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 1hp4_1_A DATA FIRST_RESID 8 DATA SEQUENCE DRKAPVRPTP LDRVIPAPAS VDPGGAPYRI TRGTHIRVDD SREARRVGDY DATA SEQUENCE LADLLRPATG YRLPVTAHGH GGIRLRLAGG PYGDEGYRLD SGPAGVTITA DATA SEQUENCE RKAAGLFHGV QTLRQLLPPA VEKDSAQPGP WLVAGGTIED TPRYAWRSAM DATA SEQUENCE LDVSRHFFGV DEVKRYIDRV ARYKYNKLHL HLSDDQGWRI AIDSWPRLAT DATA SEQUENCE YGGSTEVGGG PGGYYTKAEY KEIVRYAASR HLEVVPEIDM PGHTNAALAS DATA SEQUENCE YAELNcDGVA PPLYTGTKVG FSSLcVDKDV TYDFVDDVIG ELAALTPGRY DATA SEQUENCE LHIGGDEAHS TPKADFVAFM KRVQPIVAKY GKTVVGWHQL AGAEPVEGAL DATA SEQUENCE VQYWGLDRTG DAEKAEVAEA ARNGTGLILS PADRTYLDMK YTKDTPLGLS DATA SEQUENCE WAGYVEVQRS YDWDPAGYLP GAPADAVRGV EAPLWTETLS DPDQLDYMAF DATA SEQUENCE PRLPGVAELG WSPASTHDWD TYKVRLAAQA PYWEAAGIDF YRSPQVPWT 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 8 D HA 0.000 nan 4.640 nan 0.000 0.175 8 D C 0.000 176.252 176.300 -0.080 0.000 2.045 8 D CA 0.000 53.958 54.000 -0.069 0.000 0.868 8 D CB 0.000 40.757 40.800 -0.072 0.000 0.688 9 R N 0.835 121.293 120.500 -0.069 0.000 2.096 9 R HA -0.150 4.189 4.340 -0.002 0.000 0.240 9 R C 1.408 177.635 176.300 -0.123 0.000 1.139 9 R CA 1.748 57.802 56.100 -0.077 0.000 0.952 9 R CB -0.065 30.204 30.300 -0.052 0.000 0.854 9 R HN 0.017 nan 8.270 nan 0.000 0.436 10 K N -0.030 120.296 120.400 -0.123 0.000 2.097 10 K HA 0.026 4.345 4.320 -0.002 0.000 0.205 10 K C 0.585 177.070 176.600 -0.191 0.000 1.050 10 K CA 1.304 57.496 56.287 -0.159 0.000 0.938 10 K CB 0.401 32.830 32.500 -0.118 0.000 0.718 10 K HN 0.160 nan 8.250 nan 0.000 0.442 11 A N 1.321 124.039 122.820 -0.171 0.000 2.943 11 A HA 0.416 4.735 4.320 -0.002 0.000 0.327 11 A C -2.734 174.751 177.584 -0.164 0.000 1.141 11 A CA -1.550 50.365 52.037 -0.203 0.000 0.773 11 A CB 0.253 19.116 19.000 -0.228 0.000 1.143 11 A HN -0.083 nan 8.150 nan 0.000 0.463 12 P HA 0.087 nan 4.420 nan 0.000 0.268 12 P C 1.286 178.521 177.300 -0.107 0.000 1.208 12 P CA -0.116 62.921 63.100 -0.105 0.000 0.777 12 P CB 0.873 32.523 31.700 -0.083 0.000 0.875 13 V N 1.698 121.561 119.914 -0.085 0.000 2.427 13 V HA -0.125 3.994 4.120 -0.002 0.000 0.248 13 V C 1.275 177.325 176.094 -0.073 0.000 1.051 13 V CA 1.712 63.964 62.300 -0.080 0.000 1.048 13 V CB -0.629 31.156 31.823 -0.062 0.000 0.666 13 V HN 0.518 nan 8.190 nan 0.000 0.456 14 R N 0.340 120.804 120.500 -0.059 0.000 2.832 14 R HA 0.424 4.763 4.340 -0.002 0.000 0.271 14 R C -2.556 173.721 176.300 -0.037 0.000 0.996 14 R CA -1.999 54.074 56.100 -0.045 0.000 0.977 14 R CB 0.912 31.192 30.300 -0.034 0.000 1.168 14 R HN 0.139 nan 8.270 nan 0.000 0.482 15 P HA -0.013 nan 4.420 nan 0.000 0.272 15 P C -0.157 177.145 177.300 0.004 0.000 1.223 15 P CA -0.116 62.983 63.100 -0.001 0.000 0.784 15 P CB 0.412 32.121 31.700 0.015 0.000 0.923 16 T N -0.269 114.298 114.554 0.022 0.000 2.926 16 T HA 0.254 4.603 4.350 -0.002 0.000 0.307 16 T C -2.272 172.432 174.700 0.007 0.000 1.059 16 T CA -1.472 60.638 62.100 0.018 0.000 1.122 16 T CB -0.773 68.125 68.868 0.049 0.000 0.972 16 T HN 0.224 nan 8.240 nan 0.000 0.545 17 P HA 0.026 nan 4.420 nan 0.000 0.265 17 P C 0.859 178.156 177.300 -0.005 0.000 1.187 17 P CA -0.439 62.655 63.100 -0.010 0.000 0.766 17 P CB 0.304 31.990 31.700 -0.025 0.000 0.820 18 L N 3.263 124.489 121.223 0.006 0.000 2.191 18 L HA -0.151 4.188 4.340 -0.002 0.000 0.212 18 L C 1.456 178.332 176.870 0.010 0.000 1.103 18 L CA 1.986 56.834 54.840 0.014 0.000 0.769 18 L CB -0.806 41.267 42.059 0.023 0.000 0.908 18 L HN 0.415 nan 8.230 nan 0.000 0.438 19 D N -1.240 119.159 120.400 -0.000 0.000 2.339 19 D HA -0.127 4.512 4.640 -0.002 0.000 0.217 19 D C 1.313 177.600 176.300 -0.022 0.000 1.050 19 D CA -0.080 53.919 54.000 -0.001 0.000 0.856 19 D CB -0.357 40.443 40.800 0.000 0.000 0.922 19 D HN 0.271 nan 8.370 nan 0.000 0.518 20 R N 1.332 121.808 120.500 -0.041 0.000 4.164 20 R HA 0.282 4.621 4.340 -0.002 0.000 0.195 20 R C -0.549 175.693 176.300 -0.097 0.000 1.712 20 R CA -0.270 55.783 56.100 -0.079 0.000 1.457 20 R CB -0.270 29.979 30.300 -0.085 0.000 1.387 20 R HN 0.101 nan 8.270 nan 0.000 0.785 21 V N -0.486 119.385 119.914 -0.072 0.000 3.114 21 V HA 0.632 4.751 4.120 -0.002 0.000 0.308 21 V C -0.692 175.386 176.094 -0.026 0.000 1.168 21 V CA -1.144 61.111 62.300 -0.074 0.000 1.015 21 V CB 2.352 34.141 31.823 -0.056 0.000 1.050 21 V HN 0.234 nan 8.190 nan 0.000 0.433 22 I N 2.725 123.299 120.570 0.006 0.000 2.466 22 I HA 0.551 4.720 4.170 -0.002 0.000 0.289 22 I C -2.603 173.571 176.117 0.095 0.000 1.026 22 I CA -2.124 59.231 61.300 0.093 0.000 1.078 22 I CB 2.632 40.714 38.000 0.136 0.000 1.249 22 I HN 0.481 nan 8.210 nan 0.000 0.429 23 P HA 0.102 nan 4.420 nan 0.000 0.272 23 P C -0.528 176.809 177.300 0.061 0.000 1.223 23 P CA -0.325 62.791 63.100 0.027 0.000 0.784 23 P CB 0.624 32.283 31.700 -0.069 0.000 0.923 24 A N 4.267 127.181 122.820 0.156 0.000 2.524 24 A HA 0.275 4.594 4.320 -0.002 0.000 0.250 24 A C -2.098 175.597 177.584 0.186 0.000 1.078 24 A CA -0.767 51.356 52.037 0.144 0.000 0.761 24 A CB -1.232 17.863 19.000 0.158 0.000 1.012 24 A HN 0.391 nan 8.150 nan 0.000 0.500 25 P HA 0.220 nan 4.420 nan 0.000 0.272 25 P C 0.863 178.256 177.300 0.155 0.000 1.223 25 P CA 0.440 63.654 63.100 0.190 0.000 0.784 25 P CB 0.968 32.739 31.700 0.118 0.000 0.923 26 A N 1.805 124.715 122.820 0.150 0.000 1.908 26 A HA -0.061 4.258 4.320 -0.002 0.000 0.218 26 A C 1.128 178.735 177.584 0.038 0.000 1.181 26 A CA 1.845 53.919 52.037 0.060 0.000 0.627 26 A CB -0.612 18.390 19.000 0.003 0.000 0.818 26 A HN 0.520 nan 8.150 nan 0.000 0.445 27 S N -1.308 114.412 115.700 0.034 0.000 2.619 27 S HA 0.544 5.013 4.470 -0.002 0.000 0.280 27 S C -1.398 173.219 174.600 0.028 0.000 1.150 27 S CA -0.539 57.677 58.200 0.025 0.000 0.978 27 S CB 1.519 64.730 63.200 0.018 0.000 1.041 27 S HN 0.369 nan 8.310 nan 0.000 0.485 28 V N 4.325 124.256 119.914 0.029 0.000 2.483 28 V HA 0.517 4.636 4.120 -0.002 0.000 0.297 28 V C -0.971 175.137 176.094 0.024 0.000 1.027 28 V CA -0.679 61.638 62.300 0.029 0.000 0.855 28 V CB 1.766 33.607 31.823 0.030 0.000 0.995 28 V HN 0.906 nan 8.190 nan 0.000 0.424 29 D N 6.681 127.095 120.400 0.024 0.000 2.404 29 D HA 0.394 5.033 4.640 -0.002 0.000 0.267 29 D C -2.453 173.860 176.300 0.022 0.000 1.194 29 D CA -1.671 52.342 54.000 0.021 0.000 0.910 29 D CB 1.834 42.647 40.800 0.022 0.000 1.090 29 D HN 0.302 nan 8.370 nan 0.000 0.511 30 P HA 0.475 nan 4.420 nan 0.000 0.275 30 P C 0.017 177.328 177.300 0.018 0.000 1.228 30 P CA -0.157 62.955 63.100 0.019 0.000 0.786 30 P CB 1.619 33.328 31.700 0.014 0.000 0.927 31 G N -0.300 108.512 108.800 0.020 0.000 2.442 31 G HA2 0.527 4.486 3.960 -0.002 0.000 0.296 31 G HA3 0.527 4.486 3.960 -0.002 0.000 0.296 31 G C -0.356 174.557 174.900 0.022 0.000 1.564 31 G CA 0.334 45.445 45.100 0.019 0.000 0.828 31 G HN 0.747 nan 8.290 nan 0.000 0.571 32 G N -0.489 108.323 108.800 0.019 0.000 2.692 32 G HA2 0.381 4.340 3.960 -0.002 0.000 0.248 32 G HA3 0.381 4.340 3.960 -0.002 0.000 0.248 32 G C 0.653 175.568 174.900 0.025 0.000 1.340 32 G CA 0.621 45.734 45.100 0.022 0.000 0.896 32 G HN 2.375 nan 8.290 nan 0.000 0.570 33 A N 1.162 124.000 122.820 0.030 0.000 2.287 33 A HA 0.842 5.161 4.320 -0.002 0.000 0.273 33 A C -1.017 176.599 177.584 0.052 0.000 1.091 33 A CA -0.164 51.893 52.037 0.032 0.000 0.817 33 A CB 0.587 19.605 19.000 0.029 0.000 1.069 33 A HN 0.893 nan 8.150 nan 0.000 0.492 34 P HA 0.266 nan 4.420 nan 0.000 0.279 34 P C -1.284 176.093 177.300 0.129 0.000 1.276 34 P CA -0.160 62.990 63.100 0.083 0.000 0.801 34 P CB 0.602 32.334 31.700 0.053 0.000 1.127 35 Y N 0.626 120.947 120.300 0.034 0.000 2.376 35 Y HA 0.502 5.051 4.550 -0.002 0.000 0.325 35 Y C 0.127 176.064 175.900 0.061 0.000 1.199 35 Y CA -0.859 57.266 58.100 0.042 0.000 1.206 35 Y CB 1.257 39.743 38.460 0.042 0.000 1.229 35 Y HN 0.292 nan 8.280 nan 0.000 0.480 36 R N 6.566 126.526 120.500 -0.901 0.000 2.532 36 R HA 0.481 4.819 4.340 -0.002 0.000 0.297 36 R C -1.607 174.201 176.300 -0.821 0.000 0.984 36 R CA -0.631 55.128 56.100 -0.568 0.000 0.884 36 R CB 0.894 31.031 30.300 -0.271 0.000 1.182 36 R HN 0.849 nan 8.270 nan 0.000 0.442 37 I N 4.349 124.756 120.570 -0.272 0.000 2.416 37 I HA 0.159 4.328 4.170 -0.002 0.000 0.288 37 I C 0.670 176.891 176.117 0.174 0.000 1.051 37 I CA 0.001 61.304 61.300 0.004 0.000 1.375 37 I CB 1.421 39.574 38.000 0.254 0.000 1.407 37 I HN 0.665 nan 8.210 nan 0.000 0.516 38 T N 2.073 116.616 114.554 -0.018 0.000 2.926 38 T HA 0.347 4.696 4.350 -0.002 0.000 0.289 38 T C 1.094 175.317 174.700 -0.794 0.000 1.054 38 T CA -1.008 60.987 62.100 -0.175 0.000 1.015 38 T CB 1.602 70.397 68.868 -0.122 0.000 1.167 38 T HN 0.734 nan 8.240 nan 0.000 0.526 39 R N 0.305 120.167 120.500 -1.064 0.000 2.174 39 R HA -0.086 4.253 4.340 -0.002 0.000 0.253 39 R C 1.790 177.767 176.300 -0.540 0.000 1.165 39 R CA 2.026 57.419 56.100 -1.178 0.000 0.984 39 R CB -1.254 28.796 30.300 -0.416 0.000 0.873 39 R HN 0.735 nan 8.270 nan 0.000 0.456 40 G N 0.557 109.186 108.800 -0.286 0.000 3.042 40 G HA2 0.007 3.966 3.960 -0.002 0.000 0.212 40 G HA3 0.007 3.966 3.960 -0.002 0.000 0.212 40 G C -0.094 174.835 174.900 0.048 0.000 1.166 40 G CA -0.178 44.876 45.100 -0.076 0.000 0.767 40 G HN 0.251 nan 8.290 nan 0.000 0.546 41 T N 2.036 116.584 114.554 -0.009 0.000 2.871 41 T HA 0.147 4.496 4.350 -0.002 0.000 0.296 41 T C -0.313 174.530 174.700 0.239 0.000 0.998 41 T CA 0.377 62.550 62.100 0.122 0.000 1.162 41 T CB 0.434 69.385 68.868 0.139 0.000 0.947 41 T HN 0.245 nan 8.240 nan 0.000 0.536 42 H N 1.643 120.710 119.070 -0.005 0.000 2.502 42 H HA 0.523 5.078 4.556 -0.002 0.000 0.338 42 H C 0.140 175.449 175.328 -0.031 0.000 1.155 42 H CA -1.211 54.819 56.048 -0.031 0.000 1.237 42 H CB 0.755 30.482 29.762 -0.058 0.000 1.534 42 H HN 0.473 nan 8.280 nan 0.000 0.523 43 I N 2.538 123.134 120.570 0.043 0.000 2.330 43 I HA 0.213 4.382 4.170 -0.002 0.000 0.286 43 I C 0.024 176.129 176.117 -0.019 0.000 1.025 43 I CA -0.722 60.579 61.300 0.003 0.000 1.197 43 I CB 0.594 38.583 38.000 -0.019 0.000 1.358 43 I HN 0.228 nan 8.210 nan 0.000 0.467 44 R N 6.963 127.449 120.500 -0.023 0.000 2.254 44 R HA 0.606 4.945 4.340 -0.002 0.000 0.318 44 R C -0.983 175.293 176.300 -0.040 0.000 1.031 44 R CA -0.351 55.720 56.100 -0.048 0.000 0.905 44 R CB 0.905 31.168 30.300 -0.061 0.000 1.050 44 R HN 0.474 nan 8.270 nan 0.000 0.456 45 V N -0.313 119.579 119.914 -0.036 0.000 3.155 45 V HA 0.624 4.743 4.120 -0.002 0.000 0.313 45 V C -0.519 175.566 176.094 -0.014 0.000 1.162 45 V CA -1.152 61.136 62.300 -0.020 0.000 1.048 45 V CB 2.091 33.909 31.823 -0.008 0.000 1.092 45 V HN 0.662 nan 8.190 nan 0.000 0.447 46 D N 0.814 121.211 120.400 -0.005 0.000 2.358 46 D HA 0.189 4.827 4.640 -0.002 0.000 0.244 46 D C -0.539 175.766 176.300 0.008 0.000 1.163 46 D CA 0.213 54.213 54.000 0.001 0.000 0.945 46 D CB 1.057 41.860 40.800 0.005 0.000 1.152 46 D HN 0.883 nan 8.370 nan 0.000 0.451 47 D N -0.042 120.366 120.400 0.012 0.000 2.688 47 D HA 0.134 4.773 4.640 -0.002 0.000 0.228 47 D C -0.779 175.529 176.300 0.014 0.000 1.116 47 D CA -0.182 53.828 54.000 0.018 0.000 1.023 47 D CB -0.373 40.439 40.800 0.021 0.000 1.100 47 D HN 0.270 nan 8.370 nan 0.000 0.487 48 S N 0.535 116.243 115.700 0.012 0.000 2.607 48 S HA 0.438 4.907 4.470 -0.002 0.000 0.273 48 S C 0.722 175.328 174.600 0.010 0.000 1.148 48 S CA -1.028 57.178 58.200 0.010 0.000 0.833 48 S CB 2.074 65.280 63.200 0.009 0.000 1.130 48 S HN 0.091 nan 8.310 nan 0.000 0.470 49 R N 1.437 121.941 120.500 0.007 0.000 2.070 49 R HA -0.078 4.261 4.340 -0.002 0.000 0.232 49 R C 2.194 178.497 176.300 0.005 0.000 1.138 49 R CA 2.521 58.623 56.100 0.004 0.000 0.936 49 R CB -0.971 29.328 30.300 -0.001 0.000 0.839 49 R HN 0.936 nan 8.270 nan 0.000 0.429 50 E N -0.474 119.729 120.200 0.004 0.000 2.118 50 E HA -0.205 4.144 4.350 -0.002 0.000 0.195 50 E C 1.838 178.449 176.600 0.019 0.000 0.992 50 E CA 1.355 57.760 56.400 0.009 0.000 0.804 50 E CB -0.406 29.301 29.700 0.011 0.000 0.741 50 E HN 0.380 nan 8.360 nan 0.000 0.458 51 A N 1.814 124.644 122.820 0.016 0.000 1.855 51 A HA -0.118 4.201 4.320 -0.002 0.000 0.215 51 A C 2.301 179.898 177.584 0.021 0.000 1.191 51 A CA 1.450 53.497 52.037 0.016 0.000 0.613 51 A CB -0.464 18.542 19.000 0.010 0.000 0.829 51 A HN 0.133 nan 8.150 nan 0.000 0.442 52 R N -1.079 119.432 120.500 0.018 0.000 2.105 52 R HA -0.146 4.193 4.340 -0.002 0.000 0.239 52 R C 2.461 178.780 176.300 0.032 0.000 1.135 52 R CA 1.610 57.721 56.100 0.019 0.000 0.967 52 R CB -0.280 30.029 30.300 0.015 0.000 0.861 52 R HN 0.501 nan 8.270 nan 0.000 0.442 53 R N 0.339 120.859 120.500 0.033 0.000 2.091 53 R HA -0.132 4.207 4.340 -0.002 0.000 0.238 53 R C 2.095 178.452 176.300 0.096 0.000 1.136 53 R CA 1.485 57.611 56.100 0.043 0.000 0.959 53 R CB -0.206 30.101 30.300 0.011 0.000 0.856 53 R HN 0.037 nan 8.270 nan 0.000 0.437 54 V N -0.446 119.530 119.914 0.102 0.000 2.548 54 V HA -0.077 4.042 4.120 -0.002 0.000 0.249 54 V C 2.240 178.424 176.094 0.150 0.000 1.055 54 V CA 1.862 64.260 62.300 0.163 0.000 1.065 54 V CB -0.722 31.168 31.823 0.113 0.000 0.681 54 V HN 0.626 nan 8.190 nan 0.000 0.462 55 G N -0.063 108.784 108.800 0.078 0.000 2.421 55 G HA2 -0.236 3.723 3.960 -0.002 0.000 0.216 55 G HA3 -0.236 3.723 3.960 -0.002 0.000 0.216 55 G C 1.243 176.169 174.900 0.043 0.000 1.171 55 G CA 0.991 46.116 45.100 0.042 0.000 0.775 55 G HN 0.485 nan 8.290 nan 0.000 0.543 56 D N -0.590 119.844 120.400 0.057 0.000 2.144 56 D HA -0.112 4.527 4.640 -0.002 0.000 0.199 56 D C 1.916 178.253 176.300 0.063 0.000 0.984 56 D CA 0.739 54.765 54.000 0.042 0.000 0.834 56 D CB -0.297 40.530 40.800 0.044 0.000 0.955 56 D HN 0.406 nan 8.370 nan 0.000 0.465 57 Y N 1.402 121.705 120.300 0.004 0.000 2.145 57 Y HA -0.202 4.347 4.550 -0.002 0.000 0.286 57 Y C 2.143 178.023 175.900 -0.033 0.000 1.145 57 Y CA 1.102 59.210 58.100 0.014 0.000 1.148 57 Y CB -0.411 38.108 38.460 0.098 0.000 0.981 57 Y HN -0.061 nan 8.280 nan 0.000 0.507 58 L N 0.876 122.082 121.223 -0.028 0.000 2.017 58 L HA -0.050 4.289 4.340 -0.002 0.000 0.208 58 L C 2.451 179.213 176.870 -0.179 0.000 1.073 58 L CA 2.206 56.955 54.840 -0.152 0.000 0.745 58 L CB -1.494 40.536 42.059 -0.048 0.000 0.894 58 L HN 0.268 nan 8.230 nan 0.000 0.432 59 A N -0.641 122.114 122.820 -0.109 0.000 1.908 59 A HA -0.245 4.074 4.320 -0.002 0.000 0.218 59 A C 2.010 179.510 177.584 -0.139 0.000 1.181 59 A CA 1.987 53.961 52.037 -0.105 0.000 0.627 59 A CB -0.965 17.995 19.000 -0.065 0.000 0.818 59 A HN 0.561 nan 8.150 nan 0.000 0.445 60 D N -0.026 120.284 120.400 -0.149 0.000 2.144 60 D HA -0.115 4.524 4.640 -0.002 0.000 0.199 60 D C 1.895 178.068 176.300 -0.211 0.000 0.984 60 D CA 0.943 54.850 54.000 -0.154 0.000 0.834 60 D CB -0.315 40.407 40.800 -0.129 0.000 0.955 60 D HN 0.472 nan 8.370 nan 0.000 0.465 61 L N -0.024 121.013 121.223 -0.310 0.000 2.093 61 L HA -0.084 4.255 4.340 -0.002 0.000 0.208 61 L C 2.287 179.004 176.870 -0.255 0.000 1.085 61 L CA 0.682 55.335 54.840 -0.311 0.000 0.755 61 L CB -0.136 41.676 42.059 -0.412 0.000 0.904 61 L HN 0.050 nan 8.230 nan 0.000 0.435 62 L N -1.570 119.498 121.223 -0.259 0.000 2.354 62 L HA 0.015 4.354 4.340 -0.002 0.000 0.212 62 L C 2.584 179.255 176.870 -0.331 0.000 1.091 62 L CA 0.221 54.870 54.840 -0.319 0.000 0.828 62 L CB -0.320 41.559 42.059 -0.299 0.000 0.973 62 L HN 0.115 nan 8.230 nan 0.000 0.461 63 R N 0.630 120.996 120.500 -0.223 0.000 2.083 63 R HA -0.156 4.183 4.340 -0.002 0.000 0.237 63 R C -0.286 175.904 176.300 -0.184 0.000 1.137 63 R CA 1.687 57.680 56.100 -0.178 0.000 0.951 63 R CB -1.514 28.722 30.300 -0.107 0.000 0.851 63 R HN 0.285 nan 8.270 nan 0.000 0.434 64 P HA -0.174 nan 4.420 nan 0.000 0.214 64 P C 0.929 178.146 177.300 -0.140 0.000 1.163 64 P CA 1.932 64.960 63.100 -0.121 0.000 0.889 64 P CB -0.012 31.631 31.700 -0.096 0.000 0.790 65 A N -0.870 121.833 122.820 -0.194 0.000 1.929 65 A HA -0.136 4.183 4.320 -0.002 0.000 0.216 65 A C 2.217 179.662 177.584 -0.231 0.000 1.176 65 A CA 2.324 54.266 52.037 -0.160 0.000 0.628 65 A CB -1.845 17.060 19.000 -0.157 0.000 0.816 65 A HN 0.356 nan 8.150 nan 0.000 0.444 66 T N -4.592 109.603 114.554 -0.597 0.000 3.009 66 T HA 0.348 4.696 4.350 -0.002 0.000 0.258 66 T C 1.598 175.926 174.700 -0.620 0.000 1.063 66 T CA 1.278 62.843 62.100 -0.892 0.000 1.139 66 T CB -0.313 67.623 68.868 -1.554 0.000 0.890 66 T HN 1.688 nan 8.240 nan 0.000 0.471 67 G N 0.721 109.319 108.800 -0.336 0.000 2.148 67 G HA2 -0.221 3.738 3.960 -0.002 0.000 0.254 67 G HA3 -0.221 3.738 3.960 -0.002 0.000 0.254 67 G C -0.179 174.744 174.900 0.039 0.000 0.981 67 G CA 0.275 45.307 45.100 -0.114 0.000 0.670 67 G HN 0.602 nan 8.290 nan 0.000 0.528 68 Y N -0.462 119.794 120.300 -0.073 0.000 2.316 68 Y HA 0.559 5.108 4.550 -0.002 0.000 0.324 68 Y C 1.678 177.539 175.900 -0.064 0.000 1.267 68 Y CA -1.149 56.917 58.100 -0.057 0.000 1.311 68 Y CB 0.519 38.934 38.460 -0.075 0.000 1.267 68 Y HN 0.077 nan 8.280 nan 0.000 0.516 69 R N 1.068 121.641 120.500 0.120 0.000 2.066 69 R HA -0.038 4.301 4.340 -0.002 0.000 0.232 69 R C 0.091 176.386 176.300 -0.009 0.000 1.131 69 R CA 0.968 57.083 56.100 0.025 0.000 0.955 69 R CB -0.367 29.928 30.300 -0.009 0.000 0.851 69 R HN 0.854 nan 8.270 nan 0.000 0.432 70 L N 1.635 122.856 121.223 -0.003 0.000 3.823 70 L HA -0.140 4.199 4.340 -0.002 0.000 0.525 70 L C -2.162 174.650 176.870 -0.097 0.000 1.247 70 L CA -0.615 54.206 54.840 -0.031 0.000 0.776 70 L CB -1.179 40.875 42.059 -0.007 0.000 1.443 70 L HN 0.292 nan 8.230 nan 0.000 0.831 71 P HA 0.205 nan 4.420 nan 0.000 0.275 71 P C -0.278 176.913 177.300 -0.182 0.000 1.228 71 P CA -0.116 62.854 63.100 -0.217 0.000 0.786 71 P CB 1.491 32.975 31.700 -0.359 0.000 0.927 72 V N 3.552 123.399 119.914 -0.112 0.000 2.347 72 V HA 0.436 4.555 4.120 -0.002 0.000 0.280 72 V C 0.805 176.856 176.094 -0.072 0.000 1.021 72 V CA 0.003 62.258 62.300 -0.075 0.000 0.847 72 V CB 0.858 32.659 31.823 -0.037 0.000 0.990 72 V HN 0.850 nan 8.190 nan 0.000 0.444 73 T N 1.594 116.090 114.554 -0.098 0.000 2.883 73 T HA 0.723 5.072 4.350 -0.002 0.000 0.296 73 T C 0.171 174.819 174.700 -0.087 0.000 1.117 73 T CA -0.123 61.914 62.100 -0.106 0.000 1.006 73 T CB 2.277 70.943 68.868 -0.336 0.000 1.191 73 T HN 0.649 nan 8.240 nan 0.000 0.508 74 A N 1.324 124.156 122.820 0.020 0.000 2.507 74 A HA 0.419 4.737 4.320 -0.002 0.000 0.270 74 A C 0.531 178.167 177.584 0.086 0.000 1.318 74 A CA -0.384 51.679 52.037 0.043 0.000 0.924 74 A CB -0.781 18.261 19.000 0.070 0.000 1.061 74 A HN 0.988 nan 8.150 nan 0.000 0.516 75 H N -3.373 115.688 119.070 -0.015 0.000 2.980 75 H HA 0.628 5.183 4.556 -0.002 0.000 0.367 75 H C 0.237 175.543 175.328 -0.035 0.000 1.206 75 H CA -0.498 55.531 56.048 -0.032 0.000 1.126 75 H CB 0.716 30.473 29.762 -0.008 0.000 1.838 75 H HN 1.011 nan 8.280 nan 0.000 0.552 76 G N 0.889 109.661 108.800 -0.046 0.000 2.728 76 G HA2 -0.189 3.770 3.960 -0.002 0.000 0.294 76 G HA3 -0.189 3.770 3.960 -0.002 0.000 0.294 76 G C -1.367 173.367 174.900 -0.278 0.000 1.342 76 G CA -0.368 44.677 45.100 -0.092 0.000 0.866 76 G HN 0.973 nan 8.290 nan 0.000 0.534 77 H N 0.479 119.525 119.070 -0.040 0.000 2.369 77 H HA 0.516 5.071 4.556 -0.002 0.000 0.228 77 H C 1.262 176.554 175.328 -0.061 0.000 1.548 77 H CA 0.291 56.313 56.048 -0.043 0.000 1.275 77 H CB 0.353 30.094 29.762 -0.035 0.000 1.549 77 H HN 0.922 nan 8.280 nan 0.000 0.542 78 G N 0.058 108.859 108.800 0.001 0.000 2.474 78 G HA2 0.099 4.058 3.960 -0.002 0.000 0.233 78 G HA3 0.099 4.058 3.960 -0.002 0.000 0.233 78 G C 1.292 176.190 174.900 -0.004 0.000 1.278 78 G CA -0.000 45.107 45.100 0.013 0.000 0.861 78 G HN 0.660 nan 8.290 nan 0.000 0.567 79 G N 0.540 109.350 108.800 0.017 0.000 2.470 79 G HA2 -0.022 3.937 3.960 -0.002 0.000 0.220 79 G HA3 -0.022 3.937 3.960 -0.002 0.000 0.220 79 G C 0.669 175.425 174.900 -0.239 0.000 1.121 79 G CA 0.241 45.315 45.100 -0.043 0.000 0.766 79 G HN 0.545 nan 8.290 nan 0.000 0.553 80 I N 0.044 120.558 120.570 -0.093 0.000 2.411 80 I HA 0.387 4.556 4.170 -0.002 0.000 0.284 80 I C -0.308 175.766 176.117 -0.072 0.000 1.012 80 I CA -0.782 60.452 61.300 -0.110 0.000 1.119 80 I CB 2.009 39.992 38.000 -0.027 0.000 1.261 80 I HN -0.071 nan 8.210 nan 0.000 0.448 81 R N 7.218 127.666 120.500 -0.086 0.000 2.494 81 R HA 0.694 5.033 4.340 -0.002 0.000 0.305 81 R C -1.726 174.545 176.300 -0.049 0.000 0.959 81 R CA -0.516 55.549 56.100 -0.058 0.000 0.864 81 R CB 1.294 31.562 30.300 -0.052 0.000 1.159 81 R HN 0.594 nan 8.270 nan 0.000 0.446 82 L N 6.136 127.337 121.223 -0.037 0.000 2.294 82 L HA 0.577 4.916 4.340 -0.002 0.000 0.283 82 L C -0.256 176.603 176.870 -0.018 0.000 1.015 82 L CA -0.796 54.026 54.840 -0.031 0.000 0.831 82 L CB 1.304 43.347 42.059 -0.026 0.000 1.217 82 L HN 0.646 nan 8.230 nan 0.000 0.420 83 R N 3.771 124.266 120.500 -0.009 0.000 2.621 83 R HA 0.707 5.046 4.340 -0.002 0.000 0.292 83 R C -1.462 174.850 176.300 0.019 0.000 0.969 83 R CA -0.894 55.208 56.100 0.003 0.000 0.887 83 R CB 1.812 32.115 30.300 0.005 0.000 1.180 83 R HN 0.465 nan 8.270 nan 0.000 0.450 84 L N 2.672 123.908 121.223 0.022 0.000 2.260 84 L HA 0.716 5.055 4.340 -0.002 0.000 0.289 84 L C -0.087 176.810 176.870 0.045 0.000 1.057 84 L CA -0.356 54.506 54.840 0.036 0.000 0.811 84 L CB 1.405 43.480 42.059 0.026 0.000 1.184 84 L HN 0.951 nan 8.230 nan 0.000 0.429 85 A N 2.433 125.294 122.820 0.069 0.000 2.588 85 A HA 0.814 5.133 4.320 -0.002 0.000 0.290 85 A C -0.232 177.404 177.584 0.088 0.000 1.136 85 A CA -0.220 51.859 52.037 0.069 0.000 0.681 85 A CB 0.903 19.946 19.000 0.071 0.000 1.282 85 A HN 0.639 nan 8.150 nan 0.000 0.421 86 G N -1.230 107.607 108.800 0.062 0.000 2.606 86 G HA2 0.640 4.599 3.960 -0.002 0.000 0.252 86 G HA3 0.640 4.599 3.960 -0.002 0.000 0.252 86 G C 0.360 175.285 174.900 0.043 0.000 1.206 86 G CA 0.431 45.557 45.100 0.042 0.000 0.861 86 G HN 2.124 nan 8.290 nan 0.000 0.561 87 G N -0.238 108.539 108.800 -0.039 0.000 2.339 87 G HA2 0.429 4.388 3.960 -0.002 0.000 0.302 87 G HA3 0.429 4.388 3.960 -0.002 0.000 0.302 87 G C -2.974 171.679 174.900 -0.411 0.000 1.425 87 G CA -0.353 44.609 45.100 -0.230 0.000 0.899 87 G HN 0.553 nan 8.290 nan 0.000 0.619 88 P HA 0.269 nan 4.420 nan 0.000 0.214 88 P C -0.639 176.326 177.300 -0.558 0.000 1.807 88 P CA -0.025 62.765 63.100 -0.516 0.000 0.921 88 P CB -0.429 31.024 31.700 -0.412 0.000 1.835 89 Y N -0.395 119.896 120.300 -0.015 0.000 2.481 89 Y HA 0.346 4.895 4.550 -0.001 0.000 0.247 89 Y C 1.885 177.785 175.900 0.001 0.000 1.151 89 Y CA 0.138 58.231 58.100 -0.011 0.000 1.238 89 Y CB -0.277 38.196 38.460 0.022 0.000 1.179 89 Y HN 0.247 nan 8.280 nan 0.000 0.524 90 G N 0.876 109.724 108.800 0.080 0.000 2.641 90 G HA2 -0.313 3.646 3.960 -0.002 0.000 0.254 90 G HA3 -0.313 3.646 3.960 -0.002 0.000 0.254 90 G C 0.431 175.389 174.900 0.097 0.000 1.315 90 G CA 0.349 45.485 45.100 0.059 0.000 0.907 90 G HN 0.263 nan 8.290 nan 0.000 0.572 91 D N 0.659 121.108 120.400 0.082 0.000 2.347 91 D HA 0.083 4.722 4.640 -0.002 0.000 0.213 91 D C 1.941 178.316 176.300 0.125 0.000 0.985 91 D CA 1.383 55.436 54.000 0.089 0.000 0.879 91 D CB 0.306 41.151 40.800 0.074 0.000 0.919 91 D HN 0.693 nan 8.370 nan 0.000 0.526 92 E N -0.080 120.233 120.200 0.188 0.000 2.606 92 E HA 0.197 4.546 4.350 -0.002 0.000 0.224 92 E C 1.087 178.007 176.600 0.533 0.000 0.930 92 E CA -0.234 56.386 56.400 0.367 0.000 1.125 92 E CB 1.327 31.298 29.700 0.453 0.000 1.123 92 E HN 0.002 nan 8.360 nan 0.000 0.522 93 G N 0.878 109.879 108.800 0.335 0.000 2.588 93 G HA2 0.388 4.346 3.960 -0.002 0.000 0.281 93 G HA3 0.388 4.346 3.960 -0.002 0.000 0.281 93 G C -0.608 174.457 174.900 0.276 0.000 1.236 93 G CA -0.069 45.221 45.100 0.318 0.000 0.969 93 G HN 0.165 nan 8.290 nan 0.000 0.504 94 Y N -2.764 117.488 120.300 -0.080 0.000 2.779 94 Y HA 0.735 5.285 4.550 -0.001 0.000 0.340 94 Y C -0.872 174.591 175.900 -0.728 0.000 1.252 94 Y CA -1.579 56.254 58.100 -0.444 0.000 1.072 94 Y CB 1.204 39.575 38.460 -0.148 0.000 1.343 94 Y HN 0.689 nan 8.280 nan 0.000 0.450 95 R N 1.978 122.149 120.500 -0.549 0.000 2.621 95 R HA 0.755 5.094 4.340 -0.002 0.000 0.292 95 R C -2.308 174.020 176.300 0.046 0.000 0.969 95 R CA -0.981 54.915 56.100 -0.341 0.000 0.887 95 R CB 1.933 32.042 30.300 -0.319 0.000 1.180 95 R HN 0.969 nan 8.270 nan 0.000 0.450 96 L N 4.348 125.639 121.223 0.113 0.000 2.343 96 L HA 0.497 4.836 4.340 -0.002 0.000 0.278 96 L C -1.471 175.431 176.870 0.053 0.000 0.996 96 L CA -0.589 54.317 54.840 0.111 0.000 0.831 96 L CB 1.598 43.762 42.059 0.175 0.000 1.232 96 L HN 0.687 nan 8.230 nan 0.000 0.413 97 D N 3.353 123.766 120.400 0.021 0.000 2.217 97 D HA 0.338 4.977 4.640 -0.002 0.000 0.243 97 D C -0.949 175.349 176.300 -0.003 0.000 1.054 97 D CA -0.004 54.004 54.000 0.013 0.000 0.838 97 D CB 2.286 43.090 40.800 0.007 0.000 1.162 97 D HN 0.364 nan 8.370 nan 0.000 0.472 98 S N 1.020 116.731 115.700 0.018 0.000 2.538 98 S HA 0.827 5.296 4.470 -0.002 0.000 0.288 98 S C -0.370 174.264 174.600 0.056 0.000 1.108 98 S CA -0.404 57.815 58.200 0.032 0.000 0.971 98 S CB 1.526 64.768 63.200 0.069 0.000 1.041 98 S HN 0.634 nan 8.310 nan 0.000 0.483 99 G N 3.556 112.406 108.800 0.084 0.000 2.441 99 G HA2 0.450 4.409 3.960 -0.002 0.000 0.294 99 G HA3 0.450 4.409 3.960 -0.002 0.000 0.294 99 G C -2.922 172.085 174.900 0.178 0.000 1.393 99 G CA -0.763 44.399 45.100 0.104 0.000 0.796 99 G HN 0.391 nan 8.290 nan 0.000 0.494 100 P HA -0.038 nan 4.420 nan 0.000 0.218 100 P C 1.851 179.269 177.300 0.196 0.000 1.146 100 P CA 2.124 65.328 63.100 0.174 0.000 0.813 100 P CB 0.238 31.991 31.700 0.087 0.000 0.778 101 A N -1.425 121.457 122.820 0.104 0.000 2.206 101 A HA 0.429 4.748 4.320 -0.002 0.000 0.211 101 A C 1.163 178.734 177.584 -0.022 0.000 1.158 101 A CA 1.144 53.210 52.037 0.049 0.000 0.761 101 A CB -0.873 18.135 19.000 0.014 0.000 0.801 101 A HN 0.347 nan 8.150 nan 0.000 0.473 102 G N -2.730 105.996 108.800 -0.124 0.000 2.343 102 G HA2 0.247 4.206 3.960 -0.002 0.000 0.465 102 G HA3 0.247 4.206 3.960 -0.002 0.000 0.465 102 G C -1.125 173.402 174.900 -0.621 0.000 1.282 102 G CA -0.376 44.300 45.100 -0.707 0.000 0.996 102 G HN 0.687 nan 8.290 nan 0.000 0.521 103 V N 0.582 120.067 119.914 -0.716 0.000 2.448 103 V HA 0.769 4.888 4.120 -0.002 0.000 0.295 103 V C 0.134 176.108 176.094 -0.200 0.000 1.025 103 V CA -0.282 61.821 62.300 -0.328 0.000 0.859 103 V CB 1.717 33.400 31.823 -0.233 0.000 0.988 103 V HN 0.986 nan 8.190 nan 0.000 0.431 104 T N 6.294 120.782 114.554 -0.110 0.000 2.812 104 T HA 0.643 4.992 4.350 -0.002 0.000 0.282 104 T C -0.456 174.220 174.700 -0.040 0.000 0.990 104 T CA -0.198 61.860 62.100 -0.069 0.000 0.960 104 T CB 1.180 70.021 68.868 -0.044 0.000 0.948 104 T HN 0.377 nan 8.240 nan 0.000 0.438 105 I N 3.067 123.612 120.570 -0.041 0.000 2.362 105 I HA 0.367 4.535 4.170 -0.002 0.000 0.289 105 I C 0.032 176.138 176.117 -0.018 0.000 0.994 105 I CA -0.540 60.742 61.300 -0.030 0.000 1.158 105 I CB 1.703 39.653 38.000 -0.083 0.000 1.315 105 I HN 0.513 nan 8.210 nan 0.000 0.451 106 T N 5.315 119.860 114.554 -0.014 0.000 2.829 106 T HA 0.847 5.196 4.350 -0.002 0.000 0.280 106 T C -0.365 174.310 174.700 -0.041 0.000 0.999 106 T CA -0.585 61.510 62.100 -0.009 0.000 0.983 106 T CB 2.001 70.883 68.868 0.023 0.000 0.968 106 T HN 0.730 nan 8.240 nan 0.000 0.446 107 A N 2.090 124.937 122.820 0.045 0.000 2.599 107 A HA 0.623 4.941 4.320 -0.002 0.000 0.290 107 A C 0.485 178.153 177.584 0.140 0.000 1.101 107 A CA -0.829 51.270 52.037 0.103 0.000 0.674 107 A CB 1.135 20.187 19.000 0.088 0.000 1.277 107 A HN 0.733 nan 8.150 nan 0.000 0.419 108 R N -0.150 120.451 120.500 0.168 0.000 2.127 108 R HA 0.142 4.480 4.340 -0.002 0.000 0.217 108 R C 0.051 176.391 176.300 0.068 0.000 1.074 108 R CA 0.927 57.096 56.100 0.115 0.000 0.991 108 R CB 0.059 30.426 30.300 0.112 0.000 0.895 108 R HN 0.576 nan 8.270 nan 0.000 0.450 109 K N -1.275 119.158 120.400 0.055 0.000 2.444 109 K HA 0.429 4.748 4.320 -0.002 0.000 0.252 109 K C 0.232 176.811 176.600 -0.034 0.000 0.993 109 K CA -0.287 56.009 56.287 0.015 0.000 0.847 109 K CB 1.777 34.285 32.500 0.014 0.000 1.340 109 K HN -0.146 nan 8.250 nan 0.000 0.446 110 A N 1.023 123.812 122.820 -0.052 0.000 1.948 110 A HA -0.226 4.093 4.320 -0.002 0.000 0.220 110 A C 2.077 179.451 177.584 -0.350 0.000 1.177 110 A CA 2.527 54.501 52.037 -0.104 0.000 0.636 110 A CB -0.869 18.129 19.000 -0.003 0.000 0.815 110 A HN 0.791 nan 8.150 nan 0.000 0.449 111 A N -0.632 121.887 122.820 -0.502 0.000 1.940 111 A HA 0.076 4.395 4.320 -0.002 0.000 0.219 111 A C 2.396 179.610 177.584 -0.616 0.000 1.176 111 A CA 2.016 53.526 52.037 -0.878 0.000 0.631 111 A CB -1.332 17.385 19.000 -0.472 0.000 0.814 111 A HN 0.775 nan 8.150 nan 0.000 0.446 112 G N -0.343 108.338 108.800 -0.198 0.000 2.408 112 G HA2 -0.104 3.855 3.960 -0.002 0.000 0.217 112 G HA3 -0.104 3.855 3.960 -0.002 0.000 0.217 112 G C 1.534 176.418 174.900 -0.025 0.000 1.150 112 G CA 0.945 46.079 45.100 0.057 0.000 0.776 112 G HN 0.442 nan 8.290 nan 0.000 0.542 113 L N -0.890 120.273 121.223 -0.100 0.000 2.056 113 L HA 0.049 4.388 4.340 -0.002 0.000 0.207 113 L C 2.539 179.308 176.870 -0.169 0.000 1.078 113 L CA 0.796 55.566 54.840 -0.116 0.000 0.749 113 L CB -0.444 41.576 42.059 -0.064 0.000 0.901 113 L HN 0.202 nan 8.230 nan 0.000 0.433 114 F N 0.580 120.304 119.950 -0.377 0.000 2.134 114 F HA -0.246 4.280 4.527 -0.002 0.000 0.299 114 F C 2.519 178.147 175.800 -0.287 0.000 1.097 114 F CA 1.793 59.569 58.000 -0.373 0.000 1.264 114 F CB -0.303 38.347 39.000 -0.583 0.000 1.001 114 F HN 0.102 nan 8.300 nan 0.000 0.479 115 H N -1.436 117.544 119.070 -0.150 0.000 2.387 115 H HA -0.056 4.499 4.556 -0.002 0.000 0.299 115 H C 2.487 177.403 175.328 -0.686 0.000 1.090 115 H CA 0.562 56.436 56.048 -0.290 0.000 1.332 115 H CB -0.657 29.091 29.762 -0.024 0.000 1.386 115 H HN 0.423 nan 8.280 nan 0.000 0.516 116 G N 0.323 108.604 108.800 -0.866 0.000 2.422 116 G HA2 -0.225 3.734 3.960 -0.002 0.000 0.218 116 G HA3 -0.225 3.734 3.960 -0.002 0.000 0.218 116 G C 1.778 176.320 174.900 -0.596 0.000 1.146 116 G CA 0.990 45.329 45.100 -1.269 0.000 0.769 116 G HN 0.227 nan 8.290 nan 0.000 0.547 117 V N 0.527 120.184 119.914 -0.428 0.000 2.407 117 V HA -0.169 3.950 4.120 -0.002 0.000 0.248 117 V C 2.964 178.873 176.094 -0.308 0.000 1.055 117 V CA 1.756 63.872 62.300 -0.308 0.000 1.049 117 V CB -0.299 31.366 31.823 -0.263 0.000 0.662 117 V HN 0.303 nan 8.190 nan 0.000 0.455 118 Q N -0.371 119.203 119.800 -0.378 0.000 2.170 118 Q HA -0.153 4.186 4.340 -0.002 0.000 0.203 118 Q C 2.302 178.148 176.000 -0.257 0.000 0.976 118 Q CA 1.941 57.554 55.803 -0.317 0.000 0.858 118 Q CB -0.827 27.718 28.738 -0.322 0.000 0.907 118 Q HN 0.614 nan 8.270 nan 0.000 0.433 119 T N 1.530 115.923 114.554 -0.268 0.000 2.851 119 T HA -0.062 4.287 4.350 -0.002 0.000 0.262 119 T C 1.845 176.469 174.700 -0.127 0.000 1.043 119 T CA 0.602 62.599 62.100 -0.173 0.000 1.140 119 T CB -0.205 68.596 68.868 -0.113 0.000 0.872 119 T HN 0.120 nan 8.240 nan 0.000 0.446 120 L N 2.666 123.803 121.223 -0.143 0.000 2.042 120 L HA -0.096 4.243 4.340 -0.002 0.000 0.210 120 L C 2.476 179.314 176.870 -0.054 0.000 1.076 120 L CA 1.734 56.526 54.840 -0.080 0.000 0.749 120 L CB -0.504 41.500 42.059 -0.092 0.000 0.893 120 L HN 0.236 nan 8.230 nan 0.000 0.432 121 R N -1.101 119.343 120.500 -0.093 0.000 2.237 121 R HA -0.138 4.201 4.340 -0.002 0.000 0.219 121 R C 1.787 178.073 176.300 -0.023 0.000 1.080 121 R CA 1.424 57.490 56.100 -0.057 0.000 0.995 121 R CB -0.606 29.633 30.300 -0.102 0.000 0.875 121 R HN 0.547 nan 8.270 nan 0.000 0.462 122 Q N 0.538 120.282 119.800 -0.094 0.000 2.376 122 Q HA 0.174 4.513 4.340 -0.002 0.000 0.206 122 Q C 2.022 177.984 176.000 -0.064 0.000 0.921 122 Q CA 0.346 56.038 55.803 -0.186 0.000 0.911 122 Q CB 0.314 28.915 28.738 -0.230 0.000 1.032 122 Q HN 0.367 nan 8.270 nan 0.000 0.510 123 L N 0.381 121.604 121.223 0.000 0.000 2.240 123 L HA 0.011 4.350 4.340 -0.002 0.000 0.211 123 L C 0.960 177.898 176.870 0.114 0.000 1.106 123 L CA 0.334 55.202 54.840 0.046 0.000 0.793 123 L CB -0.055 42.029 42.059 0.041 0.000 0.927 123 L HN 0.155 nan 8.230 nan 0.000 0.446 124 L N 0.599 121.912 121.223 0.150 0.000 2.472 124 L HA 0.172 4.511 4.340 -0.002 0.000 0.260 124 L C -1.845 175.186 176.870 0.269 0.000 1.209 124 L CA -1.716 53.255 54.840 0.218 0.000 0.817 124 L CB 0.045 42.239 42.059 0.226 0.000 1.106 124 L HN -0.148 nan 8.230 nan 0.000 0.479 125 P HA 0.138 nan 4.420 nan 0.000 0.274 125 P C -2.404 174.772 177.300 -0.207 0.000 1.246 125 P CA -1.570 61.526 63.100 -0.006 0.000 0.795 125 P CB 0.277 31.912 31.700 -0.107 0.000 1.006 126 P HA -0.187 nan 4.420 nan 0.000 0.217 126 P C 1.471 178.577 177.300 -0.323 0.000 1.148 126 P CA 2.158 64.650 63.100 -1.013 0.000 0.828 126 P CB -0.553 30.611 31.700 -0.894 0.000 0.783 127 A N -0.614 122.112 122.820 -0.157 0.000 2.131 127 A HA -0.155 4.164 4.320 -0.002 0.000 0.220 127 A C 2.263 179.978 177.584 0.218 0.000 1.158 127 A CA 1.303 53.349 52.037 0.015 0.000 0.665 127 A CB -1.719 17.252 19.000 -0.047 0.000 0.795 127 A HN 0.183 nan 8.150 nan 0.000 0.460 128 V N 0.040 120.119 119.914 0.274 0.000 2.867 128 V HA -0.141 3.978 4.120 -0.002 0.000 0.260 128 V C 1.882 177.984 176.094 0.012 0.000 1.099 128 V CA 2.072 64.450 62.300 0.130 0.000 1.122 128 V CB -0.568 31.317 31.823 0.104 0.000 0.708 128 V HN 0.562 nan 8.190 nan 0.000 0.490 129 E N -0.126 120.095 120.200 0.035 0.000 2.435 129 E HA 0.034 4.383 4.350 -0.002 0.000 0.195 129 E C 0.800 177.404 176.600 0.006 0.000 1.029 129 E CA 0.098 56.512 56.400 0.024 0.000 0.865 129 E CB -0.015 29.717 29.700 0.053 0.000 0.833 129 E HN 0.526 nan 8.360 nan 0.000 0.510 130 K N 1.630 122.036 120.400 0.010 0.000 2.219 130 K HA -0.005 4.314 4.320 -0.002 0.000 0.258 130 K C 0.685 177.276 176.600 -0.016 0.000 1.008 130 K CA 0.118 56.408 56.287 0.004 0.000 0.928 130 K CB 0.418 32.930 32.500 0.020 0.000 0.983 130 K HN 0.023 nan 8.250 nan 0.000 0.484 131 D N -2.051 118.340 120.400 -0.014 0.000 2.349 131 D HA -0.043 4.596 4.640 -0.002 0.000 0.214 131 D C 0.062 176.348 176.300 -0.024 0.000 1.063 131 D CA -0.261 53.724 54.000 -0.025 0.000 0.847 131 D CB 0.211 41.002 40.800 -0.016 0.000 0.933 131 D HN 0.285 nan 8.370 nan 0.000 0.513 132 S N -0.600 115.092 115.700 -0.014 0.000 2.536 132 S HA 0.731 5.200 4.470 -0.002 0.000 0.298 132 S C 0.135 174.734 174.600 -0.002 0.000 1.083 132 S CA -0.862 57.332 58.200 -0.010 0.000 0.995 132 S CB 1.788 64.985 63.200 -0.004 0.000 1.058 132 S HN 0.308 nan 8.310 nan 0.000 0.488 133 A N 2.658 125.475 122.820 -0.005 0.000 2.584 133 A HA 0.387 4.706 4.320 -0.002 0.000 0.239 133 A C 0.243 177.857 177.584 0.050 0.000 1.043 133 A CA 0.218 52.261 52.037 0.010 0.000 0.756 133 A CB -0.207 18.799 19.000 0.009 0.000 0.963 133 A HN 0.751 nan 8.150 nan 0.000 0.511 134 Q N 1.636 121.513 119.800 0.129 0.000 2.399 134 Q HA 0.384 4.723 4.340 -0.002 0.000 0.276 134 Q C -2.031 174.002 176.000 0.055 0.000 1.098 134 Q CA -1.815 54.049 55.803 0.101 0.000 0.827 134 Q CB 0.921 29.749 28.738 0.150 0.000 1.386 134 Q HN 0.463 nan 8.270 nan 0.000 0.443 135 P HA -0.031 nan 4.420 nan 0.000 0.221 135 P C 0.392 177.443 177.300 -0.414 0.000 1.150 135 P CA 1.484 64.486 63.100 -0.163 0.000 0.800 135 P CB 0.317 31.927 31.700 -0.150 0.000 0.787 136 G N -0.921 107.400 108.800 -0.798 0.000 2.488 136 G HA2 -0.141 3.818 3.960 -0.002 0.000 0.237 136 G HA3 -0.141 3.818 3.960 -0.002 0.000 0.237 136 G C -2.510 171.940 174.900 -0.750 0.000 1.209 136 G CA -0.438 43.780 45.100 -1.469 0.000 0.929 136 G HN 0.098 nan 8.290 nan 0.000 0.578 137 P HA 0.383 nan 4.420 nan 0.000 0.274 137 P C -0.585 176.346 177.300 -0.616 0.000 1.231 137 P CA -0.065 62.710 63.100 -0.543 0.000 0.790 137 P CB 0.313 31.858 31.700 -0.258 0.000 0.951 138 W N 2.212 123.491 121.300 -0.035 0.000 1.714 138 W HA 0.335 4.993 4.660 -0.002 0.000 0.363 138 W C -0.443 176.051 176.519 -0.041 0.000 0.724 138 W CA -0.567 56.760 57.345 -0.030 0.000 1.804 138 W CB -0.366 29.095 29.460 0.003 0.000 1.900 138 W HN 0.078 nan 8.180 nan 0.000 0.296 139 L N 1.780 123.055 121.223 0.088 0.000 2.375 139 L HA 0.554 4.893 4.340 -0.002 0.000 0.271 139 L C 0.170 177.103 176.870 0.105 0.000 1.107 139 L CA -1.016 53.855 54.840 0.053 0.000 0.806 139 L CB 0.898 42.955 42.059 -0.003 0.000 1.146 139 L HN -0.175 nan 8.230 nan 0.000 0.447 140 V N 2.356 122.340 119.914 0.117 0.000 2.447 140 V HA 0.397 4.516 4.120 -0.002 0.000 0.292 140 V C 0.397 176.556 176.094 0.108 0.000 1.021 140 V CA -0.904 61.477 62.300 0.134 0.000 0.850 140 V CB 1.472 33.415 31.823 0.201 0.000 1.005 140 V HN 0.915 nan 8.190 nan 0.000 0.426 141 A N 3.673 126.537 122.820 0.073 0.000 2.609 141 A HA 0.449 4.768 4.320 -0.002 0.000 0.232 141 A C 0.998 178.621 177.584 0.064 0.000 1.041 141 A CA 0.935 53.005 52.037 0.055 0.000 0.753 141 A CB 0.083 19.106 19.000 0.037 0.000 0.966 141 A HN 1.250 nan 8.150 nan 0.000 0.510 142 G N 0.033 108.866 108.800 0.055 0.000 2.476 142 G HA2 0.676 4.635 3.960 -0.002 0.000 0.269 142 G HA3 0.676 4.635 3.960 -0.002 0.000 0.269 142 G C 0.428 175.353 174.900 0.042 0.000 1.195 142 G CA 0.388 45.522 45.100 0.056 0.000 0.843 142 G HN 2.203 nan 8.290 nan 0.000 0.545 143 G N -0.835 107.989 108.800 0.040 0.000 2.293 143 G HA2 0.412 4.371 3.960 -0.002 0.000 0.282 143 G HA3 0.412 4.371 3.960 -0.002 0.000 0.282 143 G C -0.706 174.215 174.900 0.035 0.000 1.299 143 G CA -0.143 44.977 45.100 0.034 0.000 1.018 143 G HN 1.050 nan 8.290 nan 0.000 0.478 144 T N 0.292 114.866 114.554 0.034 0.000 2.893 144 T HA 0.698 5.047 4.350 -0.002 0.000 0.293 144 T C -0.420 174.302 174.700 0.036 0.000 1.027 144 T CA -0.285 61.836 62.100 0.036 0.000 0.988 144 T CB 1.481 70.369 68.868 0.034 0.000 1.043 144 T HN 0.605 nan 8.240 nan 0.000 0.461 145 I N 2.416 123.009 120.570 0.039 0.000 2.498 145 I HA 0.394 4.563 4.170 -0.002 0.000 0.290 145 I C -0.305 175.786 176.117 -0.043 0.000 1.032 145 I CA -0.711 60.605 61.300 0.027 0.000 1.073 145 I CB 2.061 40.111 38.000 0.083 0.000 1.251 145 I HN 0.522 nan 8.210 nan 0.000 0.426 146 E N 4.790 124.955 120.200 -0.060 0.000 2.191 146 E HA 0.398 4.747 4.350 -0.002 0.000 0.263 146 E C -1.548 174.966 176.600 -0.142 0.000 0.881 146 E CA -0.707 55.641 56.400 -0.088 0.000 0.757 146 E CB 2.608 32.357 29.700 0.082 0.000 1.147 146 E HN 0.343 nan 8.360 nan 0.000 0.414 147 D N 2.007 122.187 120.400 -0.366 0.000 2.896 147 D HA 0.351 4.990 4.640 -0.002 0.000 0.241 147 D C -1.338 174.913 176.300 -0.082 0.000 1.188 147 D CA -0.286 53.590 54.000 -0.206 0.000 0.879 147 D CB 1.803 42.419 40.800 -0.307 0.000 1.553 147 D HN 0.422 nan 8.370 nan 0.000 0.515 148 T N 0.371 114.870 114.554 -0.092 0.000 2.900 148 T HA 0.722 5.071 4.350 -0.002 0.000 0.303 148 T C -2.931 171.229 174.700 -0.900 0.000 1.142 148 T CA -1.714 60.201 62.100 -0.310 0.000 1.007 148 T CB 2.236 71.001 68.868 -0.171 0.000 1.156 148 T HN 0.118 nan 8.240 nan 0.000 0.490 149 P HA 0.320 nan 4.420 nan 0.000 0.278 149 P C 0.260 177.151 177.300 -0.683 0.000 1.238 149 P CA -0.634 61.614 63.100 -1.420 0.000 0.794 149 P CB 1.902 32.948 31.700 -1.091 0.000 0.955 150 R N 1.808 121.967 120.500 -0.568 0.000 2.075 150 R HA 0.005 4.344 4.340 -0.002 0.000 0.226 150 R C -0.015 175.957 176.300 -0.548 0.000 1.114 150 R CA 1.097 56.888 56.100 -0.516 0.000 0.972 150 R CB -0.009 29.977 30.300 -0.524 0.000 0.869 150 R HN 0.458 nan 8.270 nan 0.000 0.437 151 Y N -1.734 118.493 120.300 -0.122 0.000 2.485 151 Y HA 0.456 5.005 4.550 -0.001 0.000 0.345 151 Y C 0.590 176.495 175.900 0.009 0.000 0.998 151 Y CA -0.646 57.440 58.100 -0.024 0.000 1.059 151 Y CB 2.066 40.544 38.460 0.030 0.000 1.234 151 Y HN -0.007 nan 8.280 nan 0.000 0.461 152 A N 1.984 124.955 122.820 0.251 0.000 2.132 152 A HA -0.020 4.298 4.320 -0.002 0.000 0.213 152 A C 0.107 177.829 177.584 0.231 0.000 1.154 152 A CA 0.186 52.340 52.037 0.195 0.000 0.753 152 A CB 0.063 19.172 19.000 0.182 0.000 0.826 152 A HN 0.698 nan 8.150 nan 0.000 0.469 153 W N 1.835 123.200 121.300 0.108 0.000 2.282 153 W HA 0.533 5.191 4.660 -0.002 0.000 0.322 153 W C -1.053 175.522 176.519 0.094 0.000 1.011 153 W CA -0.606 56.775 57.345 0.059 0.000 1.392 153 W CB 0.315 29.760 29.460 -0.024 0.000 1.215 153 W HN 0.089 nan 8.180 nan 0.000 0.394 154 R N 4.327 124.877 120.500 0.085 0.000 2.487 154 R HA 0.268 4.607 4.340 -0.002 0.000 0.288 154 R C -0.242 176.222 176.300 0.273 0.000 1.394 154 R CA -0.221 56.001 56.100 0.203 0.000 1.155 154 R CB 1.385 31.768 30.300 0.140 0.000 1.156 154 R HN 0.327 nan 8.270 nan 0.000 0.553 155 S N 0.469 116.381 115.700 0.352 0.000 2.677 155 S HA 0.909 5.378 4.470 -0.002 0.000 0.304 155 S C -0.593 174.135 174.600 0.213 0.000 1.108 155 S CA -0.937 57.421 58.200 0.263 0.000 0.944 155 S CB 2.417 65.650 63.200 0.055 0.000 1.127 155 S HN 0.492 nan 8.310 nan 0.000 0.511 156 A N 1.351 124.129 122.820 -0.069 0.000 2.393 156 A HA 0.753 5.072 4.320 -0.002 0.000 0.306 156 A C -0.802 176.749 177.584 -0.055 0.000 1.050 156 A CA -0.731 51.186 52.037 -0.199 0.000 0.724 156 A CB 1.504 20.169 19.000 -0.558 0.000 1.248 156 A HN 0.973 nan 8.150 nan 0.000 0.424 157 M N 2.666 122.200 119.600 -0.109 0.000 2.436 157 M HA 0.702 5.181 4.480 -0.002 0.000 0.331 157 M C -2.032 174.045 176.300 -0.372 0.000 1.135 157 M CA -1.017 54.122 55.300 -0.269 0.000 0.987 157 M CB 1.528 33.819 32.600 -0.514 0.000 1.687 157 M HN 0.695 nan 8.290 nan 0.000 0.445 158 L N 4.446 125.450 121.223 -0.364 0.000 2.356 158 L HA 0.465 4.804 4.340 -0.002 0.000 0.277 158 L C -1.178 175.490 176.870 -0.336 0.000 0.996 158 L CA -0.133 54.455 54.840 -0.420 0.000 0.822 158 L CB 1.565 43.395 42.059 -0.381 0.000 1.256 158 L HN 0.643 nan 8.230 nan 0.000 0.413 159 D N 3.722 123.915 120.400 -0.346 0.000 2.365 159 D HA 0.175 4.814 4.640 -0.002 0.000 0.237 159 D C 0.629 176.987 176.300 0.097 0.000 1.190 159 D CA -0.103 53.822 54.000 -0.126 0.000 0.867 159 D CB 1.128 41.863 40.800 -0.108 0.000 1.050 159 D HN 0.401 nan 8.370 nan 0.000 0.491 160 V N 1.342 121.363 119.914 0.179 0.000 3.444 160 V HA 0.202 4.320 4.120 -0.002 0.000 0.308 160 V C 1.325 177.587 176.094 0.280 0.000 1.371 160 V CA 0.017 62.492 62.300 0.292 0.000 1.141 160 V CB 0.107 32.112 31.823 0.302 0.000 1.037 160 V HN 0.293 nan 8.190 nan 0.000 0.433 161 S N 0.905 116.749 115.700 0.240 0.000 2.387 161 S HA 0.082 4.551 4.470 -0.002 0.000 0.221 161 S C 2.032 176.721 174.600 0.148 0.000 1.041 161 S CA 0.761 59.075 58.200 0.190 0.000 0.959 161 S CB -0.116 63.212 63.200 0.214 0.000 0.843 161 S HN 0.486 nan 8.310 nan 0.000 0.488 162 R N 0.967 121.563 120.500 0.160 0.000 2.073 162 R HA 0.126 4.465 4.340 -0.002 0.000 0.234 162 R C 0.149 176.342 176.300 -0.178 0.000 1.134 162 R CA 1.304 57.424 56.100 0.034 0.000 0.952 162 R CB -0.439 29.933 30.300 0.118 0.000 0.850 162 R HN 0.473 nan 8.270 nan 0.000 0.433 163 H N -2.234 116.909 119.070 0.122 0.000 2.689 163 H HA 0.271 4.825 4.556 -0.002 0.000 0.346 163 H C -1.351 173.935 175.328 -0.069 0.000 1.037 163 H CA -0.913 55.126 56.048 -0.016 0.000 1.234 163 H CB 1.377 31.091 29.762 -0.079 0.000 1.572 163 H HN -0.044 nan 8.280 nan 0.000 0.524 164 F N 3.445 123.283 119.950 -0.187 0.000 2.429 164 F HA 0.392 4.918 4.527 -0.002 0.000 0.348 164 F C -1.255 174.268 175.800 -0.462 0.000 1.109 164 F CA -0.514 57.371 58.000 -0.191 0.000 1.232 164 F CB 0.225 39.129 39.000 -0.161 0.000 1.157 164 F HN 0.375 nan 8.300 nan 0.000 0.564 165 F N 3.737 123.150 119.950 -0.895 0.000 2.518 165 F HA 0.521 5.047 4.527 -0.002 0.000 0.323 165 F C 0.684 175.897 175.800 -0.977 0.000 1.129 165 F CA -0.804 56.800 58.000 -0.660 0.000 0.920 165 F CB 1.400 40.225 39.000 -0.292 0.000 1.160 165 F HN 0.681 nan 8.300 nan 0.000 0.440 166 G N 1.441 109.948 108.800 -0.488 0.000 2.684 166 G HA2 0.299 4.258 3.960 -0.002 0.000 0.255 166 G HA3 0.299 4.258 3.960 -0.002 0.000 0.255 166 G C 0.977 175.907 174.900 0.051 0.000 1.219 166 G CA -0.602 44.405 45.100 -0.154 0.000 0.901 166 G HN 0.520 nan 8.290 nan 0.000 0.548 167 V N 0.447 120.439 119.914 0.130 0.000 2.250 167 V HA -0.211 3.908 4.120 -0.002 0.000 0.250 167 V C 2.583 178.628 176.094 -0.082 0.000 1.060 167 V CA 2.473 64.767 62.300 -0.010 0.000 1.030 167 V CB -0.490 31.326 31.823 -0.011 0.000 0.643 167 V HN 0.642 nan 8.190 nan 0.000 0.445 168 D N -0.450 119.917 120.400 -0.055 0.000 2.144 168 D HA -0.147 4.492 4.640 -0.002 0.000 0.199 168 D C 2.242 178.511 176.300 -0.051 0.000 0.984 168 D CA 1.240 55.190 54.000 -0.083 0.000 0.834 168 D CB -0.180 40.594 40.800 -0.043 0.000 0.955 168 D HN 0.600 nan 8.370 nan 0.000 0.465 169 E N 0.102 120.304 120.200 0.003 0.000 2.152 169 E HA -0.073 4.276 4.350 -0.002 0.000 0.192 169 E C 2.229 178.841 176.600 0.020 0.000 0.983 169 E CA 0.330 56.759 56.400 0.049 0.000 0.818 169 E CB 0.261 30.059 29.700 0.162 0.000 0.758 169 E HN 0.082 nan 8.360 nan 0.000 0.467 170 V N 1.602 121.512 119.914 -0.007 0.000 2.379 170 V HA -0.227 3.892 4.120 -0.002 0.000 0.245 170 V C 2.051 178.140 176.094 -0.008 0.000 1.044 170 V CA 1.596 63.889 62.300 -0.012 0.000 1.036 170 V CB -0.318 31.472 31.823 -0.055 0.000 0.664 170 V HN 0.169 nan 8.190 nan 0.000 0.453 171 K N 0.021 120.348 120.400 -0.122 0.000 2.097 171 K HA -0.216 4.103 4.320 -0.002 0.000 0.206 171 K C 2.354 178.949 176.600 -0.008 0.000 1.049 171 K CA 1.620 57.764 56.287 -0.237 0.000 0.933 171 K CB -0.248 31.816 32.500 -0.726 0.000 0.717 171 K HN 0.351 nan 8.250 nan 0.000 0.442 172 R N 0.108 120.612 120.500 0.006 0.000 2.081 172 R HA -0.197 4.142 4.340 -0.002 0.000 0.235 172 R C 2.172 178.546 176.300 0.122 0.000 1.131 172 R CA 1.429 57.572 56.100 0.072 0.000 0.960 172 R CB -0.376 29.962 30.300 0.063 0.000 0.856 172 R HN 0.185 nan 8.270 nan 0.000 0.436 173 Y N 0.994 121.288 120.300 -0.010 0.000 2.242 173 Y HA -0.093 4.456 4.550 -0.002 0.000 0.291 173 Y C 1.909 177.826 175.900 0.029 0.000 1.137 173 Y CA 1.388 59.479 58.100 -0.015 0.000 1.181 173 Y CB -0.073 38.320 38.460 -0.112 0.000 0.989 173 Y HN 0.051 nan 8.280 nan 0.000 0.527 174 I N -0.189 120.433 120.570 0.088 0.000 2.208 174 I HA -0.340 3.829 4.170 -0.002 0.000 0.245 174 I C 1.848 178.013 176.117 0.080 0.000 1.097 174 I CA 1.672 63.018 61.300 0.076 0.000 1.363 174 I CB -0.335 37.788 38.000 0.206 0.000 1.051 174 I HN 0.184 nan 8.210 nan 0.000 0.413 175 D N 0.388 120.876 120.400 0.146 0.000 2.178 175 D HA -0.123 4.515 4.640 -0.002 0.000 0.202 175 D C 2.304 178.650 176.300 0.078 0.000 0.974 175 D CA 0.785 54.878 54.000 0.154 0.000 0.841 175 D CB -0.190 40.722 40.800 0.185 0.000 0.953 175 D HN 0.219 nan 8.370 nan 0.000 0.478 176 R N 0.765 121.278 120.500 0.022 0.000 2.073 176 R HA -0.086 4.252 4.340 -0.002 0.000 0.234 176 R C 2.549 178.882 176.300 0.055 0.000 1.134 176 R CA 0.930 57.080 56.100 0.082 0.000 0.952 176 R CB -1.270 29.044 30.300 0.025 0.000 0.850 176 R HN 0.315 nan 8.270 nan 0.000 0.433 177 V N -1.392 118.439 119.914 -0.138 0.000 2.548 177 V HA 0.078 4.197 4.120 -0.002 0.000 0.249 177 V C 2.285 178.484 176.094 0.175 0.000 1.055 177 V CA 1.523 63.812 62.300 -0.018 0.000 1.065 177 V CB -0.928 30.699 31.823 -0.327 0.000 0.681 177 V HN 0.160 nan 8.190 nan 0.000 0.462 178 A N 0.755 123.637 122.820 0.104 0.000 2.024 178 A HA -0.171 4.148 4.320 -0.002 0.000 0.220 178 A C 2.352 179.952 177.584 0.026 0.000 1.164 178 A CA 1.863 54.004 52.037 0.174 0.000 0.643 178 A CB -0.650 18.501 19.000 0.252 0.000 0.806 178 A HN 0.608 nan 8.150 nan 0.000 0.451 179 R N -1.870 118.516 120.500 -0.190 0.000 2.127 179 R HA -0.155 4.183 4.340 -0.002 0.000 0.238 179 R C 0.494 176.349 176.300 -0.743 0.000 1.134 179 R CA 1.575 57.342 56.100 -0.554 0.000 0.975 179 R CB -0.291 29.471 30.300 -0.896 0.000 0.865 179 R HN 0.706 nan 8.270 nan 0.000 0.447 180 Y N -0.103 120.254 120.300 0.094 0.000 2.607 180 Y HA 0.267 4.815 4.550 -0.002 0.000 0.266 180 Y C 0.070 175.855 175.900 -0.192 0.000 1.178 180 Y CA -0.660 57.421 58.100 -0.032 0.000 1.226 180 Y CB 0.109 38.595 38.460 0.044 0.000 1.144 180 Y HN -0.109 nan 8.280 nan 0.000 0.528 181 K N -1.730 118.624 120.400 -0.077 0.000 3.281 181 K HA -0.255 4.064 4.320 -0.002 0.000 0.295 181 K C -0.803 175.802 176.600 0.007 0.000 1.233 181 K CA 0.351 56.536 56.287 -0.171 0.000 0.866 181 K CB -2.189 29.874 32.500 -0.728 0.000 1.265 181 K HN 0.320 nan 8.250 nan 0.000 0.482 182 Y N 1.676 122.040 120.300 0.108 0.000 2.457 182 Y HA -0.027 4.522 4.550 -0.001 0.000 0.341 182 Y C 1.726 177.697 175.900 0.118 0.000 1.240 182 Y CA 0.855 59.022 58.100 0.112 0.000 1.437 182 Y CB 0.344 38.855 38.460 0.086 0.000 1.328 182 Y HN 0.259 nan 8.280 nan 0.000 0.588 183 N N -0.226 118.612 118.700 0.229 0.000 2.143 183 N HA 0.136 4.875 4.740 -0.002 0.000 0.222 183 N C -1.038 174.469 175.510 -0.005 0.000 1.264 183 N CA -0.219 52.919 53.050 0.146 0.000 0.897 183 N CB 0.533 39.124 38.487 0.173 0.000 1.092 183 N HN 0.440 nan 8.380 nan 0.000 0.516 184 K N 0.400 120.766 120.400 -0.056 0.000 2.468 184 K HA 0.408 4.727 4.320 -0.002 0.000 0.252 184 K C -1.864 174.689 176.600 -0.078 0.000 0.932 184 K CA -0.774 55.400 56.287 -0.188 0.000 0.794 184 K CB 2.662 34.803 32.500 -0.597 0.000 1.241 184 K HN -0.022 nan 8.250 nan 0.000 0.428 185 L N 3.165 124.363 121.223 -0.041 0.000 2.318 185 L HA 0.293 4.632 4.340 -0.002 0.000 0.277 185 L C -0.843 176.083 176.870 0.093 0.000 1.008 185 L CA -0.242 54.607 54.840 0.014 0.000 0.846 185 L CB 0.734 42.796 42.059 0.006 0.000 1.220 185 L HN 0.663 nan 8.230 nan 0.000 0.423 186 H N 6.039 125.107 119.070 -0.004 0.000 2.652 186 H HA 0.416 4.971 4.556 -0.002 0.000 0.298 186 H C -1.266 174.061 175.328 -0.002 0.000 1.076 186 H CA -0.792 55.272 56.048 0.026 0.000 1.360 186 H CB 0.797 30.584 29.762 0.043 0.000 1.421 186 H HN 0.593 nan 8.280 nan 0.000 0.464 187 L N 5.909 127.250 121.223 0.196 0.000 2.280 187 L HA 0.106 4.445 4.340 -0.002 0.000 0.287 187 L C -0.272 176.623 176.870 0.042 0.000 1.023 187 L CA -0.765 54.115 54.840 0.067 0.000 0.819 187 L CB 1.107 43.269 42.059 0.172 0.000 1.212 187 L HN 0.713 nan 8.230 nan 0.000 0.420 188 H N 4.063 123.006 119.070 -0.212 0.000 3.014 188 H HA 0.219 4.774 4.556 -0.002 0.000 0.266 188 H C 0.725 176.026 175.328 -0.046 0.000 1.455 188 H CA -0.051 55.902 56.048 -0.157 0.000 1.402 188 H CB 0.409 30.020 29.762 -0.252 0.000 1.626 188 H HN 0.569 nan 8.280 nan 0.000 0.520 189 L N 2.364 123.483 121.223 -0.174 0.000 2.478 189 L HA 0.047 4.386 4.340 -0.002 0.000 0.223 189 L C 0.469 177.099 176.870 -0.400 0.000 1.140 189 L CA 0.440 55.165 54.840 -0.193 0.000 0.842 189 L CB -0.162 41.770 42.059 -0.211 0.000 0.953 189 L HN 0.530 nan 8.230 nan 0.000 0.452 190 S N -2.601 112.797 115.700 -0.503 0.000 2.550 190 S HA 0.626 5.094 4.470 -0.002 0.000 0.270 190 S C -1.040 173.418 174.600 -0.236 0.000 1.145 190 S CA -0.950 56.994 58.200 -0.427 0.000 0.852 190 S CB 3.319 66.059 63.200 -0.765 0.000 1.119 190 S HN 0.049 nan 8.310 nan 0.000 0.465 191 D N -0.609 119.804 120.400 0.022 0.000 3.182 191 D HA 0.222 4.861 4.640 -0.002 0.000 0.352 191 D C -0.515 175.902 176.300 0.195 0.000 1.421 191 D CA -0.362 53.735 54.000 0.162 0.000 0.912 191 D CB 1.044 42.005 40.800 0.269 0.000 1.461 191 D HN 0.489 nan 8.370 nan 0.000 0.548 192 D N -0.196 120.333 120.400 0.215 0.000 2.183 192 D HA -0.089 4.550 4.640 -0.002 0.000 0.203 192 D C 1.215 177.705 176.300 0.317 0.000 0.969 192 D CA 1.267 55.397 54.000 0.217 0.000 0.842 192 D CB 0.263 41.159 40.800 0.160 0.000 0.957 192 D HN 0.213 nan 8.370 nan 0.000 0.484 193 Q N -0.190 119.775 119.800 0.275 0.000 2.403 193 Q HA 0.350 4.689 4.340 -0.002 0.000 0.203 193 Q C 0.566 176.625 176.000 0.099 0.000 0.932 193 Q CA 0.035 55.939 55.803 0.168 0.000 0.945 193 Q CB 1.350 30.128 28.738 0.066 0.000 1.045 193 Q HN 0.136 nan 8.270 nan 0.000 0.511 194 G N -0.986 107.896 108.800 0.136 0.000 2.404 194 G HA2 0.254 4.213 3.960 -0.002 0.000 0.298 194 G HA3 0.254 4.213 3.960 -0.002 0.000 0.298 194 G C -2.438 172.567 174.900 0.174 0.000 1.577 194 G CA -0.891 44.282 45.100 0.121 0.000 0.847 194 G HN 0.075 nan 8.290 nan 0.000 0.598 195 W N 2.965 124.269 121.300 0.005 0.000 2.411 195 W HA 0.527 5.186 4.660 -0.002 0.000 0.317 195 W C -0.425 176.083 176.519 -0.018 0.000 1.030 195 W CA -1.006 56.344 57.345 0.010 0.000 1.239 195 W CB 1.661 31.135 29.460 0.023 0.000 1.304 195 W HN 0.446 nan 8.180 nan 0.000 0.437 196 R N 5.139 125.510 120.500 -0.216 0.000 2.507 196 R HA 0.185 4.523 4.340 -0.002 0.000 0.298 196 R C -0.514 175.796 176.300 0.016 0.000 0.999 196 R CA -0.423 55.624 56.100 -0.088 0.000 1.082 196 R CB 0.180 30.443 30.300 -0.061 0.000 1.246 196 R HN 0.382 nan 8.270 nan 0.000 0.553 197 I N -0.004 120.576 120.570 0.017 0.000 2.534 197 I HA 0.428 4.597 4.170 -0.002 0.000 0.288 197 I C -0.887 175.412 176.117 0.304 0.000 1.077 197 I CA -1.239 60.152 61.300 0.153 0.000 1.051 197 I CB 1.878 39.835 38.000 -0.071 0.000 1.234 197 I HN 0.100 nan 8.210 nan 0.000 0.425 198 A N 8.114 131.085 122.820 0.251 0.000 2.492 198 A HA 0.521 4.840 4.320 -0.002 0.000 0.254 198 A C -0.479 177.204 177.584 0.163 0.000 1.091 198 A CA 0.088 52.221 52.037 0.161 0.000 0.768 198 A CB -0.297 18.817 19.000 0.190 0.000 1.028 198 A HN 0.526 nan 8.150 nan 0.000 0.498 199 I N 3.561 124.221 120.570 0.149 0.000 2.390 199 I HA 0.154 4.323 4.170 -0.002 0.000 0.283 199 I C 0.141 176.324 176.117 0.111 0.000 1.016 199 I CA -0.445 60.935 61.300 0.133 0.000 1.151 199 I CB 1.087 39.171 38.000 0.140 0.000 1.293 199 I HN 0.699 nan 8.210 nan 0.000 0.458 200 D N 3.153 123.604 120.400 0.086 0.000 2.116 200 D HA -0.179 4.460 4.640 -0.002 0.000 0.193 200 D C 1.969 178.294 176.300 0.042 0.000 0.998 200 D CA 1.839 55.875 54.000 0.060 0.000 0.836 200 D CB 0.187 41.015 40.800 0.045 0.000 0.951 200 D HN 0.602 nan 8.370 nan 0.000 0.449 201 S N -0.965 114.772 115.700 0.062 0.000 2.442 201 S HA -0.162 4.306 4.470 -0.002 0.000 0.236 201 S C 0.525 174.991 174.600 -0.223 0.000 1.007 201 S CA 0.486 58.667 58.200 -0.031 0.000 0.965 201 S CB -0.400 62.851 63.200 0.085 0.000 0.773 201 S HN 0.276 nan 8.310 nan 0.000 0.504 202 W N 1.246 122.502 121.300 -0.074 0.000 2.036 202 W HA 0.485 5.144 4.660 -0.002 0.000 0.294 202 W C -2.569 173.968 176.519 0.030 0.000 0.948 202 W CA -2.245 55.048 57.345 -0.087 0.000 1.774 202 W CB 0.770 30.065 29.460 -0.276 0.000 1.950 202 W HN 0.067 nan 8.180 nan 0.000 0.384 203 P HA -0.235 nan 4.420 nan 0.000 0.216 203 P C 1.571 178.919 177.300 0.081 0.000 1.154 203 P CA 2.100 65.263 63.100 0.104 0.000 0.865 203 P CB 0.328 32.063 31.700 0.059 0.000 0.789 204 R N -1.004 119.593 120.500 0.162 0.000 2.237 204 R HA -0.016 4.323 4.340 -0.002 0.000 0.219 204 R C 2.240 178.573 176.300 0.055 0.000 1.080 204 R CA 0.670 56.779 56.100 0.015 0.000 0.995 204 R CB -0.801 29.290 30.300 -0.348 0.000 0.875 204 R HN 0.266 nan 8.270 nan 0.000 0.462 205 L N -0.122 121.147 121.223 0.077 0.000 2.012 205 L HA -0.233 4.105 4.340 -0.002 0.000 0.210 205 L C 2.575 179.350 176.870 -0.158 0.000 1.073 205 L CA 1.658 56.349 54.840 -0.250 0.000 0.748 205 L CB -0.536 40.978 42.059 -0.908 0.000 0.891 205 L HN 0.256 nan 8.230 nan 0.000 0.431 206 A N -0.161 122.545 122.820 -0.190 0.000 1.878 206 A HA -0.132 4.187 4.320 -0.002 0.000 0.213 206 A C 2.422 179.707 177.584 -0.498 0.000 1.192 206 A CA 1.570 53.336 52.037 -0.451 0.000 0.619 206 A CB -0.900 17.541 19.000 -0.932 0.000 0.837 206 A HN 0.479 nan 8.150 nan 0.000 0.446 207 T N -3.925 110.450 114.554 -0.298 0.000 2.867 207 T HA -0.159 4.190 4.350 -0.002 0.000 0.268 207 T C 1.732 176.464 174.700 0.053 0.000 1.057 207 T CA 1.705 63.766 62.100 -0.065 0.000 1.136 207 T CB -0.349 68.518 68.868 -0.002 0.000 0.874 207 T HN 0.455 nan 8.240 nan 0.000 0.466 208 Y N 1.345 121.594 120.300 -0.084 0.000 2.472 208 Y HA 0.477 5.026 4.550 -0.002 0.000 0.288 208 Y C 2.650 178.537 175.900 -0.022 0.000 1.154 208 Y CA 0.321 58.386 58.100 -0.059 0.000 1.238 208 Y CB -0.361 38.037 38.460 -0.104 0.000 1.287 208 Y HN 0.181 nan 8.280 nan 0.000 0.524 209 G N -0.637 108.201 108.800 0.064 0.000 2.498 209 G HA2 -0.144 3.815 3.960 -0.002 0.000 0.219 209 G HA3 -0.144 3.815 3.960 -0.002 0.000 0.219 209 G C 1.481 176.415 174.900 0.057 0.000 1.119 209 G CA 0.851 45.988 45.100 0.063 0.000 0.766 209 G HN 0.565 nan 8.290 nan 0.000 0.552 210 G N 0.158 108.972 108.800 0.023 0.000 3.277 210 G HA2 0.213 4.172 3.960 -0.002 0.000 0.243 210 G HA3 0.213 4.172 3.960 -0.002 0.000 0.243 210 G C 1.640 176.520 174.900 -0.033 0.000 1.107 210 G CA 0.921 46.036 45.100 0.024 0.000 0.771 210 G HN 0.477 nan 8.290 nan 0.000 0.544 211 S N -0.903 114.744 115.700 -0.089 0.000 2.515 211 S HA 0.118 4.587 4.470 -0.002 0.000 0.231 211 S C 1.005 175.536 174.600 -0.115 0.000 0.987 211 S CA 1.063 59.200 58.200 -0.104 0.000 0.936 211 S CB 0.115 63.214 63.200 -0.167 0.000 0.766 211 S HN 0.272 nan 8.310 nan 0.000 0.528 212 T N 0.356 114.839 114.554 -0.119 0.000 2.618 212 T HA 0.591 4.940 4.350 -0.002 0.000 0.293 212 T C -1.950 172.700 174.700 -0.084 0.000 1.093 212 T CA -0.412 61.628 62.100 -0.100 0.000 1.061 212 T CB 1.745 70.544 68.868 -0.114 0.000 1.498 212 T HN 0.603 nan 8.240 nan 0.000 0.494 213 E N -0.651 119.490 120.200 -0.097 0.000 2.377 213 E HA 0.546 4.895 4.350 -0.002 0.000 0.266 213 E C -1.347 175.130 176.600 -0.205 0.000 1.111 213 E CA -1.008 55.313 56.400 -0.132 0.000 0.889 213 E CB 0.680 30.300 29.700 -0.132 0.000 1.644 213 E HN 0.368 nan 8.360 nan 0.000 0.464 214 V N 1.079 120.783 119.914 -0.349 0.000 2.617 214 V HA 0.259 4.378 4.120 -0.002 0.000 0.304 214 V C 1.441 177.408 176.094 -0.212 0.000 1.040 214 V CA 2.150 64.242 62.300 -0.347 0.000 1.149 214 V CB 0.115 31.654 31.823 -0.472 0.000 0.914 214 V HN 1.037 nan 8.190 nan 0.000 0.487 215 G N 3.140 111.859 108.800 -0.136 0.000 2.176 215 G HA2 0.070 4.029 3.960 -0.002 0.000 0.253 215 G HA3 0.070 4.029 3.960 -0.002 0.000 0.253 215 G C 0.990 175.856 174.900 -0.057 0.000 0.979 215 G CA 0.269 45.337 45.100 -0.054 0.000 0.641 215 G HN 2.424 nan 8.290 nan 0.000 0.530 216 G N -1.257 107.490 108.800 -0.087 0.000 2.725 216 G HA2 0.472 4.431 3.960 -0.002 0.000 0.220 216 G HA3 0.472 4.431 3.960 -0.002 0.000 0.220 216 G C 1.152 176.024 174.900 -0.047 0.000 1.357 216 G CA 1.101 46.158 45.100 -0.071 0.000 0.866 216 G HN 2.726 nan 8.290 nan 0.000 0.548 217 G N -1.249 107.525 108.800 -0.043 0.000 2.681 217 G HA2 0.247 4.206 3.960 -0.002 0.000 0.220 217 G HA3 0.247 4.206 3.960 -0.002 0.000 0.220 217 G C -2.185 172.692 174.900 -0.038 0.000 1.353 217 G CA 0.398 45.480 45.100 -0.031 0.000 0.872 217 G HN 1.424 nan 8.290 nan 0.000 0.557 218 P HA 0.391 nan 4.420 nan 0.000 0.269 218 P C 0.860 178.135 177.300 -0.041 0.000 1.209 218 P CA 0.944 64.022 63.100 -0.036 0.000 0.776 218 P CB 0.944 32.631 31.700 -0.022 0.000 0.876 219 G N 0.923 109.678 108.800 -0.075 0.000 2.930 219 G HA2 0.659 4.618 3.960 -0.002 0.000 0.209 219 G HA3 0.659 4.618 3.960 -0.002 0.000 0.209 219 G C 0.071 174.820 174.900 -0.251 0.000 2.018 219 G CA -0.029 45.008 45.100 -0.106 0.000 0.751 219 G HN 0.840 nan 8.290 nan 0.000 0.770 220 G N -2.134 106.374 108.800 -0.487 0.000 2.351 220 G HA2 0.559 4.518 3.960 -0.002 0.000 0.353 220 G HA3 0.559 4.518 3.960 -0.002 0.000 0.353 220 G C -1.176 172.933 174.900 -1.318 0.000 1.358 220 G CA 0.055 44.505 45.100 -1.083 0.000 0.995 220 G HN 1.944 nan 8.290 nan 0.000 0.611 221 Y N -2.519 116.987 120.300 -1.325 0.000 2.732 221 Y HA 0.708 5.257 4.550 -0.002 0.000 0.342 221 Y C -1.812 173.890 175.900 -0.329 0.000 1.203 221 Y CA -2.264 55.371 58.100 -0.776 0.000 1.092 221 Y CB 0.424 38.709 38.460 -0.292 0.000 1.345 221 Y HN 0.825 nan 8.280 nan 0.000 0.458 222 Y N 1.402 121.913 120.300 0.351 0.000 2.320 222 Y HA 0.550 5.098 4.550 -0.002 0.000 0.334 222 Y C 0.936 177.056 175.900 0.367 0.000 1.055 222 Y CA -0.745 57.547 58.100 0.320 0.000 1.143 222 Y CB 1.405 40.090 38.460 0.376 0.000 1.193 222 Y HN 0.788 nan 8.280 nan 0.000 0.477 223 T N -0.464 114.339 114.554 0.415 0.000 2.754 223 T HA 0.164 4.513 4.350 -0.002 0.000 0.286 223 T C 1.193 176.086 174.700 0.322 0.000 0.997 223 T CA -0.898 61.416 62.100 0.358 0.000 0.982 223 T CB 0.852 69.865 68.868 0.241 0.000 1.027 223 T HN 0.484 nan 8.240 nan 0.000 0.529 224 K N 0.640 121.187 120.400 0.247 0.000 2.063 224 K HA -0.088 4.231 4.320 -0.002 0.000 0.208 224 K C 2.601 179.331 176.600 0.217 0.000 1.048 224 K CA 1.588 58.007 56.287 0.221 0.000 0.928 224 K CB -1.276 31.318 32.500 0.156 0.000 0.713 224 K HN 0.757 nan 8.250 nan 0.000 0.442 225 A N 1.743 124.665 122.820 0.170 0.000 1.902 225 A HA -0.202 4.117 4.320 -0.002 0.000 0.217 225 A C 2.131 179.789 177.584 0.124 0.000 1.181 225 A CA 1.658 53.771 52.037 0.127 0.000 0.623 225 A CB -0.442 18.619 19.000 0.102 0.000 0.818 225 A HN 0.400 nan 8.150 nan 0.000 0.443 226 E N -1.808 118.491 120.200 0.166 0.000 2.077 226 E HA -0.211 4.138 4.350 -0.002 0.000 0.193 226 E C 1.888 178.533 176.600 0.075 0.000 0.989 226 E CA 1.444 57.929 56.400 0.142 0.000 0.800 226 E CB -0.296 29.559 29.700 0.258 0.000 0.746 226 E HN 0.769 nan 8.360 nan 0.000 0.452 227 Y N 1.870 122.196 120.300 0.042 0.000 2.181 227 Y HA -0.195 4.354 4.550 -0.002 0.000 0.288 227 Y C 1.874 177.754 175.900 -0.034 0.000 1.146 227 Y CA 1.568 59.643 58.100 -0.041 0.000 1.164 227 Y CB 0.109 38.611 38.460 0.070 0.000 0.982 227 Y HN -0.158 nan 8.280 nan 0.000 0.515 228 K N -0.354 120.069 120.400 0.039 0.000 2.097 228 K HA -0.236 4.083 4.320 -0.002 0.000 0.206 228 K C 1.993 178.534 176.600 -0.099 0.000 1.049 228 K CA 1.596 57.863 56.287 -0.034 0.000 0.933 228 K CB -0.172 32.358 32.500 0.051 0.000 0.717 228 K HN 0.215 nan 8.250 nan 0.000 0.442 229 E N 1.554 121.714 120.200 -0.067 0.000 2.106 229 E HA -0.120 4.229 4.350 -0.002 0.000 0.192 229 E C 1.684 178.225 176.600 -0.098 0.000 0.984 229 E CA 1.095 57.462 56.400 -0.056 0.000 0.806 229 E CB -0.146 29.537 29.700 -0.029 0.000 0.750 229 E HN 0.259 nan 8.360 nan 0.000 0.458 230 I N -0.407 120.035 120.570 -0.214 0.000 2.252 230 I HA -0.231 3.938 4.170 -0.002 0.000 0.245 230 I C 2.153 178.133 176.117 -0.228 0.000 1.102 230 I CA 0.757 61.906 61.300 -0.252 0.000 1.385 230 I CB -0.159 37.579 38.000 -0.437 0.000 1.064 230 I HN 0.045 nan 8.210 nan 0.000 0.414 231 V N 0.837 120.539 119.914 -0.353 0.000 2.343 231 V HA -0.288 3.831 4.120 -0.002 0.000 0.247 231 V C 2.621 178.621 176.094 -0.157 0.000 1.051 231 V CA 1.882 64.015 62.300 -0.278 0.000 1.036 231 V CB -0.813 30.828 31.823 -0.303 0.000 0.654 231 V HN 0.424 nan 8.190 nan 0.000 0.451 232 R N -1.057 119.375 120.500 -0.115 0.000 2.073 232 R HA -0.219 4.120 4.340 -0.002 0.000 0.234 232 R C 2.387 178.642 176.300 -0.076 0.000 1.134 232 R CA 2.136 58.186 56.100 -0.083 0.000 0.952 232 R CB -0.464 29.811 30.300 -0.042 0.000 0.850 232 R HN 0.571 nan 8.270 nan 0.000 0.433 233 Y N 0.646 120.860 120.300 -0.143 0.000 2.181 233 Y HA -0.164 4.385 4.550 -0.002 0.000 0.288 233 Y C 2.159 177.967 175.900 -0.153 0.000 1.146 233 Y CA 1.686 59.712 58.100 -0.123 0.000 1.164 233 Y CB -0.310 38.095 38.460 -0.093 0.000 0.982 233 Y HN 0.223 nan 8.280 nan 0.000 0.515 234 A N 0.205 123.003 122.820 -0.036 0.000 1.902 234 A HA -0.128 4.191 4.320 -0.002 0.000 0.217 234 A C 2.403 179.830 177.584 -0.262 0.000 1.181 234 A CA 1.796 53.763 52.037 -0.117 0.000 0.623 234 A CB -1.456 17.494 19.000 -0.085 0.000 0.818 234 A HN 0.559 nan 8.150 nan 0.000 0.443 235 A N 0.429 123.088 122.820 -0.267 0.000 1.933 235 A HA -0.113 4.206 4.320 -0.002 0.000 0.218 235 A C 2.470 179.697 177.584 -0.594 0.000 1.175 235 A CA 2.338 54.162 52.037 -0.355 0.000 0.628 235 A CB -1.001 17.844 19.000 -0.257 0.000 0.814 235 A HN 1.064 nan 8.150 nan 0.000 0.444 236 S N -1.070 114.307 115.700 -0.538 0.000 2.447 236 S HA -0.062 4.407 4.470 -0.002 0.000 0.233 236 S C 1.522 175.581 174.600 -0.901 0.000 1.006 236 S CA 1.208 59.024 58.200 -0.640 0.000 0.957 236 S CB -0.191 62.733 63.200 -0.461 0.000 0.773 236 S HN 0.407 nan 8.310 nan 0.000 0.507 237 R N 0.501 120.514 120.500 -0.812 0.000 2.466 237 R HA 0.301 4.640 4.340 -0.002 0.000 0.279 237 R C -0.336 175.478 176.300 -0.811 0.000 0.976 237 R CA -0.215 55.384 56.100 -0.835 0.000 1.081 237 R CB -0.762 29.351 30.300 -0.312 0.000 1.215 237 R HN 0.490 nan 8.270 nan 0.000 0.546 238 H N -0.502 118.123 119.070 -0.742 0.000 2.713 238 H HA -0.208 4.347 4.556 -0.002 0.000 0.311 238 H C -0.788 174.415 175.328 -0.208 0.000 1.175 238 H CA 0.765 56.531 56.048 -0.470 0.000 1.143 238 H CB -1.600 27.812 29.762 -0.584 0.000 1.434 238 H HN 0.164 nan 8.280 nan 0.000 0.418 239 L N 1.086 122.216 121.223 -0.155 0.000 2.325 239 L HA 0.269 4.608 4.340 -0.002 0.000 0.281 239 L C 0.732 177.550 176.870 -0.087 0.000 1.004 239 L CA -0.251 54.549 54.840 -0.067 0.000 0.823 239 L CB 2.251 44.280 42.059 -0.049 0.000 1.236 239 L HN 0.183 nan 8.230 nan 0.000 0.415 240 E N 3.029 123.191 120.200 -0.063 0.000 2.194 240 E HA 0.282 4.631 4.350 -0.002 0.000 0.284 240 E C -1.026 175.554 176.600 -0.035 0.000 1.035 240 E CA -0.667 55.705 56.400 -0.047 0.000 0.836 240 E CB 1.373 31.061 29.700 -0.019 0.000 1.070 240 E HN 0.305 nan 8.360 nan 0.000 0.401 241 V N 5.374 125.279 119.914 -0.014 0.000 2.488 241 V HA 0.082 4.201 4.120 -0.002 0.000 0.277 241 V C -0.054 176.104 176.094 0.106 0.000 1.046 241 V CA -0.413 61.902 62.300 0.024 0.000 0.986 241 V CB 1.260 33.070 31.823 -0.022 0.000 0.989 241 V HN 0.497 nan 8.190 nan 0.000 0.475 242 V N 8.678 128.675 119.914 0.139 0.000 2.275 242 V HA 0.321 4.440 4.120 -0.002 0.000 0.272 242 V C -1.996 174.248 176.094 0.250 0.000 1.028 242 V CA -1.543 60.878 62.300 0.202 0.000 0.810 242 V CB 1.484 33.411 31.823 0.174 0.000 1.043 242 V HN 0.748 nan 8.190 nan 0.000 0.453 243 P HA 0.321 nan 4.420 nan 0.000 0.278 243 P C -0.717 176.692 177.300 0.182 0.000 1.238 243 P CA -0.321 62.912 63.100 0.222 0.000 0.794 243 P CB 1.796 33.608 31.700 0.187 0.000 0.955 244 E N 2.381 122.657 120.200 0.126 0.000 2.224 244 E HA 0.410 4.759 4.350 -0.002 0.000 0.265 244 E C -1.184 175.361 176.600 -0.092 0.000 0.878 244 E CA -0.715 55.730 56.400 0.075 0.000 0.759 244 E CB 1.162 30.929 29.700 0.111 0.000 1.164 244 E HN 0.271 nan 8.360 nan 0.000 0.414 245 I N 4.163 124.702 120.570 -0.051 0.000 2.464 245 I HA 0.176 4.345 4.170 -0.002 0.000 0.277 245 I C -0.252 175.879 176.117 0.023 0.000 1.040 245 I CA -0.694 60.521 61.300 -0.140 0.000 1.153 245 I CB 1.009 38.946 38.000 -0.105 0.000 1.274 245 I HN 0.581 nan 8.210 nan 0.000 0.469 246 D N 8.480 128.879 120.400 -0.003 0.000 2.458 246 D HA 0.395 5.033 4.640 -0.002 0.000 0.243 246 D C -0.249 176.173 176.300 0.203 0.000 1.146 246 D CA 0.486 54.585 54.000 0.165 0.000 0.877 246 D CB 0.681 41.571 40.800 0.149 0.000 1.176 246 D HN 0.503 nan 8.370 nan 0.000 0.461 247 M N 1.906 121.662 119.600 0.259 0.000 2.534 247 M HA 0.363 4.842 4.480 -0.002 0.000 0.280 247 M C -2.707 173.723 176.300 0.217 0.000 1.217 247 M CA -1.413 54.016 55.300 0.214 0.000 0.893 247 M CB 2.854 35.659 32.600 0.342 0.000 1.730 247 M HN -0.129 nan 8.290 nan 0.000 0.483 248 P HA 0.147 nan 4.420 nan 0.000 0.245 248 P C 0.545 177.721 177.300 -0.208 0.000 1.206 248 P CA 0.697 63.506 63.100 -0.485 0.000 0.781 248 P CB 0.275 31.280 31.700 -1.157 0.000 0.994 249 G N -0.786 107.968 108.800 -0.076 0.000 2.557 249 G HA2 0.172 4.131 3.960 -0.002 0.000 0.292 249 G HA3 0.172 4.131 3.960 -0.002 0.000 0.292 249 G C -0.159 174.715 174.900 -0.043 0.000 1.237 249 G CA -0.281 44.732 45.100 -0.146 0.000 0.978 249 G HN 0.246 nan 8.290 nan 0.000 0.498 250 H N -1.344 117.584 119.070 -0.236 0.000 2.713 250 H HA -0.179 4.376 4.556 -0.002 0.000 0.311 250 H C 1.165 176.448 175.328 -0.074 0.000 1.175 250 H CA 1.298 57.233 56.048 -0.187 0.000 1.143 250 H CB -1.787 27.926 29.762 -0.083 0.000 1.434 250 H HN 0.660 nan 8.280 nan 0.000 0.418 251 T N -4.415 110.122 114.554 -0.029 0.000 3.182 251 T HA 0.081 4.430 4.350 -0.002 0.000 0.277 251 T C 1.321 176.052 174.700 0.052 0.000 1.013 251 T CA 0.224 62.363 62.100 0.066 0.000 0.900 251 T CB 0.289 69.178 68.868 0.035 0.000 1.098 251 T HN 0.229 nan 8.240 nan 0.000 0.543 252 N N 2.257 120.968 118.700 0.018 0.000 2.149 252 N HA -0.066 4.673 4.740 -0.002 0.000 0.188 252 N C 2.104 177.698 175.510 0.140 0.000 1.019 252 N CA 1.547 54.644 53.050 0.079 0.000 0.857 252 N CB -0.443 38.131 38.487 0.145 0.000 0.997 252 N HN 0.534 nan 8.380 nan 0.000 0.426 253 A N 0.220 123.157 122.820 0.194 0.000 1.883 253 A HA -0.046 4.273 4.320 -0.002 0.000 0.217 253 A C 2.332 180.033 177.584 0.196 0.000 1.186 253 A CA 1.998 54.170 52.037 0.225 0.000 0.624 253 A CB -1.273 17.917 19.000 0.317 0.000 0.822 253 A HN 0.446 nan 8.150 nan 0.000 0.444 254 A N -0.412 122.521 122.820 0.188 0.000 1.898 254 A HA 0.037 4.356 4.320 -0.002 0.000 0.216 254 A C 2.151 179.690 177.584 -0.074 0.000 1.181 254 A CA 1.382 53.400 52.037 -0.031 0.000 0.620 254 A CB -0.586 18.362 19.000 -0.087 0.000 0.819 254 A HN 0.467 nan 8.150 nan 0.000 0.442 255 L N -0.768 120.424 121.223 -0.051 0.000 2.131 255 L HA -0.157 4.182 4.340 -0.002 0.000 0.210 255 L C 2.898 179.781 176.870 0.021 0.000 1.092 255 L CA 0.988 55.794 54.840 -0.056 0.000 0.759 255 L CB -0.464 41.569 42.059 -0.044 0.000 0.903 255 L HN 0.424 nan 8.230 nan 0.000 0.435 256 A N -1.142 121.732 122.820 0.090 0.000 2.119 256 A HA -0.066 4.252 4.320 -0.002 0.000 0.217 256 A C 2.398 180.102 177.584 0.200 0.000 1.153 256 A CA 1.388 53.523 52.037 0.164 0.000 0.692 256 A CB -0.217 18.914 19.000 0.218 0.000 0.799 256 A HN 0.350 nan 8.150 nan 0.000 0.458 257 S N -1.895 113.888 115.700 0.140 0.000 2.456 257 S HA 0.170 4.639 4.470 -0.002 0.000 0.224 257 S C -0.363 174.012 174.600 -0.374 0.000 1.035 257 S CA 0.387 58.580 58.200 -0.013 0.000 0.940 257 S CB -0.113 63.152 63.200 0.109 0.000 0.799 257 S HN 0.551 nan 8.310 nan 0.000 0.508 258 Y N 0.232 120.483 120.300 -0.083 0.000 2.402 258 Y HA 0.565 5.113 4.550 -0.002 0.000 0.325 258 Y C 0.857 176.710 175.900 -0.077 0.000 1.009 258 Y CA -1.012 57.051 58.100 -0.061 0.000 1.278 258 Y CB 0.738 39.211 38.460 0.023 0.000 1.105 258 Y HN 0.066 nan 8.280 nan 0.000 0.476 259 A N 2.150 124.979 122.820 0.014 0.000 1.958 259 A HA -0.276 4.043 4.320 -0.002 0.000 0.221 259 A C 2.047 179.645 177.584 0.022 0.000 1.178 259 A CA 2.276 54.312 52.037 -0.001 0.000 0.642 259 A CB -0.396 18.588 19.000 -0.027 0.000 0.816 259 A HN 0.891 nan 8.150 nan 0.000 0.453 260 E N 0.078 120.319 120.200 0.067 0.000 2.267 260 E HA -0.156 4.192 4.350 -0.002 0.000 0.197 260 E C 1.645 178.256 176.600 0.017 0.000 0.998 260 E CA 1.213 57.650 56.400 0.060 0.000 0.830 260 E CB -0.499 29.268 29.700 0.112 0.000 0.751 260 E HN 0.647 nan 8.360 nan 0.000 0.491 261 L N 1.013 122.217 121.223 -0.032 0.000 2.395 261 L HA 0.024 4.363 4.340 -0.002 0.000 0.218 261 L C 0.852 177.653 176.870 -0.115 0.000 1.130 261 L CA 0.081 54.829 54.840 -0.154 0.000 0.826 261 L CB -0.455 41.387 42.059 -0.363 0.000 0.941 261 L HN 0.093 nan 8.230 nan 0.000 0.451 262 N N -0.928 117.734 118.700 -0.063 0.000 2.518 262 N HA 0.044 4.783 4.740 -0.002 0.000 0.283 262 N C 0.815 176.309 175.510 -0.027 0.000 1.119 262 N CA -0.241 52.781 53.050 -0.047 0.000 0.983 262 N CB 1.844 40.313 38.487 -0.030 0.000 1.139 262 N HN 0.051 nan 8.380 nan 0.000 0.465 263 c N 0.582 119.168 118.600 -0.025 0.000 2.401 263 c HA -0.171 4.398 4.570 -0.002 0.000 0.276 263 c C 1.841 175.929 174.090 -0.002 0.000 1.233 263 c CA 1.059 57.383 56.329 -0.008 0.000 1.753 263 c CB -0.806 41.700 42.510 -0.007 0.000 2.029 263 c HN 0.796 nan 8.230 nan 0.000 0.478 264 D N -0.544 119.853 120.400 -0.006 0.000 2.325 264 D HA 0.172 4.811 4.640 -0.002 0.000 0.225 264 D C 1.399 177.697 176.300 -0.003 0.000 1.096 264 D CA 0.854 54.852 54.000 -0.003 0.000 0.844 264 D CB -0.755 40.042 40.800 -0.005 0.000 0.925 264 D HN 0.511 nan 8.370 nan 0.000 0.513 265 G N -0.190 108.608 108.800 -0.004 0.000 2.180 265 G HA2 -0.262 3.696 3.960 -0.002 0.000 0.263 265 G HA3 -0.262 3.696 3.960 -0.002 0.000 0.263 265 G C 0.092 174.987 174.900 -0.007 0.000 0.989 265 G CA 0.590 45.689 45.100 -0.002 0.000 0.692 265 G HN 0.413 nan 8.290 nan 0.000 0.526 266 V N 0.368 120.276 119.914 -0.010 0.000 2.459 266 V HA 0.779 4.898 4.120 -0.002 0.000 0.295 266 V C 0.672 176.759 176.094 -0.011 0.000 1.029 266 V CA -0.548 61.744 62.300 -0.013 0.000 0.874 266 V CB 1.745 33.562 31.823 -0.010 0.000 0.985 266 V HN 1.002 nan 8.190 nan 0.000 0.438 267 A N 7.032 129.842 122.820 -0.017 0.000 2.404 267 A HA 0.680 4.999 4.320 -0.002 0.000 0.273 267 A C -2.279 175.316 177.584 0.019 0.000 1.144 267 A CA -1.064 50.969 52.037 -0.007 0.000 0.806 267 A CB -0.190 18.786 19.000 -0.039 0.000 1.080 267 A HN 0.673 nan 8.150 nan 0.000 0.509 268 P HA 0.326 nan 4.420 nan 0.000 0.272 268 P C -2.483 174.868 177.300 0.085 0.000 1.240 268 P CA -0.978 62.152 63.100 0.050 0.000 0.791 268 P CB -0.108 31.627 31.700 0.058 0.000 0.978 269 P HA 0.152 nan 4.420 nan 0.000 0.274 269 P C -0.471 176.905 177.300 0.126 0.000 1.246 269 P CA -0.224 62.936 63.100 0.100 0.000 0.795 269 P CB 0.343 32.083 31.700 0.066 0.000 1.006 270 L N 0.973 122.252 121.223 0.094 0.000 2.456 270 L HA 0.110 4.449 4.340 -0.002 0.000 0.272 270 L C 0.288 177.233 176.870 0.125 0.000 1.189 270 L CA -0.044 54.830 54.840 0.057 0.000 0.846 270 L CB -0.236 41.759 42.059 -0.107 0.000 1.111 270 L HN 0.366 nan 8.230 nan 0.000 0.475 271 Y N 1.523 121.839 120.300 0.027 0.000 2.326 271 Y HA 0.238 4.787 4.550 -0.002 0.000 0.337 271 Y C 0.913 176.822 175.900 0.014 0.000 1.023 271 Y CA -0.749 57.373 58.100 0.037 0.000 1.143 271 Y CB 1.387 39.938 38.460 0.152 0.000 1.183 271 Y HN 0.640 nan 8.280 nan 0.000 0.485 272 T N 1.111 115.329 114.554 -0.559 0.000 3.145 272 T HA 0.410 4.759 4.350 -0.002 0.000 0.281 272 T C 0.687 174.995 174.700 -0.652 0.000 1.003 272 T CA 0.087 61.901 62.100 -0.476 0.000 0.901 272 T CB -0.324 68.395 68.868 -0.249 0.000 1.112 272 T HN 0.723 nan 8.240 nan 0.000 0.535 273 G N 1.367 109.354 108.800 -1.356 0.000 2.535 273 G HA2 0.457 4.416 3.960 -0.002 0.000 0.282 273 G HA3 0.457 4.416 3.960 -0.002 0.000 0.282 273 G C 0.508 175.180 174.900 -0.380 0.000 1.350 273 G CA 0.063 44.691 45.100 -0.788 0.000 1.039 273 G HN 0.432 nan 8.290 nan 0.000 0.509 274 T N -2.713 111.835 114.554 -0.011 0.000 3.339 274 T HA 0.414 4.763 4.350 -0.002 0.000 0.292 274 T C 0.335 175.145 174.700 0.183 0.000 1.012 274 T CA -0.373 61.788 62.100 0.101 0.000 0.937 274 T CB 0.052 68.954 68.868 0.057 0.000 1.164 274 T HN 0.329 nan 8.240 nan 0.000 0.509 275 K N 0.977 121.585 120.400 0.346 0.000 2.267 275 K HA 0.810 5.129 4.320 -0.002 0.000 0.236 275 K C -0.291 176.471 176.600 0.270 0.000 1.030 275 K CA -0.929 55.507 56.287 0.247 0.000 0.930 275 K CB 2.008 34.638 32.500 0.217 0.000 1.182 275 K HN 0.205 nan 8.250 nan 0.000 0.474 276 V N -3.915 116.051 119.914 0.088 0.000 3.182 276 V HA 0.766 4.885 4.120 -0.002 0.000 0.308 276 V C 0.316 176.279 176.094 -0.219 0.000 1.240 276 V CA -0.062 62.129 62.300 -0.182 0.000 1.063 276 V CB 1.094 32.780 31.823 -0.229 0.000 1.076 276 V HN 0.918 nan 8.190 nan 0.000 0.446 277 G N 0.678 109.151 108.800 -0.544 0.000 2.159 277 G HA2 -0.272 3.687 3.960 -0.002 0.000 0.256 277 G HA3 -0.272 3.687 3.960 -0.002 0.000 0.256 277 G C 0.101 174.861 174.900 -0.233 0.000 0.977 277 G CA 1.167 46.080 45.100 -0.312 0.000 0.652 277 G HN 2.148 nan 8.290 nan 0.000 0.531 278 F N 1.352 121.153 119.950 -0.248 0.000 2.714 278 F HA 0.538 5.064 4.527 -0.002 0.000 0.294 278 F C 1.211 176.890 175.800 -0.202 0.000 1.120 278 F CA 0.038 57.913 58.000 -0.207 0.000 1.398 278 F CB -0.437 38.420 39.000 -0.239 0.000 1.120 278 F HN 0.417 nan 8.300 nan 0.000 0.589 279 S N 0.213 115.541 115.700 -0.620 0.000 2.617 279 S HA 0.680 5.148 4.470 -0.002 0.000 0.283 279 S C -0.226 174.210 174.600 -0.272 0.000 1.189 279 S CA -0.298 57.691 58.200 -0.351 0.000 1.036 279 S CB 1.729 64.662 63.200 -0.446 0.000 1.014 279 S HN 0.360 nan 8.310 nan 0.000 0.522 280 S N 1.337 116.930 115.700 -0.178 0.000 2.548 280 S HA 0.417 4.886 4.470 -0.002 0.000 0.278 280 S C -0.919 173.579 174.600 -0.170 0.000 1.150 280 S CA -0.873 57.219 58.200 -0.179 0.000 0.907 280 S CB 0.450 63.564 63.200 -0.145 0.000 1.108 280 S HN 0.775 nan 8.310 nan 0.000 0.459 281 L N 2.428 123.513 121.223 -0.229 0.000 2.452 281 L HA 0.360 4.699 4.340 -0.002 0.000 0.267 281 L C 0.580 177.345 176.870 -0.175 0.000 1.188 281 L CA -0.598 54.111 54.840 -0.219 0.000 0.821 281 L CB 0.523 42.425 42.059 -0.261 0.000 1.102 281 L HN 0.752 nan 8.230 nan 0.000 0.470 282 c N 2.941 121.469 118.600 -0.119 0.000 2.383 282 c HA 0.165 4.734 4.570 -0.002 0.000 0.350 282 c C 1.748 175.844 174.090 0.010 0.000 1.173 282 c CA -0.638 55.662 56.329 -0.048 0.000 1.645 282 c CB -0.566 41.928 42.510 -0.026 0.000 2.221 282 c HN 0.650 nan 8.230 nan 0.000 0.528 283 V N 4.403 124.353 119.914 0.061 0.000 2.594 283 V HA -0.113 4.006 4.120 -0.002 0.000 0.253 283 V C 1.758 178.028 176.094 0.293 0.000 1.069 283 V CA 1.836 64.276 62.300 0.234 0.000 1.082 283 V CB -0.422 31.540 31.823 0.231 0.000 0.680 283 V HN 0.771 nan 8.190 nan 0.000 0.469 284 D N -0.026 120.478 120.400 0.173 0.000 2.319 284 D HA 0.114 4.753 4.640 -0.002 0.000 0.230 284 D C 0.602 176.994 176.300 0.152 0.000 1.094 284 D CA 0.358 54.449 54.000 0.152 0.000 0.856 284 D CB 0.178 41.034 40.800 0.093 0.000 0.915 284 D HN 0.443 nan 8.370 nan 0.000 0.517 285 K N 0.506 121.017 120.400 0.185 0.000 2.270 285 K HA 0.152 4.471 4.320 -0.002 0.000 0.255 285 K C 0.371 177.122 176.600 0.252 0.000 0.936 285 K CA -0.669 55.712 56.287 0.157 0.000 0.809 285 K CB 2.261 34.811 32.500 0.083 0.000 1.131 285 K HN -0.307 nan 8.250 nan 0.000 0.427 286 D N 1.283 121.812 120.400 0.215 0.000 2.144 286 D HA -0.151 4.488 4.640 -0.002 0.000 0.200 286 D C 1.631 178.086 176.300 0.259 0.000 0.978 286 D CA 0.959 55.118 54.000 0.266 0.000 0.833 286 D CB 0.226 41.121 40.800 0.158 0.000 0.961 286 D HN 0.245 nan 8.370 nan 0.000 0.470 287 V N 1.163 121.182 119.914 0.175 0.000 2.546 287 V HA -0.259 3.860 4.120 -0.002 0.000 0.254 287 V C 2.078 178.247 176.094 0.126 0.000 1.076 287 V CA 2.110 64.514 62.300 0.174 0.000 1.087 287 V CB -0.568 31.348 31.823 0.155 0.000 0.674 287 V HN 0.184 nan 8.190 nan 0.000 0.470 288 T N -0.193 114.379 114.554 0.029 0.000 2.720 288 T HA -0.203 4.146 4.350 -0.002 0.000 0.268 288 T C 1.505 176.089 174.700 -0.194 0.000 1.037 288 T CA 2.407 64.413 62.100 -0.156 0.000 1.144 288 T CB -0.393 68.272 68.868 -0.339 0.000 0.864 288 T HN 0.709 nan 8.240 nan 0.000 0.444 289 Y N 1.245 121.627 120.300 0.136 0.000 2.516 289 Y HA 0.073 4.622 4.550 -0.002 0.000 0.291 289 Y C 2.276 178.230 175.900 0.090 0.000 1.131 289 Y CA 0.028 58.179 58.100 0.085 0.000 1.281 289 Y CB -0.194 38.286 38.460 0.033 0.000 1.013 289 Y HN 0.187 nan 8.280 nan 0.000 0.554 290 D N -0.375 120.164 120.400 0.232 0.000 2.137 290 D HA -0.149 4.489 4.640 -0.002 0.000 0.202 290 D C 1.915 178.341 176.300 0.210 0.000 0.970 290 D CA 0.868 55.010 54.000 0.237 0.000 0.837 290 D CB -0.471 40.503 40.800 0.290 0.000 0.981 290 D HN 0.296 nan 8.370 nan 0.000 0.475 291 F N 2.091 121.995 119.950 -0.077 0.000 2.075 291 F HA -0.228 4.298 4.527 -0.002 0.000 0.297 291 F C 2.179 177.767 175.800 -0.353 0.000 1.113 291 F CA 1.189 58.858 58.000 -0.552 0.000 1.218 291 F CB -0.537 37.940 39.000 -0.872 0.000 0.984 291 F HN -0.244 nan 8.300 nan 0.000 0.472 292 V N 0.660 120.410 119.914 -0.272 0.000 2.332 292 V HA -0.352 3.767 4.120 -0.002 0.000 0.248 292 V C 2.104 178.094 176.094 -0.173 0.000 1.055 292 V CA 2.398 64.542 62.300 -0.260 0.000 1.038 292 V CB -0.929 30.871 31.823 -0.038 0.000 0.651 292 V HN 0.445 nan 8.190 nan 0.000 0.450 293 D N -0.311 120.070 120.400 -0.032 0.000 2.117 293 D HA -0.197 4.442 4.640 -0.002 0.000 0.197 293 D C 1.800 178.099 176.300 -0.001 0.000 0.987 293 D CA 1.395 55.443 54.000 0.080 0.000 0.829 293 D CB -0.050 40.847 40.800 0.160 0.000 0.961 293 D HN 0.407 nan 8.370 nan 0.000 0.460 294 D N -0.369 120.010 120.400 -0.036 0.000 2.097 294 D HA -0.128 4.511 4.640 -0.002 0.000 0.195 294 D C 2.310 178.510 176.300 -0.166 0.000 0.989 294 D CA 0.714 54.699 54.000 -0.026 0.000 0.827 294 D CB -0.423 40.498 40.800 0.202 0.000 0.966 294 D HN 0.157 nan 8.370 nan 0.000 0.456 295 V N 1.360 121.068 119.914 -0.342 0.000 2.261 295 V HA -0.215 3.904 4.120 -0.002 0.000 0.246 295 V C 2.568 178.544 176.094 -0.197 0.000 1.047 295 V CA 1.186 63.310 62.300 -0.294 0.000 1.015 295 V CB -0.359 31.188 31.823 -0.461 0.000 0.642 295 V HN 0.192 nan 8.190 nan 0.000 0.446 296 I N 0.552 121.003 120.570 -0.198 0.000 2.286 296 I HA -0.152 4.017 4.170 -0.002 0.000 0.248 296 I C 2.555 178.453 176.117 -0.364 0.000 1.115 296 I CA 1.567 62.771 61.300 -0.160 0.000 1.392 296 I CB -0.913 37.068 38.000 -0.033 0.000 1.065 296 I HN 0.426 nan 8.210 nan 0.000 0.418 297 G N 0.374 108.772 108.800 -0.671 0.000 2.421 297 G HA2 -0.214 3.745 3.960 -0.002 0.000 0.216 297 G HA3 -0.214 3.745 3.960 -0.002 0.000 0.216 297 G C 1.546 176.108 174.900 -0.562 0.000 1.171 297 G CA 0.482 44.797 45.100 -1.307 0.000 0.775 297 G HN 0.391 nan 8.290 nan 0.000 0.543 298 E N -0.451 119.568 120.200 -0.302 0.000 2.150 298 E HA -0.047 4.302 4.350 -0.002 0.000 0.193 298 E C 2.381 178.914 176.600 -0.112 0.000 0.985 298 E CA 0.453 56.766 56.400 -0.145 0.000 0.814 298 E CB -0.096 29.565 29.700 -0.066 0.000 0.752 298 E HN 0.335 nan 8.360 nan 0.000 0.466 299 L N 0.903 122.048 121.223 -0.131 0.000 2.056 299 L HA -0.042 4.297 4.340 -0.002 0.000 0.207 299 L C 2.192 179.031 176.870 -0.052 0.000 1.078 299 L CA 1.824 56.602 54.840 -0.103 0.000 0.749 299 L CB -0.580 41.418 42.059 -0.101 0.000 0.901 299 L HN -0.008 nan 8.230 nan 0.000 0.433 300 A N -0.392 122.380 122.820 -0.079 0.000 1.933 300 A HA -0.112 4.207 4.320 -0.002 0.000 0.218 300 A C 2.425 180.014 177.584 0.009 0.000 1.175 300 A CA 1.696 53.724 52.037 -0.016 0.000 0.628 300 A CB -1.106 17.888 19.000 -0.010 0.000 0.814 300 A HN 0.563 nan 8.150 nan 0.000 0.444 301 A N -0.540 122.266 122.820 -0.024 0.000 2.015 301 A HA 0.076 4.395 4.320 -0.002 0.000 0.219 301 A C 1.863 179.477 177.584 0.050 0.000 1.163 301 A CA 1.284 53.328 52.037 0.013 0.000 0.646 301 A CB -0.431 18.566 19.000 -0.006 0.000 0.806 301 A HN 0.476 nan 8.150 nan 0.000 0.448 302 L N -0.301 120.965 121.223 0.072 0.000 2.592 302 L HA 0.094 4.433 4.340 -0.002 0.000 0.227 302 L C -0.119 176.880 176.870 0.216 0.000 1.127 302 L CA 0.082 55.018 54.840 0.160 0.000 0.884 302 L CB 0.054 42.234 42.059 0.202 0.000 1.065 302 L HN 0.087 nan 8.230 nan 0.000 0.457 303 T N 1.664 116.303 114.554 0.142 0.000 2.947 303 T HA 0.219 4.568 4.350 -0.002 0.000 0.337 303 T C -1.628 173.115 174.700 0.071 0.000 1.139 303 T CA -1.002 61.179 62.100 0.136 0.000 0.992 303 T CB 1.512 70.459 68.868 0.132 0.000 1.043 303 T HN -0.021 nan 8.240 nan 0.000 0.498 304 P HA 0.065 nan 4.420 nan 0.000 0.229 304 P C 0.996 178.297 177.300 0.002 0.000 1.160 304 P CA 0.116 63.225 63.100 0.015 0.000 0.777 304 P CB 0.145 31.843 31.700 -0.003 0.000 0.814 305 G N 0.562 109.373 108.800 0.018 0.000 2.684 305 G HA2 0.008 3.967 3.960 -0.002 0.000 0.255 305 G HA3 0.008 3.967 3.960 -0.002 0.000 0.255 305 G C 0.897 175.767 174.900 -0.050 0.000 1.219 305 G CA -0.427 44.679 45.100 0.010 0.000 0.901 305 G HN 0.060 nan 8.290 nan 0.000 0.548 306 R N -1.011 119.378 120.500 -0.185 0.000 2.200 306 R HA 0.097 4.436 4.340 -0.002 0.000 0.208 306 R C -0.260 175.709 176.300 -0.551 0.000 1.033 306 R CA 0.552 56.377 56.100 -0.459 0.000 1.000 306 R CB 0.085 29.916 30.300 -0.782 0.000 0.906 306 R HN 0.572 nan 8.270 nan 0.000 0.462 307 Y N -0.275 120.087 120.300 0.103 0.000 2.528 307 Y HA 0.473 5.022 4.550 -0.002 0.000 0.335 307 Y C -0.145 175.819 175.900 0.107 0.000 1.093 307 Y CA -1.311 56.863 58.100 0.124 0.000 1.134 307 Y CB 1.356 39.950 38.460 0.223 0.000 1.253 307 Y HN -0.222 nan 8.280 nan 0.000 0.478 308 L N 3.242 124.614 121.223 0.248 0.000 2.441 308 L HA 0.318 4.657 4.340 -0.002 0.000 0.270 308 L C -1.442 175.519 176.870 0.152 0.000 0.973 308 L CA -0.397 54.547 54.840 0.174 0.000 0.842 308 L CB 1.248 43.377 42.059 0.117 0.000 1.239 308 L HN 0.779 nan 8.230 nan 0.000 0.406 309 H N 6.507 125.605 119.070 0.048 0.000 2.604 309 H HA 0.324 4.879 4.556 -0.002 0.000 0.306 309 H C 0.724 176.068 175.328 0.027 0.000 1.075 309 H CA -0.079 55.953 56.048 -0.026 0.000 1.357 309 H CB 1.295 30.971 29.762 -0.143 0.000 1.426 309 H HN 0.721 nan 8.280 nan 0.000 0.470 310 I N 1.710 122.420 120.570 0.232 0.000 3.941 310 I HA 0.314 4.483 4.170 -0.002 0.000 0.335 310 I C 1.168 177.498 176.117 0.355 0.000 1.402 310 I CA 0.019 61.464 61.300 0.241 0.000 1.112 310 I CB 0.202 38.300 38.000 0.164 0.000 1.043 310 I HN 0.712 nan 8.210 nan 0.000 0.395 311 G N 2.688 111.819 108.800 0.552 0.000 2.602 311 G HA2 -0.247 3.711 3.960 -0.002 0.000 0.310 311 G HA3 -0.247 3.711 3.960 -0.002 0.000 0.310 311 G C 0.987 176.294 174.900 0.679 0.000 1.183 311 G CA 0.934 46.450 45.100 0.695 0.000 0.979 311 G HN 1.603 nan 8.290 nan 0.000 0.545 312 G N -0.606 108.552 108.800 0.596 0.000 2.163 312 G HA2 0.035 3.994 3.960 -0.002 0.000 0.213 312 G HA3 0.035 3.994 3.960 -0.002 0.000 0.213 312 G C 0.096 175.291 174.900 0.492 0.000 0.991 312 G CA 1.213 46.674 45.100 0.602 0.000 0.653 312 G HN 1.973 nan 8.290 nan 0.000 0.518 313 D N 0.636 121.253 120.400 0.362 0.000 2.283 313 D HA 0.392 5.031 4.640 -0.002 0.000 0.248 313 D C 0.606 176.854 176.300 -0.087 0.000 1.072 313 D CA 0.106 54.136 54.000 0.050 0.000 0.929 313 D CB 0.537 41.030 40.800 -0.512 0.000 1.182 313 D HN 0.490 nan 8.370 nan 0.000 0.433 314 E N -0.533 119.508 120.200 -0.265 0.000 2.328 314 E HA -0.219 4.130 4.350 -0.002 0.000 0.233 314 E C -0.329 175.773 176.600 -0.829 0.000 1.219 314 E CA 0.590 56.541 56.400 -0.748 0.000 0.717 314 E CB -1.574 27.866 29.700 -0.435 0.000 1.210 314 E HN 0.571 nan 8.360 nan 0.000 0.381 315 A N 0.938 123.414 122.820 -0.574 0.000 3.135 315 A HA 0.085 4.404 4.320 -0.002 0.000 0.253 315 A C 0.673 178.061 177.584 -0.326 0.000 1.638 315 A CA -0.329 51.498 52.037 -0.351 0.000 1.295 315 A CB -0.215 18.719 19.000 -0.109 0.000 1.106 315 A HN 0.321 nan 8.150 nan 0.000 0.648 316 H N -0.159 118.796 119.070 -0.192 0.000 2.559 316 H HA 0.029 4.583 4.556 -0.002 0.000 0.273 316 H C 0.846 176.104 175.328 -0.117 0.000 1.000 316 H CA 1.044 56.999 56.048 -0.154 0.000 1.195 316 H CB 0.216 29.886 29.762 -0.154 0.000 1.368 316 H HN 0.485 nan 8.280 nan 0.000 0.592 317 S N 0.192 115.867 115.700 -0.041 0.000 2.575 317 S HA 0.106 4.575 4.470 -0.002 0.000 0.237 317 S C 0.327 174.906 174.600 -0.036 0.000 0.975 317 S CA -0.150 58.029 58.200 -0.035 0.000 0.960 317 S CB 0.498 63.663 63.200 -0.058 0.000 0.822 317 S HN 0.172 nan 8.310 nan 0.000 0.472 318 T N 4.188 118.727 114.554 -0.026 0.000 2.991 318 T HA 0.341 4.690 4.350 -0.002 0.000 0.347 318 T C -2.793 171.940 174.700 0.055 0.000 1.122 318 T CA -1.379 60.730 62.100 0.015 0.000 1.062 318 T CB 1.305 70.198 68.868 0.041 0.000 1.043 318 T HN -0.053 nan 8.240 nan 0.000 0.491 319 P HA 0.021 nan 4.420 nan 0.000 0.264 319 P C 1.077 178.444 177.300 0.111 0.000 1.179 319 P CA -0.177 62.962 63.100 0.065 0.000 0.763 319 P CB 0.758 32.493 31.700 0.058 0.000 0.806 320 K N 4.409 124.864 120.400 0.092 0.000 2.052 320 K HA -0.276 4.043 4.320 -0.002 0.000 0.215 320 K C 1.810 178.526 176.600 0.193 0.000 1.053 320 K CA 2.554 58.922 56.287 0.134 0.000 0.934 320 K CB -1.285 31.266 32.500 0.086 0.000 0.717 320 K HN 0.438 nan 8.250 nan 0.000 0.450 321 A N 0.715 123.616 122.820 0.135 0.000 1.940 321 A HA -0.196 4.123 4.320 -0.002 0.000 0.219 321 A C 1.896 179.570 177.584 0.150 0.000 1.176 321 A CA 2.156 54.268 52.037 0.126 0.000 0.631 321 A CB -0.778 18.274 19.000 0.087 0.000 0.814 321 A HN 0.518 nan 8.150 nan 0.000 0.446 322 D N -1.268 119.228 120.400 0.160 0.000 2.117 322 D HA -0.108 4.531 4.640 -0.002 0.000 0.198 322 D C 1.610 178.057 176.300 0.246 0.000 0.982 322 D CA 1.107 55.214 54.000 0.178 0.000 0.828 322 D CB -0.434 40.452 40.800 0.143 0.000 0.967 322 D HN 0.466 nan 8.370 nan 0.000 0.464 323 F N 1.634 121.653 119.950 0.115 0.000 2.095 323 F HA -0.225 4.301 4.527 -0.002 0.000 0.298 323 F C 2.217 178.137 175.800 0.200 0.000 1.104 323 F CA 1.087 59.174 58.000 0.145 0.000 1.232 323 F CB -0.381 38.674 39.000 0.091 0.000 0.987 323 F HN -0.224 nan 8.300 nan 0.000 0.475 324 V N 0.525 120.562 119.914 0.205 0.000 2.343 324 V HA -0.320 3.799 4.120 -0.002 0.000 0.247 324 V C 2.724 178.836 176.094 0.031 0.000 1.051 324 V CA 1.847 64.198 62.300 0.085 0.000 1.036 324 V CB -1.601 30.307 31.823 0.141 0.000 0.654 324 V HN 0.502 nan 8.190 nan 0.000 0.451 325 A N -0.597 122.275 122.820 0.087 0.000 1.898 325 A HA -0.212 4.107 4.320 -0.002 0.000 0.216 325 A C 2.107 179.743 177.584 0.088 0.000 1.181 325 A CA 1.870 53.950 52.037 0.072 0.000 0.620 325 A CB -0.698 18.361 19.000 0.097 0.000 0.819 325 A HN 0.512 nan 8.150 nan 0.000 0.442 326 F N 0.186 120.147 119.950 0.019 0.000 2.095 326 F HA -0.219 4.307 4.527 -0.002 0.000 0.298 326 F C 2.251 178.047 175.800 -0.006 0.000 1.104 326 F CA 2.124 60.172 58.000 0.079 0.000 1.232 326 F CB -0.164 38.851 39.000 0.024 0.000 0.987 326 F HN 0.097 nan 8.300 nan 0.000 0.475 327 M N 0.119 119.652 119.600 -0.112 0.000 2.229 327 M HA -0.145 4.334 4.480 -0.002 0.000 0.264 327 M C 2.129 178.332 176.300 -0.162 0.000 1.063 327 M CA 1.397 56.571 55.300 -0.210 0.000 1.114 327 M CB -1.178 31.248 32.600 -0.291 0.000 1.387 327 M HN 0.106 nan 8.290 nan 0.000 0.420 328 K N 0.644 120.975 120.400 -0.115 0.000 2.097 328 K HA -0.109 4.210 4.320 -0.002 0.000 0.206 328 K C 1.958 178.488 176.600 -0.116 0.000 1.049 328 K CA 1.502 57.737 56.287 -0.087 0.000 0.933 328 K CB -0.024 32.442 32.500 -0.057 0.000 0.717 328 K HN 0.269 nan 8.250 nan 0.000 0.442 329 R N -0.387 120.017 120.500 -0.161 0.000 2.075 329 R HA -0.009 4.329 4.340 -0.002 0.000 0.226 329 R C 2.274 178.473 176.300 -0.168 0.000 1.114 329 R CA 1.323 57.309 56.100 -0.191 0.000 0.972 329 R CB -0.361 29.760 30.300 -0.298 0.000 0.869 329 R HN 0.242 nan 8.270 nan 0.000 0.437 330 V N -1.244 118.515 119.914 -0.258 0.000 2.649 330 V HA -0.103 4.016 4.120 -0.002 0.000 0.248 330 V C 1.881 177.907 176.094 -0.113 0.000 1.054 330 V CA 1.019 63.187 62.300 -0.221 0.000 1.073 330 V CB -0.567 30.991 31.823 -0.442 0.000 0.699 330 V HN 0.192 nan 8.190 nan 0.000 0.463 331 Q N 0.914 120.651 119.800 -0.105 0.000 2.096 331 Q HA -0.175 4.164 4.340 -0.002 0.000 0.208 331 Q C 0.309 176.290 176.000 -0.033 0.000 0.993 331 Q CA 2.690 58.464 55.803 -0.050 0.000 0.862 331 Q CB -1.599 27.113 28.738 -0.044 0.000 0.915 331 Q HN 0.555 nan 8.270 nan 0.000 0.416 332 P HA -0.150 nan 4.420 nan 0.000 0.219 332 P C 0.956 178.233 177.300 -0.038 0.000 1.146 332 P CA 1.108 64.182 63.100 -0.044 0.000 0.808 332 P CB -0.081 31.585 31.700 -0.058 0.000 0.779 333 I N -1.487 119.071 120.570 -0.019 0.000 2.335 333 I HA -0.200 3.968 4.170 -0.002 0.000 0.251 333 I C 2.020 178.192 176.117 0.092 0.000 1.129 333 I CA 1.179 62.495 61.300 0.027 0.000 1.402 333 I CB -0.571 37.475 38.000 0.077 0.000 1.069 333 I HN -0.128 nan 8.210 nan 0.000 0.424 334 V N 1.018 120.974 119.914 0.070 0.000 2.307 334 V HA -0.241 3.878 4.120 -0.002 0.000 0.245 334 V C 2.730 178.864 176.094 0.068 0.000 1.045 334 V CA 1.957 64.315 62.300 0.097 0.000 1.024 334 V CB -0.917 30.944 31.823 0.063 0.000 0.651 334 V HN 0.487 nan 8.190 nan 0.000 0.449 335 A N -0.117 122.711 122.820 0.014 0.000 1.969 335 A HA -0.242 4.076 4.320 -0.002 0.000 0.218 335 A C 2.321 179.873 177.584 -0.054 0.000 1.169 335 A CA 1.988 54.017 52.037 -0.012 0.000 0.635 335 A CB -0.512 18.474 19.000 -0.023 0.000 0.810 335 A HN 0.540 nan 8.150 nan 0.000 0.445 336 K N -1.562 118.768 120.400 -0.117 0.000 2.152 336 K HA -0.179 4.140 4.320 -0.002 0.000 0.206 336 K C 0.285 176.648 176.600 -0.396 0.000 1.048 336 K CA 1.501 57.616 56.287 -0.287 0.000 0.933 336 K CB -0.246 32.001 32.500 -0.422 0.000 0.721 336 K HN 0.526 nan 8.250 nan 0.000 0.447 337 Y N 0.175 120.473 120.300 -0.004 0.000 2.746 337 Y HA 0.271 4.820 4.550 -0.002 0.000 0.312 337 Y C 0.881 176.779 175.900 -0.003 0.000 1.117 337 Y CA -0.041 58.058 58.100 -0.001 0.000 1.324 337 Y CB 0.652 39.114 38.460 0.003 0.000 1.173 337 Y HN 0.290 nan 8.280 nan 0.000 0.529 338 G N 0.539 109.378 108.800 0.065 0.000 2.225 338 G HA2 -0.262 3.697 3.960 -0.002 0.000 0.267 338 G HA3 -0.262 3.697 3.960 -0.002 0.000 0.267 338 G C 0.157 175.072 174.900 0.025 0.000 1.024 338 G CA 0.125 45.246 45.100 0.035 0.000 0.784 338 G HN 0.129 nan 8.290 nan 0.000 0.507 339 K N -0.548 119.875 120.400 0.038 0.000 2.352 339 K HA 0.695 5.014 4.320 -0.002 0.000 0.240 339 K C -0.085 176.520 176.600 0.009 0.000 1.017 339 K CA -0.598 55.697 56.287 0.013 0.000 0.851 339 K CB 1.248 33.778 32.500 0.051 0.000 1.261 339 K HN 0.042 nan 8.250 nan 0.000 0.451 340 T N 0.700 115.249 114.554 -0.009 0.000 2.799 340 T HA 0.211 4.559 4.350 -0.002 0.000 0.286 340 T C -0.251 174.525 174.700 0.127 0.000 0.973 340 T CA -0.504 61.628 62.100 0.053 0.000 1.035 340 T CB 1.379 70.283 68.868 0.060 0.000 0.932 340 T HN 0.268 nan 8.240 nan 0.000 0.469 341 V N 5.175 125.137 119.914 0.080 0.000 2.649 341 V HA 0.563 4.682 4.120 -0.002 0.000 0.292 341 V C -0.541 175.545 176.094 -0.014 0.000 1.055 341 V CA 0.070 62.395 62.300 0.042 0.000 1.023 341 V CB 0.964 32.797 31.823 0.015 0.000 0.992 341 V HN 0.685 nan 8.190 nan 0.000 0.480 342 V N 5.502 125.338 119.914 -0.130 0.000 2.789 342 V HA 0.957 5.076 4.120 -0.002 0.000 0.311 342 V C 0.334 176.067 176.094 -0.602 0.000 1.073 342 V CA 0.165 62.227 62.300 -0.397 0.000 0.921 342 V CB 1.681 33.176 31.823 -0.547 0.000 1.009 342 V HN 1.182 nan 8.190 nan 0.000 0.426 343 G N 1.192 109.658 108.800 -0.558 0.000 2.692 343 G HA2 0.578 4.537 3.960 -0.002 0.000 0.291 343 G HA3 0.578 4.537 3.960 -0.002 0.000 0.291 343 G C -1.793 173.026 174.900 -0.135 0.000 1.423 343 G CA -0.767 44.144 45.100 -0.316 0.000 0.843 343 G HN 0.542 nan 8.290 nan 0.000 0.486 344 W N 0.426 121.909 121.300 0.306 0.000 2.079 344 W HA 0.231 4.890 4.660 -0.002 0.000 0.354 344 W C 2.110 178.845 176.519 0.360 0.000 1.302 344 W CA 0.053 57.639 57.345 0.402 0.000 1.281 344 W CB 0.445 30.135 29.460 0.383 0.000 1.165 344 W HN 0.747 nan 8.180 nan 0.000 0.603 345 H N -0.237 119.235 119.070 0.670 0.000 2.557 345 H HA -0.157 4.398 4.556 -0.002 0.000 0.287 345 H C 1.175 176.719 175.328 0.359 0.000 1.043 345 H CA 1.489 57.795 56.048 0.430 0.000 1.226 345 H CB -0.123 29.893 29.762 0.422 0.000 1.361 345 H HN 0.469 nan 8.280 nan 0.000 0.592 346 Q N 0.770 120.648 119.800 0.130 0.000 2.226 346 Q HA -0.039 4.300 4.340 -0.002 0.000 0.204 346 Q C 2.410 178.634 176.000 0.373 0.000 0.975 346 Q CA 0.817 56.697 55.803 0.128 0.000 0.866 346 Q CB -0.350 28.417 28.738 0.048 0.000 0.915 346 Q HN 0.407 nan 8.270 nan 0.000 0.440 347 L N -0.022 121.453 121.223 0.420 0.000 2.191 347 L HA -0.071 4.268 4.340 -0.002 0.000 0.212 347 L C 1.762 178.792 176.870 0.265 0.000 1.103 347 L CA 1.715 56.771 54.840 0.360 0.000 0.769 347 L CB -0.717 41.487 42.059 0.242 0.000 0.908 347 L HN 0.176 nan 8.230 nan 0.000 0.438 348 A N -0.819 122.154 122.820 0.256 0.000 2.125 348 A HA 0.012 4.330 4.320 -0.002 0.000 0.219 348 A C 2.073 179.768 177.584 0.184 0.000 1.156 348 A CA 1.176 53.331 52.037 0.198 0.000 0.671 348 A CB -1.101 18.026 19.000 0.212 0.000 0.794 348 A HN 0.513 nan 8.150 nan 0.000 0.459 349 G N -2.049 106.890 108.800 0.232 0.000 3.189 349 G HA2 0.403 4.362 3.960 -0.002 0.000 0.225 349 G HA3 0.403 4.362 3.960 -0.002 0.000 0.225 349 G C 0.541 175.586 174.900 0.242 0.000 1.159 349 G CA 0.714 45.941 45.100 0.211 0.000 0.763 349 G HN 0.839 nan 8.290 nan 0.000 0.549 350 A N 0.429 123.390 122.820 0.234 0.000 2.795 350 A HA 0.591 4.910 4.320 -0.002 0.000 0.282 350 A C 0.327 177.957 177.584 0.077 0.000 0.964 350 A CA -0.072 52.057 52.037 0.155 0.000 1.045 350 A CB -0.311 18.737 19.000 0.080 0.000 1.174 350 A HN 0.403 nan 8.150 nan 0.000 0.493 351 E N 0.100 120.348 120.200 0.080 0.000 2.708 351 E HA -0.146 4.202 4.350 -0.002 0.000 0.150 351 E C -2.454 174.168 176.600 0.037 0.000 1.853 351 E CA -0.005 56.425 56.400 0.050 0.000 0.643 351 E CB -0.655 29.064 29.700 0.033 0.000 1.078 351 E HN 0.393 nan 8.360 nan 0.000 0.345 352 P HA 0.011 nan 4.420 nan 0.000 0.267 352 P C -0.069 177.242 177.300 0.018 0.000 1.205 352 P CA -0.108 63.013 63.100 0.034 0.000 0.765 352 P CB 0.846 32.572 31.700 0.043 0.000 0.828 353 V N 0.701 120.620 119.914 0.008 0.000 3.185 353 V HA 0.178 4.297 4.120 -0.002 0.000 0.305 353 V C 0.576 176.676 176.094 0.009 0.000 1.090 353 V CA -0.693 61.609 62.300 0.003 0.000 1.107 353 V CB 0.098 31.918 31.823 -0.004 0.000 1.061 353 V HN 0.545 nan 8.190 nan 0.000 0.480 354 E N 1.212 121.416 120.200 0.007 0.000 2.452 354 E HA 0.327 4.676 4.350 -0.002 0.000 0.261 354 E C 1.241 177.852 176.600 0.017 0.000 0.987 354 E CA 0.813 57.220 56.400 0.011 0.000 0.926 354 E CB 0.079 29.784 29.700 0.008 0.000 0.934 354 E HN 1.605 nan 8.360 nan 0.000 0.452 355 G N 2.377 111.192 108.800 0.024 0.000 2.205 355 G HA2 -0.338 3.620 3.960 -0.002 0.000 0.261 355 G HA3 -0.338 3.620 3.960 -0.002 0.000 0.261 355 G C 0.336 175.264 174.900 0.046 0.000 0.980 355 G CA 0.201 45.324 45.100 0.039 0.000 0.632 355 G HN 0.905 nan 8.290 nan 0.000 0.533 356 A N -0.455 122.380 122.820 0.025 0.000 2.366 356 A HA 0.740 5.059 4.320 -0.002 0.000 0.249 356 A C -0.007 177.562 177.584 -0.024 0.000 1.084 356 A CA 0.404 52.446 52.037 0.008 0.000 0.794 356 A CB 0.529 19.529 19.000 -0.000 0.000 1.034 356 A HN 0.952 nan 8.150 nan 0.000 0.491 357 L N 0.692 121.863 121.223 -0.088 0.000 2.354 357 L HA 0.632 4.971 4.340 -0.002 0.000 0.269 357 L C -0.175 176.573 176.870 -0.204 0.000 1.005 357 L CA -0.491 54.237 54.840 -0.186 0.000 0.819 357 L CB 2.091 43.924 42.059 -0.376 0.000 1.311 357 L HN 0.648 nan 8.230 nan 0.000 0.423 358 V N -0.352 119.474 119.914 -0.146 0.000 2.680 358 V HA 0.624 4.743 4.120 -0.002 0.000 0.309 358 V C -0.678 175.407 176.094 -0.015 0.000 1.052 358 V CA -0.738 61.535 62.300 -0.045 0.000 0.908 358 V CB 1.631 33.525 31.823 0.119 0.000 1.001 358 V HN 0.819 nan 8.190 nan 0.000 0.431 359 Q N 2.726 122.563 119.800 0.061 0.000 2.360 359 Q HA 0.375 4.713 4.340 -0.002 0.000 0.254 359 Q C -1.575 174.820 176.000 0.657 0.000 0.975 359 Q CA -0.710 55.215 55.803 0.203 0.000 0.912 359 Q CB 1.066 29.799 28.738 -0.009 0.000 1.212 359 Q HN 0.894 nan 8.270 nan 0.000 0.452 360 Y N 5.788 126.335 120.300 0.412 0.000 2.436 360 Y HA 0.091 4.640 4.550 -0.002 0.000 0.343 360 Y C -0.243 175.969 175.900 0.520 0.000 1.008 360 Y CA -0.275 58.047 58.100 0.370 0.000 1.241 360 Y CB 0.470 38.963 38.460 0.055 0.000 1.153 360 Y HN 0.688 nan 8.280 nan 0.000 0.521 361 W N 5.858 127.141 121.300 -0.029 0.000 2.693 361 W HA 0.545 5.204 4.660 -0.002 0.000 0.415 361 W C -0.041 176.225 176.519 -0.422 0.000 0.932 361 W CA -0.709 56.604 57.345 -0.053 0.000 2.200 361 W CB -0.778 28.869 29.460 0.312 0.000 1.188 361 W HN 0.740 nan 8.180 nan 0.000 0.665 362 G N 1.865 109.790 108.800 -1.457 0.000 2.611 362 G HA2 0.441 4.400 3.960 -0.002 0.000 0.273 362 G HA3 0.441 4.400 3.960 -0.002 0.000 0.273 362 G C -1.081 173.587 174.900 -0.388 0.000 1.305 362 G CA -0.080 44.396 45.100 -1.041 0.000 1.010 362 G HN 0.048 nan 8.290 nan 0.000 0.509 363 L N -1.883 119.234 121.223 -0.176 0.000 2.250 363 L HA 0.462 4.801 4.340 -0.002 0.000 0.252 363 L C 1.004 177.855 176.870 -0.032 0.000 1.054 363 L CA -0.617 54.168 54.840 -0.092 0.000 0.856 363 L CB 1.178 43.148 42.059 -0.148 0.000 1.443 363 L HN 0.395 nan 8.230 nan 0.000 0.427 364 D N 0.049 120.417 120.400 -0.053 0.000 2.123 364 D HA -0.149 4.490 4.640 -0.002 0.000 0.196 364 D C 1.875 178.130 176.300 -0.075 0.000 0.992 364 D CA 1.469 55.424 54.000 -0.074 0.000 0.833 364 D CB 0.060 40.819 40.800 -0.068 0.000 0.954 364 D HN 0.521 nan 8.370 nan 0.000 0.455 365 R N 0.297 120.756 120.500 -0.069 0.000 2.276 365 R HA 0.038 4.377 4.340 -0.002 0.000 0.203 365 R C 0.364 176.631 176.300 -0.056 0.000 1.017 365 R CA 0.368 56.433 56.100 -0.059 0.000 1.010 365 R CB -0.722 29.546 30.300 -0.054 0.000 0.900 365 R HN -0.122 nan 8.270 nan 0.000 0.469 366 T N 1.677 116.195 114.554 -0.060 0.000 2.939 366 T HA 0.114 4.463 4.350 -0.002 0.000 0.312 366 T C 0.657 175.331 174.700 -0.044 0.000 1.064 366 T CA 0.736 62.802 62.100 -0.056 0.000 1.136 366 T CB 0.942 69.781 68.868 -0.048 0.000 1.035 366 T HN 0.468 nan 8.240 nan 0.000 0.538 367 G N 1.681 110.458 108.800 -0.039 0.000 2.544 367 G HA2 0.092 4.051 3.960 -0.002 0.000 0.242 367 G HA3 0.092 4.051 3.960 -0.002 0.000 0.242 367 G C 0.769 175.651 174.900 -0.030 0.000 1.247 367 G CA -0.665 44.415 45.100 -0.034 0.000 0.840 367 G HN 0.712 nan 8.290 nan 0.000 0.578 368 D N 1.354 121.733 120.400 -0.034 0.000 2.149 368 D HA -0.160 4.478 4.640 -0.002 0.000 0.198 368 D C 2.650 178.935 176.300 -0.025 0.000 0.990 368 D CA 1.494 55.471 54.000 -0.038 0.000 0.839 368 D CB -0.173 40.605 40.800 -0.038 0.000 0.948 368 D HN 0.426 nan 8.370 nan 0.000 0.460 369 A N 0.970 123.782 122.820 -0.014 0.000 1.908 369 A HA -0.231 4.087 4.320 -0.002 0.000 0.218 369 A C 2.145 179.737 177.584 0.014 0.000 1.181 369 A CA 1.759 53.795 52.037 -0.002 0.000 0.627 369 A CB -0.545 18.456 19.000 0.000 0.000 0.818 369 A HN 0.244 nan 8.150 nan 0.000 0.445 370 E N -0.214 119.998 120.200 0.019 0.000 2.072 370 E HA -0.179 4.170 4.350 -0.002 0.000 0.191 370 E C 1.982 178.620 176.600 0.063 0.000 0.985 370 E CA 1.261 57.696 56.400 0.059 0.000 0.801 370 E CB -0.074 29.660 29.700 0.058 0.000 0.750 370 E HN 0.618 nan 8.360 nan 0.000 0.452 371 K N 0.100 120.508 120.400 0.012 0.000 2.097 371 K HA -0.114 4.205 4.320 -0.002 0.000 0.206 371 K C 2.133 178.690 176.600 -0.071 0.000 1.049 371 K CA 1.022 57.273 56.287 -0.060 0.000 0.933 371 K CB -0.109 32.324 32.500 -0.110 0.000 0.717 371 K HN 0.096 nan 8.250 nan 0.000 0.442 372 A N 1.528 124.326 122.820 -0.038 0.000 1.902 372 A HA -0.229 4.090 4.320 -0.002 0.000 0.217 372 A C 2.059 179.640 177.584 -0.005 0.000 1.181 372 A CA 1.593 53.612 52.037 -0.030 0.000 0.623 372 A CB -0.434 18.555 19.000 -0.018 0.000 0.818 372 A HN 0.377 nan 8.150 nan 0.000 0.443 373 E N -0.295 119.920 120.200 0.026 0.000 2.118 373 E HA -0.144 4.205 4.350 -0.002 0.000 0.195 373 E C 1.818 178.457 176.600 0.065 0.000 0.992 373 E CA 1.471 57.905 56.400 0.056 0.000 0.804 373 E CB -0.086 29.668 29.700 0.089 0.000 0.741 373 E HN 0.371 nan 8.360 nan 0.000 0.458 374 V N 0.752 120.700 119.914 0.056 0.000 2.379 374 V HA -0.170 3.949 4.120 -0.002 0.000 0.245 374 V C 2.359 178.442 176.094 -0.019 0.000 1.044 374 V CA 1.565 63.892 62.300 0.045 0.000 1.036 374 V CB -0.547 31.276 31.823 -0.000 0.000 0.664 374 V HN 0.392 nan 8.190 nan 0.000 0.453 375 A N -0.141 122.643 122.820 -0.060 0.000 1.972 375 A HA -0.233 4.086 4.320 -0.002 0.000 0.219 375 A C 2.159 179.729 177.584 -0.024 0.000 1.169 375 A CA 1.974 53.974 52.037 -0.061 0.000 0.635 375 A CB -0.426 18.527 19.000 -0.077 0.000 0.810 375 A HN 0.518 nan 8.150 nan 0.000 0.446 376 E N 0.122 120.318 120.200 -0.006 0.000 2.106 376 E HA 0.001 4.350 4.350 -0.002 0.000 0.192 376 E C 2.063 178.672 176.600 0.015 0.000 0.984 376 E CA 1.311 57.714 56.400 0.006 0.000 0.806 376 E CB -0.424 29.285 29.700 0.016 0.000 0.750 376 E HN 0.479 nan 8.360 nan 0.000 0.458 377 A N 0.635 123.472 122.820 0.027 0.000 1.933 377 A HA -0.063 4.256 4.320 -0.002 0.000 0.218 377 A C 2.397 179.993 177.584 0.019 0.000 1.175 377 A CA 1.933 53.991 52.037 0.035 0.000 0.628 377 A CB -0.900 18.135 19.000 0.059 0.000 0.814 377 A HN 0.344 nan 8.150 nan 0.000 0.444 378 A N -0.394 122.431 122.820 0.008 0.000 1.902 378 A HA -0.158 4.160 4.320 -0.002 0.000 0.217 378 A C 2.244 179.829 177.584 0.002 0.000 1.181 378 A CA 1.518 53.554 52.037 -0.000 0.000 0.623 378 A CB -0.462 18.529 19.000 -0.015 0.000 0.818 378 A HN 0.523 nan 8.150 nan 0.000 0.443 379 R N -0.355 120.145 120.500 0.001 0.000 2.096 379 R HA -0.077 4.262 4.340 -0.002 0.000 0.235 379 R C 0.895 177.200 176.300 0.007 0.000 1.127 379 R CA 1.295 57.397 56.100 0.002 0.000 0.968 379 R CB -0.217 30.082 30.300 0.000 0.000 0.861 379 R HN 0.470 nan 8.270 nan 0.000 0.440 380 N N -0.654 118.053 118.700 0.011 0.000 2.461 380 N HA 0.002 4.741 4.740 -0.002 0.000 0.188 380 N C 0.841 176.359 175.510 0.013 0.000 1.134 380 N CA 1.080 54.138 53.050 0.013 0.000 0.878 380 N CB 1.076 39.573 38.487 0.017 0.000 0.972 380 N HN 0.455 nan 8.380 nan 0.000 0.456 381 G N -0.623 108.184 108.800 0.013 0.000 2.184 381 G HA2 -0.235 3.724 3.960 -0.002 0.000 0.206 381 G HA3 -0.235 3.724 3.960 -0.002 0.000 0.206 381 G C 0.125 175.033 174.900 0.013 0.000 0.995 381 G CA -0.001 45.108 45.100 0.014 0.000 0.651 381 G HN 0.303 nan 8.290 nan 0.000 0.511 382 T N 1.760 116.320 114.554 0.012 0.000 2.870 382 T HA 0.518 4.866 4.350 -0.002 0.000 0.300 382 T C 1.034 175.728 174.700 -0.010 0.000 0.989 382 T CA 0.486 62.589 62.100 0.005 0.000 1.139 382 T CB 1.524 70.401 68.868 0.015 0.000 0.920 382 T HN 1.021 nan 8.240 nan 0.000 0.537 383 G N 2.318 111.100 108.800 -0.029 0.000 2.442 383 G HA2 0.477 4.436 3.960 -0.002 0.000 0.249 383 G HA3 0.477 4.436 3.960 -0.002 0.000 0.249 383 G C -0.817 174.022 174.900 -0.102 0.000 1.263 383 G CA -0.527 44.538 45.100 -0.058 0.000 0.846 383 G HN 0.501 nan 8.290 nan 0.000 0.555 384 L N 1.660 122.824 121.223 -0.098 0.000 2.322 384 L HA 0.502 4.841 4.340 -0.002 0.000 0.281 384 L C 0.090 176.857 176.870 -0.172 0.000 1.014 384 L CA -0.491 54.291 54.840 -0.095 0.000 0.815 384 L CB 1.779 43.814 42.059 -0.041 0.000 1.247 384 L HN 0.375 nan 8.230 nan 0.000 0.421 385 I N 4.583 125.038 120.570 -0.193 0.000 2.355 385 I HA 0.351 4.520 4.170 -0.002 0.000 0.288 385 I C -0.656 175.482 176.117 0.033 0.000 0.999 385 I CA -0.448 60.701 61.300 -0.251 0.000 1.163 385 I CB 1.186 38.860 38.000 -0.543 0.000 1.316 385 I HN 0.304 nan 8.210 nan 0.000 0.454 386 L N 6.371 127.647 121.223 0.087 0.000 2.264 386 L HA 0.426 4.765 4.340 -0.002 0.000 0.289 386 L C 0.144 177.200 176.870 0.311 0.000 1.044 386 L CA -0.171 54.806 54.840 0.228 0.000 0.807 386 L CB 1.141 43.326 42.059 0.210 0.000 1.192 386 L HN 0.687 nan 8.230 nan 0.000 0.425 387 S N 2.004 117.916 115.700 0.354 0.000 2.486 387 S HA 0.371 4.840 4.470 -0.002 0.000 0.144 387 S C -2.699 172.096 174.600 0.325 0.000 1.542 387 S CA -1.275 57.173 58.200 0.413 0.000 1.262 387 S CB 0.693 64.237 63.200 0.573 0.000 1.462 387 S HN 0.247 nan 8.310 nan 0.000 0.381 388 P HA 0.202 nan 4.420 nan 0.000 0.264 388 P C 1.054 178.223 177.300 -0.217 0.000 1.193 388 P CA 0.084 63.082 63.100 -0.170 0.000 0.763 388 P CB 0.604 32.029 31.700 -0.458 0.000 0.810 389 A N 4.008 126.566 122.820 -0.438 0.000 2.019 389 A HA -0.172 4.147 4.320 -0.002 0.000 0.219 389 A C 1.297 178.565 177.584 -0.527 0.000 1.164 389 A CA 1.809 53.325 52.037 -0.868 0.000 0.644 389 A CB -0.861 17.664 19.000 -0.792 0.000 0.805 389 A HN 0.615 nan 8.150 nan 0.000 0.449 390 D N -2.383 117.789 120.400 -0.380 0.000 2.427 390 D HA 0.117 4.755 4.640 -0.002 0.000 0.224 390 D C 1.189 177.362 176.300 -0.212 0.000 1.157 390 D CA -0.103 53.718 54.000 -0.298 0.000 0.828 390 D CB 0.106 40.748 40.800 -0.263 0.000 0.974 390 D HN 0.320 nan 8.370 nan 0.000 0.498 391 R N -0.622 119.765 120.500 -0.189 0.000 3.372 391 R HA 0.095 4.434 4.340 -0.002 0.000 0.150 391 R C 1.417 177.767 176.300 0.083 0.000 0.739 391 R CA 1.414 57.426 56.100 -0.146 0.000 1.041 391 R CB -0.553 29.424 30.300 -0.539 0.000 1.530 391 R HN 0.290 nan 8.270 nan 0.000 0.534 392 T N -1.975 112.674 114.554 0.158 0.000 3.132 392 T HA 0.270 4.619 4.350 -0.002 0.000 0.274 392 T C -0.125 174.796 174.700 0.369 0.000 1.011 392 T CA -0.254 62.025 62.100 0.298 0.000 0.899 392 T CB -0.136 68.956 68.868 0.374 0.000 1.089 392 T HN -0.117 nan 8.240 nan 0.000 0.543 393 Y N 2.427 122.792 120.300 0.108 0.000 2.624 393 Y HA 0.409 4.958 4.550 -0.002 0.000 0.354 393 Y C 1.346 177.285 175.900 0.066 0.000 1.051 393 Y CA -2.008 56.181 58.100 0.147 0.000 1.377 393 Y CB 0.180 38.740 38.460 0.166 0.000 1.168 393 Y HN 0.191 nan 8.280 nan 0.000 0.525 394 L N 2.110 123.399 121.223 0.110 0.000 2.456 394 L HA -0.157 4.181 4.340 -0.002 0.000 0.224 394 L C 1.684 178.551 176.870 -0.005 0.000 1.148 394 L CA 1.035 55.893 54.840 0.029 0.000 0.825 394 L CB -0.123 41.935 42.059 -0.001 0.000 0.937 394 L HN 0.579 nan 8.230 nan 0.000 0.450 395 D N -1.071 119.370 120.400 0.067 0.000 2.349 395 D HA -0.067 4.571 4.640 -0.002 0.000 0.215 395 D C 0.893 177.216 176.300 0.039 0.000 1.016 395 D CA -0.024 54.026 54.000 0.082 0.000 0.870 395 D CB 0.138 41.059 40.800 0.201 0.000 0.917 395 D HN 0.141 nan 8.370 nan 0.000 0.524 396 M N 1.498 121.096 119.600 -0.003 0.000 2.217 396 M HA 0.165 4.644 4.480 -0.002 0.000 0.354 396 M C 0.008 176.193 176.300 -0.192 0.000 1.225 396 M CA -0.309 54.935 55.300 -0.092 0.000 1.137 396 M CB 0.994 33.513 32.600 -0.136 0.000 1.576 396 M HN -0.255 nan 8.290 nan 0.000 0.461 397 K N 3.157 123.500 120.400 -0.095 0.000 2.414 397 K HA -0.038 4.281 4.320 -0.002 0.000 0.272 397 K C 0.092 176.640 176.600 -0.086 0.000 0.993 397 K CA 0.230 56.476 56.287 -0.069 0.000 0.964 397 K CB 0.367 32.987 32.500 0.200 0.000 0.925 397 K HN 0.589 nan 8.250 nan 0.000 0.487 398 Y N 0.340 120.598 120.300 -0.069 0.000 2.243 398 Y HA -0.127 4.422 4.550 -0.002 0.000 0.293 398 Y C 1.576 177.443 175.900 -0.055 0.000 1.124 398 Y CA 0.872 58.889 58.100 -0.139 0.000 1.159 398 Y CB 0.125 38.212 38.460 -0.621 0.000 1.008 398 Y HN 0.712 nan 8.280 nan 0.000 0.527 399 T N -3.209 111.335 114.554 -0.017 0.000 2.754 399 T HA 0.240 4.588 4.350 -0.002 0.000 0.296 399 T C 0.492 174.759 174.700 -0.721 0.000 1.205 399 T CA -0.751 61.117 62.100 -0.386 0.000 1.009 399 T CB 1.842 70.618 68.868 -0.154 0.000 1.368 399 T HN 0.159 nan 8.240 nan 0.000 0.509 400 K N -0.131 119.631 120.400 -1.063 0.000 2.442 400 K HA -0.051 4.268 4.320 -0.002 0.000 0.198 400 K C 0.434 176.943 176.600 -0.151 0.000 1.044 400 K CA 1.400 57.327 56.287 -0.601 0.000 0.948 400 K CB -0.225 32.066 32.500 -0.349 0.000 0.762 400 K HN 0.469 nan 8.250 nan 0.000 0.472 401 D N 1.224 121.555 120.400 -0.115 0.000 2.349 401 D HA 0.004 4.643 4.640 -0.002 0.000 0.214 401 D C -0.216 176.115 176.300 0.053 0.000 1.063 401 D CA 0.304 54.302 54.000 -0.003 0.000 0.847 401 D CB 0.324 41.134 40.800 0.017 0.000 0.933 401 D HN 0.122 nan 8.370 nan 0.000 0.513 402 T N 3.555 118.147 114.554 0.063 0.000 2.871 402 T HA 0.019 4.368 4.350 -0.002 0.000 0.296 402 T C -1.133 173.643 174.700 0.128 0.000 0.998 402 T CA -0.745 61.441 62.100 0.143 0.000 1.162 402 T CB 1.546 70.498 68.868 0.141 0.000 0.947 402 T HN 0.097 nan 8.240 nan 0.000 0.536 403 P HA 0.048 nan 4.420 nan 0.000 0.223 403 P C 0.149 177.490 177.300 0.067 0.000 1.151 403 P CA 0.735 63.870 63.100 0.059 0.000 0.787 403 P CB 0.417 32.111 31.700 -0.010 0.000 0.788 404 L N -2.172 119.119 121.223 0.114 0.000 2.235 404 L HA 0.699 5.038 4.340 -0.002 0.000 0.260 404 L C 0.796 177.735 176.870 0.115 0.000 1.025 404 L CA -0.387 54.519 54.840 0.111 0.000 0.836 404 L CB 1.110 43.247 42.059 0.130 0.000 1.395 404 L HN 0.064 nan 8.230 nan 0.000 0.443 405 G N -0.078 108.785 108.800 0.106 0.000 2.760 405 G HA2 -0.138 3.821 3.960 -0.002 0.000 0.246 405 G HA3 -0.138 3.821 3.960 -0.002 0.000 0.246 405 G C -1.270 173.694 174.900 0.105 0.000 1.359 405 G CA -0.676 44.478 45.100 0.091 0.000 0.861 405 G HN 0.482 nan 8.290 nan 0.000 0.541 406 L N -0.554 120.730 121.223 0.101 0.000 2.271 406 L HA 0.788 5.127 4.340 -0.002 0.000 0.265 406 L C 1.282 178.165 176.870 0.021 0.000 1.013 406 L CA -0.219 54.696 54.840 0.125 0.000 0.820 406 L CB 2.251 44.464 42.059 0.256 0.000 1.352 406 L HN 1.179 nan 8.230 nan 0.000 0.443 407 S N -2.578 113.121 115.700 -0.001 0.000 2.960 407 S HA -0.005 4.464 4.470 -0.002 0.000 0.256 407 S C 0.943 175.400 174.600 -0.238 0.000 1.017 407 S CA -0.842 57.230 58.200 -0.214 0.000 1.144 407 S CB -0.163 62.921 63.200 -0.195 0.000 1.109 407 S HN 0.857 nan 8.310 nan 0.000 0.638 408 W N 1.646 122.881 121.300 -0.110 0.000 2.392 408 W HA 0.230 4.889 4.660 -0.002 0.000 0.279 408 W C 0.951 177.396 176.519 -0.123 0.000 1.225 408 W CA 0.710 57.995 57.345 -0.101 0.000 1.233 408 W CB -0.834 28.591 29.460 -0.057 0.000 1.122 408 W HN 0.472 nan 8.180 nan 0.000 0.561 409 A N 1.244 123.498 122.820 -0.943 0.000 2.415 409 A HA 0.534 4.853 4.320 -0.002 0.000 0.248 409 A C 1.131 178.401 177.584 -0.523 0.000 1.299 409 A CA 0.862 52.370 52.037 -0.882 0.000 0.899 409 A CB -0.958 17.222 19.000 -1.367 0.000 0.997 409 A HN 0.656 nan 8.150 nan 0.000 0.506 410 G N -1.127 107.379 108.800 -0.489 0.000 2.660 410 G HA2 -0.146 3.813 3.960 -0.002 0.000 0.215 410 G HA3 -0.146 3.813 3.960 -0.002 0.000 0.215 410 G C -0.608 173.923 174.900 -0.616 0.000 1.345 410 G CA -0.324 44.466 45.100 -0.517 0.000 0.877 410 G HN 0.434 nan 8.290 nan 0.000 0.549 411 Y N -1.208 119.037 120.300 -0.091 0.000 2.387 411 Y HA 0.596 5.144 4.550 -0.002 0.000 0.330 411 Y C 0.700 176.563 175.900 -0.061 0.000 1.133 411 Y CA -0.813 57.245 58.100 -0.070 0.000 1.152 411 Y CB 2.224 40.675 38.460 -0.016 0.000 1.215 411 Y HN 0.461 nan 8.280 nan 0.000 0.466 412 V N 3.266 123.246 119.914 0.109 0.000 2.385 412 V HA 0.232 4.351 4.120 -0.002 0.000 0.277 412 V C -0.062 176.136 176.094 0.173 0.000 1.012 412 V CA -0.946 61.399 62.300 0.075 0.000 0.832 412 V CB 0.751 32.574 31.823 -0.001 0.000 1.028 412 V HN 0.710 nan 8.190 nan 0.000 0.436 413 E N 1.824 122.148 120.200 0.207 0.000 2.376 413 E HA 0.249 4.598 4.350 -0.002 0.000 0.254 413 E C 1.203 177.971 176.600 0.281 0.000 1.213 413 E CA -0.091 56.490 56.400 0.303 0.000 0.945 413 E CB 1.794 31.623 29.700 0.214 0.000 1.057 413 E HN 0.280 nan 8.360 nan 0.000 0.479 414 V N 1.118 121.234 119.914 0.338 0.000 2.287 414 V HA -0.305 3.814 4.120 -0.002 0.000 0.248 414 V C 2.524 178.681 176.094 0.104 0.000 1.053 414 V CA 2.335 64.837 62.300 0.337 0.000 1.027 414 V CB -0.552 31.553 31.823 0.469 0.000 0.646 414 V HN 0.652 nan 8.190 nan 0.000 0.447 415 Q N 0.100 119.683 119.800 -0.361 0.000 2.050 415 Q HA -0.266 4.073 4.340 -0.002 0.000 0.202 415 Q C 2.531 178.418 176.000 -0.189 0.000 0.980 415 Q CA 2.033 57.316 55.803 -0.868 0.000 0.840 415 Q CB -0.168 27.757 28.738 -1.355 0.000 0.898 415 Q HN 0.573 nan 8.270 nan 0.000 0.424 416 R N -0.257 120.204 120.500 -0.066 0.000 2.091 416 R HA -0.148 4.191 4.340 -0.002 0.000 0.238 416 R C 2.409 178.809 176.300 0.167 0.000 1.136 416 R CA 1.667 57.793 56.100 0.045 0.000 0.959 416 R CB -0.436 29.880 30.300 0.026 0.000 0.856 416 R HN 0.188 nan 8.270 nan 0.000 0.437 417 S N -0.812 115.020 115.700 0.220 0.000 2.399 417 S HA -0.193 4.275 4.470 -0.002 0.000 0.231 417 S C 1.572 176.502 174.600 0.551 0.000 1.022 417 S CA 1.218 59.618 58.200 0.335 0.000 0.983 417 S CB -0.245 63.147 63.200 0.320 0.000 0.803 417 S HN 0.621 nan 8.310 nan 0.000 0.480 418 Y N 1.038 121.535 120.300 0.328 0.000 2.479 418 Y HA 0.333 4.881 4.550 -0.002 0.000 0.283 418 Y C 0.673 176.785 175.900 0.353 0.000 1.109 418 Y CA 0.407 58.660 58.100 0.254 0.000 1.239 418 Y CB 0.014 38.573 38.460 0.165 0.000 1.108 418 Y HN 0.106 nan 8.280 nan 0.000 0.548 419 D N 2.872 123.509 120.400 0.394 0.000 2.745 419 D HA 0.055 4.694 4.640 -0.002 0.000 0.229 419 D C -0.884 175.642 176.300 0.377 0.000 1.088 419 D CA 0.282 54.496 54.000 0.357 0.000 1.054 419 D CB -0.825 40.129 40.800 0.257 0.000 1.132 419 D HN 0.398 nan 8.370 nan 0.000 0.464 420 W N 0.253 121.497 121.300 -0.094 0.000 3.005 420 W HA 0.432 5.091 4.660 -0.001 0.000 0.343 420 W C -1.637 174.684 176.519 -0.329 0.000 1.243 420 W CA -1.034 56.231 57.345 -0.134 0.000 1.186 420 W CB 0.431 29.887 29.460 -0.006 0.000 1.453 420 W HN -0.164 nan 8.180 nan 0.000 0.575 421 D N 1.511 121.876 120.400 -0.058 0.000 2.471 421 D HA 0.439 5.078 4.640 -0.002 0.000 0.245 421 D C -1.808 174.505 176.300 0.022 0.000 1.116 421 D CA -2.445 51.421 54.000 -0.223 0.000 0.853 421 D CB 2.677 43.386 40.800 -0.153 0.000 1.123 421 D HN -0.164 nan 8.370 nan 0.000 0.540 422 P HA -0.110 nan 4.420 nan 0.000 0.217 422 P C 0.996 178.390 177.300 0.158 0.000 1.148 422 P CA 1.287 64.408 63.100 0.034 0.000 0.828 422 P CB 0.302 31.869 31.700 -0.222 0.000 0.783 423 A N -0.510 122.399 122.820 0.149 0.000 1.972 423 A HA 0.005 4.324 4.320 -0.002 0.000 0.219 423 A C 2.115 179.760 177.584 0.101 0.000 1.169 423 A CA 1.877 53.996 52.037 0.138 0.000 0.635 423 A CB -1.367 17.688 19.000 0.091 0.000 0.810 423 A HN 0.326 nan 8.150 nan 0.000 0.446 424 G N -3.137 105.727 108.800 0.108 0.000 3.651 424 G HA2 0.269 4.228 3.960 -0.002 0.000 0.279 424 G HA3 0.269 4.228 3.960 -0.002 0.000 0.279 424 G C 0.802 175.762 174.900 0.101 0.000 1.024 424 G CA 0.452 45.598 45.100 0.076 0.000 0.813 424 G HN 0.387 nan 8.290 nan 0.000 0.518 425 Y N 0.764 121.109 120.300 0.074 0.000 2.133 425 Y HA 0.166 4.715 4.550 -0.002 0.000 0.287 425 Y C 0.905 176.785 175.900 -0.033 0.000 1.134 425 Y CA 0.628 58.780 58.100 0.086 0.000 1.133 425 Y CB 0.087 38.686 38.460 0.232 0.000 0.987 425 Y HN 0.102 nan 8.280 nan 0.000 0.502 426 L N 3.182 124.313 121.223 -0.153 0.000 2.261 426 L HA 0.405 4.744 4.340 -0.002 0.000 0.289 426 L C -2.566 174.173 176.870 -0.219 0.000 1.059 426 L CA -2.245 52.397 54.840 -0.331 0.000 0.816 426 L CB 0.393 42.269 42.059 -0.306 0.000 1.191 426 L HN -0.049 nan 8.230 nan 0.000 0.431 427 P HA 0.157 nan 4.420 nan 0.000 0.261 427 P C 0.754 177.986 177.300 -0.113 0.000 1.173 427 P CA 1.013 64.024 63.100 -0.148 0.000 0.760 427 P CB 0.540 32.152 31.700 -0.147 0.000 0.783 428 G N 2.081 110.834 108.800 -0.077 0.000 2.212 428 G HA2 -0.253 3.706 3.960 -0.002 0.000 0.266 428 G HA3 -0.253 3.706 3.960 -0.002 0.000 0.266 428 G C 0.446 175.314 174.900 -0.052 0.000 0.978 428 G CA 0.093 45.158 45.100 -0.058 0.000 0.632 428 G HN 0.882 nan 8.290 nan 0.000 0.537 429 A N 0.911 123.693 122.820 -0.064 0.000 2.362 429 A HA 0.676 4.995 4.320 -0.002 0.000 0.276 429 A C -1.609 175.962 177.584 -0.022 0.000 1.153 429 A CA -0.933 51.074 52.037 -0.050 0.000 0.813 429 A CB 0.359 19.315 19.000 -0.074 0.000 1.081 429 A HN 0.173 nan 8.150 nan 0.000 0.507 430 P HA 0.205 nan 4.420 nan 0.000 0.267 430 P C 0.884 178.195 177.300 0.018 0.000 1.209 430 P CA 0.456 63.558 63.100 0.003 0.000 0.763 430 P CB 1.085 32.787 31.700 0.004 0.000 0.816 431 A N 4.399 127.236 122.820 0.028 0.000 1.948 431 A HA -0.220 4.099 4.320 -0.002 0.000 0.220 431 A C 1.688 179.317 177.584 0.075 0.000 1.177 431 A CA 1.952 54.022 52.037 0.055 0.000 0.636 431 A CB -0.994 18.034 19.000 0.046 0.000 0.815 431 A HN 0.660 nan 8.150 nan 0.000 0.449 432 D N -0.055 120.374 120.400 0.050 0.000 2.371 432 D HA 0.094 4.732 4.640 -0.002 0.000 0.221 432 D C 1.461 177.796 176.300 0.058 0.000 0.986 432 D CA 0.992 55.024 54.000 0.054 0.000 0.899 432 D CB -0.198 40.620 40.800 0.030 0.000 0.902 432 D HN 0.428 nan 8.370 nan 0.000 0.530 433 A N 0.612 123.458 122.820 0.045 0.000 2.132 433 A HA 0.171 4.490 4.320 -0.002 0.000 0.213 433 A C 1.199 178.797 177.584 0.025 0.000 1.154 433 A CA -0.148 51.906 52.037 0.028 0.000 0.753 433 A CB 0.056 19.062 19.000 0.010 0.000 0.826 433 A HN 0.134 nan 8.150 nan 0.000 0.469 434 V N 2.254 122.198 119.914 0.050 0.000 2.415 434 V HA 0.069 4.188 4.120 -0.002 0.000 0.267 434 V C 1.191 177.310 176.094 0.041 0.000 1.042 434 V CA -0.224 62.083 62.300 0.010 0.000 1.000 434 V CB 0.402 32.235 31.823 0.017 0.000 1.015 434 V HN 0.427 nan 8.190 nan 0.000 0.478 435 R N 3.314 123.792 120.500 -0.037 0.000 2.161 435 R HA 0.296 4.635 4.340 -0.002 0.000 0.213 435 R C 0.982 177.319 176.300 0.061 0.000 1.055 435 R CA 0.871 57.002 56.100 0.052 0.000 0.996 435 R CB 0.147 30.429 30.300 -0.030 0.000 0.901 435 R HN 0.895 nan 8.270 nan 0.000 0.456 436 G N -0.652 108.005 108.800 -0.239 0.000 2.398 436 G HA2 0.212 4.171 3.960 -0.002 0.000 0.251 436 G HA3 0.212 4.171 3.960 -0.002 0.000 0.251 436 G C -1.372 173.409 174.900 -0.198 0.000 1.277 436 G CA -0.195 44.710 45.100 -0.326 0.000 0.927 436 G HN 0.145 nan 8.290 nan 0.000 0.477 437 V N -2.740 117.220 119.914 0.075 0.000 3.160 437 V HA 0.970 5.089 4.120 -0.002 0.000 0.310 437 V C -0.785 175.541 176.094 0.387 0.000 1.181 437 V CA -0.464 61.945 62.300 0.182 0.000 1.047 437 V CB 1.870 33.757 31.823 0.107 0.000 1.068 437 V HN 1.269 nan 8.190 nan 0.000 0.441 438 E N 0.631 121.066 120.200 0.391 0.000 2.366 438 E HA 0.767 5.116 4.350 -0.002 0.000 0.278 438 E C -1.253 175.570 176.600 0.371 0.000 0.923 438 E CA -0.722 55.933 56.400 0.424 0.000 0.761 438 E CB 2.326 32.294 29.700 0.446 0.000 1.231 438 E HN 1.403 nan 8.360 nan 0.000 0.443 439 A N 4.689 127.684 122.820 0.291 0.000 2.399 439 A HA 0.537 4.856 4.320 -0.002 0.000 0.327 439 A C -2.636 174.969 177.584 0.034 0.000 1.367 439 A CA -1.547 50.612 52.037 0.203 0.000 0.842 439 A CB 0.677 19.796 19.000 0.198 0.000 1.142 439 A HN 0.306 nan 8.150 nan 0.000 0.495 440 P HA 0.367 nan 4.420 nan 0.000 0.285 440 P C -0.736 176.251 177.300 -0.522 0.000 1.259 440 P CA -0.345 62.509 63.100 -0.410 0.000 0.794 440 P CB 1.193 32.538 31.700 -0.591 0.000 0.940 441 L N 5.081 125.940 121.223 -0.606 0.000 2.337 441 L HA 0.471 4.810 4.340 -0.002 0.000 0.269 441 L C -1.401 175.155 176.870 -0.523 0.000 1.018 441 L CA -0.810 53.765 54.840 -0.441 0.000 0.876 441 L CB -0.189 41.657 42.059 -0.356 0.000 1.236 441 L HN 0.294 nan 8.230 nan 0.000 0.436 442 W N 2.674 123.828 121.300 -0.242 0.000 2.202 442 W HA 0.447 5.105 4.660 -0.002 0.000 0.332 442 W C 1.158 177.633 176.519 -0.073 0.000 1.263 442 W CA -0.084 57.139 57.345 -0.203 0.000 1.223 442 W CB 1.097 30.426 29.460 -0.219 0.000 1.128 442 W HN 0.621 nan 8.180 nan 0.000 0.573 443 T N -2.204 112.499 114.554 0.249 0.000 3.266 443 T HA 0.164 4.513 4.350 -0.002 0.000 0.278 443 T C 0.756 175.678 174.700 0.370 0.000 1.010 443 T CA -0.343 61.928 62.100 0.284 0.000 0.909 443 T CB -0.049 69.041 68.868 0.370 0.000 1.122 443 T HN 0.303 nan 8.240 nan 0.000 0.536 444 E N 2.171 122.532 120.200 0.268 0.000 2.130 444 E HA -0.117 4.232 4.350 -0.002 0.000 0.196 444 E C 2.112 178.889 176.600 0.295 0.000 0.998 444 E CA 2.035 58.568 56.400 0.222 0.000 0.806 444 E CB -0.150 29.638 29.700 0.146 0.000 0.738 444 E HN 0.789 nan 8.360 nan 0.000 0.459 445 T N -2.610 112.088 114.554 0.239 0.000 3.054 445 T HA 0.278 4.627 4.350 -0.002 0.000 0.255 445 T C 0.260 175.011 174.700 0.085 0.000 1.035 445 T CA -0.314 61.888 62.100 0.169 0.000 0.941 445 T CB 0.011 68.956 68.868 0.128 0.000 1.026 445 T HN -0.105 nan 8.240 nan 0.000 0.533 446 L N 2.127 123.406 121.223 0.094 0.000 2.325 446 L HA 0.566 4.905 4.340 -0.002 0.000 0.281 446 L C 0.724 177.509 176.870 -0.143 0.000 1.004 446 L CA -0.770 54.087 54.840 0.030 0.000 0.823 446 L CB 2.039 44.167 42.059 0.115 0.000 1.236 446 L HN 0.199 nan 8.230 nan 0.000 0.415 447 S N -0.822 114.726 115.700 -0.254 0.000 2.603 447 S HA 0.212 4.681 4.470 -0.002 0.000 0.232 447 S C -0.166 174.382 174.600 -0.087 0.000 1.016 447 S CA -0.378 57.571 58.200 -0.418 0.000 0.976 447 S CB -0.106 62.757 63.200 -0.562 0.000 0.921 447 S HN 0.771 nan 8.310 nan 0.000 0.516 448 D N -0.688 119.804 120.400 0.154 0.000 2.596 448 D HA 0.505 5.144 4.640 -0.002 0.000 0.234 448 D C -2.743 173.722 176.300 0.276 0.000 1.181 448 D CA -1.824 52.313 54.000 0.229 0.000 0.856 448 D CB 0.975 41.822 40.800 0.077 0.000 1.498 448 D HN -0.263 nan 8.370 nan 0.000 0.446 449 P HA -0.150 nan 4.420 nan 0.000 0.217 449 P C 0.405 177.762 177.300 0.096 0.000 1.151 449 P CA 1.171 64.340 63.100 0.114 0.000 0.849 449 P CB 0.140 31.907 31.700 0.112 0.000 0.787 450 D N -1.055 119.402 120.400 0.095 0.000 2.144 450 D HA -0.129 4.509 4.640 -0.002 0.000 0.200 450 D C 2.033 178.408 176.300 0.124 0.000 0.978 450 D CA 1.025 55.081 54.000 0.093 0.000 0.833 450 D CB -0.501 40.334 40.800 0.060 0.000 0.961 450 D HN 0.342 nan 8.370 nan 0.000 0.470 451 Q N 0.034 119.899 119.800 0.107 0.000 2.167 451 Q HA -0.000 4.339 4.340 -0.002 0.000 0.202 451 Q C 2.456 178.550 176.000 0.156 0.000 0.970 451 Q CA 0.483 56.363 55.803 0.128 0.000 0.855 451 Q CB 0.063 28.849 28.738 0.080 0.000 0.911 451 Q HN 0.316 nan 8.270 nan 0.000 0.438 452 L N 0.793 122.067 121.223 0.086 0.000 2.046 452 L HA -0.213 4.126 4.340 -0.002 0.000 0.208 452 L C 1.824 178.809 176.870 0.192 0.000 1.077 452 L CA 0.968 55.821 54.840 0.021 0.000 0.747 452 L CB -0.465 41.482 42.059 -0.187 0.000 0.896 452 L HN 0.204 nan 8.230 nan 0.000 0.432 453 D N -0.630 119.920 120.400 0.251 0.000 2.097 453 D HA -0.245 4.394 4.640 -0.002 0.000 0.195 453 D C 1.942 178.479 176.300 0.396 0.000 0.989 453 D CA 1.343 55.560 54.000 0.362 0.000 0.827 453 D CB -0.272 40.639 40.800 0.185 0.000 0.966 453 D HN 0.290 nan 8.370 nan 0.000 0.456 454 Y N 0.663 121.088 120.300 0.207 0.000 2.256 454 Y HA -0.200 4.349 4.550 -0.002 0.000 0.288 454 Y C 2.056 178.154 175.900 0.329 0.000 1.155 454 Y CA 1.400 59.640 58.100 0.233 0.000 1.203 454 Y CB 0.030 38.586 38.460 0.160 0.000 0.980 454 Y HN -0.124 nan 8.280 nan 0.000 0.530 455 M N -1.112 118.653 119.600 0.275 0.000 2.486 455 M HA 0.146 4.625 4.480 -0.002 0.000 0.264 455 M C 2.298 178.668 176.300 0.116 0.000 1.125 455 M CA 1.061 56.445 55.300 0.140 0.000 1.144 455 M CB -1.316 31.345 32.600 0.102 0.000 1.353 455 M HN 0.381 nan 8.290 nan 0.000 0.466 456 A N -0.144 122.766 122.820 0.149 0.000 1.898 456 A HA 0.082 4.401 4.320 -0.002 0.000 0.214 456 A C 0.616 178.107 177.584 -0.155 0.000 1.183 456 A CA 0.691 52.734 52.037 0.011 0.000 0.622 456 A CB -0.239 18.792 19.000 0.053 0.000 0.824 456 A HN 0.290 nan 8.150 nan 0.000 0.444 457 F N -0.755 119.207 119.950 0.020 0.000 2.422 457 F HA 0.424 4.950 4.527 -0.002 0.000 0.333 457 F C -1.610 174.259 175.800 0.115 0.000 1.095 457 F CA -2.178 55.759 58.000 -0.105 0.000 1.038 457 F CB 1.477 40.163 39.000 -0.523 0.000 1.156 457 F HN -0.029 nan 8.300 nan 0.000 0.483 458 P HA 0.133 nan 4.420 nan 0.000 0.261 458 P C 0.607 178.119 177.300 0.353 0.000 1.352 458 P CA 0.357 63.708 63.100 0.419 0.000 0.891 458 P CB 0.210 32.409 31.700 0.832 0.000 1.383 459 R N -0.565 120.110 120.500 0.293 0.000 2.153 459 R HA 0.018 4.357 4.340 -0.002 0.000 0.218 459 R C 2.144 178.529 176.300 0.143 0.000 1.072 459 R CA 0.362 56.627 56.100 0.276 0.000 0.990 459 R CB -0.804 29.672 30.300 0.294 0.000 0.889 459 R HN 0.131 nan 8.270 nan 0.000 0.452 460 L N 1.974 123.159 121.223 -0.064 0.000 2.013 460 L HA -0.123 4.215 4.340 -0.002 0.000 0.212 460 L C -1.025 175.812 176.870 -0.054 0.000 1.073 460 L CA 2.090 56.858 54.840 -0.119 0.000 0.753 460 L CB -0.843 40.907 42.059 -0.515 0.000 0.890 460 L HN 0.020 nan 8.230 nan 0.000 0.432 461 P HA -0.086 nan 4.420 nan 0.000 0.217 461 P C 1.619 178.923 177.300 0.007 0.000 1.150 461 P CA 1.705 64.548 63.100 -0.428 0.000 0.832 461 P CB -0.391 31.027 31.700 -0.470 0.000 0.787 462 G N -0.180 108.730 108.800 0.183 0.000 2.418 462 G HA2 -0.228 3.731 3.960 -0.002 0.000 0.217 462 G HA3 -0.228 3.731 3.960 -0.002 0.000 0.217 462 G C 1.583 176.597 174.900 0.191 0.000 1.158 462 G CA 0.779 46.018 45.100 0.231 0.000 0.771 462 G HN 0.157 nan 8.290 nan 0.000 0.545 463 V N 1.492 121.524 119.914 0.198 0.000 2.515 463 V HA -0.086 4.033 4.120 -0.002 0.000 0.250 463 V C 3.275 179.400 176.094 0.053 0.000 1.058 463 V CA 1.796 64.205 62.300 0.182 0.000 1.064 463 V CB -0.754 31.258 31.823 0.316 0.000 0.675 463 V HN 0.472 nan 8.190 nan 0.000 0.461 464 A N -0.011 122.766 122.820 -0.072 0.000 1.933 464 A HA -0.266 4.053 4.320 -0.002 0.000 0.218 464 A C 2.278 179.820 177.584 -0.069 0.000 1.175 464 A CA 1.962 53.772 52.037 -0.378 0.000 0.628 464 A CB -0.432 18.277 19.000 -0.485 0.000 0.814 464 A HN 0.640 nan 8.150 nan 0.000 0.444 465 E N 0.006 120.226 120.200 0.033 0.000 2.072 465 E HA -0.124 4.225 4.350 -0.002 0.000 0.191 465 E C 1.859 178.517 176.600 0.098 0.000 0.985 465 E CA 0.935 57.409 56.400 0.123 0.000 0.801 465 E CB -0.246 29.550 29.700 0.160 0.000 0.750 465 E HN 0.611 nan 8.360 nan 0.000 0.452 466 L N 0.007 121.223 121.223 -0.012 0.000 2.079 466 L HA -0.106 4.232 4.340 -0.002 0.000 0.210 466 L C 2.527 179.414 176.870 0.028 0.000 1.081 466 L CA 1.231 55.990 54.840 -0.135 0.000 0.752 466 L CB -0.507 41.304 42.059 -0.414 0.000 0.896 466 L HN 0.331 nan 8.230 nan 0.000 0.433 467 G N -1.521 107.332 108.800 0.088 0.000 2.494 467 G HA2 -0.223 3.736 3.960 -0.002 0.000 0.216 467 G HA3 -0.223 3.736 3.960 -0.002 0.000 0.216 467 G C 1.333 176.398 174.900 0.274 0.000 1.140 467 G CA -0.090 45.147 45.100 0.230 0.000 0.801 467 G HN 0.423 nan 8.290 nan 0.000 0.536 468 W N 1.402 122.712 121.300 0.016 0.000 2.780 468 W HA 0.324 4.984 4.660 -0.002 0.000 0.272 468 W C 0.111 176.615 176.519 -0.026 0.000 1.116 468 W CA 0.383 57.718 57.345 -0.016 0.000 1.600 468 W CB -0.172 29.256 29.460 -0.053 0.000 1.086 468 W HN 0.004 nan 8.180 nan 0.000 0.584 469 S N 2.133 118.019 115.700 0.311 0.000 2.585 469 S HA 0.189 4.658 4.470 -0.002 0.000 0.273 469 S C -2.341 172.270 174.600 0.019 0.000 1.339 469 S CA -0.834 57.489 58.200 0.205 0.000 1.028 469 S CB 0.698 64.041 63.200 0.239 0.000 0.906 469 S HN -0.094 nan 8.310 nan 0.000 0.528 470 P HA 0.199 nan 4.420 nan 0.000 0.271 470 P C 0.151 177.444 177.300 -0.012 0.000 1.218 470 P CA -0.209 62.860 63.100 -0.052 0.000 0.780 470 P CB 0.434 32.113 31.700 -0.035 0.000 0.901 471 A N 2.551 125.343 122.820 -0.047 0.000 1.978 471 A HA -0.197 4.122 4.320 -0.002 0.000 0.220 471 A C 2.071 179.675 177.584 0.032 0.000 1.170 471 A CA 2.268 54.289 52.037 -0.026 0.000 0.636 471 A CB -1.696 17.270 19.000 -0.058 0.000 0.810 471 A HN 0.615 nan 8.150 nan 0.000 0.448 472 S N -0.348 115.365 115.700 0.022 0.000 2.442 472 S HA -0.136 4.333 4.470 -0.002 0.000 0.236 472 S C 1.671 176.313 174.600 0.069 0.000 1.007 472 S CA 1.752 59.975 58.200 0.040 0.000 0.965 472 S CB -1.104 62.107 63.200 0.019 0.000 0.773 472 S HN 0.819 nan 8.310 nan 0.000 0.504 473 T N -2.157 112.449 114.554 0.086 0.000 3.081 473 T HA 0.102 4.451 4.350 -0.002 0.000 0.250 473 T C 0.646 175.436 174.700 0.149 0.000 1.100 473 T CA -0.276 61.887 62.100 0.106 0.000 1.038 473 T CB -0.656 68.276 68.868 0.107 0.000 0.962 473 T HN 0.567 nan 8.240 nan 0.000 0.516 474 H N 1.823 120.932 119.070 0.064 0.000 2.899 474 H HA 0.405 4.959 4.556 -0.002 0.000 0.303 474 H C -1.130 174.283 175.328 0.142 0.000 1.042 474 H CA 0.717 56.810 56.048 0.075 0.000 1.479 474 H CB 0.342 30.057 29.762 -0.078 0.000 1.493 474 H HN 0.415 nan 8.280 nan 0.000 0.534 475 D N 5.391 125.761 120.400 -0.049 0.000 2.521 475 D HA -0.039 4.600 4.640 -0.002 0.000 0.195 475 D C 0.588 177.013 176.300 0.208 0.000 1.286 475 D CA -0.609 53.460 54.000 0.115 0.000 0.854 475 D CB -0.082 40.783 40.800 0.109 0.000 1.723 475 D HN 0.617 nan 8.370 nan 0.000 0.550 476 W N 4.243 125.637 121.300 0.157 0.000 2.335 476 W HA -0.180 4.479 4.660 -0.002 0.000 0.311 476 W C 0.576 177.143 176.519 0.078 0.000 1.213 476 W CA 1.517 58.974 57.345 0.186 0.000 1.274 476 W CB 0.139 29.727 29.460 0.213 0.000 1.148 476 W HN 0.482 nan 8.180 nan 0.000 0.498 477 D N 0.003 120.326 120.400 -0.128 0.000 2.149 477 D HA -0.194 4.445 4.640 -0.002 0.000 0.198 477 D C 2.188 178.294 176.300 -0.323 0.000 0.990 477 D CA 2.889 56.726 54.000 -0.272 0.000 0.839 477 D CB -0.602 40.170 40.800 -0.047 0.000 0.948 477 D HN 0.317 nan 8.370 nan 0.000 0.460 478 T N -2.278 112.155 114.554 -0.202 0.000 3.035 478 T HA -0.103 4.246 4.350 -0.002 0.000 0.259 478 T C 2.022 176.564 174.700 -0.263 0.000 1.078 478 T CA 0.203 62.189 62.100 -0.189 0.000 1.132 478 T CB -0.549 68.270 68.868 -0.080 0.000 0.900 478 T HN 0.096 nan 8.240 nan 0.000 0.480 479 Y N 3.819 123.876 120.300 -0.405 0.000 2.200 479 Y HA -0.060 4.489 4.550 -0.002 0.000 0.290 479 Y C 2.379 177.877 175.900 -0.669 0.000 1.137 479 Y CA 1.770 59.564 58.100 -0.510 0.000 1.163 479 Y CB -0.335 37.693 38.460 -0.720 0.000 0.988 479 Y HN 0.300 nan 8.280 nan 0.000 0.518 480 K N -0.796 118.932 120.400 -1.120 0.000 2.281 480 K HA -0.115 4.204 4.320 -0.002 0.000 0.203 480 K C 1.687 177.779 176.600 -0.847 0.000 1.046 480 K CA 1.739 57.286 56.287 -1.233 0.000 0.938 480 K CB -0.801 30.788 32.500 -1.518 0.000 0.737 480 K HN 0.291 nan 8.250 nan 0.000 0.458 481 V N 1.644 121.172 119.914 -0.644 0.000 2.453 481 V HA -0.118 4.001 4.120 -0.002 0.000 0.247 481 V C 2.426 178.256 176.094 -0.440 0.000 1.048 481 V CA 1.533 63.561 62.300 -0.453 0.000 1.049 481 V CB -0.484 31.149 31.823 -0.316 0.000 0.672 481 V HN 0.356 nan 8.190 nan 0.000 0.457 482 R N -0.553 119.648 120.500 -0.499 0.000 2.090 482 R HA -0.076 4.263 4.340 -0.002 0.000 0.228 482 R C 2.206 178.186 176.300 -0.533 0.000 1.110 482 R CA 1.146 56.983 56.100 -0.438 0.000 0.973 482 R CB -0.408 29.671 30.300 -0.368 0.000 0.869 482 R HN 0.356 nan 8.270 nan 0.000 0.440 483 L N 0.815 121.567 121.223 -0.784 0.000 2.027 483 L HA -0.022 4.317 4.340 -0.002 0.000 0.206 483 L C 2.259 178.834 176.870 -0.491 0.000 1.074 483 L CA 1.807 56.255 54.840 -0.653 0.000 0.745 483 L CB -0.645 40.944 42.059 -0.785 0.000 0.898 483 L HN 0.097 nan 8.230 nan 0.000 0.433 484 A N -0.338 122.124 122.820 -0.596 0.000 1.986 484 A HA -0.178 4.141 4.320 -0.002 0.000 0.220 484 A C 2.390 179.884 177.584 -0.150 0.000 1.171 484 A CA 1.776 53.538 52.037 -0.459 0.000 0.640 484 A CB -1.159 17.550 19.000 -0.484 0.000 0.811 484 A HN 0.577 nan 8.150 nan 0.000 0.451 485 A N -1.181 121.496 122.820 -0.237 0.000 2.121 485 A HA -0.105 4.214 4.320 -0.002 0.000 0.218 485 A C 1.941 179.416 177.584 -0.181 0.000 1.154 485 A CA 1.378 53.322 52.037 -0.155 0.000 0.679 485 A CB -0.299 18.600 19.000 -0.168 0.000 0.795 485 A HN 0.524 nan 8.150 nan 0.000 0.458 486 Q N -0.426 119.109 119.800 -0.441 0.000 2.311 486 Q HA 0.032 4.371 4.340 -0.002 0.000 0.203 486 Q C 2.284 177.757 176.000 -0.877 0.000 0.954 486 Q CA 1.045 56.325 55.803 -0.871 0.000 0.885 486 Q CB -0.805 26.957 28.738 -1.628 0.000 0.963 486 Q HN 0.648 nan 8.270 nan 0.000 0.471 487 A N 2.808 125.348 122.820 -0.466 0.000 1.881 487 A HA -0.198 4.121 4.320 -0.002 0.000 0.219 487 A C -0.229 177.302 177.584 -0.090 0.000 1.215 487 A CA 2.082 53.966 52.037 -0.255 0.000 0.648 487 A CB -1.763 17.335 19.000 0.163 0.000 0.832 487 A HN 0.322 nan 8.150 nan 0.000 0.455 488 P HA -0.153 nan 4.420 nan 0.000 0.220 488 P C 0.918 178.148 177.300 -0.116 0.000 1.148 488 P CA 1.303 64.362 63.100 -0.069 0.000 0.803 488 P CB -0.246 31.375 31.700 -0.131 0.000 0.782 489 Y N -1.390 118.791 120.300 -0.198 0.000 2.184 489 Y HA -0.102 4.447 4.550 -0.002 0.000 0.290 489 Y C 2.688 178.574 175.900 -0.023 0.000 1.129 489 Y CA 1.082 59.093 58.100 -0.149 0.000 1.144 489 Y CB -1.277 37.035 38.460 -0.248 0.000 0.995 489 Y HN -0.073 nan 8.280 nan 0.000 0.513 490 W N 0.765 122.076 121.300 0.019 0.000 2.363 490 W HA -0.109 4.549 4.660 -0.002 0.000 0.296 490 W C 2.144 178.655 176.519 -0.013 0.000 1.212 490 W CA 1.059 58.341 57.345 -0.104 0.000 1.260 490 W CB -1.134 28.106 29.460 -0.367 0.000 1.131 490 W HN 0.259 nan 8.180 nan 0.000 0.530 491 E N 0.102 120.451 120.200 0.249 0.000 2.051 491 E HA -0.147 4.201 4.350 -0.002 0.000 0.192 491 E C 2.351 179.008 176.600 0.096 0.000 0.991 491 E CA 1.618 58.127 56.400 0.181 0.000 0.799 491 E CB -0.431 29.351 29.700 0.137 0.000 0.748 491 E HN 0.103 nan 8.360 nan 0.000 0.449 492 A N 0.979 123.833 122.820 0.057 0.000 2.015 492 A HA 0.004 4.323 4.320 -0.002 0.000 0.219 492 A C 2.219 179.830 177.584 0.043 0.000 1.163 492 A CA 1.411 53.461 52.037 0.023 0.000 0.646 492 A CB -0.269 18.713 19.000 -0.029 0.000 0.806 492 A HN 0.270 nan 8.150 nan 0.000 0.448 493 A N -1.800 121.068 122.820 0.080 0.000 2.178 493 A HA 0.421 4.740 4.320 -0.002 0.000 0.211 493 A C 1.708 179.323 177.584 0.051 0.000 1.157 493 A CA 1.136 53.215 52.037 0.070 0.000 0.780 493 A CB -0.748 18.315 19.000 0.106 0.000 0.828 493 A HN 1.846 nan 8.150 nan 0.000 0.476 494 G N -0.517 108.321 108.800 0.063 0.000 2.182 494 G HA2 -0.202 3.757 3.960 -0.002 0.000 0.248 494 G HA3 -0.202 3.757 3.960 -0.002 0.000 0.248 494 G C -0.054 174.865 174.900 0.031 0.000 1.042 494 G CA 0.240 45.369 45.100 0.048 0.000 0.775 494 G HN 0.479 nan 8.290 nan 0.000 0.501 495 I N 1.119 121.704 120.570 0.025 0.000 2.291 495 I HA 0.228 4.397 4.170 -0.002 0.000 0.290 495 I C 0.256 176.381 176.117 0.013 0.000 1.050 495 I CA -0.755 60.477 61.300 -0.114 0.000 1.245 495 I CB 0.994 38.729 38.000 -0.442 0.000 1.405 495 I HN 0.066 nan 8.210 nan 0.000 0.478 496 D N 7.253 127.682 120.400 0.048 0.000 2.382 496 D HA 0.377 5.016 4.640 -0.002 0.000 0.245 496 D C -0.858 175.572 176.300 0.216 0.000 1.120 496 D CA 0.487 54.572 54.000 0.141 0.000 0.890 496 D CB 0.605 41.486 40.800 0.134 0.000 1.201 496 D HN 0.267 nan 8.370 nan 0.000 0.433 497 F N 1.275 121.231 119.950 0.010 0.000 2.668 497 F HA 0.355 4.881 4.527 -0.002 0.000 0.309 497 F C -1.730 174.033 175.800 -0.061 0.000 1.117 497 F CA -1.590 56.376 58.000 -0.056 0.000 0.951 497 F CB 0.472 39.353 39.000 -0.199 0.000 1.323 497 F HN 0.211 nan 8.300 nan 0.000 0.451 498 Y N 2.952 123.030 120.300 -0.371 0.000 2.480 498 Y HA 0.460 5.009 4.550 -0.002 0.000 0.341 498 Y C 0.269 175.972 175.900 -0.327 0.000 1.031 498 Y CA -0.692 57.065 58.100 -0.571 0.000 1.295 498 Y CB 0.747 38.522 38.460 -1.141 0.000 1.162 498 Y HN 0.668 nan 8.280 nan 0.000 0.523 499 R N 4.916 124.917 120.500 -0.833 0.000 3.268 499 R HA 0.088 4.427 4.340 -0.002 0.000 0.217 499 R C 0.377 176.389 176.300 -0.480 0.000 1.568 499 R CA -0.135 55.517 56.100 -0.746 0.000 1.322 499 R CB -0.100 29.749 30.300 -0.751 0.000 1.280 499 R HN 0.667 nan 8.270 nan 0.000 0.667 500 S N 2.630 118.086 115.700 -0.407 0.000 2.552 500 S HA 0.044 4.513 4.470 -0.002 0.000 0.289 500 S C -0.960 173.708 174.600 0.113 0.000 1.304 500 S CA -1.251 56.733 58.200 -0.360 0.000 1.063 500 S CB 0.658 63.922 63.200 0.107 0.000 0.848 500 S HN 0.391 nan 8.310 nan 0.000 0.499 501 P HA -0.047 nan 4.420 nan 0.000 0.237 501 P C 0.468 177.829 177.300 0.102 0.000 1.178 501 P CA 0.785 63.946 63.100 0.101 0.000 0.766 501 P CB 0.053 31.809 31.700 0.092 0.000 0.876 502 Q N -0.517 119.367 119.800 0.141 0.000 2.432 502 Q HA 0.102 4.441 4.340 -0.002 0.000 0.205 502 Q C 0.335 176.425 176.000 0.149 0.000 0.945 502 Q CA 0.390 56.318 55.803 0.209 0.000 0.924 502 Q CB 0.325 29.242 28.738 0.300 0.000 1.016 502 Q HN 0.140 nan 8.270 nan 0.000 0.503 503 V N 3.025 122.866 119.914 -0.122 0.000 2.459 503 V HA 0.213 4.332 4.120 -0.002 0.000 0.295 503 V C -2.160 173.500 176.094 -0.722 0.000 1.029 503 V CA -1.800 60.141 62.300 -0.599 0.000 0.874 503 V CB 1.676 32.762 31.823 -1.228 0.000 0.985 503 V HN 0.027 nan 8.190 nan 0.000 0.438 504 P HA 0.078 nan 4.420 nan 0.000 0.220 504 P C -0.315 176.832 177.300 -0.255 0.000 1.806 504 P CA -0.502 62.417 63.100 -0.302 0.000 0.976 504 P CB -0.306 31.257 31.700 -0.228 0.000 1.952 505 W N 1.037 122.322 121.300 -0.026 0.000 2.560 505 W HA -0.074 4.585 4.660 -0.002 0.000 0.335 505 W C 1.121 177.624 176.519 -0.027 0.000 1.147 505 W CA 0.135 57.474 57.345 -0.009 0.000 1.277 505 W CB -0.467 29.036 29.460 0.071 0.000 1.152 505 W HN 0.107 nan 8.180 nan 0.000 0.561 506 T N 0.000 114.678 114.554 0.206 0.000 3.816 506 T HA 0.000 4.349 4.350 -0.002 0.000 0.228 506 T CA 0.000 62.155 62.100 0.091 0.000 1.349 506 T CB 0.000 68.883 68.868 0.026 0.000 0.612 506 T HN 0.000 nan 8.240 nan 0.000 0.658