.015 0.000 0.930 370 K CB -0.364 32.122 32.500 -0.024 0.000 0.714 370 K HN 0.321 nan 8.250 nan 0.000 0.438 371 V N 1.593 121.446 119.914 -0.101 0.000 2.358 371 V HA -0.189 3.931 4.120 -0.000 0.000 0.246 371 V C 2.082 178.127 176.094 -0.081 0.000 1.047 371 V CA 1.452 63.652 62.300 -0.168 0.000 1.035 371 V CB -0.296 31.379 31.823 -0.246 0.000 0.658 371 V HN 0.268 nan 8.190 nan 0.000 0.452 372 L N 0.400 121.609 121.223 -0.022 0.000 2.558 372 L HA 0.297 4.637 4.340 -0.000 0.000 0.225 372 L C 1.626 178.617 176.870 0.202 0.000 1.128 372 L CA 0.736 55.596 54.840 0.034 0.000 0.868 372 L CB -0.648 41.513 42.059 0.170 0.000 1.006 372 L HN 0.533 nan 8.230 nan 0.000 0.454 373 G N 0.825 109.711 108.800 0.142 0.000 2.338 373 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.296 373 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.296 373 G C -0.088 174.902 174.900 0.149 0.000 1.040 373 G CA 0.457 45.642 45.100 0.142 0.000 1.004 373 G HN 0.338 nan 8.290 nan 0.000 0.509 374 S N -0.847 114.936 115.700 0.139 0.000 2.672 374 S HA 0.480 4.950 4.470 -0.000 0.000 0.291 374 S C 1.158 175.739 174.600 -0.033 0.000 1.145 374 S CA -0.781 57.462 58.200 0.073 0.000 1.013 374 S CB 1.812 65.116 63.200 0.173 0.000 1.017 374 S HN 0.238 nan 8.310 nan 0.000 0.487 375 L N 1.873 123.052 121.223 -0.072 0.000 2.275 375 L HA -0.075 4.265 4.340 -0.000 0.000 0.215 375 L C 2.166 178.932 176.870 -0.174 0.000 1.119 375 L CA 1.170 55.960 54.840 -0.084 0.000 0.790 375 L CB -0.329 41.695 42.059 -0.058 0.000 0.919 375 L HN 0.702 nan 8.230 nan 0.000 0.443 376 E N 0.395 120.362 120.200 -0.387 0.000 2.204 376 E HA -0.186 4.164 4.350 -0.000 0.000 0.195 376 E C 2.245 178.481 176.600 -0.606 0.000 0.990 376 E CA 0.911 56.930 56.400 -0.634 0.000 0.821 376 E CB -0.101 28.896 29.700 -1.172 0.000 0.750 376 E HN 0.503 nan 8.360 nan 0.000 0.477 377 A N 0.673 123.225 122.820 -0.447 0.000 2.125 377 A HA -0.104 4.216 4.320 -0.000 0.000 0.219 377 A C 1.884 179.647 177.584 0.299 0.000 1.156 377 A CA 0.782 52.858 52.037 0.066 0.000 0.671 377 A CB -0.315 18.853 19.000 0.280 0.000 0.794 377 A HN 0.173 nan 8.150 nan 0.000 0.459 378 L N -1.288 120.011 121.223 0.126 0.000 2.591 378 L HA 0.124 4.464 4.340 -0.000 0.000 0.228 378 L C 0.343 177.292 176.870 0.131 0.000 1.133 378 L CA 0.251 55.160 54.840 0.116 0.000 0.880 378 L CB 0.034 42.118 42.059 0.042 0.000 1.033 378 L HN 0.205 nan 8.230 nan 0.000 0.450 379 E N 0.885 121.208 120.200 0.206 0.000 3.406 379 E HA 0.191 4.541 4.350 -0.000 0.000 0.210 379 E C -2.257 174.493 176.600 0.249 0.000 1.167 379 E CA -1.733 54.773 56.400 0.177 0.000 1.132 379 E CB 0.660 30.427 29.700 0.110 0.000 1.309 379 E HN 0.035 nan 8.360 nan 0.000 0.424 380 P HA -0.033 nan 4.420 nan 0.000 0.271 380 P C 0.796 178.117 177.300 0.035 0.000 1.218 380 P CA -0.079 62.971 63.100 -0.083 0.000 0.780 380 P CB 1.617 33.233 31.700 -0.140 0.000 0.901 381 V N -1.550 118.404 119.914 0.066 0.000 3.471 381 V HA 0.275 4.395 4.120 -0.000 0.000 0.258 381 V C 0.513 176.730 176.094 0.206 0.000 1.192 381 V CA 0.896 63.274 62.300 0.129 0.000 1.116 381 V CB -1.181 30.722 31.823 0.133 0.000 0.792 381 V HN 0.654 nan 8.190 nan 0.000 0.459 382 H N -1.232 117.898 119.070 0.100 0.000 3.003 382 H HA 0.629 5.185 4.556 -0.000 0.000 0.327 382 H C -2.272 173.257 175.328 0.335 0.000 1.353 382 H CA -0.828 55.298 56.048 0.128 0.000 1.142 382 H CB 1.974 31.702 29.762 -0.056 0.000 1.864 382 H HN 0.153 nan 8.280 nan 0.000 0.529 383 Y N 1.654 121.683 120.300 -0.451 0.000 2.441 383 Y HA 0.497 5.047 4.550 -0.000 0.000 0.334 383 Y C -1.681 174.070 175.900 -0.248 0.000 1.061 383 Y CA -0.620 57.381 58.100 -0.165 0.000 1.032 383 Y CB 1.661 40.051 38.460 -0.117 0.000 1.266 383 Y HN 0.608 nan 8.280 nan 0.000 0.441 384 E N 4.606 124.517 120.200 -0.481 0.000 2.293 384 E HA 0.416 4.766 4.350 -0.000 0.000 0.270 384 E C -1.462 174.776 176.600 -0.602 0.000 0.879 384 E CA -0.785 55.357 56.400 -0.429 0.000 0.756 384 E CB 2.799 32.486 29.700 -0.021 0.000 1.208 384 E HN 0.782 nan 8.360 nan 0.000 0.428 385 E N 0.512 120.460 120.200 -0.420 0.000 2.412 385 E HA 0.670 5.020 4.350 -0.000 0.000 0.279 385 E C -1.248 175.304 176.600 -0.080 0.000 0.984 385 E CA -1.068 55.187 56.400 -0.243 0.000 0.788 385 E CB 2.570 32.104 29.700 -0.276 0.000 1.277 385 E HN 0.178 nan 8.360 nan 0.000 0.455 386 K N 1.366 121.769 120.400 0.006 0.000 2.581 386 K HA 0.285 4.605 4.320 -0.000 0.000 0.249 386 K C -1.667 174.907 176.600 -0.043 0.000 0.966 386 K CA -0.713 55.524 56.287 -0.084 0.000 0.811 386 K CB 1.477 33.892 32.500 -0.141 0.000 1.223 386 K HN 0.512 nan 8.250 nan 0.000 0.438 387 N N 3.971 122.604 118.700 -0.111 0.000 2.420 387 N HA 0.130 4.870 4.740 -0.000 0.000 0.249 387 N C -0.338 175.114 175.510 -0.096 0.000 1.033 387 N CA -0.402 52.642 53.050 -0.009 0.000 0.944 387 N CB 0.402 38.891 38.487 0.003 0.000 1.113 387 N HN 0.655 nan 8.380 nan 0.000 0.502 388 W N 2.187 123.528 121.300 0.068 0.000 2.905 388 W HA 0.104 4.764 4.660 -0.000 0.000 0.251 388 W C 1.915 178.454 176.519 0.032 0.000 1.305 388 W CA -0.126 57.253 57.345 0.058 0.000 1.465 388 W CB -0.098 29.414 29.460 0.086 0.000 1.122 388 W HN 0.592 nan 8.180 nan 0.000 0.659 389 C N 0.469 119.877 119.300 0.181 0.000 2.432 389 C HA -0.156 4.304 4.460 -0.000 0.000 0.282 389 C C 2.330 177.349 174.990 0.048 0.000 1.388 389 C CA 1.410 60.490 59.018 0.104 0.000 1.777 389 C CB -1.453 26.332 27.740 0.074 0.000 1.882 389 C HN 0.492 nan 8.230 nan 0.000 0.520 390 E N 0.828 121.035 120.200 0.012 0.000 2.489 390 E HA 0.003 4.353 4.350 -0.000 0.000 0.193 390 E C -0.091 176.481 176.600 -0.046 0.000 1.057 390 E CA 0.331 56.713 56.400 -0.029 0.000 0.866 390 E CB -0.177 29.491 29.700 -0.053 0.000 0.916 390 E HN 0.503 nan 8.360 nan 0.000 0.500 391 E N 2.209 122.400 120.200 -0.015 0.000 2.129 391 E HA -0.022 4.328 4.350 -0.000 0.000 0.283 391 E C 0.488 177.073 176.600 -0.025 0.000 1.080 391 E CA 0.013 56.408 56.400 -0.008 0.000 0.867 391 E CB 1.517 31.266 29.700 0.082 0.000 1.056 391 E HN 0.358 nan 8.360 nan 0.000 0.404 392 Q N 3.003 122.726 119.800 -0.127 0.000 2.135 392 Q HA -0.193 4.147 4.340 -0.000 0.000 0.204 392 Q C 0.331 176.094 176.000 -0.395 0.000 0.981 392 Q CA 1.617 57.228 55.803 -0.319 0.000 0.856 392 Q CB 0.095 28.521 28.738 -0.520 0.000 0.902 392 Q HN 0.597 nan 8.270 nan 0.000 0.425 393 Y N -0.958 119.369 120.300 0.046 0.000 2.571 393 Y HA 0.268 4.818 4.550 -0.000 0.000 0.275 393 Y C 1.407 177.365 175.900 0.097 0.000 1.179 393 Y CA -0.334 57.802 58.100 0.061 0.000 1.242 393 Y CB 0.916 39.405 38.460 0.049 0.000 1.126 393 Y HN 0.074 nan 8.280 nan 0.000 0.524 394 S N -1.594 114.228 115.700 0.203 0.000 3.039 394 S HA 0.297 4.767 4.470 -0.000 0.000 0.251 394 S C 1.796 176.476 174.600 0.133 0.000 1.064 394 S CA 0.535 58.861 58.200 0.210 0.000 0.822 394 S CB 0.578 63.984 63.200 0.343 0.000 0.802 394 S HN 0.509 nan 8.310 nan 0.000 0.519 395 G N 1.052 109.914 108.800 0.103 0.000 2.199 395 G HA2 0.113 4.073 3.960 -0.000 0.000 0.254 395 G HA3 0.113 4.073 3.960 -0.000 0.000 0.254 395 G C 0.507 175.450 174.900 0.072 0.000 0.982 395 G CA 0.118 45.249 45.100 0.051 0.000 0.632 395 G HN 1.394 nan 8.290 nan 0.000 0.529 396 G N -2.356 106.528 108.800 0.140 0.000 2.350 396 G HA2 0.509 4.469 3.960 -0.000 0.000 0.282 396 G HA3 0.509 4.469 3.960 -0.000 0.000 0.282 396 G C -0.912 174.068 174.900 0.134 0.000 1.314 396 G CA 0.292 45.481 45.100 0.149 0.000 0.915 396 G HN 1.517 nan 8.290 nan 0.000 0.499 397 C N -1.683 117.647 119.300 0.051 0.000 3.307 397 C HA 0.583 5.043 4.460 -0.000 0.000 0.333 397 C C 0.761 175.620 174.990 -0.218 0.000 1.291 397 C CA -0.647 58.335 59.018 -0.061 0.000 1.273 397 C CB 0.734 28.350 27.740 -0.206 0.000 1.580 397 C HN 0.737 nan 8.230 nan 0.000 0.481 398 Y N 0.619 120.852 120.300 -0.112 0.000 2.337 398 Y HA 0.234 4.784 4.550 -0.000 0.000 0.293 398 Y C 1.562 177.423 175.900 -0.065 0.000 1.123 398 Y CA 1.172 59.175 58.100 -0.162 0.000 1.201 398 Y CB -0.406 37.930 38.460 -0.207 0.000 1.011 398 Y HN 0.686 nan 8.280 nan 0.000 0.545 399 T N -1.909 112.720 114.554 0.125 0.000 2.711 399 T HA 0.325 4.675 4.350 -0.000 0.000 0.302 399 T C -0.820 173.974 174.700 0.157 0.000 1.373 399 T CA -0.717 61.494 62.100 0.185 0.000 1.000 399 T CB 1.011 70.076 68.868 0.329 0.000 1.483 399 T HN -0.150 nan 8.240 nan 0.000 0.499 400 T N 2.748 117.405 114.554 0.171 0.000 2.870 400 T HA 0.456 4.806 4.350 -0.000 0.000 0.300 400 T C -0.751 173.960 174.700 0.017 0.000 0.989 400 T CA 0.124 62.230 62.100 0.010 0.000 1.139 400 T CB -0.427 68.436 68.868 -0.008 0.000 0.920 400 T HN 0.467 nan 8.240 nan 0.000 0.537 401 Y N 0.995 121.074 120.300 -0.369 0.000 2.528 401 Y HA 0.792 5.342 4.550 -0.000 0.000 0.335 401 Y C -1.251 174.084 175.900 -0.942 0.000 1.093 401 Y CA -2.260 55.269 58.100 -0.953 0.000 1.134 401 Y CB 0.782 38.822 38.460 -0.699 0.000 1.253 401 Y HN 0.404 nan 8.280 nan 0.000 0.478 402 F N 3.098 122.291 119.950 -1.261 0.000 2.402 402 F HA 0.573 5.100 4.527 -0.000 0.000 0.355 402 F C -2.317 173.380 175.800 -0.171 0.000 1.123 402 F CA -2.682 54.950 58.000 -0.614 0.000 1.021 402 F CB 1.564 40.252 39.000 -0.521 0.000 1.160 402 F HN 0.359 nan 8.300 nan 0.000 0.451 403 P HA 0.140 nan 4.420 nan 0.000 0.273 403 P C -2.575 174.824 177.300 0.164 0.000 1.250 403 P CA -1.291 61.890 63.100 0.135 0.000 0.793 403 P CB -0.126 31.605 31.700 0.053 0.000 1.011 404 P HA -0.021 nan 4.420 nan 0.000 0.264 404 P C 0.888 178.278 177.300 0.149 0.000 1.193 404 P CA 1.228 64.427 63.100 0.165 0.000 0.763 404 P CB -0.076 31.704 31.700 0.133 0.000 0.810 405 G N 2.914 111.815 108.800 0.168 0.000 2.217 405 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.246 405 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.246 405 G C 0.775 175.789 174.900 0.190 0.000 0.990 405 G CA 0.073 45.263 45.100 0.150 0.000 0.627 405 G HN 0.427 nan 8.290 nan 0.000 0.522 406 I N 0.195 120.912 120.570 0.245 0.000 2.429 406 I HA 0.181 4.351 4.170 -0.000 0.000 0.247 406 I C 2.625 178.980 176.117 0.397 0.000 1.099 406 I CA 1.202 62.709 61.300 0.345 0.000 1.422 406 I CB -1.249 36.896 38.000 0.242 0.000 1.112 406 I HN 0.262 nan 8.210 nan 0.000 0.430 407 L N 1.218 122.643 121.223 0.337 0.000 2.042 407 L HA -0.215 4.125 4.340 -0.000 0.000 0.210 407 L C 2.633 179.564 176.870 0.102 0.000 1.076 407 L CA 2.534 57.438 54.840 0.106 0.000 0.749 407 L CB -0.980 41.049 42.059 -0.050 0.000 0.893 407 L HN 0.430 nan 8.230 nan 0.000 0.432 408 T N -4.186 110.440 114.554 0.121 0.000 2.867 408 T HA -0.141 4.209 4.350 -0.000 0.000 0.268 408 T C 1.791 176.446 174.700 -0.075 0.000 1.057 408 T CA 0.955 63.099 62.100 0.073 0.000 1.136 408 T CB -0.303 68.615 68.868 0.082 0.000 0.874 408 T HN 0.353 nan 8.240 nan 0.000 0.466 409 Q N -0.131 119.618 119.800 -0.085 0.000 2.212 409 Q HA 0.131 4.471 4.340 -0.000 0.000 0.199 409 Q C 1.094 176.770 176.000 -0.539 0.000 0.950 409 Q CA 1.129 56.735 55.803 -0.328 0.000 0.863 409 Q CB 0.031 28.545 28.738 -0.373 0.000 0.944 409 Q HN 0.768 nan 8.270 nan 0.000 0.465 410 Y N -1.677 118.557 120.300 -0.110 0.000 2.471 410 Y HA 0.268 4.818 4.550 -0.000 0.000 0.249 410 Y C 2.014 177.797 175.900 -0.196 0.000 1.116 410 Y CA 0.084 58.105 58.100 -0.131 0.000 1.240 410 Y CB 0.273 38.700 38.460 -0.055 0.000 1.251 410 Y HN 0.085 nan 8.280 nan 0.000 0.527 411 G N 1.619 110.332 108.800 -0.146 0.000 2.442 411 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.219 411 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.219 411 G C 1.728 176.175 174.900 -0.755 0.000 1.141 411 G CA 1.060 45.983 45.100 -0.295 0.000 0.763 411 G HN 0.405 nan 8.290 nan 0.000 0.554 412 R N 0.032 119.779 120.500 -1.255 0.000 2.285 412 R HA 0.135 4.475 4.340 -0.000 0.000 0.213 412 R C 1.663 177.722 176.300 -0.402 0.000 1.068 412 R CA 0.861 56.284 56.100 -1.128 0.000 1.004 412 R CB -0.491 29.172 30.300 -1.062 0.000 0.873 412 R HN 0.249 nan 8.270 nan 0.000 0.467 413 V N 1.176 120.916 119.914 -0.290 0.000 3.506 413 V HA 0.010 4.130 4.120 -0.000 0.000 0.263 413 V C 2.153 178.153 176.094 -0.158 0.000 1.203 413 V CA 0.345 62.542 62.300 -0.171 0.000 1.133 413 V CB -0.136 31.605 31.823 -0.136 0.000 0.802 413 V HN 0.274 nan 8.190 nan 0.000 0.459 414 L N 0.772 121.937 121.223 -0.096 0.000 1.997 414 L HA -0.224 4.116 4.340 -0.000 0.000 0.216 414 L C 2.353 179.182 176.870 -0.069 0.000 1.074 414 L CA 2.491 57.302 54.840 -0.049 0.000 0.763 414 L CB -0.237 41.890 42.059 0.113 0.000 0.890 414 L HN 0.450 nan 8.230 nan 0.000 0.434 415 R N -0.829 119.717 120.500 0.077 0.000 2.546 415 R HA 0.153 4.493 4.340 -0.000 0.000 0.320 415 R C 0.483 176.924 176.300 0.234 0.000 1.021 415 R CA -0.229 55.995 56.100 0.207 0.000 1.088 415 R CB -0.056 30.424 30.300 0.301 0.000 1.278 415 R HN 0.230 nan 8.270 nan 0.000 0.557 416 Q N 2.692 122.557 119.800 0.109 0.000 2.286 416 Q HA 0.203 4.543 4.340 -0.000 0.000 0.267 416 Q C -2.110 173.998 176.000 0.179 0.000 1.028 416 Q CA -2.121 53.747 55.803 0.108 0.000 0.901 416 Q CB 0.890 29.638 28.738 0.016 0.000 1.183 416 Q HN 0.033 nan 8.270 nan 0.000 0.392 417 P HA -0.037 nan 4.420 nan 0.000 0.268 417 P C -1.252 176.043 177.300 -0.009 0.000 1.205 417 P CA -0.060 62.990 63.100 -0.085 0.000 0.771 417 P CB 0.662 32.071 31.700 -0.486 0.000 0.858 418 V N 3.423 123.343 119.914 0.009 0.000 2.275 418 V HA 0.148 4.268 4.120 -0.000 0.000 0.272 418 V C 0.706 176.758 176.094 -0.070 0.000 1.028 418 V CA 0.140 62.442 62.300 0.003 0.000 0.810 418 V CB -0.024 31.841 31.823 0.070 0.000 1.043 418 V HN 0.774 nan 8.190 nan 0.000 0.453 419 D N 4.039 124.402 120.400 -0.062 0.000 4.438 419 D HA -0.302 4.338 4.640 -0.000 0.000 0.158 419 D C 1.349 177.628 176.300 -0.035 0.000 0.686 419 D CA 2.401 56.383 54.000 -0.030 0.000 1.183 419 D CB -0.301 40.496 40.800 -0.005 0.000 0.623 419 D HN 0.563 nan 8.370 nan 0.000 0.521 420 R N -0.125 120.381 120.500 0.009 0.000 2.468 420 R HA 0.450 4.790 4.340 -0.000 0.000 0.280 420 R C -0.211 176.172 176.300 0.138 0.000 0.963 420 R CA -0.160 56.038 56.100 0.163 0.000 1.083 420 R CB 0.449 30.806 30.300 0.095 0.000 1.200 420 R HN 0.289 nan 8.270 nan 0.000 0.541 421 I N 1.145 121.646 120.570 -0.115 0.000 2.331 421 I HA 0.229 4.399 4.170 -0.000 0.000 0.292 421 I C -0.600 175.165 176.117 -0.587 0.000 0.998 421 I CA -0.675 60.479 61.300 -0.244 0.000 1.267 421 I CB 0.723 38.553 38.000 -0.283 0.000 1.386 421 I HN -0.085 nan 8.210 nan 0.000 0.476 422 Y N 5.227 125.293 120.300 -0.389 0.000 2.487 422 Y HA 0.537 5.087 4.550 -0.000 0.000 0.337 422 Y C -0.542 175.062 175.900 -0.493 0.000 1.076 422 Y CA -0.703 57.203 58.100 -0.323 0.000 1.115 422 Y CB 1.571 39.958 38.460 -0.121 0.000 1.235 422 Y HN 0.284 nan 8.280 nan 0.000 0.468 423 F N 1.441 121.499 119.950 0.181 0.000 2.402 423 F HA 0.718 5.245 4.527 -0.000 0.000 0.355 423 F C 0.413 176.290 175.800 0.128 0.000 1.123 423 F CA -0.550 57.529 58.000 0.132 0.000 1.021 423 F CB 1.090 40.151 39.000 0.102 0.000 1.160 423 F HN 0.599 nan 8.300 nan 0.000 0.451 424 A N 2.244 125.214 122.820 0.252 0.000 3.521 424 A HA 0.964 5.284 4.320 -0.000 0.000 0.181 424 A C 0.315 178.026 177.584 0.212 0.000 1.386 424 A CA -0.452 51.697 52.037 0.187 0.000 0.873 424 A CB 0.136 19.204 19.000 0.113 0.000 1.634 424 A HN 1.489 nan 8.150 nan 0.000 0.551 425 G N -2.403 106.502 108.800 0.174 0.000 2.785 425 G HA2 0.099 4.059 3.960 -0.000 0.000 0.686 425 G HA3 0.099 4.059 3.960 -0.000 0.000 0.686 425 G C 0.432 175.459 174.900 0.211 0.000 1.155 425 G CA 0.623 45.832 45.100 0.183 0.000 0.760 425 G HN 1.598 nan 8.290 nan 0.000 0.624 426 T N 0.177 114.857 114.554 0.210 0.000 2.849 426 T HA -0.109 4.241 4.350 -0.000 0.000 0.270 426 T C 2.080 176.976 174.700 0.327 0.000 1.066 426 T CA 2.690 64.941 62.100 0.252 0.000 1.130 426 T CB -0.165 68.847 68.868 0.239 0.000 0.864 426 T HN 0.619 nan 8.240 nan 0.000 0.481 427 E N 0.464 120.862 120.200 0.330 0.000 2.265 427 E HA -0.048 4.302 4.350 -0.000 0.000 0.196 427 E C 2.221 179.071 176.600 0.416 0.000 0.996 427 E CA 1.461 58.107 56.400 0.409 0.000 0.832 427 E CB -0.161 29.744 29.700 0.341 0.000 0.756 427 E HN 0.702 nan 8.360 nan 0.000 0.491 428 T N -2.509 112.254 114.554 0.349 0.000 3.086 428 T HA 0.456 4.806 4.350 -0.000 0.000 0.250 428 T C 0.803 175.734 174.700 0.386 0.000 1.074 428 T CA -0.003 62.305 62.100 0.346 0.000 0.988 428 T CB 0.200 69.248 68.868 0.300 0.000 0.988 428 T HN 0.092 nan 8.240 nan 0.000 0.530 429 A N 1.733 124.786 122.820 0.389 0.000 2.313 429 A HA 0.553 4.873 4.320 -0.000 0.000 0.261 429 A C 1.504 179.354 177.584 0.442 0.000 1.090 429 A CA 0.096 52.364 52.037 0.385 0.000 0.807 429 A CB 0.371 19.561 19.000 0.315 0.000 1.055 429 A HN 0.495 nan 8.150 nan 0.000 0.492 430 T N -2.649 112.145 114.554 0.400 0.000 3.010 430 T HA 0.239 4.589 4.350 -0.000 0.000 0.257 430 T C 0.239 175.050 174.700 0.185 0.000 1.020 430 T CA 0.633 62.926 62.100 0.322 0.000 0.938 430 T CB -0.352 68.651 68.868 0.226 0.000 1.049 430 T HN 0.746 nan 8.240 nan 0.000 0.522 431 H N -1.037 118.065 119.070 0.052 0.000 3.018 431 H HA 0.266 4.822 4.556 -0.000 0.000 0.334 431 H C -0.998 174.350 175.328 0.033 0.000 0.983 431 H CA -1.066 54.939 56.048 -0.073 0.000 1.363 431 H CB 0.897 30.672 29.762 0.023 0.000 1.668 431 H HN 0.313 nan 8.280 nan 0.000 0.513 432 W N 2.241 123.269 121.300 -0.452 0.000 5.121 432 W HA -0.249 4.411 4.660 0.000 0.000 0.372 432 W C 0.487 176.923 176.519 -0.138 0.000 1.394 432 W CA 0.965 58.007 57.345 -0.504 0.000 0.885 432 W CB -1.639 27.453 29.460 -0.614 0.000 2.520 432 W HN 0.399 nan 8.180 nan 0.000 1.455 433 S N 0.503 116.232 115.700 0.049 0.000 2.552 433 S HA 0.382 4.852 4.470 -0.000 0.000 0.289 433 S C 1.398 176.219 174.600 0.368 0.000 1.304 433 S CA 1.720 60.068 58.200 0.247 0.000 1.063 433 S CB 0.790 64.196 63.200 0.343 0.000 0.848 433 S HN 1.400 nan 8.310 nan 0.000 0.499 434 G N 3.120 112.205 108.800 0.475 0.000 2.232 434 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.226 434 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.226 434 G C -0.196 174.857 174.900 0.255 0.000 0.996 434 G CA 0.238 45.630 45.100 0.486 0.000 0.626 434 G HN 0.682 nan 8.290 nan 0.000 0.509 435 Y N -0.290 120.124 120.300 0.190 0.000 2.602 435 Y HA 0.722 5.272 4.550 -0.000 0.000 0.330 435 Y C 2.024 177.965 175.900 0.068 0.000 1.114 435 Y CA -0.754 57.407 58.100 0.103 0.000 1.182 435 Y CB 0.763 39.269 38.460 0.078 0.000 1.305 435 Y HN -0.020 nan 8.280 nan 0.000 0.502 436 M N -0.159 119.547 119.600 0.176 0.000 2.149 436 M HA -0.204 4.276 4.480 -0.000 0.000 0.261 436 M C 1.840 178.203 176.300 0.105 0.000 1.064 436 M CA 1.998 57.367 55.300 0.116 0.000 1.102 436 M CB -0.265 32.395 32.600 0.099 0.000 1.369 436 M HN 0.789 nan 8.290 nan 0.000 0.408 437 E N 0.759 121.000 120.200 0.068 0.000 2.058 437 E HA -0.155 4.195 4.350 -0.000 0.000 0.194 437 E C 1.967 178.632 176.600 0.109 0.000 0.997 437 E CA 2.050 58.461 56.400 0.017 0.000 0.801 437 E CB -0.649 28.940 29.700 -0.184 0.000 0.746 437 E HN 0.432 nan 8.360 nan 0.000 0.450 438 G N 0.046 108.957 108.800 0.186 0.000 2.432 438 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.219 438 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.219 438 G C 1.703 176.717 174.900 0.190 0.000 1.135 438 G CA 1.077 46.308 45.100 0.219 0.000 0.767 438 G HN 0.475 nan 8.290 nan 0.000 0.550 439 A N 0.184 123.104 122.820 0.166 0.000 1.902 439 A HA 0.071 4.391 4.320 -0.000 0.000 0.217 439 A C 2.610 180.256 177.584 0.103 0.000 1.181 439 A CA 1.853 53.971 52.037 0.135 0.000 0.623 439 A CB -0.580 18.489 19.000 0.115 0.000 0.818 439 A HN 0.259 nan 8.150 nan 0.000 0.443 440 V N 0.066 120.034 119.914 0.089 0.000 2.295 440 V HA -0.263 3.857 4.120 -0.000 0.000 0.246 440 V C 2.531 178.665 176.094 0.067 0.000 1.049 440 V CA 2.192 64.531 62.300 0.065 0.000 1.024 440 V CB -0.799 31.056 31.823 0.054 0.000 0.648 440 V HN 0.720 nan 8.190 nan 0.000 0.447 441 E N 0.403 120.662 120.200 0.098 0.000 2.070 441 E HA -0.293 4.057 4.350 -0.000 0.000 0.197 441 E C 2.237 178.877 176.600 0.065 0.000 1.004 441 E CA 1.837 58.302 56.400 0.109 0.000 0.805 441 E CB -0.184 29.628 29.700 0.186 0.000 0.744 441 E HN 0.551 nan 8.360 nan 0.000 0.451 442 A N 0.592 123.471 122.820 0.099 0.000 1.898 442 A HA -0.054 4.266 4.320 -0.000 0.000 0.216 442 A C 2.412 180.017 177.584 0.035 0.000 1.181 442 A CA 1.700 53.787 52.037 0.085 0.000 0.620 442 A CB -1.008 18.087 19.000 0.158 0.000 0.819 442 A HN 0.444 nan 8.150 nan 0.000 0.442 443 G N -0.360 108.466 108.800 0.043 0.000 2.421 443 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.216 443 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.216 443 G C 1.439 176.326 174.900 -0.022 0.000 1.171 443 G CA 0.966 46.078 45.100 0.020 0.000 0.775 443 G HN 0.639 nan 8.290 nan 0.000 0.543 444 E N -0.181 120.003 120.200 -0.028 0.000 2.106 444 E HA -0.081 4.269 4.350 -0.000 0.000 0.192 444 E C 2.530 179.059 176.600 -0.118 0.000 0.984 444 E CA 0.375 56.742 56.400 -0.054 0.000 0.806 444 E CB -0.118 29.565 29.700 -0.028 0.000 0.750 444 E HN 0.308 nan 8.360 nan 0.000 0.458 445 R N 1.148 121.545 120.500 -0.172 0.000 2.073 445 R HA -0.109 4.231 4.340 -0.000 0.000 0.234 445 R C 2.189 178.316 176.300 -0.288 0.000 1.134 445 R CA 1.392 57.284 56.100 -0.347 0.000 0.952 445 R CB -0.246 29.697 30.300 -0.596 0.000 0.850 445 R HN 0.133 nan 8.270 nan 0.000 0.433 446 A N 0.948 123.667 122.820 -0.167 0.000 1.902 446 A HA -0.073 4.247 4.320 -0.000 0.000 0.217 446 A C 2.404 179.879 177.584 -0.182 0.000 1.181 446 A CA 1.707 53.680 52.037 -0.107 0.000 0.623 446 A CB -0.695 18.304 19.000 -0.001 0.000 0.818 446 A HN 0.545 nan 8.150 nan 0.000 0.443 447 A N -0.292 122.438 122.820 -0.149 0.000 1.902 447 A HA -0.174 4.146 4.320 -0.000 0.000 0.217 447 A C 2.254 179.718 177.584 -0.200 0.000 1.181 447 A CA 1.573 53.516 52.037 -0.158 0.000 0.623 447 A CB -0.445 18.498 19.000 -0.095 0.000 0.818 447 A HN 0.542 nan 8.150 nan 0.000 0.443 448 R N -0.545 119.842 120.500 -0.188 0.000 2.115 448 R HA -0.065 4.275 4.340 -0.000 0.000 0.226 448 R C 2.022 178.203 176.300 -0.197 0.000 1.100 448 R CA 1.193 57.190 56.100 -0.173 0.000 0.980 448 R CB -0.221 29.984 30.300 -0.159 0.000 0.875 448 R HN 0.676 nan 8.270 nan 0.000 0.445 449 E N 0.602 120.642 120.200 -0.265 0.000 2.077 449 E HA -0.195 4.155 4.350 -0.000 0.000 0.193 449 E C 1.942 178.242 176.600 -0.500 0.000 0.989 449 E CA 1.108 57.337 56.400 -0.285 0.000 0.800 449 E CB -0.064 29.484 29.700 -0.253 0.000 0.746 449 E HN 0.345 nan 8.360 nan 0.000 0.452 450 I N 0.902 121.053 120.570 -0.700 0.000 2.315 450 I HA -0.254 3.916 4.170 -0.000 0.000 0.248 450 I C 2.304 178.111 176.117 -0.517 0.000 1.117 450 I CA 0.771 61.562 61.300 -0.848 0.000 1.404 450 I CB -0.122 37.418 38.000 -0.767 0.000 1.071 450 I HN 0.111 nan 8.210 nan 0.000 0.419 451 L N -0.050 120.992 121.223 -0.302 0.000 2.046 451 L HA -0.276 4.064 4.340 -0.000 0.000 0.208 451 L C 2.716 179.517 176.870 -0.114 0.000 1.077 451 L CA 1.579 56.317 54.840 -0.170 0.000 0.747 451 L CB -0.861 41.133 42.059 -0.108 0.000 0.896 451 L HN 0.354 nan 8.230 nan 0.000 0.432 452 H N 0.111 119.073 119.070 -0.179 0.000 2.357 452 H HA -0.101 4.455 4.556 -0.000 0.000 0.301 452 H C 2.117 177.385 175.328 -0.101 0.000 1.082 452 H CA 1.442 57.423 56.048 -0.111 0.000 1.342 452 H CB 0.072 29.784 29.762 -0.082 0.000 1.389 452 H HN 0.253 nan 8.280 nan 0.000 0.511 453 A N 0.405 123.061 122.820 -0.273 0.000 2.019 453 A HA -0.134 4.186 4.320 -0.000 0.000 0.219 453 A C 2.226 179.713 177.584 -0.162 0.000 1.164 453 A CA 1.705 53.595 52.037 -0.245 0.000 0.644 453 A CB -0.596 18.243 19.000 -0.269 0.000 0.805 453 A HN 0.565 nan 8.150 nan 0.000 0.449 454 M N -1.252 118.242 119.600 -0.176 0.000 2.561 454 M HA 0.169 4.649 4.480 -0.000 0.000 0.238 454 M C 1.245 177.505 176.300 -0.066 0.000 1.131 454 M CA 0.705 55.972 55.300 -0.056 0.000 1.046 454 M CB 0.200 32.778 32.600 -0.038 0.000 1.532 454 M HN 0.592 nan 8.290 nan 0.000 0.497 455 G N 1.338 110.060 108.800 -0.130 0.000 2.176 455 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.252 455 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.252 455 G C 0.780 175.650 174.900 -0.050 0.000 1.024 455 G CA 0.456 45.495 45.100 -0.103 0.000 0.755 455 G HN 0.483 nan 8.290 nan 0.000 0.507 456 K N -0.737 119.635 120.400 -0.046 0.000 2.284 456 K HA 0.340 4.660 4.320 -0.000 0.000 0.198 456 K C 1.273 177.873 176.600 -0.001 0.000 1.048 456 K CA 1.204 57.478 56.287 -0.023 0.000 0.987 456 K CB 0.366 32.846 32.500 -0.033 0.000 0.800 456 K HN 0.792 nan 8.250 nan 0.000 0.486 457 I N -1.621 118.963 120.570 0.025 0.000 2.865 457 I HA 0.451 4.621 4.170 -0.000 0.000 0.302 457 I C -2.933 173.267 176.117 0.140 0.000 1.140 457 I CA -2.967 58.366 61.300 0.055 0.000 1.021 457 I CB 2.192 40.211 38.000 0.032 0.000 1.233 457 I HN -0.242 nan 8.210 nan 0.000 0.427 458 P HA 0.086 nan 4.420 nan 0.000 0.274 458 P C 0.222 177.566 177.300 0.072 0.000 1.237 458 P CA -0.044 63.136 63.100 0.134 0.000 0.793 458 P CB 1.082 32.823 31.700 0.068 0.000 0.977 459 E N 0.990 121.172 120.200 -0.029 0.000 2.118 459 E HA -0.230 4.120 4.350 -0.000 0.000 0.195 459 E C 0.995 177.519 176.600 -0.127 0.000 0.992 459 E CA 1.619 57.815 56.400 -0.340 0.000 0.804 459 E CB -0.142 29.413 29.700 -0.242 0.000 0.741 459 E HN 0.515 nan 8.360 nan 0.000 0.458 460 D N -0.298 120.087 120.400 -0.025 0.000 2.378 460 D HA -0.125 4.515 4.640 -0.000 0.000 0.227 460 D C 0.906 177.230 176.300 0.041 0.000 1.012 460 D CA 0.498 54.512 54.000 0.023 0.000 0.905 460 D CB -0.185 40.630 40.800 0.025 0.000 0.895 460 D HN 0.236 nan 8.370 nan 0.000 0.532 461 E N -0.537 119.673 120.200 0.016 0.000 2.481 461 E HA 0.215 4.565 4.350 -0.000 0.000 0.198 461 E C 1.824 178.421 176.600 -0.005 0.000 1.027 461 E CA -0.271 56.140 56.400 0.019 0.000 0.900 461 E CB 0.322 30.030 29.700 0.013 0.000 0.993 461 E HN 0.264 nan 8.360 nan 0.000 0.482 462 I N -0.086 120.468 120.570 -0.027 0.000 2.179 462 I HA -0.172 3.998 4.170 -0.000 0.000 0.242 462 I C 0.355 176.345 176.117 -0.212 0.000 1.088 462 I CA 1.070 62.287 61.300 -0.138 0.000 1.357 462 I CB 0.096 37.998 38.000 -0.163 0.000 1.051 462 I HN 0.107 nan 8.210 nan 0.000 0.409 463 W N 1.545 122.840 121.300 -0.008 0.000 2.316 463 W HA 0.504 5.164 4.660 -0.000 0.000 0.308 463 W C 0.030 176.553 176.519 0.007 0.000 1.106 463 W CA -0.252 57.099 57.345 0.010 0.000 1.262 463 W CB 0.587 30.054 29.460 0.013 0.000 1.233 463 W HN -0.051 nan 8.180 nan 0.000 0.447 464 Q N 2.371 122.285 119.800 0.190 0.000 2.330 464 Q HA 0.392 4.732 4.340 -0.000 0.000 0.269 464 Q C 0.186 176.260 176.000 0.123 0.000 1.022 464 Q CA -0.520 55.355 55.803 0.119 0.000 0.796 464 Q CB 1.670 30.444 28.738 0.059 0.000 1.271 464 Q HN 0.538 nan 8.270 nan 0.000 0.450 465 S N 2.190 117.947 115.700 0.095 0.000 2.593 465 S HA 0.329 4.799 4.470 -0.000 0.000 0.269 465 S C -0.231 174.409 174.600 0.067 0.000 1.334 465 S CA -0.619 57.627 58.200 0.077 0.000 1.015 465 S CB 1.410 64.639 63.200 0.048 0.000 0.912 465 S HN 0.629 nan 8.310 nan 0.000 0.541 466 E N 1.086 121.327 120.200 0.068 0.000 2.176 466 E HA 0.583 4.933 4.350 -0.000 0.000 0.267 466 E C -2.754 173.875 176.600 0.050 0.000 0.893 466 E CA -2.131 54.306 56.400 0.063 0.000 0.761 466 E CB 0.984 30.733 29.700 0.082 0.000 1.133 466 E HN 0.559 nan 8.360 nan 0.000 0.409 467 P HA 0.087 nan 4.420 nan 0.000 0.271 467 P C -0.766 176.554 177.300 0.032 0.000 1.216 467 P CA -0.242 62.876 63.100 0.030 0.000 0.776 467 P CB 0.553 32.267 31.700 0.024 0.000 0.881 468 E N 1.501 121.718 120.200 0.028 0.000 2.414 468 E HA 0.081 4.431 4.350 -0.000 0.000 0.263 468 E C -0.085 176.528 176.600 0.021 0.000 1.000 468 E CA -0.265 56.151 56.400 0.028 0.000 0.914 468 E CB 0.422 30.136 29.700 0.023 0.000 0.948 468 E HN 0.397 nan 8.360 nan 0.000 0.444 469 S N 2.937 118.648 115.700 0.018 0.000 2.537 469 S HA -0.034 4.436 4.470 -0.000 0.000 0.286 469 S C 1.148 175.755 174.600 0.011 0.000 1.299 469 S CA -0.138 58.071 58.200 0.014 0.000 1.067 469 S CB 0.915 64.119 63.200 0.006 0.000 0.864 469 S HN 0.523 nan 8.310 nan 0.000 0.494 470 V N 1.950 121.871 119.914 0.013 0.000 2.788 470 V HA 0.057 4.177 4.120 -0.000 0.000 0.251 470 V C 1.524 177.624 176.094 0.010 0.000 1.068 470 V CA 1.455 63.762 62.300 0.011 0.000 1.090 470 V CB -0.615 31.215 31.823 0.012 0.000 0.710 470 V HN 0.823 nan 8.190 nan 0.000 0.467 471 D N 1.163 121.570 120.400 0.012 0.000 2.194 471 D HA 0.060 4.700 4.640 -0.000 0.000 0.204 471 D C 0.792 177.093 176.300 0.001 0.000 0.964 471 D CA 1.224 55.231 54.000 0.011 0.000 0.846 471 D CB 0.596 41.407 40.800 0.020 0.000 0.962 471 D HN 0.520 nan 8.370 nan 0.000 0.490 472 V N 3.601 123.511 119.914 -0.007 0.000 2.313 472 V HA 0.209 4.329 4.120 -0.000 0.000 0.262 472 V C -2.390 173.695 176.094 -0.016 0.000 1.011 472 V CA -1.323 60.963 62.300 -0.022 0.000 0.858 472 V CB 1.268 33.061 31.823 -0.049 0.000 1.104 472 V HN -0.050 nan 8.190 nan 0.000 0.456 473 P HA 0.455 nan 4.420 nan 0.000 0.277 473 P C -0.490 176.809 177.300 -0.001 0.000 1.240 473 P CA -0.127 62.973 63.100 -0.001 0.000 0.798 473 P CB 1.700 33.402 31.700 0.002 0.000 0.979 474 A N 2.778 125.602 122.820 0.006 0.000 2.271 474 A HA 0.364 4.684 4.320 -0.000 0.000 0.317 474 A C 0.160 177.749 177.584 0.009 0.000 1.245 474 A CA -0.537 51.506 52.037 0.011 0.000 0.857 474 A CB 0.263 19.279 19.000 0.027 0.000 1.175 474 A HN 0.416 nan 8.150 nan 0.000 0.512 475 Q N 2.612 122.416 119.800 0.006 0.000 2.352 475 Q HA 0.324 4.664 4.340 -0.000 0.000 0.260 475 Q C -2.223 173.780 176.000 0.005 0.000 0.976 475 Q CA -1.834 53.972 55.803 0.005 0.000 0.881 475 Q CB 0.322 29.062 28.738 0.004 0.000 1.235 475 Q HN 0.569 nan 8.270 nan 0.000 0.419 476 P HA 0.178 nan 4.420 nan 0.000 0.274 476 P C -0.361 176.937 177.300 -0.003 0.000 1.231 476 P CA -0.388 62.711 63.100 -0.002 0.000 0.790 476 P CB 0.758 32.456 31.700 -0.004 0.000 0.951 477 I N 2.289 122.853 120.570 -0.010 0.000 2.396 477 I HA 0.153 4.323 4.170 -0.000 0.000 0.289 477 I C 1.165 177.274 176.117 -0.014 0.000 1.056 477 I CA 0.196 61.490 61.300 -0.011 0.000 1.365 477 I CB 0.014 38.001 38.000 -0.022 0.000 1.407 477 I HN 0.400 nan 8.210 nan 0.000 0.509 478 T N 2.070 116.620 114.554 -0.006 0.000 2.888 478 T HA 0.762 5.112 4.350 -0.000 0.000 0.284 478 T C 0.068 174.755 174.700 -0.021 0.000 1.017 478 T CA -0.728 61.367 62.100 -0.009 0.000 1.022 478 T CB 1.996 70.865 68.868 0.002 0.000 1.013 478 T HN 0.638 nan 8.240 nan 0.000 0.465 479 T N -0.882 113.654 114.554 -0.030 0.000 2.912 479 T HA 0.714 5.064 4.350 -0.000 0.000 0.288 479 T C 0.391 175.080 174.700 -0.019 0.000 1.030 479 T CA -0.802 61.267 62.100 -0.052 0.000 1.020 479 T CB 1.316 70.131 68.868 -0.088 0.000 1.056 479 T HN 0.963 nan 8.240 nan 0.000 0.480 480 T N -0.407 114.136 114.554 -0.018 0.000 2.874 480 T HA 0.390 4.740 4.350 -0.000 0.000 0.281 480 T C 0.831 175.573 174.700 0.071 0.000 0.994 480 T CA -0.866 61.260 62.100 0.044 0.000 1.015 480 T CB 0.595 69.492 68.868 0.048 0.000 1.028 480 T HN 0.524 nan 8.240 nan 0.000 0.523 481 F N 0.793 120.754 119.950 0.018 0.000 2.126 481 F HA -0.002 4.525 4.527 -0.000 0.000 0.299 481 F C 1.898 177.752 175.800 0.091 0.000 1.096 481 F CA 1.403 59.450 58.000 0.077 0.000 1.255 481 F CB -0.504 38.548 39.000 0.087 0.000 0.997 481 F HN 0.500 nan 8.300 nan 0.000 0.479 482 L N -0.050 121.232 121.223 0.098 0.000 2.093 482 L HA -0.187 4.153 4.340 -0.000 0.000 0.208 482 L C 2.382 179.209 176.870 -0.072 0.000 1.085 482 L CA 1.551 56.398 54.840 0.011 0.000 0.755 482 L CB -0.742 41.387 42.059 0.116 0.000 0.904 482 L HN 0.151 nan 8.230 nan 0.000 0.435 483 E N -0.128 120.027 120.200 -0.075 0.000 2.118 483 E HA -0.229 4.121 4.350 -0.000 0.000 0.195 483 E C 2.353 178.825 176.600 -0.214 0.000 0.992 483 E CA 1.114 57.435 56.400 -0.131 0.000 0.804 483 E CB 0.038 29.652 29.700 -0.142 0.000 0.741 483 E HN 0.378 nan 8.360 nan 0.000 0.458 484 R N -0.645 119.663 120.500 -0.320 0.000 2.093 484 R HA -0.021 4.319 4.340 -0.000 0.000 0.224 484 R C 1.675 177.600 176.300 -0.624 0.000 1.101 484 R CA 0.932 56.723 56.100 -0.514 0.000 0.979 484 R CB 0.106 29.982 30.300 -0.706 0.000 0.877 484 R HN 0.286 nan 8.270 nan 0.000 0.441 485 H N -0.791 118.083 119.070 -0.327 0.000 2.874 485 H HA 0.207 4.763 4.556 -0.000 0.000 0.264 485 H C 0.345 175.554 175.328 -0.199 0.000 1.007 485 H CA -0.175 55.683 56.048 -0.316 0.000 1.207 485 H CB 0.505 29.943 29.762 -0.541 0.000 1.487 485 H HN 0.019 nan 8.280 nan 0.000 0.505 486 L N 4.567 125.746 121.223 -0.072 0.000 2.490 486 L HA 0.062 4.402 4.340 -0.000 0.000 0.274 486 L C -1.646 175.199 176.870 -0.041 0.000 1.201 486 L CA -1.405 53.419 54.840 -0.026 0.000 0.869 486 L CB 0.396 42.466 42.059 0.019 0.000 1.123 486 L HN -0.011 nan 8.230 nan 0.000 0.484 487 P HA 0.116 nan 4.420 nan 0.000 0.274 487 P C -0.590 176.665 177.300 -0.076 0.000 1.237 487 P CA -0.568 62.499 63.100 -0.055 0.000 0.793 487 P CB 1.019 32.687 31.700 -0.053 0.000 0.977 488 S N 0.081 115.718 115.700 -0.105 0.000 2.626 488 S HA 0.105 4.575 4.470 -0.000 0.000 0.257 488 S C 1.498 175.963 174.600 -0.224 0.000 1.288 488 S CA -0.555 57.557 58.200 -0.146 0.000 0.980 488 S CB -0.315 62.795 63.200 -0.149 0.000 0.975 488 S HN 0.211 nan 8.310 nan 0.000 0.577 489 V N 2.383 122.091 119.914 -0.343 0.000 2.261 489 V HA -0.065 4.055 4.120 -0.000 0.000 0.246 489 V C -0.434 175.249 176.094 -0.685 0.000 1.047 489 V CA 1.900 63.904 62.300 -0.494 0.000 1.015 489 V CB -1.895 29.597 31.823 -0.551 0.000 0.642 489 V HN 0.807 nan 8.190 nan 0.000 0.446 490 P HA -0.109 nan 4.420 nan 0.000 0.220 490 P C 1.703 178.818 177.300 -0.308 0.000 1.148 490 P CA 1.944 64.639 63.100 -0.674 0.000 0.803 490 P CB -0.254 31.161 31.700 -0.474 0.000 0.782 491 G N 0.578 109.232 108.800 -0.244 0.000 2.402 491 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.216 491 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.216 491 G C 1.498 176.325 174.900 -0.121 0.000 1.162 491 G CA 0.487 45.503 45.100 -0.140 0.000 0.777 491 G HN 0.247 nan 8.290 nan 0.000 0.539 492 L N 0.398 121.535 121.223 -0.143 0.000 2.093 492 L HA 0.174 4.514 4.340 -0.000 0.000 0.208 492 L C 2.616 179.427 176.870 -0.099 0.000 1.085 492 L CA 1.247 56.025 54.840 -0.103 0.000 0.755 492 L CB -0.344 41.657 42.059 -0.097 0.000 0.904 492 L HN 0.186 nan 8.230 nan 0.000 0.435 493 L N -0.947 120.190 121.223 -0.143 0.000 2.131 493 L HA -0.164 4.176 4.340 -0.000 0.000 0.210 493 L C 2.790 179.618 176.870 -0.069 0.000 1.092 493 L CA 0.989 55.764 54.840 -0.108 0.000 0.759 493 L CB -0.543 41.425 42.059 -0.151 0.000 0.903 493 L HN 0.240 nan 8.230 nan 0.000 0.435 494 R N -0.206 120.248 120.500 -0.076 0.000 2.075 494 R HA -0.137 4.203 4.340 -0.000 0.000 0.232 494 R C 2.152 178.432 176.300 -0.033 0.000 1.126 494 R CA 1.185 57.259 56.100 -0.044 0.000 0.963 494 R CB -0.249 30.025 30.300 -0.044 0.000 0.858 494 R HN 0.208 nan 8.270 nan 0.000 0.435 495 L N 0.658 121.858 121.223 -0.039 0.000 2.275 495 L HA -0.004 4.336 4.340 -0.000 0.000 0.215 495 L C 1.099 177.956 176.870 -0.021 0.000 1.119 495 L CA 1.173 55.996 54.840 -0.027 0.000 0.790 495 L CB -0.220 41.822 42.059 -0.029 0.000 0.919 495 L HN 0.055 nan 8.230 nan 0.000 0.443 496 I N 0.000 120.555 120.570 -0.025 0.000 2.984 496 I HA 0.000 4.170 4.170 -0.000 0.000 0.288 496 I CA 0.000 61.290 61.300 -0.016 0.000 1.566 496 I CB 0.000 37.989 38.000 -0.018 0.000 1.214 496 I HN 0.000 nan 8.210 nan 0.000 0.494