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 2c77_1_A DATA FIRST_RESID 2 DATA SEQUENCE KGEFIRTKPH VNVGTIGHVD HGKTTLTAAL TYVTAAENPN VEVKDYGDID DATA SEQUENCE KAPEERARGI TINTAHVEYE TAKRHYSHVD CPGHADYIKN MITGAAQMDG DATA SEQUENCE AILVVSAADG PMPQTREHIL LARQVGVPYI VVFMNKVDMV DDPELLDLVE DATA SEQUENCE MEVRDLLNQY EFPGDEVPVI RGSALLALEQ MHRNPKTRRG ENEWVDKIWE DATA SEQUENCE LLDAIDEYIP TPVRDVDKPF LMPVEDVFTI TGRGTVATGR IERGKVKVGD DATA SEQUENCE EVEIVGLAPE TRKTVVTGVE MHRKTLQEGI AGDNVGVLLR GVSREEVERG DATA SEQUENCE QVLAKPGSIT PHTKFEASVY VLKKEEGGRH TGFFSGYRPQ FYFRTTDVTG DATA SEQUENCE VVQLPPGVEM VMPGDNVTFT VELIKPVALE EGLRFAIREG GRTVGAGVVT DATA SEQUENCE KILE 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 2 K HA 0.000 nan 4.320 nan 0.000 0.191 2 K C 0.000 176.696 176.600 0.161 0.000 0.988 2 K CA 0.000 56.411 56.287 0.206 0.000 0.838 2 K CB 0.000 32.669 32.500 0.281 0.000 1.064 3 G N 2.293 111.129 108.800 0.059 0.000 2.501 3 G HA2 -0.261 3.696 3.960 -0.005 0.000 0.220 3 G HA3 -0.261 3.696 3.960 -0.005 0.000 0.220 3 G C 0.714 175.596 174.900 -0.030 0.000 1.114 3 G CA 1.138 46.253 45.100 0.025 0.000 0.757 3 G HN 0.786 nan 8.290 nan 0.000 0.559 4 E N -0.752 119.363 120.200 -0.141 0.000 2.358 4 E HA 0.054 4.401 4.350 -0.005 0.000 0.195 4 E C -0.206 176.191 176.600 -0.339 0.000 1.010 4 E CA -0.173 56.052 56.400 -0.292 0.000 0.856 4 E CB -0.128 29.298 29.700 -0.457 0.000 0.795 4 E HN 0.327 nan 8.360 nan 0.000 0.504 5 F N 1.396 121.349 119.950 0.006 0.000 2.404 5 F HA 0.410 4.933 4.527 -0.005 0.000 0.339 5 F C 0.314 176.119 175.800 0.009 0.000 1.105 5 F CA -1.068 56.936 58.000 0.007 0.000 1.087 5 F CB 1.105 40.108 39.000 0.006 0.000 1.143 5 F HN -0.128 nan 8.300 nan 0.000 0.491 6 I N 4.783 125.472 120.570 0.198 0.000 2.297 6 I HA 0.410 4.577 4.170 -0.005 0.000 0.291 6 I C -0.187 175.996 176.117 0.110 0.000 1.033 6 I CA -0.311 61.059 61.300 0.117 0.000 1.253 6 I CB 0.651 38.697 38.000 0.077 0.000 1.396 6 I HN 0.585 nan 8.210 nan 0.000 0.476 7 R N 3.199 123.754 120.500 0.091 0.000 2.854 7 R HA 0.615 4.952 4.340 -0.005 0.000 0.271 7 R C -0.628 175.707 176.300 0.058 0.000 0.994 7 R CA -0.810 55.327 56.100 0.062 0.000 0.945 7 R CB 2.363 32.687 30.300 0.040 0.000 1.194 7 R HN 0.577 nan 8.270 nan 0.000 0.476 8 T N -1.272 113.313 114.554 0.052 0.000 3.064 8 T HA 0.257 4.604 4.350 -0.005 0.000 0.367 8 T C -0.290 174.455 174.700 0.076 0.000 1.202 8 T CA -0.936 61.207 62.100 0.073 0.000 1.133 8 T CB 0.618 69.526 68.868 0.067 0.000 1.074 8 T HN 0.440 nan 8.240 nan 0.000 0.519 9 K N 4.915 125.363 120.400 0.080 0.000 2.437 9 K HA 0.084 4.401 4.320 -0.005 0.000 0.277 9 K C -1.790 174.861 176.600 0.084 0.000 1.073 9 K CA -1.121 55.181 56.287 0.025 0.000 1.105 9 K CB 0.333 32.806 32.500 -0.045 0.000 0.881 9 K HN 0.405 nan 8.250 nan 0.000 0.475 10 P HA 0.017 nan 4.420 nan 0.000 0.270 10 P C -1.086 176.193 177.300 -0.036 0.000 1.223 10 P CA 0.033 63.162 63.100 0.048 0.000 0.785 10 P CB 0.637 32.331 31.700 -0.009 0.000 0.923 11 H N -0.825 118.234 119.070 -0.020 0.000 2.495 11 H HA 0.585 5.138 4.556 -0.004 0.000 0.348 11 H C -0.362 174.925 175.328 -0.068 0.000 1.113 11 H CA -0.701 55.319 56.048 -0.046 0.000 1.195 11 H CB 1.597 31.341 29.762 -0.030 0.000 1.521 11 H HN 0.034 nan 8.280 nan 0.000 0.509 12 V N 2.754 122.662 119.914 -0.010 0.000 2.888 12 V HA 0.265 4.382 4.120 -0.005 0.000 0.309 12 V C -0.556 175.617 176.094 0.132 0.000 1.114 12 V CA -1.116 61.218 62.300 0.055 0.000 0.940 12 V CB 2.252 34.110 31.823 0.059 0.000 1.021 12 V HN 0.737 nan 8.190 nan 0.000 0.426 13 N N 2.168 120.951 118.700 0.140 0.000 2.426 13 N HA 0.691 5.428 4.740 -0.005 0.000 0.275 13 N C -0.303 175.287 175.510 0.132 0.000 1.019 13 N CA -0.188 52.944 53.050 0.136 0.000 0.941 13 N CB 1.897 40.451 38.487 0.111 0.000 1.123 13 N HN 0.689 nan 8.380 nan 0.000 0.486 14 V N -1.007 118.961 119.914 0.091 0.000 3.139 14 V HA 1.079 5.196 4.120 -0.005 0.000 0.310 14 V C 0.396 176.367 176.094 -0.205 0.000 1.260 14 V CA -0.808 61.489 62.300 -0.006 0.000 1.064 14 V CB 1.507 33.332 31.823 0.003 0.000 1.160 14 V HN 0.652 nan 8.190 nan 0.000 0.470 15 G N -0.442 108.131 108.800 -0.379 0.000 2.451 15 G HA2 0.616 4.574 3.960 -0.005 0.000 0.292 15 G HA3 0.616 4.574 3.960 -0.005 0.000 0.292 15 G C -0.945 173.713 174.900 -0.404 0.000 1.427 15 G CA 0.027 44.776 45.100 -0.586 0.000 0.792 15 G HN 1.458 nan 8.290 nan 0.000 0.498 16 T N -0.718 113.696 114.554 -0.232 0.000 2.807 16 T HA 0.727 5.074 4.350 -0.005 0.000 0.279 16 T C 0.158 174.865 174.700 0.010 0.000 0.993 16 T CA -0.515 61.571 62.100 -0.024 0.000 0.970 16 T CB 1.318 70.260 68.868 0.123 0.000 0.950 16 T HN 1.214 nan 8.240 nan 0.000 0.441 17 I N -1.051 119.550 120.570 0.052 0.000 3.145 17 I HA 0.996 5.163 4.170 -0.005 0.000 0.313 17 I C 0.053 176.303 176.117 0.222 0.000 1.122 17 I CA -1.198 60.190 61.300 0.146 0.000 0.987 17 I CB 2.059 40.103 38.000 0.074 0.000 1.236 17 I HN 1.094 nan 8.210 nan 0.000 0.453 18 G N 0.679 109.703 108.800 0.372 0.000 2.339 18 G HA2 0.109 4.066 3.960 -0.005 0.000 0.381 18 G HA3 0.109 4.066 3.960 -0.005 0.000 0.381 18 G C -1.620 173.170 174.900 -0.183 0.000 1.400 18 G CA -0.898 44.238 45.100 0.060 0.000 1.002 18 G HN 1.178 nan 8.290 nan 0.000 0.633 19 H N -0.851 117.959 119.070 -0.433 0.000 2.836 19 H HA 0.392 4.945 4.556 -0.005 0.000 0.368 19 H C 1.180 176.287 175.328 -0.370 0.000 1.164 19 H CA 1.006 56.719 56.048 -0.559 0.000 1.425 19 H CB 1.171 30.398 29.762 -0.892 0.000 1.414 19 H HN 0.869 nan 8.280 nan 0.000 0.614 20 V N 4.205 123.717 119.914 -0.670 0.000 2.694 20 V HA -0.089 4.028 4.120 -0.005 0.000 0.306 20 V C 0.211 176.294 176.094 -0.019 0.000 1.054 20 V CA 1.099 63.232 62.300 -0.278 0.000 1.161 20 V CB -0.017 31.653 31.823 -0.255 0.000 0.916 20 V HN 1.159 nan 8.190 nan 0.000 0.490 21 D N 2.792 123.219 120.400 0.044 0.000 3.046 21 D HA -0.221 4.416 4.640 -0.005 0.000 0.210 21 D C 0.957 177.408 176.300 0.251 0.000 1.124 21 D CA 1.741 55.820 54.000 0.132 0.000 0.986 21 D CB -1.229 39.639 40.800 0.114 0.000 1.118 21 D HN 0.966 nan 8.370 nan 0.000 0.416 22 H N -0.424 118.694 119.070 0.079 0.000 2.546 22 H HA 0.157 4.710 4.556 -0.005 0.000 0.277 22 H C 1.880 177.257 175.328 0.082 0.000 1.004 22 H CA 0.908 57.008 56.048 0.086 0.000 1.231 22 H CB 0.422 30.247 29.762 0.104 0.000 1.382 22 H HN 0.405 nan 8.280 nan 0.000 0.580 23 G N 0.644 109.556 108.800 0.188 0.000 2.151 23 G HA2 -0.193 3.764 3.960 -0.005 0.000 0.140 23 G HA3 -0.193 3.764 3.960 -0.005 0.000 0.140 23 G C 0.908 175.875 174.900 0.111 0.000 1.020 23 G CA 0.046 45.226 45.100 0.133 0.000 0.688 23 G HN 0.259 nan 8.290 nan 0.000 0.500 24 K N -0.159 120.308 120.400 0.112 0.000 2.032 24 K HA -0.083 4.234 4.320 -0.005 0.000 0.209 24 K C 2.508 179.134 176.600 0.044 0.000 1.048 24 K CA 1.992 58.329 56.287 0.083 0.000 0.927 24 K CB -0.248 32.305 32.500 0.087 0.000 0.712 24 K HN 0.318 nan 8.250 nan 0.000 0.441 25 T N 0.533 115.106 114.554 0.032 0.000 2.857 25 T HA -0.082 4.265 4.350 -0.005 0.000 0.266 25 T C 1.927 176.645 174.700 0.029 0.000 1.048 25 T CA 1.552 63.623 62.100 -0.048 0.000 1.139 25 T CB -0.273 68.460 68.868 -0.226 0.000 0.874 25 T HN 0.261 nan 8.240 nan 0.000 0.455 26 T N 2.525 117.178 114.554 0.165 0.000 2.746 26 T HA -0.035 4.312 4.350 -0.005 0.000 0.267 26 T C 1.869 176.553 174.700 -0.026 0.000 1.039 26 T CA 0.783 62.970 62.100 0.145 0.000 1.142 26 T CB -0.414 68.505 68.868 0.086 0.000 0.866 26 T HN 0.112 nan 8.240 nan 0.000 0.444 27 L N 1.112 122.290 121.223 -0.076 0.000 2.056 27 L HA -0.037 4.300 4.340 -0.005 0.000 0.207 27 L C 2.466 179.192 176.870 -0.239 0.000 1.078 27 L CA 1.782 56.493 54.840 -0.216 0.000 0.749 27 L CB -1.214 40.687 42.059 -0.264 0.000 0.901 27 L HN 0.161 nan 8.230 nan 0.000 0.433 28 T N -0.044 114.401 114.554 -0.181 0.000 2.684 28 T HA -0.181 4.166 4.350 -0.005 0.000 0.267 28 T C 1.916 176.463 174.700 -0.255 0.000 1.036 28 T CA 1.459 63.373 62.100 -0.310 0.000 1.148 28 T CB -0.578 68.135 68.868 -0.258 0.000 0.863 28 T HN 0.529 nan 8.240 nan 0.000 0.436 29 A N 1.558 124.306 122.820 -0.120 0.000 1.877 29 A HA 0.118 4.435 4.320 -0.005 0.000 0.216 29 A C 2.682 180.261 177.584 -0.008 0.000 1.186 29 A CA 1.961 53.994 52.037 -0.007 0.000 0.620 29 A CB -1.238 17.817 19.000 0.092 0.000 0.822 29 A HN 0.512 nan 8.150 nan 0.000 0.443 30 A N -0.337 122.410 122.820 -0.122 0.000 1.908 30 A HA -0.100 4.217 4.320 -0.005 0.000 0.218 30 A C 2.185 179.617 177.584 -0.254 0.000 1.181 30 A CA 1.616 53.545 52.037 -0.179 0.000 0.627 30 A CB -0.673 18.185 19.000 -0.236 0.000 0.818 30 A HN 0.485 nan 8.150 nan 0.000 0.445 31 L N -0.121 120.863 121.223 -0.398 0.000 2.042 31 L HA -0.209 4.128 4.340 -0.005 0.000 0.210 31 L C 3.092 179.598 176.870 -0.607 0.000 1.076 31 L CA 1.967 56.422 54.840 -0.642 0.000 0.749 31 L CB -0.863 40.652 42.059 -0.907 0.000 0.893 31 L HN 0.700 nan 8.230 nan 0.000 0.432 32 T N -3.506 110.816 114.554 -0.386 0.000 2.777 32 T HA -0.234 4.114 4.350 -0.005 0.000 0.266 32 T C 1.782 176.377 174.700 -0.175 0.000 1.040 32 T CA 1.140 63.106 62.100 -0.223 0.000 1.141 32 T CB -0.649 68.138 68.868 -0.134 0.000 0.868 32 T HN 0.213 nan 8.240 nan 0.000 0.444 33 Y N 1.319 121.517 120.300 -0.170 0.000 2.163 33 Y HA 0.012 4.559 4.550 -0.004 0.000 0.288 33 Y C 2.924 178.749 175.900 -0.124 0.000 1.136 33 Y CA 1.061 59.095 58.100 -0.110 0.000 1.147 33 Y CB -0.564 37.828 38.460 -0.113 0.000 0.987 33 Y HN 0.042 nan 8.280 nan 0.000 0.509 34 V N -0.265 119.608 119.914 -0.068 0.000 2.295 34 V HA -0.337 3.780 4.120 -0.005 0.000 0.246 34 V C 2.420 178.400 176.094 -0.190 0.000 1.049 34 V CA 2.466 64.647 62.300 -0.200 0.000 1.024 34 V CB -1.340 30.169 31.823 -0.523 0.000 0.648 34 V HN 0.646 nan 8.190 nan 0.000 0.447 35 T N -0.991 113.392 114.554 -0.285 0.000 2.821 35 T HA -0.101 4.246 4.350 -0.005 0.000 0.267 35 T C 1.914 176.666 174.700 0.086 0.000 1.046 35 T CA 1.348 63.390 62.100 -0.096 0.000 1.139 35 T CB -0.486 68.331 68.868 -0.086 0.000 0.871 35 T HN 0.465 nan 8.240 nan 0.000 0.454 36 A N 1.742 124.579 122.820 0.028 0.000 2.019 36 A HA 0.393 4.710 4.320 -0.005 0.000 0.219 36 A C 2.726 180.363 177.584 0.088 0.000 1.164 36 A CA 1.528 53.590 52.037 0.042 0.000 0.644 36 A CB -1.210 17.764 19.000 -0.043 0.000 0.805 36 A HN 0.738 nan 8.150 nan 0.000 0.449 37 A N -0.876 122.022 122.820 0.129 0.000 2.067 37 A HA -0.032 4.285 4.320 -0.005 0.000 0.219 37 A C 1.904 179.588 177.584 0.167 0.000 1.158 37 A CA 1.950 54.078 52.037 0.153 0.000 0.661 37 A CB -0.210 18.902 19.000 0.187 0.000 0.801 37 A HN 0.477 nan 8.150 nan 0.000 0.452 38 E N -0.507 119.827 120.200 0.223 0.000 2.340 38 E HA 0.073 4.420 4.350 -0.005 0.000 0.198 38 E C 0.018 176.701 176.600 0.139 0.000 0.961 38 E CA 0.086 56.603 56.400 0.194 0.000 0.905 38 E CB 0.233 30.116 29.700 0.304 0.000 0.884 38 E HN 0.433 nan 8.360 nan 0.000 0.491 39 N N 0.019 118.804 118.700 0.142 0.000 2.504 39 N HA 0.195 4.932 4.740 -0.005 0.000 0.280 39 N C -2.433 173.127 175.510 0.083 0.000 1.052 39 N CA -1.850 51.262 53.050 0.104 0.000 0.887 39 N CB 1.826 40.383 38.487 0.115 0.000 1.323 39 N HN -0.192 nan 8.380 nan 0.000 0.509 40 P HA -0.027 nan 4.420 nan 0.000 0.223 40 P C 0.660 177.990 177.300 0.049 0.000 1.144 40 P CA 0.869 64.000 63.100 0.051 0.000 0.783 40 P CB 0.399 32.125 31.700 0.044 0.000 0.771 41 N N -0.964 117.774 118.700 0.063 0.000 2.457 41 N HA -0.012 4.725 4.740 -0.005 0.000 0.180 41 N C 0.225 175.776 175.510 0.067 0.000 1.050 41 N CA 0.470 53.560 53.050 0.068 0.000 0.906 41 N CB -0.070 38.472 38.487 0.092 0.000 0.968 41 N HN 0.082 nan 8.380 nan 0.000 0.445 42 V N 2.008 121.964 119.914 0.069 0.000 2.530 42 V HA 0.097 4.214 4.120 -0.005 0.000 0.282 42 V C 0.504 176.603 176.094 0.010 0.000 1.048 42 V CA -0.392 61.946 62.300 0.064 0.000 0.997 42 V CB 1.338 33.212 31.823 0.086 0.000 0.987 42 V HN 0.043 nan 8.190 nan 0.000 0.477 43 E N 2.666 122.863 120.200 -0.005 0.000 2.174 43 E HA 0.385 4.732 4.350 -0.005 0.000 0.282 43 E C -0.359 176.167 176.600 -0.123 0.000 0.992 43 E CA -0.542 55.826 56.400 -0.053 0.000 0.803 43 E CB 2.022 31.701 29.700 -0.034 0.000 1.090 43 E HN 0.674 nan 8.360 nan 0.000 0.396 44 V N 1.301 121.071 119.914 -0.240 0.000 2.811 44 V HA 0.307 4.424 4.120 -0.005 0.000 0.302 44 V C -0.277 175.631 176.094 -0.309 0.000 1.063 44 V CA -0.299 61.707 62.300 -0.489 0.000 1.088 44 V CB 0.825 32.035 31.823 -1.021 0.000 0.982 44 V HN 0.470 nan 8.190 nan 0.000 0.485 45 K N 2.927 123.182 120.400 -0.241 0.000 2.507 45 K HA 0.487 4.804 4.320 -0.005 0.000 0.252 45 K C -1.132 175.541 176.600 0.122 0.000 0.943 45 K CA -0.446 55.813 56.287 -0.047 0.000 0.808 45 K CB 1.787 34.267 32.500 -0.035 0.000 1.142 45 K HN 0.865 nan 8.250 nan 0.000 0.426 46 D N 0.722 121.240 120.400 0.197 0.000 2.354 46 D HA 0.024 4.661 4.640 -0.005 0.000 0.247 46 D C 1.279 177.708 176.300 0.216 0.000 1.138 46 D CA -0.274 53.923 54.000 0.329 0.000 0.958 46 D CB 0.493 41.458 40.800 0.274 0.000 1.144 46 D HN 0.440 nan 8.370 nan 0.000 0.458 47 Y N 0.975 121.343 120.300 0.115 0.000 2.114 47 Y HA -0.216 4.332 4.550 -0.005 0.000 0.282 47 Y C 2.177 178.094 175.900 0.028 0.000 1.165 47 Y CA 2.446 60.574 58.100 0.047 0.000 1.148 47 Y CB -0.319 38.163 38.460 0.036 0.000 0.972 47 Y HN 0.479 nan 8.280 nan 0.000 0.504 48 G N -0.763 108.173 108.800 0.226 0.000 2.471 48 G HA2 -0.208 3.749 3.960 -0.005 0.000 0.219 48 G HA3 -0.208 3.749 3.960 -0.005 0.000 0.219 48 G C 1.199 176.109 174.900 0.017 0.000 1.125 48 G CA 0.991 46.158 45.100 0.110 0.000 0.775 48 G HN 0.414 nan 8.290 nan 0.000 0.548 49 D N 0.351 120.765 120.400 0.023 0.000 2.224 49 D HA 0.004 4.641 4.640 -0.005 0.000 0.205 49 D C 2.395 178.670 176.300 -0.042 0.000 0.965 49 D CA 0.364 54.363 54.000 -0.001 0.000 0.852 49 D CB 0.212 41.022 40.800 0.016 0.000 0.947 49 D HN 0.401 nan 8.370 nan 0.000 0.494 50 I N 0.410 120.925 120.570 -0.091 0.000 2.364 50 I HA -0.095 4.072 4.170 -0.005 0.000 0.241 50 I C 0.374 176.388 176.117 -0.171 0.000 1.082 50 I CA 0.538 61.757 61.300 -0.136 0.000 1.401 50 I CB 0.157 38.046 38.000 -0.186 0.000 1.126 50 I HN -0.289 nan 8.210 nan 0.000 0.429 51 D N 2.118 122.359 120.400 -0.266 0.000 2.619 51 D HA 0.036 4.673 4.640 -0.005 0.000 0.224 51 D C 1.086 177.314 176.300 -0.119 0.000 1.133 51 D CA 0.133 53.998 54.000 -0.227 0.000 1.017 51 D CB 0.294 40.894 40.800 -0.334 0.000 1.077 51 D HN 0.425 nan 8.370 nan 0.000 0.503 52 K N -0.300 120.049 120.400 -0.084 0.000 2.361 52 K HA 0.225 4.542 4.320 -0.005 0.000 0.196 52 K C 0.862 177.442 176.600 -0.034 0.000 1.039 52 K CA -0.218 56.042 56.287 -0.044 0.000 1.001 52 K CB 0.484 32.963 32.500 -0.034 0.000 0.795 52 K HN 0.084 nan 8.250 nan 0.000 0.495 53 A N 2.781 125.573 122.820 -0.046 0.000 2.445 53 A HA 0.201 4.519 4.320 -0.005 0.000 0.242 53 A C -1.671 175.897 177.584 -0.026 0.000 1.075 53 A CA -1.278 50.736 52.037 -0.038 0.000 0.777 53 A CB 0.240 19.208 19.000 -0.054 0.000 1.013 53 A HN 0.037 nan 8.150 nan 0.000 0.493 54 P HA -0.198 nan 4.420 nan 0.000 0.216 54 P C 1.315 178.613 177.300 -0.003 0.000 1.153 54 P CA 1.771 64.867 63.100 -0.005 0.000 0.858 54 P CB 0.228 31.927 31.700 -0.001 0.000 0.789 55 E N -0.203 119.991 120.200 -0.009 0.000 2.208 55 E HA -0.186 4.161 4.350 -0.005 0.000 0.193 55 E C 1.710 178.301 176.600 -0.015 0.000 0.988 55 E CA 0.827 57.225 56.400 -0.003 0.000 0.828 55 E CB -0.166 29.534 29.700 0.000 0.000 0.763 55 E HN 0.292 nan 8.360 nan 0.000 0.478 56 E N 0.156 120.332 120.200 -0.039 0.000 2.072 56 E HA -0.178 4.169 4.350 -0.005 0.000 0.191 56 E C 2.199 178.795 176.600 -0.006 0.000 0.985 56 E CA 0.707 57.077 56.400 -0.050 0.000 0.801 56 E CB -0.032 29.616 29.700 -0.085 0.000 0.750 56 E HN 0.111 nan 8.360 nan 0.000 0.452 57 R N 0.626 121.130 120.500 0.006 0.000 2.073 57 R HA -0.063 4.274 4.340 -0.005 0.000 0.229 57 R C 2.245 178.565 176.300 0.032 0.000 1.120 57 R CA 1.182 57.304 56.100 0.035 0.000 0.967 57 R CB -0.135 30.183 30.300 0.029 0.000 0.862 57 R HN 0.123 nan 8.270 nan 0.000 0.436 58 A N 0.704 123.536 122.820 0.021 0.000 1.933 58 A HA -0.130 4.187 4.320 -0.005 0.000 0.218 58 A C 1.945 179.545 177.584 0.025 0.000 1.175 58 A CA 1.346 53.396 52.037 0.022 0.000 0.628 58 A CB -0.241 18.771 19.000 0.020 0.000 0.814 58 A HN 0.322 nan 8.150 nan 0.000 0.444 59 R N -1.768 118.747 120.500 0.026 0.000 2.312 59 R HA 0.258 4.595 4.340 -0.005 0.000 0.205 59 R C 1.057 177.368 176.300 0.018 0.000 0.904 59 R CA 0.470 56.587 56.100 0.028 0.000 1.052 59 R CB 0.122 30.447 30.300 0.042 0.000 1.014 59 R HN 0.631 nan 8.270 nan 0.000 0.503 60 G N 2.566 111.385 108.800 0.031 0.000 2.246 60 G HA2 -0.261 3.696 3.960 -0.005 0.000 0.273 60 G HA3 -0.261 3.696 3.960 -0.005 0.000 0.273 60 G C 0.079 175.001 174.900 0.038 0.000 1.055 60 G CA 0.800 45.935 45.100 0.058 0.000 0.851 60 G HN 0.470 nan 8.290 nan 0.000 0.500 61 I N -4.386 116.180 120.570 -0.006 0.000 3.095 61 I HA 0.811 4.978 4.170 -0.005 0.000 0.310 61 I C -0.091 175.972 176.117 -0.089 0.000 1.196 61 I CA -1.267 59.996 61.300 -0.062 0.000 0.985 61 I CB 1.906 39.825 38.000 -0.135 0.000 1.250 61 I HN -0.057 nan 8.210 nan 0.000 0.446 62 T N 3.156 117.646 114.554 -0.106 0.000 2.845 62 T HA 0.552 4.899 4.350 -0.005 0.000 0.288 62 T C 0.742 175.313 174.700 -0.215 0.000 0.980 62 T CA -0.063 61.952 62.100 -0.142 0.000 1.071 62 T CB 1.526 70.330 68.868 -0.107 0.000 0.941 62 T HN 0.517 nan 8.240 nan 0.000 0.487 63 I N 1.244 121.627 120.570 -0.311 0.000 3.570 63 I HA 0.177 4.344 4.170 -0.005 0.000 0.270 63 I C 0.587 176.482 176.117 -0.370 0.000 1.162 63 I CA -0.121 60.804 61.300 -0.625 0.000 1.413 63 I CB 0.324 37.936 38.000 -0.645 0.000 1.437 63 I HN 0.463 nan 8.210 nan 0.000 0.457 64 N N 1.955 120.526 118.700 -0.215 0.000 2.487 64 N HA 0.218 4.955 4.740 -0.005 0.000 0.292 64 N C -0.293 175.163 175.510 -0.091 0.000 1.108 64 N CA -0.055 52.930 53.050 -0.109 0.000 0.956 64 N CB 1.224 39.669 38.487 -0.070 0.000 1.176 64 N HN 0.121 nan 8.380 nan 0.000 0.484 65 T N -1.519 112.998 114.554 -0.062 0.000 2.900 65 T HA 0.529 4.876 4.350 -0.005 0.000 0.307 65 T C 0.140 174.748 174.700 -0.154 0.000 1.065 65 T CA -0.738 61.288 62.100 -0.122 0.000 1.105 65 T CB 0.822 69.611 68.868 -0.132 0.000 0.979 65 T HN 0.535 nan 8.240 nan 0.000 0.544 66 A N 1.792 124.468 122.820 -0.239 0.000 2.380 66 A HA 0.713 5.030 4.320 -0.005 0.000 0.315 66 A C -1.093 176.300 177.584 -0.317 0.000 1.101 66 A CA -1.012 50.928 52.037 -0.162 0.000 0.771 66 A CB 0.988 19.929 19.000 -0.099 0.000 1.287 66 A HN 1.018 nan 8.150 nan 0.000 0.436 67 H N -0.771 118.318 119.070 0.030 0.000 2.589 67 H HA 0.583 5.136 4.556 -0.004 0.000 0.351 67 H C -0.280 175.069 175.328 0.035 0.000 1.074 67 H CA -0.466 55.615 56.048 0.054 0.000 1.203 67 H CB 1.910 31.694 29.762 0.037 0.000 1.558 67 H HN 0.727 nan 8.280 nan 0.000 0.522 68 V N -0.011 120.000 119.914 0.161 0.000 3.102 68 V HA 0.741 4.858 4.120 -0.005 0.000 0.312 68 V C -0.519 175.634 176.094 0.098 0.000 1.135 68 V CA -1.037 61.323 62.300 0.100 0.000 1.022 68 V CB 2.389 34.248 31.823 0.061 0.000 1.056 68 V HN 0.720 nan 8.190 nan 0.000 0.436 69 E N 1.321 121.566 120.200 0.075 0.000 2.222 69 E HA 0.772 5.119 4.350 -0.005 0.000 0.267 69 E C -1.472 175.197 176.600 0.115 0.000 0.884 69 E CA -0.449 55.967 56.400 0.026 0.000 0.764 69 E CB 1.931 31.652 29.700 0.035 0.000 1.169 69 E HN 0.911 nan 8.360 nan 0.000 0.413 70 Y N 0.447 120.827 120.300 0.133 0.000 2.705 70 Y HA 0.684 5.231 4.550 -0.004 0.000 0.332 70 Y C -1.212 174.805 175.900 0.195 0.000 1.221 70 Y CA -1.185 56.982 58.100 0.112 0.000 1.059 70 Y CB 1.005 39.487 38.460 0.037 0.000 1.298 70 Y HN 0.518 nan 8.280 nan 0.000 0.459 71 E N -0.181 120.256 120.200 0.395 0.000 2.412 71 E HA 0.622 4.969 4.350 -0.005 0.000 0.279 71 E C -1.463 175.320 176.600 0.304 0.000 0.984 71 E CA -1.001 55.565 56.400 0.277 0.000 0.788 71 E CB 2.595 32.305 29.700 0.016 0.000 1.277 71 E HN 0.870 nan 8.360 nan 0.000 0.455 72 T N -2.200 112.526 114.554 0.286 0.000 2.870 72 T HA 0.626 4.973 4.350 -0.005 0.000 0.277 72 T C 1.094 175.872 174.700 0.130 0.000 1.000 72 T CA -0.264 62.018 62.100 0.304 0.000 0.982 72 T CB 1.260 70.363 68.868 0.391 0.000 1.249 72 T HN 0.620 nan 8.240 nan 0.000 0.589 73 A N -0.342 122.549 122.820 0.118 0.000 2.121 73 A HA 0.067 4.384 4.320 -0.005 0.000 0.218 73 A C 2.176 179.750 177.584 -0.017 0.000 1.154 73 A CA 1.450 53.503 52.037 0.026 0.000 0.679 73 A CB -0.754 18.253 19.000 0.011 0.000 0.795 73 A HN 0.867 nan 8.150 nan 0.000 0.458 74 K N -1.118 119.288 120.400 0.010 0.000 2.214 74 K HA 0.104 4.421 4.320 -0.005 0.000 0.201 74 K C 0.175 176.701 176.600 -0.123 0.000 1.049 74 K CA 0.334 56.603 56.287 -0.029 0.000 0.978 74 K CB 0.268 32.788 32.500 0.033 0.000 0.842 74 K HN 0.453 nan 8.250 nan 0.000 0.474 75 R N -0.520 119.869 120.500 -0.186 0.000 2.764 75 R HA 0.344 4.681 4.340 -0.005 0.000 0.270 75 R C -1.142 174.783 176.300 -0.625 0.000 1.014 75 R CA -0.881 54.957 56.100 -0.437 0.000 0.904 75 R CB 1.006 30.982 30.300 -0.540 0.000 1.236 75 R HN 0.065 nan 8.270 nan 0.000 0.466 76 H N 0.740 119.439 119.070 -0.618 0.000 2.502 76 H HA 0.289 4.842 4.556 -0.004 0.000 0.327 76 H C -0.812 174.113 175.328 -0.671 0.000 1.099 76 H CA 0.140 55.857 56.048 -0.552 0.000 1.323 76 H CB 1.081 30.363 29.762 -0.801 0.000 1.450 76 H HN 0.433 nan 8.280 nan 0.000 0.502 77 Y N 0.348 120.585 120.300 -0.105 0.000 2.361 77 Y HA 0.181 4.728 4.550 -0.004 0.000 0.337 77 Y C 0.090 175.821 175.900 -0.283 0.000 0.965 77 Y CA -0.609 57.347 58.100 -0.240 0.000 1.091 77 Y CB 1.790 39.951 38.460 -0.499 0.000 1.182 77 Y HN 0.419 nan 8.280 nan 0.000 0.450 78 S N 2.238 117.967 115.700 0.049 0.000 2.437 78 S HA 0.271 4.738 4.470 -0.005 0.000 0.305 78 S C -1.275 173.394 174.600 0.115 0.000 1.109 78 S CA -0.640 57.605 58.200 0.076 0.000 1.099 78 S CB 0.287 63.569 63.200 0.136 0.000 1.004 78 S HN 0.688 nan 8.310 nan 0.000 0.475 79 H N 1.430 120.503 119.070 0.005 0.000 2.589 79 H HA 0.628 5.181 4.556 -0.005 0.000 0.335 79 H C -1.017 174.343 175.328 0.052 0.000 1.019 79 H CA -0.676 55.398 56.048 0.045 0.000 1.213 79 H CB 1.053 30.870 29.762 0.092 0.000 1.472 79 H HN 0.433 nan 8.280 nan 0.000 0.508 80 V N 5.243 125.174 119.914 0.028 0.000 2.347 80 V HA 0.193 4.310 4.120 -0.005 0.000 0.280 80 V C -0.745 175.310 176.094 -0.065 0.000 1.021 80 V CA -0.562 61.680 62.300 -0.096 0.000 0.847 80 V CB 1.169 32.915 31.823 -0.129 0.000 0.990 80 V HN 0.923 nan 8.190 nan 0.000 0.444 81 D N 6.310 126.714 120.400 0.006 0.000 2.347 81 D HA 0.348 4.985 4.640 -0.005 0.000 0.235 81 D C -0.271 175.993 176.300 -0.059 0.000 1.149 81 D CA 0.024 54.050 54.000 0.042 0.000 0.850 81 D CB 0.600 41.430 40.800 0.051 0.000 1.061 81 D HN 0.678 nan 8.370 nan 0.000 0.487 82 C N 6.004 125.280 119.300 -0.040 0.000 2.364 82 C HA 0.594 5.051 4.460 -0.005 0.000 0.356 82 C C -1.922 173.073 174.990 0.009 0.000 1.201 82 C CA -1.347 57.645 59.018 -0.044 0.000 2.227 82 C CB 1.228 28.919 27.740 -0.082 0.000 2.387 82 C HN 0.595 nan 8.230 nan 0.000 0.546 83 P HA 0.221 nan 4.420 nan 0.000 0.277 83 P C 0.158 177.566 177.300 0.181 0.000 1.240 83 P CA 0.303 63.445 63.100 0.070 0.000 0.798 83 P CB 0.895 32.637 31.700 0.071 0.000 0.979 84 G N 0.360 109.246 108.800 0.143 0.000 2.833 84 G HA2 -0.035 3.922 3.960 -0.005 0.000 0.210 84 G HA3 -0.035 3.922 3.960 -0.005 0.000 0.210 84 G C 0.477 175.400 174.900 0.039 0.000 1.139 84 G CA 0.297 45.456 45.100 0.098 0.000 0.771 84 G HN 0.520 nan 8.290 nan 0.000 0.535 85 H N 0.892 119.970 119.070 0.014 0.000 3.001 85 H HA 0.351 4.904 4.556 -0.005 0.000 0.334 85 H C 1.664 176.976 175.328 -0.026 0.000 1.034 85 H CA -0.155 55.887 56.048 -0.011 0.000 1.420 85 H CB 1.556 31.409 29.762 0.152 0.000 1.405 85 H HN 0.084 nan 8.280 nan 0.000 0.593 86 A N 3.793 126.551 122.820 -0.103 0.000 2.024 86 A HA -0.168 4.149 4.320 -0.005 0.000 0.220 86 A C 1.871 179.343 177.584 -0.187 0.000 1.164 86 A CA 1.657 53.617 52.037 -0.127 0.000 0.643 86 A CB -0.082 18.826 19.000 -0.154 0.000 0.806 86 A HN 0.731 nan 8.150 nan 0.000 0.451 87 D N -1.834 118.349 120.400 -0.361 0.000 2.350 87 D HA -0.054 4.583 4.640 -0.005 0.000 0.216 87 D C 0.156 176.037 176.300 -0.698 0.000 0.968 87 D CA 0.975 54.640 54.000 -0.558 0.000 0.894 87 D CB -0.166 40.159 40.800 -0.792 0.000 0.909 87 D HN 0.713 nan 8.370 nan 0.000 0.520 88 Y N -0.268 120.056 120.300 0.041 0.000 2.720 88 Y HA 0.210 4.757 4.550 -0.005 0.000 0.268 88 Y C 1.745 177.674 175.900 0.047 0.000 1.142 88 Y CA -0.563 57.570 58.100 0.054 0.000 1.193 88 Y CB 0.570 39.074 38.460 0.073 0.000 1.176 88 Y HN -0.161 nan 8.280 nan 0.000 0.542 89 I N 0.559 121.187 120.570 0.096 0.000 2.264 89 I HA -0.298 3.869 4.170 -0.005 0.000 0.248 89 I C 2.383 178.524 176.117 0.041 0.000 1.111 89 I CA 1.547 62.884 61.300 0.061 0.000 1.382 89 I CB -0.415 37.584 38.000 -0.002 0.000 1.060 89 I HN 0.263 nan 8.210 nan 0.000 0.418 90 K N 1.790 122.236 120.400 0.076 0.000 2.063 90 K HA -0.189 4.128 4.320 -0.005 0.000 0.208 90 K C 1.711 178.385 176.600 0.123 0.000 1.048 90 K CA 1.656 58.024 56.287 0.136 0.000 0.928 90 K CB -0.190 32.428 32.500 0.196 0.000 0.713 90 K HN 0.225 nan 8.250 nan 0.000 0.442 91 N N 0.203 118.984 118.700 0.135 0.000 2.188 91 N HA -0.153 4.584 4.740 -0.005 0.000 0.184 91 N C 1.574 177.113 175.510 0.049 0.000 1.018 91 N CA 1.445 54.557 53.050 0.103 0.000 0.858 91 N CB -0.305 38.250 38.487 0.114 0.000 0.989 91 N HN 0.321 nan 8.380 nan 0.000 0.426 92 M N 0.770 120.384 119.600 0.023 0.000 2.117 92 M HA -0.057 4.420 4.480 -0.005 0.000 0.262 92 M C 1.750 178.000 176.300 -0.083 0.000 1.065 92 M CA 1.196 56.450 55.300 -0.077 0.000 1.114 92 M CB -0.435 32.046 32.600 -0.198 0.000 1.361 92 M HN 0.035 nan 8.290 nan 0.000 0.408 93 I N 0.688 121.233 120.570 -0.042 0.000 2.208 93 I HA -0.321 3.846 4.170 -0.005 0.000 0.245 93 I C 2.456 178.590 176.117 0.028 0.000 1.097 93 I CA 1.993 63.284 61.300 -0.014 0.000 1.363 93 I CB -0.687 37.327 38.000 0.023 0.000 1.051 93 I HN 0.468 nan 8.210 nan 0.000 0.413 94 T N -1.673 112.914 114.554 0.055 0.000 2.788 94 T HA -0.081 4.266 4.350 -0.005 0.000 0.268 94 T C 1.943 176.683 174.700 0.067 0.000 1.044 94 T CA 1.189 63.332 62.100 0.072 0.000 1.139 94 T CB -0.960 67.961 68.868 0.088 0.000 0.867 94 T HN 0.425 nan 8.240 nan 0.000 0.454 95 G N 1.029 109.853 108.800 0.041 0.000 2.394 95 G HA2 0.189 4.146 3.960 -0.005 0.000 0.215 95 G HA3 0.189 4.146 3.960 -0.005 0.000 0.215 95 G C 1.949 176.859 174.900 0.017 0.000 1.165 95 G CA 0.636 45.759 45.100 0.037 0.000 0.784 95 G HN 0.722 nan 8.290 nan 0.000 0.535 96 A N 1.333 124.143 122.820 -0.017 0.000 1.940 96 A HA 0.208 4.525 4.320 -0.005 0.000 0.219 96 A C 2.714 180.315 177.584 0.027 0.000 1.176 96 A CA 2.169 54.197 52.037 -0.016 0.000 0.631 96 A CB -0.707 18.265 19.000 -0.048 0.000 0.814 96 A HN 0.823 nan 8.150 nan 0.000 0.446 97 A N -1.039 121.805 122.820 0.040 0.000 2.178 97 A HA -0.120 4.197 4.320 -0.005 0.000 0.218 97 A C 1.926 179.547 177.584 0.062 0.000 1.157 97 A CA 1.376 53.446 52.037 0.054 0.000 0.689 97 A CB -0.381 18.654 19.000 0.059 0.000 0.787 97 A HN 0.701 nan 8.150 nan 0.000 0.465 98 Q N -1.068 118.773 119.800 0.069 0.000 2.408 98 Q HA 0.243 4.580 4.340 -0.005 0.000 0.205 98 Q C -0.011 176.037 176.000 0.081 0.000 0.919 98 Q CA -0.085 55.767 55.803 0.082 0.000 0.932 98 Q CB 0.142 28.949 28.738 0.115 0.000 1.058 98 Q HN 0.653 nan 8.270 nan 0.000 0.517 99 M N 1.133 120.775 119.600 0.070 0.000 2.185 99 M HA 0.051 4.528 4.480 -0.005 0.000 0.357 99 M C 0.062 176.427 176.300 0.107 0.000 1.260 99 M CA 0.047 55.392 55.300 0.075 0.000 1.124 99 M CB 0.819 33.448 32.600 0.048 0.000 1.600 99 M HN -0.074 nan 8.290 nan 0.000 0.467 100 D N 1.769 122.244 120.400 0.126 0.000 2.333 100 D HA 0.190 4.827 4.640 -0.005 0.000 0.208 100 D C 0.608 177.043 176.300 0.225 0.000 0.984 100 D CA 0.554 54.652 54.000 0.163 0.000 0.873 100 D CB 0.659 41.545 40.800 0.143 0.000 0.935 100 D HN 0.817 nan 8.370 nan 0.000 0.521 101 G N -0.342 108.570 108.800 0.186 0.000 2.733 101 G HA2 0.551 4.508 3.960 -0.005 0.000 0.297 101 G HA3 0.551 4.508 3.960 -0.005 0.000 0.297 101 G C -1.682 173.288 174.900 0.116 0.000 1.452 101 G CA -0.317 44.913 45.100 0.216 0.000 0.940 101 G HN 0.120 nan 8.290 nan 0.000 0.547 102 A N 1.068 123.944 122.820 0.093 0.000 2.355 102 A HA 0.848 5.165 4.320 -0.005 0.000 0.324 102 A C -0.437 177.153 177.584 0.010 0.000 1.117 102 A CA -0.689 51.353 52.037 0.010 0.000 0.785 102 A CB 1.018 20.002 19.000 -0.027 0.000 1.254 102 A HN 0.715 nan 8.150 nan 0.000 0.453 103 I N 2.436 123.000 120.570 -0.010 0.000 2.306 103 I HA 0.187 4.354 4.170 -0.005 0.000 0.288 103 I C -0.569 175.571 176.117 0.039 0.000 1.036 103 I CA -0.474 60.841 61.300 0.026 0.000 1.221 103 I CB 1.244 39.262 38.000 0.029 0.000 1.385 103 I HN 0.548 nan 8.210 nan 0.000 0.472 104 L N 9.076 130.323 121.223 0.041 0.000 2.283 104 L HA 0.347 4.685 4.340 -0.005 0.000 0.287 104 L C -0.332 176.608 176.870 0.117 0.000 1.073 104 L CA 0.019 54.891 54.840 0.054 0.000 0.822 104 L CB 0.908 42.969 42.059 0.004 0.000 1.186 104 L HN 0.274 nan 8.230 nan 0.000 0.436 105 V N 6.345 126.349 119.914 0.150 0.000 2.406 105 V HA 0.436 4.553 4.120 -0.005 0.000 0.272 105 V C -0.128 176.104 176.094 0.230 0.000 1.043 105 V CA -0.506 61.922 62.300 0.214 0.000 0.915 105 V CB 1.364 33.315 31.823 0.213 0.000 0.988 105 V HN 0.526 nan 8.190 nan 0.000 0.466 106 V N 3.873 123.909 119.914 0.203 0.000 2.483 106 V HA 0.356 4.473 4.120 -0.005 0.000 0.297 106 V C 0.261 176.382 176.094 0.045 0.000 1.027 106 V CA -0.495 61.939 62.300 0.223 0.000 0.855 106 V CB 2.053 33.949 31.823 0.123 0.000 0.995 106 V HN 0.878 nan 8.190 nan 0.000 0.424 107 S N 3.749 119.319 115.700 -0.215 0.000 2.498 107 S HA 0.333 4.800 4.470 -0.005 0.000 0.281 107 S C 1.418 175.879 174.600 -0.233 0.000 1.265 107 S CA 0.167 58.138 58.200 -0.382 0.000 1.071 107 S CB 1.139 63.844 63.200 -0.826 0.000 0.894 107 S HN 1.069 nan 8.310 nan 0.000 0.491 108 A N 5.047 127.777 122.820 -0.149 0.000 2.015 108 A HA 0.153 4.470 4.320 -0.005 0.000 0.219 108 A C 2.211 179.734 177.584 -0.102 0.000 1.163 108 A CA 1.468 53.441 52.037 -0.107 0.000 0.646 108 A CB -0.937 18.009 19.000 -0.090 0.000 0.806 108 A HN 1.219 nan 8.150 nan 0.000 0.448 109 A N -1.058 121.688 122.820 -0.124 0.000 2.167 109 A HA 0.021 4.338 4.320 -0.005 0.000 0.214 109 A C 1.456 178.980 177.584 -0.100 0.000 1.151 109 A CA 1.346 53.323 52.037 -0.100 0.000 0.735 109 A CB -0.100 18.843 19.000 -0.096 0.000 0.802 109 A HN 0.536 nan 8.150 nan 0.000 0.467 110 D N -1.929 118.385 120.400 -0.143 0.000 2.403 110 D HA 0.315 4.952 4.640 -0.005 0.000 0.280 110 D C 1.083 177.350 176.300 -0.055 0.000 1.091 110 D CA 0.919 54.859 54.000 -0.099 0.000 0.884 110 D CB 0.576 41.308 40.800 -0.112 0.000 1.427 110 D HN 0.520 nan 8.370 nan 0.000 0.504 111 G N 2.606 111.368 108.800 -0.062 0.000 2.796 111 G HA2 -0.178 3.779 3.960 -0.005 0.000 0.571 111 G HA3 -0.178 3.779 3.960 -0.005 0.000 0.571 111 G C -2.717 172.217 174.900 0.056 0.000 1.370 111 G CA -0.846 44.248 45.100 -0.010 0.000 0.856 111 G HN -0.040 nan 8.290 nan 0.000 0.538 112 P HA 0.328 nan 4.420 nan 0.000 0.268 112 P C -0.174 177.105 177.300 -0.036 0.000 1.205 112 P CA 0.336 63.460 63.100 0.039 0.000 0.771 112 P CB 0.736 32.456 31.700 0.034 0.000 0.858 113 M N 3.475 122.986 119.600 -0.148 0.000 2.775 113 M HA 0.313 4.790 4.480 -0.005 0.000 0.296 113 M C -1.714 174.462 176.300 -0.207 0.000 1.248 113 M CA -2.567 52.520 55.300 -0.354 0.000 0.800 113 M CB 0.880 32.856 32.600 -1.039 0.000 1.765 113 M HN -0.001 nan 8.290 nan 0.000 0.472 114 P HA -0.177 nan 4.420 nan 0.000 0.216 114 P C 0.807 178.143 177.300 0.061 0.000 1.154 114 P CA 1.721 64.841 63.100 0.032 0.000 0.865 114 P CB 0.253 31.997 31.700 0.074 0.000 0.789 115 Q N -2.062 117.855 119.800 0.195 0.000 2.432 115 Q HA 0.005 4.342 4.340 -0.005 0.000 0.205 115 Q C 1.895 177.748 176.000 -0.246 0.000 0.945 115 Q CA 1.102 56.837 55.803 -0.114 0.000 0.924 115 Q CB -1.203 27.319 28.738 -0.360 0.000 1.016 115 Q HN 0.226 nan 8.270 nan 0.000 0.503 116 T N -0.053 114.448 114.554 -0.087 0.000 2.737 116 T HA -0.098 4.249 4.350 -0.005 0.000 0.265 116 T C 1.585 176.274 174.700 -0.019 0.000 1.038 116 T CA 1.152 63.215 62.100 -0.062 0.000 1.144 116 T CB -0.011 68.849 68.868 -0.013 0.000 0.866 116 T HN 0.281 nan 8.240 nan 0.000 0.434 117 R N 0.858 121.361 120.500 0.006 0.000 2.062 117 R HA 0.007 4.344 4.340 -0.005 0.000 0.229 117 R C 2.575 178.802 176.300 -0.121 0.000 1.128 117 R CA 1.224 57.339 56.100 0.025 0.000 0.960 117 R CB -0.274 30.107 30.300 0.135 0.000 0.855 117 R HN 0.487 nan 8.270 nan 0.000 0.432 118 E N 0.537 120.705 120.200 -0.053 0.000 2.085 118 E HA -0.215 4.132 4.350 -0.005 0.000 0.194 118 E C 1.777 178.390 176.600 0.022 0.000 0.994 118 E CA 1.285 57.663 56.400 -0.036 0.000 0.801 118 E CB 0.017 29.725 29.700 0.012 0.000 0.743 118 E HN 0.540 nan 8.360 nan 0.000 0.453 119 H N -0.419 118.592 119.070 -0.099 0.000 2.389 119 H HA -0.080 4.473 4.556 -0.005 0.000 0.299 119 H C 2.275 177.528 175.328 -0.124 0.000 1.081 119 H CA 1.056 57.050 56.048 -0.090 0.000 1.345 119 H CB 0.138 29.865 29.762 -0.058 0.000 1.393 119 H HN 0.220 nan 8.280 nan 0.000 0.520 120 I N 0.746 121.286 120.570 -0.050 0.000 2.202 120 I HA -0.253 3.914 4.170 -0.005 0.000 0.242 120 I C 2.623 178.637 176.117 -0.172 0.000 1.091 120 I CA 0.497 61.722 61.300 -0.125 0.000 1.368 120 I CB -0.101 37.842 38.000 -0.096 0.000 1.058 120 I HN 0.299 nan 8.210 nan 0.000 0.410 121 L N 1.112 122.028 121.223 -0.511 0.000 2.012 121 L HA -0.214 4.123 4.340 -0.005 0.000 0.210 121 L C 2.387 179.178 176.870 -0.132 0.000 1.073 121 L CA 2.151 56.717 54.840 -0.457 0.000 0.748 121 L CB -0.621 41.132 42.059 -0.510 0.000 0.891 121 L HN 0.270 nan 8.230 nan 0.000 0.431 122 L N -0.023 121.143 121.223 -0.095 0.000 2.141 122 L HA -0.131 4.206 4.340 -0.005 0.000 0.209 122 L C 2.875 179.742 176.870 -0.005 0.000 1.094 122 L CA 0.955 55.763 54.840 -0.052 0.000 0.763 122 L CB -0.724 41.296 42.059 -0.066 0.000 0.908 122 L HN 0.318 nan 8.230 nan 0.000 0.437 123 A N 0.171 123.008 122.820 0.028 0.000 1.933 123 A HA -0.245 4.072 4.320 -0.005 0.000 0.218 123 A C 2.458 180.160 177.584 0.196 0.000 1.175 123 A CA 1.739 53.841 52.037 0.108 0.000 0.628 123 A CB -0.552 18.512 19.000 0.107 0.000 0.814 123 A HN 0.357 nan 8.150 nan 0.000 0.444 124 R N -0.919 119.711 120.500 0.217 0.000 2.075 124 R HA -0.152 4.185 4.340 -0.005 0.000 0.232 124 R C 2.138 178.448 176.300 0.016 0.000 1.126 124 R CA 1.555 57.707 56.100 0.087 0.000 0.963 124 R CB -0.252 30.080 30.300 0.053 0.000 0.858 124 R HN 0.465 nan 8.270 nan 0.000 0.435 125 Q N 0.168 119.974 119.800 0.011 0.000 2.170 125 Q HA -0.103 4.234 4.340 -0.005 0.000 0.203 125 Q C 2.095 178.107 176.000 0.020 0.000 0.976 125 Q CA 1.743 57.543 55.803 -0.006 0.000 0.858 125 Q CB -0.118 28.603 28.738 -0.029 0.000 0.907 125 Q HN 0.475 nan 8.270 nan 0.000 0.433 126 V N -4.082 115.853 119.914 0.034 0.000 3.608 126 V HA 0.424 4.541 4.120 -0.005 0.000 0.269 126 V C 1.162 177.285 176.094 0.048 0.000 1.245 126 V CA 0.993 63.321 62.300 0.047 0.000 1.138 126 V CB 0.040 31.891 31.823 0.047 0.000 0.841 126 V HN 0.334 nan 8.190 nan 0.000 0.451 127 G N 0.134 108.960 108.800 0.044 0.000 2.134 127 G HA2 -0.186 3.771 3.960 -0.005 0.000 0.209 127 G HA3 -0.186 3.771 3.960 -0.005 0.000 0.209 127 G C -0.028 174.910 174.900 0.064 0.000 0.993 127 G CA -0.134 44.985 45.100 0.032 0.000 0.669 127 G HN 0.797 nan 8.290 nan 0.000 0.519 128 V N 2.081 122.070 119.914 0.125 0.000 2.458 128 V HA 0.147 4.264 4.120 -0.005 0.000 0.287 128 V C 0.331 176.550 176.094 0.207 0.000 1.009 128 V CA 0.127 62.533 62.300 0.178 0.000 1.091 128 V CB 1.059 33.004 31.823 0.204 0.000 0.960 128 V HN 0.337 nan 8.190 nan 0.000 0.476 129 P HA 0.002 nan 4.420 nan 0.000 0.227 129 P C -0.368 176.720 177.300 -0.352 0.000 1.161 129 P CA 0.919 63.955 63.100 -0.107 0.000 0.788 129 P CB 0.330 31.993 31.700 -0.061 0.000 0.822 130 Y N -1.301 119.192 120.300 0.322 0.000 2.571 130 Y HA 0.534 5.081 4.550 -0.005 0.000 0.341 130 Y C 0.107 176.170 175.900 0.272 0.000 1.076 130 Y CA -1.010 57.303 58.100 0.354 0.000 1.029 130 Y CB 1.763 40.351 38.460 0.213 0.000 1.308 130 Y HN -0.331 nan 8.280 nan 0.000 0.461 131 I N 2.260 123.066 120.570 0.392 0.000 2.582 131 I HA 0.574 4.741 4.170 -0.005 0.000 0.292 131 I C -1.282 174.915 176.117 0.133 0.000 1.066 131 I CA -1.043 60.312 61.300 0.091 0.000 1.053 131 I CB 2.141 39.956 38.000 -0.308 0.000 1.241 131 I HN 0.270 nan 8.210 nan 0.000 0.421 132 V N 6.318 126.274 119.914 0.070 0.000 2.628 132 V HA 0.487 4.604 4.120 -0.005 0.000 0.306 132 V C -0.334 175.767 176.094 0.012 0.000 1.045 132 V CA -0.714 61.585 62.300 -0.001 0.000 0.905 132 V CB 2.482 34.336 31.823 0.052 0.000 0.997 132 V HN 0.365 nan 8.190 nan 0.000 0.436 133 V N 4.130 124.043 119.914 -0.002 0.000 2.435 133 V HA 0.466 4.583 4.120 -0.005 0.000 0.290 133 V C -0.799 175.358 176.094 0.105 0.000 1.030 133 V CA -0.506 61.818 62.300 0.039 0.000 0.881 133 V CB 1.580 33.399 31.823 -0.007 0.000 0.983 133 V HN 0.713 nan 8.190 nan 0.000 0.445 134 F N 5.683 125.632 119.950 -0.001 0.000 2.403 134 F HA 0.559 5.084 4.527 -0.005 0.000 0.355 134 F C 0.112 175.921 175.800 0.015 0.000 1.119 134 F CA -0.654 57.350 58.000 0.007 0.000 1.007 134 F CB 1.380 40.386 39.000 0.011 0.000 1.194 134 F HN 0.497 nan 8.300 nan 0.000 0.443 135 M N 6.578 125.935 119.600 -0.404 0.000 2.193 135 M HA 0.225 4.702 4.480 -0.005 0.000 0.342 135 M C -0.879 175.167 176.300 -0.423 0.000 1.413 135 M CA -0.028 55.105 55.300 -0.277 0.000 1.191 135 M CB -0.015 32.454 32.600 -0.219 0.000 1.633 135 M HN 0.666 nan 8.290 nan 0.000 0.458 136 N N 3.257 121.876 118.700 -0.135 0.000 2.478 136 N HA 0.347 5.084 4.740 -0.005 0.000 0.275 136 N C -0.668 174.809 175.510 -0.055 0.000 1.221 136 N CA 0.049 53.100 53.050 0.002 0.000 0.979 136 N CB 0.835 39.460 38.487 0.230 0.000 1.202 136 N HN 0.652 nan 8.380 nan 0.000 0.564 137 K N -0.978 119.400 120.400 -0.036 0.000 3.069 137 K HA -0.152 4.165 4.320 -0.005 0.000 0.267 137 K C 0.907 177.449 176.600 -0.096 0.000 1.082 137 K CA 0.726 56.959 56.287 -0.090 0.000 0.782 137 K CB -2.326 30.116 32.500 -0.098 0.000 1.230 137 K HN 0.438 nan 8.250 nan 0.000 0.488 138 V N -1.252 118.617 119.914 -0.076 0.000 2.913 138 V HA -0.215 3.902 4.120 -0.005 0.000 0.260 138 V C 2.056 178.142 176.094 -0.014 0.000 1.098 138 V CA 1.963 64.247 62.300 -0.026 0.000 1.121 138 V CB -0.323 31.527 31.823 0.044 0.000 0.714 138 V HN 0.412 nan 8.190 nan 0.000 0.487 139 D N 0.323 120.655 120.400 -0.114 0.000 2.350 139 D HA -0.179 4.458 4.640 -0.005 0.000 0.216 139 D C 1.751 178.000 176.300 -0.085 0.000 0.968 139 D CA 1.141 55.057 54.000 -0.139 0.000 0.894 139 D CB -0.139 40.442 40.800 -0.364 0.000 0.909 139 D HN 0.532 nan 8.370 nan 0.000 0.520 140 M N 0.487 120.039 119.600 -0.081 0.000 2.428 140 M HA 0.155 4.632 4.480 -0.005 0.000 0.239 140 M C -0.243 176.031 176.300 -0.043 0.000 1.121 140 M CA 0.018 55.280 55.300 -0.064 0.000 1.019 140 M CB 1.510 34.065 32.600 -0.074 0.000 1.485 140 M HN -0.214 nan 8.290 nan 0.000 0.484 141 V N 1.240 121.136 119.914 -0.030 0.000 2.540 141 V HA 0.211 4.328 4.120 -0.005 0.000 0.302 141 V C -0.399 175.693 176.094 -0.003 0.000 1.035 141 V CA -0.630 61.657 62.300 -0.021 0.000 0.873 141 V CB 1.862 33.669 31.823 -0.027 0.000 0.992 141 V HN 0.322 nan 8.190 nan 0.000 0.428 142 D N 1.009 121.407 120.400 -0.003 0.000 2.513 142 D HA 0.130 4.767 4.640 -0.005 0.000 0.222 142 D C -0.087 176.213 176.300 0.001 0.000 1.210 142 D CA -0.104 53.899 54.000 0.005 0.000 0.825 142 D CB 0.531 41.333 40.800 0.004 0.000 1.037 142 D HN 0.389 nan 8.370 nan 0.000 0.506 143 D N 1.505 121.902 120.400 -0.005 0.000 2.453 143 D HA 0.188 4.825 4.640 -0.005 0.000 0.238 143 D C -1.504 174.791 176.300 -0.009 0.000 1.088 143 D CA -2.099 51.897 54.000 -0.007 0.000 0.854 143 D CB 2.447 43.241 40.800 -0.010 0.000 1.076 143 D HN -0.161 nan 8.370 nan 0.000 0.533 144 P HA -0.158 nan 4.420 nan 0.000 0.218 144 P C 0.779 178.071 177.300 -0.014 0.000 1.148 144 P CA 1.012 64.106 63.100 -0.011 0.000 0.822 144 P CB 0.619 32.313 31.700 -0.010 0.000 0.784 145 E N -0.557 119.636 120.200 -0.013 0.000 2.150 145 E HA -0.129 4.218 4.350 -0.005 0.000 0.193 145 E C 2.058 178.649 176.600 -0.016 0.000 0.985 145 E CA 0.464 56.856 56.400 -0.013 0.000 0.814 145 E CB -0.525 29.169 29.700 -0.011 0.000 0.752 145 E HN 0.141 nan 8.360 nan 0.000 0.466 146 L N 1.087 122.300 121.223 -0.017 0.000 2.056 146 L HA -0.135 4.202 4.340 -0.005 0.000 0.207 146 L C 1.989 178.844 176.870 -0.025 0.000 1.078 146 L CA 1.456 56.284 54.840 -0.020 0.000 0.749 146 L CB -0.296 41.750 42.059 -0.021 0.000 0.901 146 L HN 0.098 nan 8.230 nan 0.000 0.433 147 L N -0.807 120.401 121.223 -0.026 0.000 2.046 147 L HA -0.203 4.134 4.340 -0.005 0.000 0.208 147 L C 2.219 179.070 176.870 -0.031 0.000 1.077 147 L CA 1.307 56.127 54.840 -0.033 0.000 0.747 147 L CB -0.888 41.152 42.059 -0.032 0.000 0.896 147 L HN 0.248 nan 8.230 nan 0.000 0.432 148 D N 0.060 120.445 120.400 -0.025 0.000 2.144 148 D HA -0.167 4.470 4.640 -0.005 0.000 0.199 148 D C 2.049 178.337 176.300 -0.020 0.000 0.984 148 D CA 0.990 54.977 54.000 -0.022 0.000 0.834 148 D CB -0.080 40.709 40.800 -0.018 0.000 0.955 148 D HN 0.133 nan 8.370 nan 0.000 0.465 149 L N 0.410 121.622 121.223 -0.019 0.000 2.027 149 L HA -0.118 4.220 4.340 -0.005 0.000 0.206 149 L C 2.175 179.035 176.870 -0.016 0.000 1.074 149 L CA 1.314 56.144 54.840 -0.016 0.000 0.745 149 L CB -0.508 41.542 42.059 -0.015 0.000 0.898 149 L HN -0.129 nan 8.230 nan 0.000 0.433 150 V N 0.008 119.909 119.914 -0.022 0.000 2.343 150 V HA -0.311 3.806 4.120 -0.005 0.000 0.247 150 V C 2.612 178.695 176.094 -0.019 0.000 1.051 150 V CA 2.028 64.316 62.300 -0.021 0.000 1.036 150 V CB -0.695 31.108 31.823 -0.033 0.000 0.654 150 V HN 0.640 nan 8.190 nan 0.000 0.451 151 E N -0.216 119.969 120.200 -0.025 0.000 2.077 151 E HA -0.279 4.068 4.350 -0.005 0.000 0.193 151 E C 2.257 178.849 176.600 -0.014 0.000 0.989 151 E CA 1.770 58.155 56.400 -0.025 0.000 0.800 151 E CB -0.192 29.489 29.700 -0.032 0.000 0.746 151 E HN 0.583 nan 8.360 nan 0.000 0.452 152 M N 0.532 120.125 119.600 -0.013 0.000 2.086 152 M HA -0.211 4.266 4.480 -0.005 0.000 0.261 152 M C 1.832 178.130 176.300 -0.004 0.000 1.067 152 M CA 1.826 57.121 55.300 -0.008 0.000 1.116 152 M CB -0.016 32.578 32.600 -0.009 0.000 1.348 152 M HN 0.093 nan 8.290 nan 0.000 0.407 153 E N -0.620 119.578 120.200 -0.003 0.000 2.077 153 E HA -0.186 4.161 4.350 -0.005 0.000 0.193 153 E C 1.941 178.549 176.600 0.012 0.000 0.989 153 E CA 1.639 58.041 56.400 0.003 0.000 0.800 153 E CB -0.160 29.541 29.700 0.003 0.000 0.746 153 E HN 0.413 nan 8.360 nan 0.000 0.452 154 V N 1.201 121.123 119.914 0.012 0.000 2.358 154 V HA -0.241 3.876 4.120 -0.005 0.000 0.246 154 V C 2.228 178.337 176.094 0.025 0.000 1.047 154 V CA 1.668 63.982 62.300 0.023 0.000 1.035 154 V CB -0.450 31.382 31.823 0.015 0.000 0.658 154 V HN 0.195 nan 8.190 nan 0.000 0.452 155 R N 0.113 120.621 120.500 0.014 0.000 2.081 155 R HA -0.197 4.140 4.340 -0.005 0.000 0.235 155 R C 2.146 178.460 176.300 0.022 0.000 1.131 155 R CA 1.932 58.044 56.100 0.019 0.000 0.960 155 R CB -0.489 29.816 30.300 0.009 0.000 0.856 155 R HN 0.632 nan 8.270 nan 0.000 0.436 156 D N 0.649 121.054 120.400 0.008 0.000 2.117 156 D HA -0.171 4.466 4.640 -0.005 0.000 0.197 156 D C 1.829 178.118 176.300 -0.018 0.000 0.987 156 D CA 0.700 54.696 54.000 -0.008 0.000 0.829 156 D CB 0.030 40.821 40.800 -0.015 0.000 0.961 156 D HN 0.016 nan 8.370 nan 0.000 0.460 157 L N 0.250 121.478 121.223 0.008 0.000 2.012 157 L HA -0.101 4.236 4.340 -0.005 0.000 0.210 157 L C 2.186 179.101 176.870 0.075 0.000 1.073 157 L CA 1.575 56.434 54.840 0.031 0.000 0.748 157 L CB -0.651 41.468 42.059 0.100 0.000 0.891 157 L HN 0.225 nan 8.230 nan 0.000 0.431 158 L N -0.538 120.755 121.223 0.118 0.000 2.046 158 L HA -0.236 4.101 4.340 -0.005 0.000 0.208 158 L C 2.310 179.294 176.870 0.190 0.000 1.077 158 L CA 1.244 56.208 54.840 0.208 0.000 0.747 158 L CB -0.795 41.355 42.059 0.153 0.000 0.896 158 L HN 0.368 nan 8.230 nan 0.000 0.432 159 N N -0.383 118.359 118.700 0.070 0.000 2.149 159 N HA -0.187 4.551 4.740 -0.005 0.000 0.188 159 N C 1.824 177.282 175.510 -0.087 0.000 1.019 159 N CA 0.961 54.019 53.050 0.013 0.000 0.857 159 N CB -0.237 38.242 38.487 -0.013 0.000 0.997 159 N HN 0.336 nan 8.380 nan 0.000 0.426 160 Q N -0.399 119.266 119.800 -0.225 0.000 2.364 160 Q HA -0.066 4.271 4.340 -0.005 0.000 0.209 160 Q C 0.454 176.078 176.000 -0.627 0.000 0.977 160 Q CA 0.979 56.490 55.803 -0.487 0.000 0.885 160 Q CB -0.192 28.122 28.738 -0.706 0.000 0.941 160 Q HN 0.637 nan 8.270 nan 0.000 0.464 161 Y N -0.308 120.011 120.300 0.031 0.000 2.720 161 Y HA 0.179 4.726 4.550 -0.005 0.000 0.268 161 Y C -0.063 175.816 175.900 -0.036 0.000 1.142 161 Y CA -0.490 57.629 58.100 0.031 0.000 1.193 161 Y CB 0.622 39.177 38.460 0.158 0.000 1.176 161 Y HN 0.001 nan 8.280 nan 0.000 0.542 162 E N -1.516 118.683 120.200 -0.001 0.000 3.286 162 E HA -0.236 4.111 4.350 -0.005 0.000 0.292 162 E C -0.797 175.689 176.600 -0.190 0.000 0.928 162 E CA 0.634 56.967 56.400 -0.112 0.000 0.982 162 E CB -2.073 27.521 29.700 -0.178 0.000 1.500 162 E HN 0.420 nan 8.360 nan 0.000 0.441 163 F N 0.489 120.466 119.950 0.044 0.000 2.377 163 F HA 0.363 4.887 4.527 -0.005 0.000 0.328 163 F C -1.453 174.379 175.800 0.053 0.000 1.094 163 F CA -2.031 56.000 58.000 0.051 0.000 1.093 163 F CB 0.856 39.907 39.000 0.086 0.000 1.214 163 F HN -0.257 nan 8.300 nan 0.000 0.518 164 P HA 0.084 nan 4.420 nan 0.000 0.237 164 P C 0.689 178.095 177.300 0.177 0.000 1.788 164 P CA 0.206 63.419 63.100 0.188 0.000 1.061 164 P CB 0.062 31.889 31.700 0.212 0.000 1.967 165 G N 2.252 111.138 108.800 0.143 0.000 2.475 165 G HA2 -0.235 3.722 3.960 -0.005 0.000 0.220 165 G HA3 -0.235 3.722 3.960 -0.005 0.000 0.220 165 G C 0.998 175.932 174.900 0.057 0.000 1.125 165 G CA 0.495 45.652 45.100 0.095 0.000 0.755 165 G HN 0.296 nan 8.290 nan 0.000 0.565 166 D N -0.010 120.425 120.400 0.058 0.000 2.355 166 D HA 0.053 4.690 4.640 -0.005 0.000 0.218 166 D C 1.819 178.147 176.300 0.047 0.000 1.004 166 D CA 0.603 54.627 54.000 0.040 0.000 0.880 166 D CB 0.323 41.144 40.800 0.034 0.000 0.911 166 D HN 0.335 nan 8.370 nan 0.000 0.528 167 E N -0.331 119.915 120.200 0.076 0.000 2.434 167 E HA 0.089 4.436 4.350 -0.005 0.000 0.207 167 E C 0.461 177.074 176.600 0.021 0.000 0.929 167 E CA -0.073 56.385 56.400 0.097 0.000 1.001 167 E CB 0.869 30.681 29.700 0.187 0.000 1.016 167 E HN -0.087 nan 8.360 nan 0.000 0.502 168 V N 3.370 123.258 119.914 -0.043 0.000 2.872 168 V HA 0.043 4.160 4.120 -0.005 0.000 0.307 168 V C -2.132 173.771 176.094 -0.318 0.000 1.072 168 V CA -1.061 61.040 62.300 -0.332 0.000 1.148 168 V CB 0.392 32.121 31.823 -0.155 0.000 0.954 168 V HN 0.059 nan 8.190 nan 0.000 0.490 169 P HA 0.254 nan 4.420 nan 0.000 0.276 169 P C -0.998 176.221 177.300 -0.136 0.000 1.230 169 P CA -0.055 62.907 63.100 -0.230 0.000 0.776 169 P CB 0.668 32.240 31.700 -0.214 0.000 0.888 170 V N 5.532 125.397 119.914 -0.082 0.000 2.349 170 V HA 0.272 4.389 4.120 -0.005 0.000 0.284 170 V C -0.111 175.942 176.094 -0.069 0.000 1.014 170 V CA -0.534 61.726 62.300 -0.067 0.000 0.826 170 V CB 1.120 32.905 31.823 -0.063 0.000 1.009 170 V HN 0.390 nan 8.190 nan 0.000 0.431 171 I N 5.092 125.620 120.570 -0.070 0.000 2.359 171 I HA 0.514 4.681 4.170 -0.005 0.000 0.294 171 I C 0.440 176.352 176.117 -0.342 0.000 0.987 171 I CA -0.475 60.766 61.300 -0.098 0.000 1.225 171 I CB 1.568 39.614 38.000 0.076 0.000 1.366 171 I HN 0.499 nan 8.210 nan 0.000 0.466 172 R N 3.918 124.252 120.500 -0.276 0.000 2.338 172 R HA 0.756 5.093 4.340 -0.005 0.000 0.317 172 R C 0.195 176.323 176.300 -0.286 0.000 0.968 172 R CA -0.524 55.375 56.100 -0.335 0.000 0.849 172 R CB 2.046 32.254 30.300 -0.153 0.000 1.128 172 R HN 0.928 nan 8.270 nan 0.000 0.448 173 G N -0.072 108.483 108.800 -0.409 0.000 2.570 173 G HA2 0.296 4.253 3.960 -0.005 0.000 0.310 173 G HA3 0.296 4.253 3.960 -0.005 0.000 0.310 173 G C -1.563 173.430 174.900 0.156 0.000 1.266 173 G CA -0.426 44.722 45.100 0.079 0.000 0.825 173 G HN 0.354 nan 8.290 nan 0.000 0.483 174 S N -0.829 115.056 115.700 0.309 0.000 2.774 174 S HA 0.574 5.042 4.470 -0.005 0.000 0.297 174 S C 1.052 175.694 174.600 0.071 0.000 1.143 174 S CA 0.673 58.872 58.200 -0.002 0.000 1.090 174 S CB 0.972 63.798 63.200 -0.622 0.000 1.019 174 S HN 1.652 nan 8.310 nan 0.000 0.482 175 A N 4.620 127.511 122.820 0.119 0.000 1.933 175 A HA 0.017 4.334 4.320 -0.005 0.000 0.218 175 A C 1.878 179.394 177.584 -0.113 0.000 1.175 175 A CA 1.395 53.414 52.037 -0.031 0.000 0.628 175 A CB -0.628 18.339 19.000 -0.055 0.000 0.814 175 A HN 0.831 nan 8.150 nan 0.000 0.444 176 L N -0.173 120.967 121.223 -0.138 0.000 2.017 176 L HA -0.075 4.262 4.340 -0.005 0.000 0.208 176 L C 2.253 178.977 176.870 -0.242 0.000 1.073 176 L CA 1.708 56.435 54.840 -0.189 0.000 0.745 176 L CB -0.475 41.470 42.059 -0.189 0.000 0.894 176 L HN 0.394 nan 8.230 nan 0.000 0.432 177 L N -0.762 120.254 121.223 -0.344 0.000 2.141 177 L HA -0.136 4.201 4.340 -0.005 0.000 0.209 177 L C 2.601 179.363 176.870 -0.180 0.000 1.094 177 L CA 0.948 55.545 54.840 -0.405 0.000 0.763 177 L CB -0.903 40.546 42.059 -1.017 0.000 0.908 177 L HN 0.391 nan 8.230 nan 0.000 0.437 178 A N 0.052 122.816 122.820 -0.094 0.000 1.897 178 A HA -0.185 4.132 4.320 -0.005 0.000 0.215 178 A C 2.182 179.670 177.584 -0.160 0.000 1.181 178 A CA 1.265 53.293 52.037 -0.015 0.000 0.620 178 A CB -0.545 18.458 19.000 0.006 0.000 0.821 178 A HN 0.296 nan 8.150 nan 0.000 0.443 179 L N 0.273 121.341 121.223 -0.257 0.000 2.093 179 L HA -0.120 4.217 4.340 -0.005 0.000 0.208 179 L C 2.125 178.641 176.870 -0.590 0.000 1.085 179 L CA 2.263 56.820 54.840 -0.472 0.000 0.755 179 L CB -0.646 41.153 42.059 -0.434 0.000 0.904 179 L HN 0.516 nan 8.230 nan 0.000 0.435 180 E N -1.107 118.892 120.200 -0.334 0.000 2.110 180 E HA -0.286 4.061 4.350 -0.005 0.000 0.193 180 E C 2.061 178.585 176.600 -0.127 0.000 0.988 180 E CA 1.120 57.403 56.400 -0.196 0.000 0.804 180 E CB -0.090 29.537 29.700 -0.122 0.000 0.745 180 E HN 0.488 nan 8.360 nan 0.000 0.458 181 Q N 0.413 120.150 119.800 -0.105 0.000 2.119 181 Q HA -0.123 4.214 4.340 -0.005 0.000 0.201 181 Q C 1.910 177.878 176.000 -0.054 0.000 0.972 181 Q CA 1.392 57.177 55.803 -0.029 0.000 0.847 181 Q CB 0.037 28.800 28.738 0.041 0.000 0.903 181 Q HN 0.137 nan 8.270 nan 0.000 0.433 182 M N -0.787 118.717 119.600 -0.159 0.000 2.296 182 M HA -0.080 4.397 4.480 -0.005 0.000 0.265 182 M C 1.769 177.979 176.300 -0.150 0.000 1.064 182 M CA 1.521 56.727 55.300 -0.156 0.000 1.109 182 M CB -1.107 31.328 32.600 -0.274 0.000 1.396 182 M HN 0.425 nan 8.290 nan 0.000 0.430 183 H N 0.006 118.901 119.070 -0.291 0.000 2.357 183 H HA -0.082 4.471 4.556 -0.005 0.000 0.301 183 H C 2.235 177.513 175.328 -0.083 0.000 1.082 183 H CA 1.315 57.228 56.048 -0.226 0.000 1.342 183 H CB 0.138 29.768 29.762 -0.221 0.000 1.389 183 H HN 0.394 nan 8.280 nan 0.000 0.511 184 R N 0.899 121.439 120.500 0.067 0.000 2.148 184 R HA -0.028 4.309 4.340 -0.005 0.000 0.223 184 R C 0.390 176.719 176.300 0.048 0.000 1.088 184 R CA 1.367 57.494 56.100 0.045 0.000 0.985 184 R CB 0.059 30.377 30.300 0.031 0.000 0.880 184 R HN 0.206 nan 8.270 nan 0.000 0.451 185 N N 0.259 118.992 118.700 0.054 0.000 2.685 185 N HA 0.204 4.941 4.740 -0.005 0.000 0.252 185 N C -2.440 173.125 175.510 0.091 0.000 1.261 185 N CA -1.577 51.513 53.050 0.066 0.000 0.768 185 N CB 1.856 40.377 38.487 0.057 0.000 1.304 185 N HN -0.158 nan 8.380 nan 0.000 0.536 186 P HA -0.104 nan 4.420 nan 0.000 0.226 186 P C 0.387 177.779 177.300 0.154 0.000 1.146 186 P CA 1.092 64.309 63.100 0.194 0.000 0.773 186 P CB 0.210 32.043 31.700 0.221 0.000 0.772 187 K N -1.711 118.757 120.400 0.113 0.000 2.404 187 K HA 0.098 4.415 4.320 -0.005 0.000 0.194 187 K C 0.224 176.887 176.600 0.105 0.000 1.023 187 K CA 0.147 56.494 56.287 0.100 0.000 1.094 187 K CB -0.236 32.310 32.500 0.075 0.000 0.841 187 K HN 0.076 nan 8.250 nan 0.000 0.523 188 T N 2.824 117.444 114.554 0.109 0.000 2.800 188 T HA -0.035 4.312 4.350 -0.005 0.000 0.283 188 T C 0.328 175.122 174.700 0.157 0.000 0.999 188 T CA 0.738 62.906 62.100 0.113 0.000 1.176 188 T CB 0.183 69.116 68.868 0.107 0.000 0.973 188 T HN 0.167 nan 8.240 nan 0.000 0.519 189 R N 1.661 122.240 120.500 0.132 0.000 2.691 189 R HA 0.482 4.819 4.340 -0.005 0.000 0.259 189 R C 0.550 176.924 176.300 0.124 0.000 1.048 189 R CA -1.139 55.045 56.100 0.140 0.000 1.086 189 R CB 1.124 31.455 30.300 0.051 0.000 1.166 189 R HN 0.523 nan 8.270 nan 0.000 0.526 190 R N 0.069 120.573 120.500 0.007 0.000 2.583 190 R HA -0.006 4.331 4.340 -0.005 0.000 0.274 190 R C 0.534 176.797 176.300 -0.062 0.000 0.998 190 R CA 1.795 57.822 56.100 -0.122 0.000 1.081 190 R CB 0.036 29.944 30.300 -0.654 0.000 0.940 190 R HN 0.878 nan 8.270 nan 0.000 0.413 191 G N 2.895 111.690 108.800 -0.007 0.000 2.234 191 G HA2 -0.283 3.674 3.960 -0.005 0.000 0.235 191 G HA3 -0.283 3.674 3.960 -0.005 0.000 0.235 191 G C 0.558 175.458 174.900 0.000 0.000 0.997 191 G CA 0.399 45.488 45.100 -0.018 0.000 0.623 191 G HN 0.723 nan 8.290 nan 0.000 0.514 192 E N -0.134 120.081 120.200 0.026 0.000 2.340 192 E HA 0.095 4.443 4.350 -0.005 0.000 0.194 192 E C 0.782 177.399 176.600 0.029 0.000 0.996 192 E CA 0.292 56.708 56.400 0.027 0.000 0.869 192 E CB 0.331 30.056 29.700 0.041 0.000 0.835 192 E HN 0.425 nan 8.360 nan 0.000 0.493 193 N N 0.684 119.410 118.700 0.042 0.000 2.336 193 N HA -0.021 4.716 4.740 -0.005 0.000 0.290 193 N C 0.402 175.902 175.510 -0.017 0.000 1.058 193 N CA 0.014 53.083 53.050 0.030 0.000 0.865 193 N CB 1.866 40.405 38.487 0.087 0.000 1.581 193 N HN 0.018 nan 8.380 nan 0.000 0.480 194 E N 2.323 122.427 120.200 -0.159 0.000 2.110 194 E HA -0.158 4.189 4.350 -0.005 0.000 0.193 194 E C 0.661 177.062 176.600 -0.332 0.000 0.988 194 E CA 1.099 57.301 56.400 -0.330 0.000 0.804 194 E CB -0.144 29.200 29.700 -0.593 0.000 0.745 194 E HN 0.682 nan 8.360 nan 0.000 0.458 195 W N 1.021 122.342 121.300 0.035 0.000 2.443 195 W HA 0.004 4.661 4.660 -0.005 0.000 0.296 195 W C 2.426 178.969 176.519 0.039 0.000 1.202 195 W CA 0.230 57.596 57.345 0.035 0.000 1.312 195 W CB -0.270 29.196 29.460 0.010 0.000 1.120 195 W HN -0.104 nan 8.180 nan 0.000 0.536 196 V N 0.772 120.824 119.914 0.229 0.000 2.407 196 V HA -0.288 3.829 4.120 -0.005 0.000 0.248 196 V C 1.590 177.791 176.094 0.178 0.000 1.055 196 V CA 2.046 64.432 62.300 0.142 0.000 1.049 196 V CB -0.772 31.138 31.823 0.145 0.000 0.662 196 V HN 0.080 nan 8.190 nan 0.000 0.455 197 D N -0.245 120.272 120.400 0.195 0.000 2.218 197 D HA -0.107 4.530 4.640 -0.005 0.000 0.204 197 D C 2.206 178.627 176.300 0.202 0.000 0.976 197 D CA 0.731 54.870 54.000 0.233 0.000 0.853 197 D CB -0.135 40.730 40.800 0.108 0.000 0.939 197 D HN 0.297 nan 8.370 nan 0.000 0.481 198 K N 0.399 120.901 120.400 0.171 0.000 2.155 198 K HA -0.012 4.305 4.320 -0.005 0.000 0.203 198 K C 1.936 178.684 176.600 0.247 0.000 1.052 198 K CA 0.250 56.665 56.287 0.214 0.000 0.948 198 K CB -0.084 32.588 32.500 0.286 0.000 0.728 198 K HN 0.226 nan 8.250 nan 0.000 0.448 199 I N -0.920 119.725 120.570 0.125 0.000 2.315 199 I HA -0.193 3.974 4.170 -0.005 0.000 0.248 199 I C 2.047 178.076 176.117 -0.146 0.000 1.117 199 I CA 0.876 62.119 61.300 -0.095 0.000 1.404 199 I CB -1.176 36.651 38.000 -0.290 0.000 1.071 199 I HN 0.173 nan 8.210 nan 0.000 0.419 200 W N 1.700 123.018 121.300 0.030 0.000 2.402 200 W HA -0.129 4.528 4.660 -0.005 0.000 0.286 200 W C 2.556 179.096 176.519 0.036 0.000 1.221 200 W CA 0.593 57.950 57.345 0.020 0.000 1.257 200 W CB -0.155 29.316 29.460 0.017 0.000 1.120 200 W HN 0.183 nan 8.180 nan 0.000 0.551 201 E N -0.088 120.267 120.200 0.259 0.000 2.110 201 E HA -0.242 4.105 4.350 -0.005 0.000 0.193 201 E C 2.021 178.716 176.600 0.158 0.000 0.988 201 E CA 1.266 57.777 56.400 0.185 0.000 0.804 201 E CB -0.404 29.383 29.700 0.146 0.000 0.745 201 E HN 0.166 nan 8.360 nan 0.000 0.458 202 L N 0.845 122.159 121.223 0.152 0.000 2.056 202 L HA -0.137 4.200 4.340 -0.005 0.000 0.207 202 L C 2.011 178.908 176.870 0.046 0.000 1.078 202 L CA 1.476 56.384 54.840 0.114 0.000 0.749 202 L CB -0.304 41.806 42.059 0.085 0.000 0.901 202 L HN 0.098 nan 8.230 nan 0.000 0.433 203 L N -0.554 120.675 121.223 0.011 0.000 2.083 203 L HA -0.209 4.128 4.340 -0.005 0.000 0.209 203 L C 2.197 179.152 176.870 0.141 0.000 1.083 203 L CA 1.259 56.112 54.840 0.021 0.000 0.752 203 L CB -0.774 41.277 42.059 -0.013 0.000 0.899 203 L HN 0.278 nan 8.230 nan 0.000 0.433 204 D N 0.026 120.545 120.400 0.197 0.000 2.144 204 D HA -0.140 4.497 4.640 -0.005 0.000 0.199 204 D C 2.230 178.614 176.300 0.141 0.000 0.984 204 D CA 1.422 55.529 54.000 0.178 0.000 0.834 204 D CB -0.036 40.861 40.800 0.162 0.000 0.955 204 D HN 0.308 nan 8.370 nan 0.000 0.465 205 A N 0.885 123.778 122.820 0.122 0.000 1.898 205 A HA -0.132 4.185 4.320 -0.005 0.000 0.216 205 A C 2.165 179.838 177.584 0.149 0.000 1.181 205 A CA 0.774 52.882 52.037 0.118 0.000 0.620 205 A CB -0.446 18.601 19.000 0.079 0.000 0.819 205 A HN 0.110 nan 8.150 nan 0.000 0.442 206 I N 0.549 121.182 120.570 0.105 0.000 2.179 206 I HA -0.203 3.964 4.170 -0.005 0.000 0.242 206 I C 1.902 178.119 176.117 0.168 0.000 1.088 206 I CA 1.623 62.977 61.300 0.090 0.000 1.357 206 I CB -1.527 36.414 38.000 -0.098 0.000 1.051 206 I HN 0.281 nan 8.210 nan 0.000 0.409 207 D N 0.738 121.255 120.400 0.195 0.000 2.116 207 D HA -0.207 4.430 4.640 -0.005 0.000 0.193 207 D C 2.145 178.535 176.300 0.150 0.000 0.998 207 D CA 1.440 55.582 54.000 0.237 0.000 0.836 207 D CB 0.013 40.938 40.800 0.207 0.000 0.951 207 D HN 0.301 nan 8.370 nan 0.000 0.449 208 E N -1.285 118.997 120.200 0.138 0.000 2.190 208 E HA -0.010 4.337 4.350 -0.005 0.000 0.191 208 E C 1.676 178.341 176.600 0.107 0.000 0.978 208 E CA 0.232 56.697 56.400 0.108 0.000 0.839 208 E CB -0.146 29.622 29.700 0.113 0.000 0.787 208 E HN 0.392 nan 8.360 nan 0.000 0.473 209 Y N 0.039 120.347 120.300 0.013 0.000 2.389 209 Y HA 0.254 4.801 4.550 -0.005 0.000 0.292 209 Y C 0.244 176.065 175.900 -0.132 0.000 1.117 209 Y CA 0.328 58.419 58.100 -0.015 0.000 1.195 209 Y CB 0.614 39.097 38.460 0.039 0.000 1.076 209 Y HN -0.170 nan 8.280 nan 0.000 0.548 210 I N 4.958 125.482 120.570 -0.077 0.000 2.291 210 I HA 0.190 4.357 4.170 -0.005 0.000 0.292 210 I C -2.164 173.777 176.117 -0.293 0.000 1.064 210 I CA -2.047 59.089 61.300 -0.274 0.000 1.269 210 I CB 0.681 38.703 38.000 0.036 0.000 1.418 210 I HN 0.042 nan 8.210 nan 0.000 0.485 211 P HA 0.092 nan 4.420 nan 0.000 0.274 211 P C -0.402 176.821 177.300 -0.128 0.000 1.237 211 P CA -0.312 62.621 63.100 -0.279 0.000 0.793 211 P CB 0.636 32.147 31.700 -0.315 0.000 0.977 212 T N 3.598 118.117 114.554 -0.058 0.000 2.779 212 T HA 0.243 4.591 4.350 -0.005 0.000 0.296 212 T C -1.946 172.758 174.700 0.006 0.000 0.938 212 T CA -0.535 61.559 62.100 -0.012 0.000 1.119 212 T CB -0.692 68.170 68.868 -0.009 0.000 0.891 212 T HN 0.362 nan 8.240 nan 0.000 0.526 213 P HA 0.126 nan 4.420 nan 0.000 0.268 213 P C -0.493 176.832 177.300 0.041 0.000 1.208 213 P CA -0.457 62.676 63.100 0.055 0.000 0.777 213 P CB 0.315 32.058 31.700 0.072 0.000 0.875 214 V N 0.576 120.516 119.914 0.044 0.000 2.247 214 V HA 0.348 4.465 4.120 -0.005 0.000 0.262 214 V C 0.339 176.454 176.094 0.035 0.000 1.096 214 V CA -1.070 61.250 62.300 0.034 0.000 0.895 214 V CB -0.105 31.737 31.823 0.031 0.000 1.141 214 V HN 0.316 nan 8.190 nan 0.000 0.478 215 R N 3.565 124.085 120.500 0.033 0.000 2.494 215 R HA 0.054 4.391 4.340 -0.005 0.000 0.291 215 R C 0.100 176.419 176.300 0.030 0.000 0.953 215 R CA 0.376 56.496 56.100 0.033 0.000 1.098 215 R CB 0.122 30.440 30.300 0.029 0.000 0.911 215 R HN 0.921 nan 8.270 nan 0.000 0.407 216 D N 2.565 122.984 120.400 0.032 0.000 2.468 216 D HA 0.042 4.679 4.640 -0.005 0.000 0.218 216 D C 1.059 177.379 176.300 0.034 0.000 1.155 216 D CA -0.426 53.592 54.000 0.029 0.000 0.924 216 D CB 0.655 41.471 40.800 0.026 0.000 1.029 216 D HN 0.295 nan 8.370 nan 0.000 0.515 217 V N -1.335 118.600 119.914 0.034 0.000 3.608 217 V HA 0.016 4.134 4.120 -0.005 0.000 0.269 217 V C 0.755 176.872 176.094 0.039 0.000 1.245 217 V CA 0.398 62.723 62.300 0.041 0.000 1.138 217 V CB -0.039 31.802 31.823 0.031 0.000 0.841 217 V HN 0.082 nan 8.190 nan 0.000 0.451 218 D N 1.192 121.610 120.400 0.030 0.000 2.363 218 D HA 0.114 4.751 4.640 -0.005 0.000 0.226 218 D C 0.720 177.037 176.300 0.029 0.000 1.020 218 D CA 0.616 54.631 54.000 0.026 0.000 0.892 218 D CB 0.160 40.972 40.800 0.019 0.000 0.900 218 D HN 0.602 nan 8.370 nan 0.000 0.531 219 K N 0.662 121.083 120.400 0.036 0.000 2.106 219 K HA 0.423 4.740 4.320 -0.005 0.000 0.246 219 K C -2.538 174.093 176.600 0.052 0.000 0.987 219 K CA -1.880 54.427 56.287 0.034 0.000 0.904 219 K CB 0.599 33.113 32.500 0.024 0.000 1.071 219 K HN -0.236 nan 8.250 nan 0.000 0.453 220 P HA -0.069 nan 4.420 nan 0.000 0.265 220 P C -0.693 176.663 177.300 0.093 0.000 1.193 220 P CA 0.008 63.149 63.100 0.068 0.000 0.765 220 P CB 0.191 31.914 31.700 0.037 0.000 0.823 221 F N 4.849 124.793 119.950 -0.009 0.000 2.623 221 F HA 0.162 4.688 4.527 -0.002 0.000 0.383 221 F C -0.272 175.522 175.800 -0.011 0.000 1.077 221 F CA 0.290 58.283 58.000 -0.011 0.000 1.268 221 F CB 0.122 39.113 39.000 -0.015 0.000 1.053 221 F HN 0.170 nan 8.300 nan 0.000 0.571 222 L N 9.168 129.884 121.223 -0.845 0.000 2.562 222 L HA 0.437 4.774 4.340 -0.005 0.000 0.266 222 L C -1.683 174.722 176.870 -0.775 0.000 0.949 222 L CA -0.639 53.756 54.840 -0.741 0.000 0.879 222 L CB 1.571 43.447 42.059 -0.304 0.000 1.278 222 L HN 0.859 nan 8.230 nan 0.000 0.404 223 M N 8.216 127.376 119.600 -0.733 0.000 2.124 223 M HA 0.534 5.011 4.480 -0.005 0.000 0.280 223 M C -2.817 173.372 176.300 -0.184 0.000 0.954 223 M CA -1.512 53.572 55.300 -0.359 0.000 0.958 223 M CB 2.570 35.046 32.600 -0.207 0.000 1.611 223 M HN 0.239 nan 8.290 nan 0.000 0.449 224 P HA 0.156 nan 4.420 nan 0.000 0.276 224 P C -0.791 176.490 177.300 -0.031 0.000 1.230 224 P CA -0.264 62.802 63.100 -0.057 0.000 0.776 224 P CB 1.091 32.779 31.700 -0.021 0.000 0.888 225 V N 3.652 123.550 119.914 -0.027 0.000 2.488 225 V HA 0.050 4.167 4.120 -0.005 0.000 0.277 225 V C 1.658 177.751 176.094 -0.001 0.000 1.046 225 V CA 0.517 62.806 62.300 -0.019 0.000 0.986 225 V CB 0.738 32.544 31.823 -0.029 0.000 0.989 225 V HN 0.621 nan 8.190 nan 0.000 0.475 226 E N 2.856 123.061 120.200 0.008 0.000 2.256 226 E HA 0.117 4.464 4.350 -0.005 0.000 0.198 226 E C 0.130 176.754 176.600 0.039 0.000 0.908 226 E CA 0.656 57.075 56.400 0.031 0.000 0.915 226 E CB 0.538 30.267 29.700 0.048 0.000 0.890 226 E HN 0.786 nan 8.360 nan 0.000 0.484 227 D N -0.509 119.908 120.400 0.027 0.000 2.645 227 D HA 0.415 5.052 4.640 -0.005 0.000 0.228 227 D C -1.195 175.057 176.300 -0.079 0.000 1.148 227 D CA -0.585 53.446 54.000 0.053 0.000 0.860 227 D CB 2.597 43.508 40.800 0.185 0.000 1.548 227 D HN -0.134 nan 8.370 nan 0.000 0.460 228 V N 1.852 121.731 119.914 -0.058 0.000 2.733 228 V HA 0.622 4.739 4.120 -0.005 0.000 0.306 228 V C -0.946 175.102 176.094 -0.077 0.000 1.084 228 V CA -0.769 61.404 62.300 -0.211 0.000 0.905 228 V CB 1.511 33.276 31.823 -0.096 0.000 1.010 228 V HN 0.565 nan 8.190 nan 0.000 0.424 229 F N 0.582 120.537 119.950 0.008 0.000 2.779 229 F HA 0.803 5.327 4.527 -0.006 0.000 0.316 229 F C -0.487 175.317 175.800 0.005 0.000 1.164 229 F CA -1.069 56.935 58.000 0.007 0.000 0.924 229 F CB 1.515 40.520 39.000 0.007 0.000 1.348 229 F HN 0.208 nan 8.300 nan 0.000 0.467 230 T N 3.307 118.047 114.554 0.310 0.000 2.758 230 T HA 0.570 4.917 4.350 -0.005 0.000 0.285 230 T C -0.581 174.248 174.700 0.215 0.000 0.981 230 T CA -0.324 61.888 62.100 0.186 0.000 0.965 230 T CB 0.786 69.714 68.868 0.101 0.000 0.927 230 T HN 0.375 nan 8.240 nan 0.000 0.448 231 I N 3.687 124.377 120.570 0.198 0.000 2.331 231 I HA 0.195 4.362 4.170 -0.005 0.000 0.292 231 I C 1.034 177.196 176.117 0.076 0.000 0.998 231 I CA -0.594 60.794 61.300 0.145 0.000 1.267 231 I CB 0.968 39.070 38.000 0.170 0.000 1.386 231 I HN 0.587 nan 8.210 nan 0.000 0.476 232 T N 5.319 119.902 114.554 0.047 0.000 2.866 232 T HA 0.203 4.550 4.350 -0.005 0.000 0.293 232 T C 1.257 175.973 174.700 0.027 0.000 1.005 232 T CA 0.876 62.994 62.100 0.030 0.000 1.162 232 T CB 0.307 69.185 68.868 0.016 0.000 0.968 232 T HN 1.030 nan 8.240 nan 0.000 0.530 233 G N 3.122 111.935 108.800 0.023 0.000 2.168 233 G HA2 -0.317 3.640 3.960 -0.005 0.000 0.263 233 G HA3 -0.317 3.640 3.960 -0.005 0.000 0.263 233 G C 0.953 175.865 174.900 0.020 0.000 0.977 233 G CA 0.713 45.824 45.100 0.018 0.000 0.659 233 G HN 0.701 nan 8.290 nan 0.000 0.533 234 R N -1.110 119.407 120.500 0.028 0.000 2.437 234 R HA 0.499 4.836 4.340 -0.005 0.000 0.184 234 R C 1.337 177.651 176.300 0.024 0.000 0.850 234 R CA 0.847 56.964 56.100 0.027 0.000 1.073 234 R CB 0.711 31.035 30.300 0.040 0.000 1.336 234 R HN 1.364 nan 8.270 nan 0.000 0.640 235 G N 0.220 109.041 108.800 0.034 0.000 2.280 235 G HA2 -0.163 3.794 3.960 -0.005 0.000 0.277 235 G HA3 -0.163 3.794 3.960 -0.005 0.000 0.277 235 G C -1.025 173.889 174.900 0.023 0.000 1.288 235 G CA -0.800 44.314 45.100 0.022 0.000 1.075 235 G HN 0.015 nan 8.290 nan 0.000 0.480 236 T N 0.804 115.355 114.554 -0.006 0.000 2.761 236 T HA 0.524 4.871 4.350 -0.005 0.000 0.296 236 T C 0.077 174.721 174.700 -0.092 0.000 0.934 236 T CA -0.049 62.028 62.100 -0.038 0.000 1.091 236 T CB 1.225 70.070 68.868 -0.038 0.000 0.896 236 T HN 0.878 nan 8.240 nan 0.000 0.515 237 V N 3.037 122.832 119.914 -0.198 0.000 2.448 237 V HA 0.722 4.840 4.120 -0.005 0.000 0.295 237 V C 0.124 175.928 176.094 -0.482 0.000 1.025 237 V CA -1.018 61.093 62.300 -0.315 0.000 0.859 237 V CB 1.484 33.097 31.823 -0.349 0.000 0.988 237 V HN 1.026 nan 8.190 nan 0.000 0.431 238 A N 3.594 126.242 122.820 -0.287 0.000 2.304 238 A HA 0.858 5.175 4.320 -0.005 0.000 0.323 238 A C 0.186 177.661 177.584 -0.181 0.000 1.195 238 A CA -0.335 51.562 52.037 -0.234 0.000 0.826 238 A CB 1.197 20.129 19.000 -0.114 0.000 1.184 238 A HN 0.924 nan 8.150 nan 0.000 0.496 239 T N -0.424 114.033 114.554 -0.163 0.000 2.940 239 T HA 0.916 5.263 4.350 -0.005 0.000 0.288 239 T C 0.100 174.792 174.700 -0.014 0.000 1.033 239 T CA -0.118 61.944 62.100 -0.063 0.000 1.033 239 T CB 1.863 70.725 68.868 -0.011 0.000 1.079 239 T HN 2.172 nan 8.240 nan 0.000 0.496 240 G N 0.387 109.193 108.800 0.011 0.000 2.313 240 G HA2 0.443 4.400 3.960 -0.005 0.000 0.296 240 G HA3 0.443 4.400 3.960 -0.005 0.000 0.296 240 G C -1.812 173.102 174.900 0.023 0.000 1.356 240 G CA -1.185 43.926 45.100 0.018 0.000 0.833 240 G HN 0.826 nan 8.290 nan 0.000 0.552 241 R N 0.293 120.807 120.500 0.022 0.000 2.255 241 R HA 0.564 4.901 4.340 -0.005 0.000 0.326 241 R C 0.103 176.413 176.300 0.017 0.000 0.986 241 R CA -0.735 55.380 56.100 0.024 0.000 0.847 241 R CB 0.515 30.834 30.300 0.032 0.000 1.111 241 R HN 0.445 nan 8.270 nan 0.000 0.452 242 I N 4.090 124.682 120.570 0.037 0.000 2.668 242 I HA -0.100 4.067 4.170 -0.005 0.000 0.285 242 I C 1.465 177.586 176.117 0.006 0.000 1.168 242 I CA 0.579 61.903 61.300 0.040 0.000 1.424 242 I CB 0.990 39.079 38.000 0.148 0.000 1.377 242 I HN 0.806 nan 8.210 nan 0.000 0.560 243 E N 6.481 126.651 120.200 -0.049 0.000 2.127 243 E HA 0.104 4.451 4.350 -0.005 0.000 0.191 243 E C 0.236 176.824 176.600 -0.020 0.000 0.964 243 E CA 0.464 56.845 56.400 -0.032 0.000 0.832 243 E CB 0.572 30.241 29.700 -0.052 0.000 0.790 243 E HN 0.569 nan 8.360 nan 0.000 0.465 244 R N -1.132 119.342 120.500 -0.043 0.000 2.740 244 R HA 0.486 4.823 4.340 -0.005 0.000 0.273 244 R C -0.044 176.297 176.300 0.069 0.000 0.998 244 R CA -0.282 55.817 56.100 -0.001 0.000 0.900 244 R CB 1.992 32.276 30.300 -0.026 0.000 1.223 244 R HN 0.270 nan 8.270 nan 0.000 0.466 245 G N 1.833 110.692 108.800 0.098 0.000 2.569 245 G HA2 -0.322 3.635 3.960 -0.005 0.000 0.259 245 G HA3 -0.322 3.635 3.960 -0.005 0.000 0.259 245 G C -1.005 174.016 174.900 0.201 0.000 1.263 245 G CA 0.374 45.569 45.100 0.157 0.000 0.928 245 G HN 0.728 nan 8.290 nan 0.000 0.572 246 K N -2.272 118.245 120.400 0.196 0.000 2.522 246 K HA 0.818 5.135 4.320 -0.005 0.000 0.275 246 K C -1.468 174.997 176.600 -0.226 0.000 1.006 246 K CA -0.835 55.484 56.287 0.054 0.000 0.890 246 K CB 2.583 35.080 32.500 -0.006 0.000 1.475 246 K HN 1.515 nan 8.250 nan 0.000 0.441 247 V N 0.866 120.557 119.914 -0.373 0.000 2.888 247 V HA 0.648 4.766 4.120 -0.005 0.000 0.309 247 V C -1.926 173.979 176.094 -0.315 0.000 1.114 247 V CA -0.417 61.514 62.300 -0.615 0.000 0.940 247 V CB 2.039 33.153 31.823 -1.183 0.000 1.021 247 V HN 0.936 nan 8.190 nan 0.000 0.426 248 K N 3.844 124.089 120.400 -0.258 0.000 2.533 248 K HA 0.729 5.046 4.320 -0.005 0.000 0.272 248 K C -1.365 175.153 176.600 -0.137 0.000 0.985 248 K CA -0.918 55.273 56.287 -0.159 0.000 0.876 248 K CB 1.986 34.416 32.500 -0.116 0.000 1.452 248 K HN 0.400 nan 8.250 nan 0.000 0.439 249 V N 1.465 121.320 119.914 -0.098 0.000 2.644 249 V HA 0.145 4.262 4.120 -0.005 0.000 0.305 249 V C 1.432 177.483 176.094 -0.072 0.000 1.053 249 V CA 2.125 64.378 62.300 -0.077 0.000 1.186 249 V CB 0.050 31.840 31.823 -0.057 0.000 0.895 249 V HN 1.139 nan 8.190 nan 0.000 0.490 250 G N 3.811 112.572 108.800 -0.065 0.000 2.254 250 G HA2 -0.184 3.773 3.960 -0.005 0.000 0.225 250 G HA3 -0.184 3.773 3.960 -0.005 0.000 0.225 250 G C -0.052 174.812 174.900 -0.060 0.000 1.003 250 G CA 0.001 45.068 45.100 -0.055 0.000 0.622 250 G HN 0.674 nan 8.290 nan 0.000 0.507 251 D N 2.177 122.525 120.400 -0.086 0.000 2.424 251 D HA 0.419 5.056 4.640 -0.005 0.000 0.244 251 D C 0.592 176.853 176.300 -0.066 0.000 1.134 251 D CA 0.279 54.224 54.000 -0.091 0.000 0.881 251 D CB 0.679 41.383 40.800 -0.160 0.000 1.191 251 D HN 0.344 nan 8.370 nan 0.000 0.445 252 E N 0.710 120.887 120.200 -0.039 0.000 2.283 252 E HA 0.361 4.709 4.350 -0.005 0.000 0.278 252 E C -0.088 176.516 176.600 0.006 0.000 1.027 252 E CA -0.575 55.815 56.400 -0.016 0.000 0.843 252 E CB 1.699 31.395 29.700 -0.008 0.000 1.062 252 E HN 0.275 nan 8.360 nan 0.000 0.401 253 V N -0.626 119.303 119.914 0.024 0.000 3.049 253 V HA 0.531 4.648 4.120 -0.005 0.000 0.309 253 V C -0.423 175.700 176.094 0.047 0.000 1.148 253 V CA -1.046 61.298 62.300 0.073 0.000 0.990 253 V CB 2.197 34.101 31.823 0.135 0.000 1.039 253 V HN 0.528 nan 8.190 nan 0.000 0.430 254 E N 1.929 122.158 120.200 0.048 0.000 2.202 254 E HA 0.646 4.993 4.350 -0.005 0.000 0.272 254 E C -1.200 175.404 176.600 0.007 0.000 0.951 254 E CA -0.819 55.589 56.400 0.014 0.000 0.813 254 E CB 2.550 32.250 29.700 -0.001 0.000 1.151 254 E HN 0.697 nan 8.360 nan 0.000 0.398 255 I N 3.023 123.588 120.570 -0.010 0.000 2.330 255 I HA 0.214 4.381 4.170 -0.005 0.000 0.286 255 I C -0.794 175.301 176.117 -0.038 0.000 1.025 255 I CA -0.665 60.623 61.300 -0.020 0.000 1.197 255 I CB 1.073 39.062 38.000 -0.019 0.000 1.358 255 I HN 0.107 nan 8.210 nan 0.000 0.467 256 V N 5.445 125.328 119.914 -0.051 0.000 2.459 256 V HA 0.923 5.040 4.120 -0.005 0.000 0.295 256 V C 0.482 176.529 176.094 -0.078 0.000 1.029 256 V CA -0.440 61.818 62.300 -0.070 0.000 0.874 256 V CB 1.124 32.899 31.823 -0.081 0.000 0.985 256 V HN 1.035 nan 8.190 nan 0.000 0.438 257 G N 2.684 111.432 108.800 -0.087 0.000 2.570 257 G HA2 0.075 4.032 3.960 -0.005 0.000 0.686 257 G HA3 0.075 4.032 3.960 -0.005 0.000 0.686 257 G C -0.137 174.724 174.900 -0.066 0.000 1.257 257 G CA -0.401 44.645 45.100 -0.089 0.000 0.846 257 G HN 1.268 nan 8.290 nan 0.000 0.627 258 L N -1.940 119.245 121.223 -0.062 0.000 4.373 258 L HA -0.312 4.025 4.340 -0.005 0.000 0.371 258 L C 2.043 178.890 176.870 -0.039 0.000 1.222 258 L CA 2.372 57.185 54.840 -0.044 0.000 2.643 258 L CB -1.719 40.320 42.059 -0.033 0.000 1.094 258 L HN 2.360 nan 8.230 nan 0.000 0.692 259 A N -0.098 122.698 122.820 -0.040 0.000 2.287 259 A HA 0.502 4.819 4.320 -0.005 0.000 0.273 259 A C -1.226 176.334 177.584 -0.040 0.000 1.091 259 A CA -0.287 51.729 52.037 -0.035 0.000 0.817 259 A CB -0.048 18.933 19.000 -0.032 0.000 1.069 259 A HN 0.149 nan 8.150 nan 0.000 0.492 260 P HA -0.019 nan 4.420 nan 0.000 0.220 260 P C -0.098 177.178 177.300 -0.040 0.000 1.148 260 P CA 1.275 64.354 63.100 -0.034 0.000 0.803 260 P CB 0.245 31.930 31.700 -0.026 0.000 0.782 261 E N -2.495 117.682 120.200 -0.039 0.000 2.383 261 E HA 0.284 4.631 4.350 -0.005 0.000 0.275 261 E C -0.805 175.769 176.600 -0.044 0.000 0.918 261 E CA -0.662 55.713 56.400 -0.042 0.000 0.764 261 E CB 1.597 31.277 29.700 -0.033 0.000 1.252 261 E HN -0.302 nan 8.360 nan 0.000 0.449 262 T N 1.740 116.265 114.554 -0.048 0.000 2.901 262 T HA 0.188 4.535 4.350 -0.005 0.000 0.301 262 T C 0.003 174.683 174.700 -0.033 0.000 1.012 262 T CA 0.113 62.186 62.100 -0.046 0.000 1.135 262 T CB 0.456 69.293 68.868 -0.052 0.000 0.936 262 T HN 0.219 nan 8.240 nan 0.000 0.539 263 R N 1.794 122.277 120.500 -0.028 0.000 2.604 263 R HA 0.519 4.856 4.340 -0.005 0.000 0.287 263 R C -0.502 175.789 176.300 -0.015 0.000 0.970 263 R CA -0.813 55.275 56.100 -0.021 0.000 0.946 263 R CB 0.944 31.232 30.300 -0.020 0.000 1.127 263 R HN 0.499 nan 8.270 nan 0.000 0.473 264 K N 1.852 122.244 120.400 -0.012 0.000 2.324 264 K HA 0.378 4.696 4.320 -0.005 0.000 0.253 264 K C -1.414 175.182 176.600 -0.007 0.000 0.932 264 K CA -0.383 55.900 56.287 -0.007 0.000 0.799 264 K CB 2.195 34.691 32.500 -0.008 0.000 1.154 264 K HN 0.633 nan 8.250 nan 0.000 0.425 265 T N 1.122 115.673 114.554 -0.004 0.000 2.648 265 T HA 0.450 4.797 4.350 -0.005 0.000 0.304 265 T C -1.710 172.984 174.700 -0.011 0.000 1.312 265 T CA -0.491 61.603 62.100 -0.009 0.000 1.023 265 T CB 1.325 70.186 68.868 -0.011 0.000 1.612 265 T HN 0.223 nan 8.240 nan 0.000 0.487 266 V N 1.735 121.638 119.914 -0.018 0.000 2.628 266 V HA 0.595 4.712 4.120 -0.005 0.000 0.306 266 V C -0.087 175.986 176.094 -0.035 0.000 1.045 266 V CA -0.755 61.529 62.300 -0.027 0.000 0.905 266 V CB 1.868 33.674 31.823 -0.027 0.000 0.997 266 V HN 0.734 nan 8.190 nan 0.000 0.436 267 V N 3.722 123.605 119.914 -0.052 0.000 2.488 267 V HA 0.236 4.353 4.120 -0.005 0.000 0.277 267 V C 1.180 177.239 176.094 -0.058 0.000 1.046 267 V CA 0.593 62.854 62.300 -0.065 0.000 0.986 267 V CB 1.297 33.054 31.823 -0.110 0.000 0.989 267 V HN 1.124 nan 8.190 nan 0.000 0.475 268 T N 0.281 114.806 114.554 -0.048 0.000 3.132 268 T HA 0.545 4.892 4.350 -0.005 0.000 0.274 268 T C 0.412 175.089 174.700 -0.038 0.000 1.011 268 T CA 0.239 62.315 62.100 -0.040 0.000 0.899 268 T CB 0.333 69.183 68.868 -0.029 0.000 1.089 268 T HN 1.125 nan 8.240 nan 0.000 0.543 269 G N 0.196 108.968 108.800 -0.046 0.000 2.429 269 G HA2 0.485 4.442 3.960 -0.005 0.000 0.300 269 G HA3 0.485 4.442 3.960 -0.005 0.000 0.300 269 G C -2.063 172.808 174.900 -0.048 0.000 1.598 269 G CA -0.596 44.479 45.100 -0.041 0.000 0.863 269 G HN 0.330 nan 8.290 nan 0.000 0.614 270 V N 0.652 120.537 119.914 -0.048 0.000 2.623 270 V HA 0.780 4.897 4.120 -0.005 0.000 0.304 270 V C -0.299 175.772 176.094 -0.039 0.000 1.054 270 V CA -0.670 61.599 62.300 -0.051 0.000 0.882 270 V CB 1.788 33.569 31.823 -0.071 0.000 1.002 270 V HN 0.980 nan 8.190 nan 0.000 0.424 271 E N 4.215 124.397 120.200 -0.030 0.000 2.340 271 E HA 0.757 5.104 4.350 -0.005 0.000 0.273 271 E C -1.558 175.020 176.600 -0.036 0.000 0.891 271 E CA -0.836 55.550 56.400 -0.022 0.000 0.757 271 E CB 2.553 32.257 29.700 0.007 0.000 1.231 271 E HN 0.710 nan 8.360 nan 0.000 0.439 272 M N 4.239 123.803 119.600 -0.060 0.000 2.238 272 M HA 0.274 4.751 4.480 -0.005 0.000 0.278 272 M C -1.346 174.913 176.300 -0.069 0.000 1.040 272 M CA -0.150 55.064 55.300 -0.143 0.000 0.969 272 M CB 0.973 33.403 32.600 -0.283 0.000 1.694 272 M HN 0.935 nan 8.290 nan 0.000 0.472 273 H N 4.153 123.212 119.070 -0.018 0.000 2.770 273 H HA -0.155 4.398 4.556 -0.005 0.000 0.309 273 H C 0.058 175.376 175.328 -0.017 0.000 1.206 273 H CA 0.461 56.496 56.048 -0.022 0.000 1.147 273 H CB -0.874 28.868 29.762 -0.035 0.000 1.422 273 H HN 0.844 nan 8.280 nan 0.000 0.420 274 R N -2.351 118.209 120.500 0.101 0.000 3.954 274 R HA -0.147 4.191 4.340 -0.005 0.000 0.422 274 R C -0.384 175.936 176.300 0.034 0.000 1.091 274 R CA 1.408 57.541 56.100 0.054 0.000 1.168 274 R CB -1.561 28.763 30.300 0.040 0.000 1.752 274 R HN 0.553 nan 8.270 nan 0.000 0.547 275 K N 1.142 121.557 120.400 0.026 0.000 2.235 275 K HA 0.341 4.658 4.320 -0.005 0.000 0.266 275 K C -0.087 176.503 176.600 -0.017 0.000 0.980 275 K CA -0.383 55.904 56.287 0.001 0.000 0.849 275 K CB 1.605 34.099 32.500 -0.010 0.000 1.098 275 K HN -0.139 nan 8.250 nan 0.000 0.445 276 T N 3.824 118.368 114.554 -0.016 0.000 2.834 276 T HA 0.158 4.505 4.350 -0.005 0.000 0.298 276 T C 0.230 174.908 174.700 -0.035 0.000 0.966 276 T CA -0.107 61.979 62.100 -0.022 0.000 1.141 276 T CB 0.121 68.978 68.868 -0.017 0.000 0.905 276 T HN 0.241 nan 8.240 nan 0.000 0.535 277 L N 3.365 124.562 121.223 -0.045 0.000 2.325 277 L HA 0.348 4.685 4.340 -0.005 0.000 0.278 277 L C 1.311 178.150 176.870 -0.052 0.000 1.023 277 L CA -1.014 53.794 54.840 -0.054 0.000 0.811 277 L CB 1.594 43.612 42.059 -0.068 0.000 1.249 277 L HN 0.482 nan 8.230 nan 0.000 0.431 278 Q N 0.922 120.692 119.800 -0.050 0.000 2.187 278 Q HA 0.067 4.404 4.340 -0.005 0.000 0.199 278 Q C -0.019 175.944 176.000 -0.061 0.000 0.957 278 Q CA 0.895 56.668 55.803 -0.049 0.000 0.857 278 Q CB 0.448 29.161 28.738 -0.041 0.000 0.929 278 Q HN 0.609 nan 8.270 nan 0.000 0.453 279 E N -1.212 118.949 120.200 -0.065 0.000 2.347 279 E HA 0.483 4.830 4.350 -0.005 0.000 0.285 279 E C -1.192 175.365 176.600 -0.072 0.000 0.925 279 E CA -0.350 56.004 56.400 -0.077 0.000 0.779 279 E CB 1.323 30.983 29.700 -0.068 0.000 1.233 279 E HN 0.137 nan 8.360 nan 0.000 0.414 280 G N 4.033 112.784 108.800 -0.082 0.000 2.356 280 G HA2 0.605 4.562 3.960 -0.005 0.000 0.298 280 G HA3 0.605 4.562 3.960 -0.005 0.000 0.298 280 G C -0.124 174.766 174.900 -0.017 0.000 1.145 280 G CA -0.533 44.537 45.100 -0.051 0.000 0.850 280 G HN 0.547 nan 8.290 nan 0.000 0.487 281 I N -0.602 119.971 120.570 0.005 0.000 3.108 281 I HA 0.848 5.015 4.170 -0.005 0.000 0.312 281 I C 0.499 176.649 176.117 0.056 0.000 1.095 281 I CA -1.583 59.738 61.300 0.035 0.000 1.000 281 I CB 2.086 40.093 38.000 0.012 0.000 1.229 281 I HN 0.617 nan 8.210 nan 0.000 0.454 282 A N 2.153 125.014 122.820 0.068 0.000 2.584 282 A HA 0.402 4.719 4.320 -0.005 0.000 0.239 282 A C 1.297 178.904 177.584 0.038 0.000 1.043 282 A CA 1.020 53.091 52.037 0.057 0.000 0.756 282 A CB -1.125 17.905 19.000 0.049 0.000 0.963 282 A HN 1.990 nan 8.150 nan 0.000 0.511 283 G N 2.120 110.941 108.800 0.035 0.000 2.279 283 G HA2 -0.185 3.772 3.960 -0.005 0.000 0.223 283 G HA3 -0.185 3.772 3.960 -0.005 0.000 0.223 283 G C -0.022 174.887 174.900 0.015 0.000 1.015 283 G CA 0.241 45.360 45.100 0.031 0.000 0.621 283 G HN 0.816 nan 8.290 nan 0.000 0.506 284 D N 1.455 121.856 120.400 0.002 0.000 2.350 284 D HA 0.335 4.972 4.640 -0.005 0.000 0.249 284 D C 0.124 176.411 176.300 -0.023 0.000 1.119 284 D CA -0.022 53.959 54.000 -0.032 0.000 0.886 284 D CB 0.524 41.297 40.800 -0.046 0.000 1.195 284 D HN 0.240 nan 8.370 nan 0.000 0.437 285 N N 1.044 119.711 118.700 -0.056 0.000 2.434 285 N HA 0.324 5.061 4.740 -0.005 0.000 0.272 285 N C -0.464 175.003 175.510 -0.071 0.000 1.040 285 N CA -0.246 52.782 53.050 -0.036 0.000 0.956 285 N CB 1.496 39.970 38.487 -0.021 0.000 1.108 285 N HN 0.233 nan 8.380 nan 0.000 0.481 286 V N -0.564 119.334 119.914 -0.026 0.000 3.182 286 V HA 0.911 5.028 4.120 -0.005 0.000 0.308 286 V C -0.039 176.053 176.094 -0.003 0.000 1.240 286 V CA -0.943 61.339 62.300 -0.029 0.000 1.063 286 V CB 1.509 33.319 31.823 -0.021 0.000 1.076 286 V HN 0.515 nan 8.190 nan 0.000 0.446 287 G N -0.183 108.613 108.800 -0.007 0.000 2.513 287 G HA2 0.654 4.611 3.960 -0.005 0.000 0.317 287 G HA3 0.654 4.611 3.960 -0.005 0.000 0.317 287 G C -1.484 173.396 174.900 -0.033 0.000 1.277 287 G CA -0.718 44.370 45.100 -0.020 0.000 0.955 287 G HN 1.039 nan 8.290 nan 0.000 0.484 288 V N 2.944 122.827 119.914 -0.051 0.000 2.448 288 V HA 0.374 4.491 4.120 -0.005 0.000 0.295 288 V C -0.325 175.732 176.094 -0.061 0.000 1.025 288 V CA -0.831 61.443 62.300 -0.045 0.000 0.859 288 V CB 1.562 33.375 31.823 -0.016 0.000 0.988 288 V HN 0.711 nan 8.190 nan 0.000 0.431 289 L N 6.591 127.784 121.223 -0.050 0.000 2.331 289 L HA 0.515 4.852 4.340 -0.005 0.000 0.278 289 L C -0.597 176.248 176.870 -0.043 0.000 1.106 289 L CA 0.480 55.293 54.840 -0.045 0.000 0.824 289 L CB 0.642 42.684 42.059 -0.028 0.000 1.142 289 L HN 0.524 nan 8.230 nan 0.000 0.443 290 L N 5.532 126.730 121.223 -0.042 0.000 2.333 290 L HA 0.550 4.887 4.340 -0.005 0.000 0.280 290 L C 0.096 176.950 176.870 -0.026 0.000 1.004 290 L CA -0.737 54.083 54.840 -0.033 0.000 0.820 290 L CB 1.573 43.611 42.059 -0.034 0.000 1.247 290 L HN 0.619 nan 8.230 nan 0.000 0.416 291 R N 1.643 122.130 120.500 -0.022 0.000 2.543 291 R HA 0.382 4.719 4.340 -0.005 0.000 0.277 291 R C 1.138 177.429 176.300 -0.015 0.000 1.074 291 R CA 1.125 57.214 56.100 -0.018 0.000 1.076 291 R CB 0.703 30.993 30.300 -0.018 0.000 0.993 291 R HN 0.850 nan 8.270 nan 0.000 0.459 292 G N 2.401 111.193 108.800 -0.012 0.000 2.609 292 G HA2 -0.351 3.606 3.960 -0.005 0.000 0.235 292 G HA3 -0.351 3.606 3.960 -0.005 0.000 0.235 292 G C 0.131 175.024 174.900 -0.011 0.000 1.177 292 G CA 0.364 45.458 45.100 -0.011 0.000 0.707 292 G HN 0.850 nan 8.290 nan 0.000 0.513 293 V N 0.764 120.670 119.914 -0.013 0.000 2.775 293 V HA 0.738 4.855 4.120 -0.005 0.000 0.299 293 V C 0.755 176.841 176.094 -0.012 0.000 1.062 293 V CA 0.074 62.366 62.300 -0.014 0.000 1.063 293 V CB 1.331 33.143 31.823 -0.018 0.000 0.994 293 V HN 1.509 nan 8.190 nan 0.000 0.483 294 S N 3.890 119.584 115.700 -0.009 0.000 2.693 294 S HA 0.397 4.864 4.470 -0.005 0.000 0.276 294 S C 1.011 175.607 174.600 -0.007 0.000 1.192 294 S CA -0.254 57.944 58.200 -0.004 0.000 0.994 294 S CB 1.135 64.335 63.200 0.000 0.000 1.012 294 S HN 1.020 nan 8.310 nan 0.000 0.550 295 R N -0.119 120.382 120.500 0.002 0.000 2.237 295 R HA 0.035 4.372 4.340 -0.005 0.000 0.219 295 R C 0.614 176.914 176.300 0.000 0.000 1.080 295 R CA 1.271 57.370 56.100 -0.001 0.000 0.995 295 R CB -0.525 29.790 30.300 0.026 0.000 0.875 295 R HN 0.615 nan 8.270 nan 0.000 0.462 296 E N 1.140 121.341 120.200 0.003 0.000 2.502 296 E HA -0.024 4.323 4.350 -0.005 0.000 0.194 296 E C 0.543 177.140 176.600 -0.006 0.000 1.062 296 E CA 0.594 56.995 56.400 0.002 0.000 0.867 296 E CB 0.393 30.095 29.700 0.004 0.000 0.888 296 E HN 0.535 nan 8.360 nan 0.000 0.510 297 E N -0.155 120.038 120.200 -0.010 0.000 2.476 297 E HA 0.137 4.484 4.350 -0.005 0.000 0.196 297 E C -0.600 175.988 176.600 -0.020 0.000 1.029 297 E CA -0.012 56.379 56.400 -0.015 0.000 0.896 297 E CB 1.071 30.763 29.700 -0.014 0.000 1.012 297 E HN -0.067 nan 8.360 nan 0.000 0.475 298 V N 1.720 121.620 119.914 -0.023 0.000 2.808 298 V HA 0.335 4.452 4.120 -0.005 0.000 0.308 298 V C -0.539 175.538 176.094 -0.028 0.000 1.099 298 V CA -0.956 61.326 62.300 -0.030 0.000 0.920 298 V CB 2.135 33.932 31.823 -0.043 0.000 1.014 298 V HN 0.195 nan 8.190 nan 0.000 0.425 299 E N 2.638 122.823 120.200 -0.026 0.000 2.430 299 E HA 0.525 4.872 4.350 -0.005 0.000 0.279 299 E C -0.787 175.804 176.600 -0.015 0.000 1.003 299 E CA -1.222 55.168 56.400 -0.017 0.000 0.801 299 E CB 2.146 31.840 29.700 -0.010 0.000 1.313 299 E HN 0.545 nan 8.360 nan 0.000 0.459 300 R N 0.159 120.656 120.500 -0.004 0.000 2.537 300 R HA 0.189 4.526 4.340 -0.005 0.000 0.281 300 R C 0.770 177.068 176.300 -0.004 0.000 0.988 300 R CA 2.013 58.114 56.100 0.002 0.000 1.077 300 R CB -0.291 30.018 30.300 0.016 0.000 0.932 300 R HN 0.933 nan 8.270 nan 0.000 0.409 301 G N 2.269 111.068 108.800 -0.002 0.000 2.232 301 G HA2 -0.258 3.699 3.960 -0.005 0.000 0.226 301 G HA3 -0.258 3.699 3.960 -0.005 0.000 0.226 301 G C 0.015 174.906 174.900 -0.015 0.000 0.996 301 G CA 0.034 45.133 45.100 -0.002 0.000 0.626 301 G HN 0.613 nan 8.290 nan 0.000 0.509 302 Q N 0.046 119.831 119.800 -0.024 0.000 2.318 302 Q HA 0.600 4.937 4.340 -0.005 0.000 0.222 302 Q C 0.323 176.297 176.000 -0.044 0.000 1.003 302 Q CA 0.007 55.788 55.803 -0.038 0.000 0.936 302 Q CB 2.199 30.915 28.738 -0.037 0.000 1.204 302 Q HN 0.888 nan 8.270 nan 0.000 0.524 303 V N -1.420 118.459 119.914 -0.059 0.000 2.680 303 V HA 0.590 4.707 4.120 -0.005 0.000 0.309 303 V C -0.796 175.250 176.094 -0.079 0.000 1.052 303 V CA -1.038 61.213 62.300 -0.081 0.000 0.908 303 V CB 1.351 33.113 31.823 -0.102 0.000 1.001 303 V HN 0.572 nan 8.190 nan 0.000 0.431 304 L N 3.895 125.059 121.223 -0.098 0.000 2.307 304 L HA 0.945 5.282 4.340 -0.005 0.000 0.282 304 L C 0.324 177.101 176.870 -0.154 0.000 1.051 304 L CA -0.257 54.567 54.840 -0.027 0.000 0.804 304 L CB 1.442 43.573 42.059 0.119 0.000 1.197 304 L HN 1.085 nan 8.230 nan 0.000 0.431 305 A N 2.986 125.797 122.820 -0.016 0.000 2.609 305 A HA 0.426 4.744 4.320 -0.005 0.000 0.291 305 A C -1.040 176.628 177.584 0.140 0.000 1.096 305 A CA -0.798 51.216 52.037 -0.039 0.000 0.684 305 A CB 1.561 20.505 19.000 -0.094 0.000 1.282 305 A HN 0.653 nan 8.150 nan 0.000 0.412 306 K N 0.994 121.492 120.400 0.163 0.000 2.484 306 K HA 0.215 4.533 4.320 -0.005 0.000 0.280 306 K C -2.364 174.274 176.600 0.064 0.000 1.013 306 K CA -0.911 55.459 56.287 0.139 0.000 1.029 306 K CB 0.088 32.657 32.500 0.115 0.000 0.902 306 K HN 0.292 nan 8.250 nan 0.000 0.481 307 P HA -0.050 nan 4.420 nan 0.000 0.262 307 P C 0.194 177.501 177.300 0.012 0.000 1.182 307 P CA 1.071 64.183 63.100 0.022 0.000 0.761 307 P CB 0.582 32.291 31.700 0.015 0.000 0.795 308 G N 2.688 111.488 108.800 0.000 0.000 2.184 308 G HA2 -0.316 3.641 3.960 -0.005 0.000 0.264 308 G HA3 -0.316 3.641 3.960 -0.005 0.000 0.264 308 G C 1.127 176.027 174.900 -0.001 0.000 0.975 308 G CA 0.635 45.733 45.100 -0.003 0.000 0.642 308 G HN 0.598 nan 8.290 nan 0.000 0.536 309 S N -1.151 114.549 115.700 -0.000 0.000 2.478 309 S HA 0.569 5.036 4.470 -0.005 0.000 0.222 309 S C 0.798 175.391 174.600 -0.011 0.000 1.008 309 S CA 0.884 59.084 58.200 -0.001 0.000 0.928 309 S CB 0.604 63.807 63.200 0.004 0.000 0.781 309 S HN 1.261 nan 8.310 nan 0.000 0.518 310 I N 1.582 122.138 120.570 -0.022 0.000 2.752 310 I HA 0.465 4.633 4.170 -0.005 0.000 0.295 310 I C -1.359 174.729 176.117 -0.047 0.000 1.219 310 I CA -0.427 60.856 61.300 -0.029 0.000 1.030 310 I CB 2.211 40.182 38.000 -0.049 0.000 1.259 310 I HN 0.275 nan 8.210 nan 0.000 0.423 311 T N 3.572 118.098 114.554 -0.047 0.000 2.924 311 T HA 0.682 5.029 4.350 -0.005 0.000 0.291 311 T C -2.935 171.566 174.700 -0.332 0.000 1.045 311 T CA -2.010 59.992 62.100 -0.162 0.000 1.015 311 T CB 1.786 70.564 68.868 -0.150 0.000 1.103 311 T HN 0.333 nan 8.240 nan 0.000 0.496 312 P HA 0.422 nan 4.420 nan 0.000 0.285 312 P C -1.073 175.796 177.300 -0.718 0.000 1.259 312 P CA -0.256 62.596 63.100 -0.413 0.000 0.794 312 P CB 0.672 32.221 31.700 -0.251 0.000 0.940 313 H N 0.884 119.876 119.070 -0.130 0.000 2.985 313 H HA 0.362 4.915 4.556 -0.005 0.000 0.360 313 H C 0.681 175.954 175.328 -0.091 0.000 1.221 313 H CA -0.360 55.628 56.048 -0.100 0.000 1.121 313 H CB 2.170 31.867 29.762 -0.108 0.000 1.854 313 H HN 0.390 nan 8.280 nan 0.000 0.551 314 T N -2.542 112.078 114.554 0.110 0.000 2.966 314 T HA 0.194 4.541 4.350 -0.005 0.000 0.254 314 T C 0.485 175.232 174.700 0.078 0.000 0.961 314 T CA -0.155 61.979 62.100 0.056 0.000 0.915 314 T CB 1.197 70.071 68.868 0.009 0.000 1.186 314 T HN 0.306 nan 8.240 nan 0.000 0.505 315 K N 0.841 121.305 120.400 0.106 0.000 2.397 315 K HA 0.623 4.941 4.320 -0.005 0.000 0.253 315 K C -1.773 174.886 176.600 0.098 0.000 0.932 315 K CA -1.153 55.135 56.287 0.002 0.000 0.795 315 K CB 1.481 33.967 32.500 -0.024 0.000 1.159 315 K HN 0.352 nan 8.250 nan 0.000 0.424 316 F N -0.250 119.657 119.950 -0.072 0.000 2.693 316 F HA 0.448 4.972 4.527 -0.004 0.000 0.309 316 F C -0.985 174.817 175.800 0.003 0.000 1.129 316 F CA -1.128 56.839 58.000 -0.056 0.000 0.948 316 F CB 0.998 39.943 39.000 -0.093 0.000 1.315 316 F HN 0.341 nan 8.300 nan 0.000 0.447 317 E N 1.188 121.491 120.200 0.170 0.000 2.283 317 E HA 0.732 5.079 4.350 -0.005 0.000 0.271 317 E C -0.889 175.875 176.600 0.274 0.000 1.031 317 E CA -1.076 55.397 56.400 0.121 0.000 0.868 317 E CB 1.885 31.640 29.700 0.091 0.000 1.094 317 E HN 0.886 nan 8.360 nan 0.000 0.401 318 A N 1.480 124.398 122.820 0.163 0.000 2.572 318 A HA 0.503 4.820 4.320 -0.005 0.000 0.295 318 A C -0.981 176.590 177.584 -0.021 0.000 1.072 318 A CA -0.720 51.456 52.037 0.231 0.000 0.691 318 A CB 1.922 21.262 19.000 0.567 0.000 1.291 318 A HN 0.426 nan 8.150 nan 0.000 0.404 319 S N 0.342 116.051 115.700 0.014 0.000 2.438 319 S HA 0.592 5.059 4.470 -0.005 0.000 0.293 319 S C -0.520 174.024 174.600 -0.093 0.000 1.141 319 S CA -0.378 57.790 58.200 -0.053 0.000 1.080 319 S CB 0.930 64.126 63.200 -0.007 0.000 0.978 319 S HN 0.687 nan 8.310 nan 0.000 0.479 320 V N 4.271 124.108 119.914 -0.129 0.000 2.588 320 V HA 0.371 4.488 4.120 -0.005 0.000 0.304 320 V C -1.130 175.005 176.094 0.068 0.000 1.042 320 V CA -0.887 61.376 62.300 -0.062 0.000 0.877 320 V CB 1.627 33.403 31.823 -0.078 0.000 0.996 320 V HN 0.834 nan 8.190 nan 0.000 0.425 321 Y N 4.681 124.978 120.300 -0.005 0.000 2.341 321 Y HA 0.624 5.171 4.550 -0.005 0.000 0.340 321 Y C -0.247 175.701 175.900 0.079 0.000 0.997 321 Y CA -0.757 57.359 58.100 0.027 0.000 1.149 321 Y CB 1.524 39.997 38.460 0.020 0.000 1.171 321 Y HN 0.402 nan 8.280 nan 0.000 0.494 322 V N 8.290 127.833 119.914 -0.617 0.000 2.408 322 V HA 0.134 4.251 4.120 -0.005 0.000 0.267 322 V C -0.026 175.612 176.094 -0.760 0.000 1.047 322 V CA -0.679 61.368 62.300 -0.421 0.000 0.937 322 V CB 0.308 31.967 31.823 -0.274 0.000 0.999 322 V HN 0.604 nan 8.190 nan 0.000 0.472 323 L N 5.786 126.788 121.223 -0.368 0.000 2.461 323 L HA 0.237 4.574 4.340 -0.005 0.000 0.272 323 L C 0.724 177.547 176.870 -0.079 0.000 1.197 323 L CA 0.660 55.403 54.840 -0.162 0.000 0.836 323 L CB 0.103 42.192 42.059 0.049 0.000 1.105 323 L HN 0.558 nan 8.230 nan 0.000 0.477 324 K N 1.842 122.261 120.400 0.032 0.000 2.107 324 K HA 0.140 4.457 4.320 -0.005 0.000 0.251 324 K C 0.902 177.541 176.600 0.065 0.000 1.012 324 K CA -0.629 55.685 56.287 0.045 0.000 0.920 324 K CB 0.797 33.353 32.500 0.092 0.000 1.033 324 K HN 0.409 nan 8.250 nan 0.000 0.478 325 K N 1.869 122.311 120.400 0.069 0.000 2.063 325 K HA -0.230 4.087 4.320 -0.005 0.000 0.208 325 K C 1.540 178.178 176.600 0.063 0.000 1.048 325 K CA 2.141 58.470 56.287 0.070 0.000 0.928 325 K CB 0.087 32.641 32.500 0.089 0.000 0.713 325 K HN 0.679 nan 8.250 nan 0.000 0.442 326 E N -0.112 120.130 120.200 0.070 0.000 2.472 326 E HA -0.165 4.182 4.350 -0.005 0.000 0.200 326 E C 0.715 177.363 176.600 0.080 0.000 1.046 326 E CA 1.062 57.500 56.400 0.063 0.000 0.871 326 E CB 0.094 29.831 29.700 0.061 0.000 0.806 326 E HN 0.438 nan 8.360 nan 0.000 0.533 327 E N -0.175 120.087 120.200 0.103 0.000 2.481 327 E HA 0.169 4.516 4.350 -0.005 0.000 0.198 327 E C 0.747 177.389 176.600 0.071 0.000 1.027 327 E CA 0.205 56.679 56.400 0.123 0.000 0.900 327 E CB 1.034 30.863 29.700 0.215 0.000 0.993 327 E HN 0.451 nan 8.360 nan 0.000 0.482 328 G N 0.959 109.791 108.800 0.053 0.000 2.168 328 G HA2 -0.189 3.768 3.960 -0.005 0.000 0.197 328 G HA3 -0.189 3.768 3.960 -0.005 0.000 0.197 328 G C 0.501 175.413 174.900 0.020 0.000 0.997 328 G CA -0.338 44.778 45.100 0.027 0.000 0.658 328 G HN 0.448 nan 8.290 nan 0.000 0.513 329 G N -0.561 108.261 108.800 0.037 0.000 2.714 329 G HA2 0.692 4.649 3.960 -0.005 0.000 0.197 329 G HA3 0.692 4.649 3.960 -0.005 0.000 0.197 329 G C 0.109 175.031 174.900 0.037 0.000 1.449 329 G CA -0.602 44.517 45.100 0.031 0.000 1.065 329 G HN 0.451 nan 8.290 nan 0.000 0.575 330 R N -1.940 118.585 120.500 0.041 0.000 2.892 330 R HA 0.328 4.665 4.340 -0.005 0.000 0.265 330 R C 0.635 176.974 176.300 0.064 0.000 1.025 330 R CA -0.756 55.377 56.100 0.055 0.000 0.982 330 R CB 1.586 31.917 30.300 0.050 0.000 1.185 330 R HN 0.682 nan 8.270 nan 0.000 0.484 331 H N 0.362 119.425 119.070 -0.012 0.000 2.423 331 H HA -0.019 4.534 4.556 -0.005 0.000 0.297 331 H C 0.267 175.571 175.328 -0.041 0.000 1.075 331 H CA 1.632 57.668 56.048 -0.020 0.000 1.342 331 H CB 0.359 30.114 29.762 -0.011 0.000 1.395 331 H HN 0.553 nan 8.280 nan 0.000 0.530 332 T N -2.247 112.229 114.554 -0.130 0.000 2.918 332 T HA 0.623 4.970 4.350 -0.005 0.000 0.286 332 T C 0.934 175.515 174.700 -0.198 0.000 1.026 332 T CA -0.520 61.447 62.100 -0.222 0.000 1.031 332 T CB 1.987 70.781 68.868 -0.123 0.000 1.046 332 T HN 0.329 nan 8.240 nan 0.000 0.479 333 G N 0.549 109.163 108.800 -0.309 0.000 2.504 333 G HA2 0.639 4.596 3.960 -0.005 0.000 0.257 333 G HA3 0.639 4.596 3.960 -0.005 0.000 0.257 333 G C -0.735 173.893 174.900 -0.455 0.000 1.451 333 G CA -0.956 43.902 45.100 -0.402 0.000 1.059 333 G HN 0.927 nan 8.290 nan 0.000 0.550 334 F N -3.080 116.471 119.950 -0.665 0.000 2.650 334 F HA 0.822 5.346 4.527 -0.005 0.000 0.320 334 F C -1.298 174.033 175.800 -0.782 0.000 1.091 334 F CA -2.026 55.477 58.000 -0.827 0.000 0.962 334 F CB 1.212 39.543 39.000 -1.115 0.000 1.363 334 F HN 0.304 nan 8.300 nan 0.000 0.482 335 F N -0.397 119.557 119.950 0.007 0.000 2.631 335 F HA 0.664 5.188 4.527 -0.005 0.000 0.350 335 F C 0.510 176.353 175.800 0.071 0.000 1.080 335 F CA -1.329 56.670 58.000 -0.002 0.000 1.026 335 F CB 1.237 40.228 39.000 -0.014 0.000 1.347 335 F HN 0.491 nan 8.300 nan 0.000 0.501 336 S N 0.009 115.856 115.700 0.244 0.000 2.573 336 S HA 0.381 4.848 4.470 -0.005 0.000 0.277 336 S C 0.973 175.671 174.600 0.164 0.000 1.346 336 S CA 0.676 58.962 58.200 0.143 0.000 1.034 336 S CB 0.450 63.706 63.200 0.093 0.000 0.879 336 S HN 1.141 nan 8.310 nan 0.000 0.528 337 G N 0.781 109.657 108.800 0.126 0.000 2.217 337 G HA2 -0.278 3.679 3.960 -0.005 0.000 0.246 337 G HA3 -0.278 3.679 3.960 -0.005 0.000 0.246 337 G C 0.008 175.011 174.900 0.171 0.000 0.990 337 G CA 0.158 45.328 45.100 0.116 0.000 0.627 337 G HN 0.727 nan 8.290 nan 0.000 0.522 338 Y N 2.262 122.592 120.300 0.051 0.000 2.712 338 Y HA 0.474 5.021 4.550 -0.005 0.000 0.333 338 Y C 1.063 176.952 175.900 -0.018 0.000 1.225 338 Y CA -0.118 57.983 58.100 0.003 0.000 1.499 338 Y CB 0.368 38.783 38.460 -0.075 0.000 1.288 338 Y HN 0.223 nan 8.280 nan 0.000 0.575 339 R N 7.251 127.614 120.500 -0.228 0.000 2.748 339 R HA 0.270 4.607 4.340 -0.005 0.000 0.283 339 R C -2.480 173.580 176.300 -0.400 0.000 1.507 339 R CA -1.567 54.407 56.100 -0.211 0.000 1.666 339 R CB 0.483 30.744 30.300 -0.065 0.000 1.237 339 R HN 0.498 nan 8.270 nan 0.000 0.633 340 P HA 0.131 nan 4.420 nan 0.000 0.293 340 P C -0.753 176.333 177.300 -0.356 0.000 1.304 340 P CA -0.502 62.191 63.100 -0.679 0.000 0.767 340 P CB 0.896 31.970 31.700 -1.043 0.000 1.247 341 Q N -0.434 119.188 119.800 -0.298 0.000 2.241 341 Q HA 0.443 4.780 4.340 -0.005 0.000 0.254 341 Q C -0.864 175.019 176.000 -0.194 0.000 0.917 341 Q CA -0.198 55.552 55.803 -0.089 0.000 0.919 341 Q CB 0.781 29.555 28.738 0.061 0.000 1.237 341 Q HN 0.370 nan 8.270 nan 0.000 0.434 342 F N 1.755 121.769 119.950 0.107 0.000 2.444 342 F HA 0.307 4.831 4.527 -0.005 0.000 0.342 342 F C -0.497 175.301 175.800 -0.003 0.000 1.121 342 F CA -0.763 57.296 58.000 0.099 0.000 0.997 342 F CB 0.946 40.000 39.000 0.089 0.000 1.130 342 F HN 0.334 nan 8.300 nan 0.000 0.454 343 Y N 3.709 123.945 120.300 -0.105 0.000 2.434 343 Y HA 0.447 4.994 4.550 -0.005 0.000 0.341 343 Y C -0.874 174.901 175.900 -0.209 0.000 0.965 343 Y CA -1.321 56.738 58.100 -0.069 0.000 1.205 343 Y CB 0.472 38.917 38.460 -0.025 0.000 1.121 343 Y HN 0.363 nan 8.280 nan 0.000 0.507 344 F N 3.407 123.471 119.950 0.190 0.000 2.460 344 F HA 0.537 5.061 4.527 -0.005 0.000 0.341 344 F C 0.734 176.582 175.800 0.080 0.000 1.130 344 F CA -1.146 56.928 58.000 0.125 0.000 0.962 344 F CB 1.223 40.231 39.000 0.013 0.000 1.171 344 F HN 0.520 nan 8.300 nan 0.000 0.436 345 R N -0.070 120.570 120.500 0.234 0.000 3.869 345 R HA -0.275 4.062 4.340 -0.005 0.000 0.424 345 R C 1.425 177.801 176.300 0.128 0.000 0.241 345 R CA 2.155 58.342 56.100 0.145 0.000 1.351 345 R CB -1.536 28.826 30.300 0.103 0.000 0.979 345 R HN 0.726 nan 8.270 nan 0.000 0.572 346 T N -1.056 113.551 114.554 0.089 0.000 3.107 346 T HA 0.136 4.483 4.350 -0.005 0.000 0.249 346 T C 0.486 175.212 174.700 0.044 0.000 1.096 346 T CA 0.454 62.595 62.100 0.068 0.000 1.012 346 T CB 0.050 68.944 68.868 0.044 0.000 0.977 346 T HN 0.388 nan 8.240 nan 0.000 0.527 347 T N 3.057 117.650 114.554 0.064 0.000 2.889 347 T HA 0.421 4.768 4.350 -0.005 0.000 0.291 347 T C -0.785 173.878 174.700 -0.063 0.000 0.995 347 T CA -0.524 61.598 62.100 0.037 0.000 1.092 347 T CB 1.255 70.191 68.868 0.114 0.000 0.954 347 T HN 0.225 nan 8.240 nan 0.000 0.506 348 D N 2.356 122.660 120.400 -0.160 0.000 2.402 348 D HA 0.423 5.060 4.640 -0.005 0.000 0.252 348 D C -1.339 174.864 176.300 -0.162 0.000 1.294 348 D CA -0.365 53.384 54.000 -0.417 0.000 0.948 348 D CB 0.904 41.396 40.800 -0.514 0.000 1.202 348 D HN 0.242 nan 8.370 nan 0.000 0.561 349 V N 2.422 122.325 119.914 -0.019 0.000 2.789 349 V HA 0.457 4.574 4.120 -0.005 0.000 0.311 349 V C 0.542 176.743 176.094 0.177 0.000 1.073 349 V CA -0.778 61.568 62.300 0.076 0.000 0.921 349 V CB 2.191 34.081 31.823 0.111 0.000 1.009 349 V HN 0.486 nan 8.190 nan 0.000 0.426 350 T N 2.866 117.491 114.554 0.118 0.000 2.918 350 T HA 0.579 4.926 4.350 -0.005 0.000 0.302 350 T C 0.337 175.158 174.700 0.201 0.000 1.045 350 T CA 0.270 62.459 62.100 0.149 0.000 1.114 350 T CB 1.116 70.017 68.868 0.055 0.000 0.965 350 T HN 1.117 nan 8.240 nan 0.000 0.540 351 G N 0.185 109.166 108.800 0.303 0.000 2.704 351 G HA2 0.559 4.516 3.960 -0.005 0.000 0.293 351 G HA3 0.559 4.516 3.960 -0.005 0.000 0.293 351 G C -1.631 173.366 174.900 0.162 0.000 1.421 351 G CA -0.528 44.652 45.100 0.134 0.000 0.870 351 G HN 0.717 nan 8.290 nan 0.000 0.492 352 V N 0.904 120.832 119.914 0.023 0.000 2.472 352 V HA 0.669 4.786 4.120 -0.005 0.000 0.290 352 V C -0.251 175.856 176.094 0.022 0.000 1.037 352 V CA -0.521 61.800 62.300 0.034 0.000 0.908 352 V CB 1.599 33.428 31.823 0.011 0.000 0.985 352 V HN 0.581 nan 8.190 nan 0.000 0.454 353 V N 6.819 126.767 119.914 0.058 0.000 2.465 353 V HA 0.506 4.623 4.120 -0.005 0.000 0.279 353 V C -0.297 175.797 176.094 0.000 0.000 1.045 353 V CA -0.496 61.806 62.300 0.002 0.000 0.938 353 V CB 1.533 33.298 31.823 -0.096 0.000 0.986 353 V HN 0.862 nan 8.190 nan 0.000 0.467 354 Q N 4.723 124.531 119.800 0.013 0.000 2.320 354 Q HA 0.525 4.862 4.340 -0.005 0.000 0.268 354 Q C -0.776 175.270 176.000 0.077 0.000 1.023 354 Q CA -0.331 55.496 55.803 0.039 0.000 0.744 354 Q CB 2.326 31.087 28.738 0.039 0.000 1.246 354 Q HN 0.620 nan 8.270 nan 0.000 0.462 355 L N 2.888 124.145 121.223 0.057 0.000 2.466 355 L HA 0.401 4.738 4.340 -0.005 0.000 0.257 355 L C -1.794 175.138 176.870 0.102 0.000 1.189 355 L CA -1.742 53.158 54.840 0.100 0.000 0.813 355 L CB -0.100 41.988 42.059 0.050 0.000 1.118 355 L HN 0.250 nan 8.230 nan 0.000 0.471 356 P HA 0.100 nan 4.420 nan 0.000 0.270 356 P C -2.498 174.836 177.300 0.057 0.000 1.223 356 P CA -0.819 62.330 63.100 0.081 0.000 0.785 356 P CB -0.224 31.524 31.700 0.079 0.000 0.923 357 P HA 0.063 nan 4.420 nan 0.000 0.264 357 P C 0.930 178.249 177.300 0.031 0.000 1.193 357 P CA 1.343 64.463 63.100 0.034 0.000 0.763 357 P CB 0.000 31.718 31.700 0.029 0.000 0.810 358 G N 1.485 110.302 108.800 0.028 0.000 2.199 358 G HA2 -0.213 3.744 3.960 -0.005 0.000 0.254 358 G HA3 -0.213 3.744 3.960 -0.005 0.000 0.254 358 G C 0.014 174.929 174.900 0.025 0.000 0.982 358 G CA -0.098 45.017 45.100 0.024 0.000 0.632 358 G HN 0.527 nan 8.290 nan 0.000 0.529 359 V N 1.253 121.185 119.914 0.030 0.000 2.350 359 V HA 0.392 4.509 4.120 -0.005 0.000 0.276 359 V C 1.140 177.254 176.094 0.034 0.000 1.028 359 V CA 0.153 62.467 62.300 0.024 0.000 0.860 359 V CB 1.389 33.228 31.823 0.027 0.000 0.990 359 V HN 0.450 nan 8.190 nan 0.000 0.453 360 E N 4.567 124.789 120.200 0.037 0.000 2.190 360 E HA 0.158 4.505 4.350 -0.005 0.000 0.191 360 E C 0.391 177.057 176.600 0.110 0.000 0.978 360 E CA 0.792 57.249 56.400 0.096 0.000 0.839 360 E CB 0.424 30.188 29.700 0.107 0.000 0.787 360 E HN 0.823 nan 8.360 nan 0.000 0.473 361 M N -1.323 118.240 119.600 -0.060 0.000 2.732 361 M HA 0.391 4.868 4.480 -0.005 0.000 0.272 361 M C -1.408 174.683 176.300 -0.348 0.000 1.203 361 M CA -1.121 53.998 55.300 -0.303 0.000 0.841 361 M CB 2.035 34.244 32.600 -0.651 0.000 1.685 361 M HN -0.201 nan 8.290 nan 0.000 0.492 362 V N -0.406 119.175 119.914 -0.554 0.000 2.715 362 V HA 0.801 4.918 4.120 -0.005 0.000 0.310 362 V C -0.639 175.115 176.094 -0.566 0.000 1.054 362 V CA -0.685 61.310 62.300 -0.509 0.000 0.928 362 V CB 1.870 33.356 31.823 -0.563 0.000 1.007 362 V HN 1.058 nan 8.190 nan 0.000 0.437 363 M N 3.006 122.374 119.600 -0.385 0.000 2.664 363 M HA 0.572 5.049 4.480 -0.005 0.000 0.314 363 M C -2.715 173.414 176.300 -0.286 0.000 1.200 363 M CA -1.869 53.232 55.300 -0.332 0.000 0.916 363 M CB 2.315 34.771 32.600 -0.239 0.000 1.717 363 M HN 0.404 nan 8.290 nan 0.000 0.470 364 P HA 0.096 nan 4.420 nan 0.000 0.265 364 P C 0.634 177.829 177.300 -0.175 0.000 1.193 364 P CA 0.993 63.964 63.100 -0.215 0.000 0.765 364 P CB 0.487 32.098 31.700 -0.149 0.000 0.823 365 G N 1.669 110.326 108.800 -0.239 0.000 2.213 365 G HA2 -0.174 3.783 3.960 -0.005 0.000 0.236 365 G HA3 -0.174 3.783 3.960 -0.005 0.000 0.236 365 G C -0.034 174.889 174.900 0.039 0.000 0.991 365 G CA -0.279 44.805 45.100 -0.026 0.000 0.629 365 G HN 0.502 nan 8.290 nan 0.000 0.517 366 D N 0.539 120.879 120.400 -0.101 0.000 2.294 366 D HA 0.505 5.142 4.640 -0.005 0.000 0.250 366 D C 0.144 176.462 176.300 0.031 0.000 1.058 366 D CA -0.238 53.749 54.000 -0.023 0.000 0.950 366 D CB 0.675 41.429 40.800 -0.076 0.000 1.158 366 D HN 0.317 nan 8.370 nan 0.000 0.453 367 N N 0.055 118.810 118.700 0.092 0.000 2.476 367 N HA 0.412 5.149 4.740 -0.005 0.000 0.257 367 N C -0.561 174.978 175.510 0.050 0.000 0.970 367 N CA -0.579 52.539 53.050 0.113 0.000 0.938 367 N CB 1.512 40.070 38.487 0.117 0.000 1.144 367 N HN 0.166 nan 8.380 nan 0.000 0.500 368 V N -0.768 119.170 119.914 0.039 0.000 3.164 368 V HA 0.775 4.892 4.120 -0.005 0.000 0.313 368 V C -0.155 175.935 176.094 -0.007 0.000 1.188 368 V CA -0.641 61.685 62.300 0.042 0.000 1.058 368 V CB 1.883 33.766 31.823 0.100 0.000 1.110 368 V HN 0.437 nan 8.190 nan 0.000 0.453 369 T N 1.544 116.113 114.554 0.025 0.000 2.886 369 T HA 0.845 5.192 4.350 -0.005 0.000 0.292 369 T C -1.224 173.534 174.700 0.097 0.000 1.012 369 T CA -0.274 61.803 62.100 -0.040 0.000 0.982 369 T CB 0.903 69.777 68.868 0.011 0.000 1.018 369 T HN 1.397 nan 8.240 nan 0.000 0.451 370 F N 0.127 120.153 119.950 0.125 0.000 2.831 370 F HA 0.783 5.307 4.527 -0.005 0.000 0.318 370 F C -0.861 174.980 175.800 0.067 0.000 1.174 370 F CA -1.142 56.920 58.000 0.104 0.000 0.918 370 F CB 0.801 39.887 39.000 0.144 0.000 1.364 370 F HN 0.350 nan 8.300 nan 0.000 0.475 371 T N 1.641 116.425 114.554 0.384 0.000 2.823 371 T HA 0.697 5.044 4.350 -0.005 0.000 0.279 371 T C -0.946 173.774 174.700 0.034 0.000 0.998 371 T CA -0.557 61.606 62.100 0.105 0.000 0.994 371 T CB 1.739 70.625 68.868 0.030 0.000 0.960 371 T HN 0.580 nan 8.240 nan 0.000 0.448 372 V N 2.696 122.383 119.914 -0.379 0.000 2.628 372 V HA 0.568 4.685 4.120 -0.005 0.000 0.306 372 V C -0.167 175.553 176.094 -0.624 0.000 1.045 372 V CA -0.792 61.159 62.300 -0.581 0.000 0.905 372 V CB 1.917 33.053 31.823 -1.145 0.000 0.997 372 V HN 0.898 nan 8.190 nan 0.000 0.436 373 E N 3.408 123.382 120.200 -0.375 0.000 2.255 373 E HA 0.515 4.862 4.350 -0.005 0.000 0.256 373 E C -1.340 175.155 176.600 -0.174 0.000 0.887 373 E CA -0.555 55.707 56.400 -0.231 0.000 0.782 373 E CB 1.295 30.922 29.700 -0.122 0.000 1.214 373 E HN 0.615 nan 8.360 nan 0.000 0.417 374 L N 5.349 126.492 121.223 -0.134 0.000 2.436 374 L HA 0.280 4.617 4.340 -0.005 0.000 0.265 374 L C 1.745 178.600 176.870 -0.025 0.000 1.168 374 L CA -0.221 54.583 54.840 -0.061 0.000 0.815 374 L CB 0.695 42.745 42.059 -0.014 0.000 1.109 374 L HN 0.731 nan 8.230 nan 0.000 0.462 375 I N -1.882 118.688 120.570 0.000 0.000 3.111 375 I HA 0.079 4.246 4.170 -0.005 0.000 0.272 375 I C 0.301 176.414 176.117 -0.007 0.000 1.268 375 I CA 0.725 62.024 61.300 -0.002 0.000 1.467 375 I CB -0.198 37.807 38.000 0.007 0.000 1.087 375 I HN 0.519 nan 8.210 nan 0.000 0.467 376 K N 1.024 121.419 120.400 -0.008 0.000 2.508 376 K HA 0.541 4.858 4.320 -0.005 0.000 0.260 376 K C -2.800 173.779 176.600 -0.035 0.000 0.949 376 K CA -1.890 54.385 56.287 -0.020 0.000 0.834 376 K CB 2.123 34.614 32.500 -0.015 0.000 1.365 376 K HN -0.240 nan 8.250 nan 0.000 0.437 377 P HA 0.203 nan 4.420 nan 0.000 0.275 377 P C -1.111 176.124 177.300 -0.108 0.000 1.228 377 P CA -0.500 62.550 63.100 -0.083 0.000 0.786 377 P CB 0.756 32.398 31.700 -0.095 0.000 0.927 378 V N 1.125 120.941 119.914 -0.163 0.000 2.971 378 V HA 0.581 4.698 4.120 -0.005 0.000 0.309 378 V C -0.184 175.763 176.094 -0.245 0.000 1.130 378 V CA -1.208 60.965 62.300 -0.211 0.000 0.964 378 V CB 2.061 33.688 31.823 -0.327 0.000 1.029 378 V HN 0.625 nan 8.190 nan 0.000 0.427 379 A N 5.177 127.878 122.820 -0.199 0.000 2.484 379 A HA 0.650 4.967 4.320 -0.005 0.000 0.268 379 A C -0.554 176.899 177.584 -0.219 0.000 1.114 379 A CA 0.401 52.336 52.037 -0.170 0.000 0.780 379 A CB -0.468 18.459 19.000 -0.121 0.000 1.061 379 A HN 0.717 nan 8.150 nan 0.000 0.505 380 L N 2.375 123.500 121.223 -0.164 0.000 2.371 380 L HA 0.674 5.012 4.340 -0.005 0.000 0.262 380 L C -0.404 176.407 176.870 -0.098 0.000 1.006 380 L CA -0.644 54.051 54.840 -0.242 0.000 0.818 380 L CB 2.518 44.310 42.059 -0.444 0.000 1.354 380 L HN 0.828 nan 8.230 nan 0.000 0.415 381 E N 0.062 120.185 120.200 -0.129 0.000 2.390 381 E HA 0.271 4.618 4.350 -0.005 0.000 0.277 381 E C -1.537 175.016 176.600 -0.078 0.000 0.939 381 E CA -0.948 55.403 56.400 -0.082 0.000 0.769 381 E CB 2.546 32.223 29.700 -0.039 0.000 1.251 381 E HN 0.474 nan 8.360 nan 0.000 0.450 382 E N 0.544 120.707 120.200 -0.062 0.000 2.414 382 E HA 0.172 4.519 4.350 -0.005 0.000 0.263 382 E C 0.568 177.169 176.600 0.002 0.000 1.000 382 E CA 1.243 57.628 56.400 -0.026 0.000 0.914 382 E CB 0.196 29.884 29.700 -0.019 0.000 0.948 382 E HN 0.769 nan 8.360 nan 0.000 0.444 383 G N 3.350 112.169 108.800 0.031 0.000 2.194 383 G HA2 -0.273 3.684 3.960 -0.005 0.000 0.236 383 G HA3 -0.273 3.684 3.960 -0.005 0.000 0.236 383 G C -0.075 174.861 174.900 0.060 0.000 0.987 383 G CA 0.101 45.223 45.100 0.037 0.000 0.635 383 G HN 0.539 nan 8.290 nan 0.000 0.520 384 L N 2.426 123.699 121.223 0.084 0.000 2.418 384 L HA 0.618 4.955 4.340 -0.005 0.000 0.274 384 L C 0.928 177.943 176.870 0.242 0.000 1.135 384 L CA -0.437 54.487 54.840 0.140 0.000 0.870 384 L CB 0.193 42.333 42.059 0.136 0.000 1.154 384 L HN 0.277 nan 8.230 nan 0.000 0.462 385 R N 4.976 125.576 120.500 0.165 0.000 2.539 385 R HA 0.561 4.898 4.340 -0.005 0.000 0.275 385 R C -0.821 175.605 176.300 0.210 0.000 1.077 385 R CA 0.043 56.208 56.100 0.107 0.000 1.097 385 R CB 0.681 30.993 30.300 0.020 0.000 1.018 385 R HN 0.694 nan 8.270 nan 0.000 0.483 386 F N -1.196 118.749 119.950 -0.008 0.000 2.745 386 F HA 0.803 5.327 4.527 -0.005 0.000 0.316 386 F C -1.541 174.209 175.800 -0.084 0.000 1.155 386 F CA -1.388 56.530 58.000 -0.136 0.000 0.937 386 F CB 1.138 39.825 39.000 -0.522 0.000 1.361 386 F HN 0.493 nan 8.300 nan 0.000 0.472 387 A N 1.121 124.017 122.820 0.126 0.000 2.380 387 A HA 0.873 5.190 4.320 -0.005 0.000 0.315 387 A C -1.402 176.245 177.584 0.105 0.000 1.101 387 A CA -0.915 51.120 52.037 -0.003 0.000 0.771 387 A CB 1.310 20.231 19.000 -0.132 0.000 1.287 387 A HN 0.757 nan 8.150 nan 0.000 0.436 388 I N 1.490 122.040 120.570 -0.033 0.000 2.406 388 I HA 0.473 4.640 4.170 -0.005 0.000 0.290 388 I C -0.108 175.882 176.117 -0.211 0.000 0.999 388 I CA -0.390 60.803 61.300 -0.179 0.000 1.124 388 I CB 1.681 39.577 38.000 -0.173 0.000 1.289 388 I HN 0.656 nan 8.210 nan 0.000 0.441 389 R N 4.791 125.162 120.500 -0.215 0.000 2.744 389 R HA 0.650 4.987 4.340 -0.005 0.000 0.279 389 R C -1.025 175.200 176.300 -0.125 0.000 0.977 389 R CA -0.917 55.074 56.100 -0.181 0.000 0.906 389 R CB 3.122 33.246 30.300 -0.293 0.000 1.197 389 R HN 0.506 nan 8.270 nan 0.000 0.463 390 E N 0.406 120.552 120.200 -0.090 0.000 2.388 390 E HA 0.189 4.536 4.350 -0.005 0.000 0.289 390 E C -0.152 176.436 176.600 -0.020 0.000 0.944 390 E CA 0.140 56.494 56.400 -0.077 0.000 0.792 390 E CB 1.773 31.397 29.700 -0.126 0.000 1.239 390 E HN 0.742 nan 8.360 nan 0.000 0.412 391 G N 2.581 111.371 108.800 -0.017 0.000 2.283 391 G HA2 -0.215 3.742 3.960 -0.005 0.000 0.280 391 G HA3 -0.215 3.742 3.960 -0.005 0.000 0.280 391 G C 0.957 175.840 174.900 -0.028 0.000 1.029 391 G CA 1.198 46.292 45.100 -0.009 0.000 0.840 391 G HN 1.614 nan 8.290 nan 0.000 0.505 392 G N -2.106 106.669 108.800 -0.041 0.000 2.143 392 G HA2 -0.200 3.757 3.960 -0.005 0.000 0.249 392 G HA3 -0.200 3.757 3.960 -0.005 0.000 0.249 392 G C 0.341 175.198 174.900 -0.072 0.000 0.981 392 G CA 0.901 45.959 45.100 -0.069 0.000 0.665 392 G HN 1.024 nan 8.290 nan 0.000 0.528 393 R N -0.221 120.247 120.500 -0.055 0.000 2.803 393 R HA 0.627 4.964 4.340 -0.005 0.000 0.276 393 R C -0.636 175.623 176.300 -0.069 0.000 0.978 393 R CA -0.570 55.502 56.100 -0.047 0.000 0.939 393 R CB 1.095 31.387 30.300 -0.012 0.000 1.179 393 R HN 0.095 nan 8.270 nan 0.000 0.472 394 T N 1.827 116.340 114.554 -0.068 0.000 2.747 394 T HA 0.121 4.468 4.350 -0.005 0.000 0.301 394 T C 1.516 176.198 174.700 -0.029 0.000 0.952 394 T CA -0.343 61.702 62.100 -0.091 0.000 0.983 394 T CB 0.544 69.358 68.868 -0.091 0.000 0.930 394 T HN 0.482 nan 8.240 nan 0.000 0.494 395 V N 1.480 121.384 119.914 -0.017 0.000 3.354 395 V HA 0.537 4.654 4.120 -0.005 0.000 0.258 395 V C 0.874 177.029 176.094 0.102 0.000 1.159 395 V CA 0.630 62.965 62.300 0.058 0.000 1.125 395 V CB -0.408 31.477 31.823 0.104 0.000 0.774 395 V HN 0.789 nan 8.190 nan 0.000 0.464 396 G N -0.825 108.012 108.800 0.062 0.000 2.720 396 G HA2 0.715 4.673 3.960 -0.005 0.000 0.295 396 G HA3 0.715 4.673 3.960 -0.005 0.000 0.295 396 G C -1.359 173.554 174.900 0.022 0.000 1.437 396 G CA -0.265 44.894 45.100 0.098 0.000 0.886 396 G HN 0.813 nan 8.290 nan 0.000 0.509 397 A N 0.167 123.003 122.820 0.027 0.000 2.291 397 A HA 0.924 5.242 4.320 -0.005 0.000 0.311 397 A C 0.372 177.811 177.584 -0.242 0.000 1.224 397 A CA 0.074 52.064 52.037 -0.078 0.000 0.821 397 A CB 1.180 20.218 19.000 0.065 0.000 1.172 397 A HN 1.675 nan 8.150 nan 0.000 0.494 398 G N 0.017 108.380 108.800 -0.730 0.000 2.714 398 G HA2 0.661 4.618 3.960 -0.005 0.000 0.292 398 G HA3 0.661 4.618 3.960 -0.005 0.000 0.292 398 G C -1.323 173.049 174.900 -0.879 0.000 1.308 398 G CA -0.718 43.789 45.100 -0.988 0.000 0.964 398 G HN 1.072 nan 8.290 nan 0.000 0.484 399 V N -0.111 119.620 119.914 -0.305 0.000 2.733 399 V HA 0.361 4.478 4.120 -0.005 0.000 0.306 399 V C -0.029 176.281 176.094 0.360 0.000 1.084 399 V CA -0.829 61.512 62.300 0.068 0.000 0.905 399 V CB 1.633 33.472 31.823 0.028 0.000 1.010 399 V HN 0.612 nan 8.190 nan 0.000 0.424 400 V N 3.973 124.144 119.914 0.429 0.000 2.529 400 V HA 0.178 4.295 4.120 -0.005 0.000 0.292 400 V C 1.438 177.636 176.094 0.173 0.000 1.028 400 V CA 1.163 63.633 62.300 0.284 0.000 1.074 400 V CB 1.062 32.868 31.823 -0.029 0.000 0.958 400 V HN 1.169 nan 8.190 nan 0.000 0.481 401 T N 0.954 115.619 114.554 0.185 0.000 2.955 401 T HA 0.265 4.612 4.350 -0.005 0.000 0.251 401 T C 0.368 175.113 174.700 0.075 0.000 1.002 401 T CA -0.155 62.007 62.100 0.104 0.000 0.970 401 T CB 0.323 69.243 68.868 0.088 0.000 1.091 401 T HN 0.497 nan 8.240 nan 0.000 0.495 402 K N 1.087 121.547 120.400 0.099 0.000 2.589 402 K HA 0.420 4.738 4.320 -0.005 0.000 0.253 402 K C -1.653 174.982 176.600 0.059 0.000 0.974 402 K CA -0.816 55.503 56.287 0.054 0.000 0.835 402 K CB 1.590 34.118 32.500 0.047 0.000 1.272 402 K HN 0.014 nan 8.250 nan 0.000 0.444 403 I N 6.600 127.152 120.570 -0.031 0.000 2.416 403 I HA 0.090 4.257 4.170 -0.005 0.000 0.288 403 I C 1.069 177.148 176.117 -0.063 0.000 1.051 403 I CA -0.001 61.239 61.300 -0.100 0.000 1.375 403 I CB 0.962 38.747 38.000 -0.359 0.000 1.407 403 I HN 0.771 nan 8.210 nan 0.000 0.516 404 L N 3.902 125.118 121.223 -0.012 0.000 2.500 404 L HA 0.239 4.576 4.340 -0.005 0.000 0.219 404 L C 0.683 177.560 176.870 0.012 0.000 1.057 404 L CA 0.452 55.292 54.840 -0.000 0.000 0.854 404 L CB 0.208 42.273 42.059 0.010 0.000 1.078 404 L HN 0.561 nan 8.230 nan 0.000 0.480 405 E N 0.000 120.224 120.200 0.039 0.000 2.725 405 E HA 0.000 4.347 4.350 -0.005 0.000 0.291 405 E CA 0.000 56.456 56.400 0.093 0.000 0.976 405 E CB 0.000 29.733 29.700 0.055 0.000 0.812 405 E HN 0.000 nan 8.360 nan 0.000 0.440