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 2j0f_1_D DATA FIRST_RESID 34 DATA SEQUENCE KQLPELIRMK RDGGRLSEAD IRGFVAAVVN GSAQGAQIGA MLMAIRLRGM DATA SEQUENCE DLEETSVLTQ ALAQSGQQLE WPEAWRQQLV DKHSTGGVGD KVSLVLAPAL DATA SEQUENCE AACGCKVPMI SGRGLGHTGG TLDKLESIPG FNVIQSPEQM QVLLDQAGCC DATA SEQUENCE IVGQSEQLVP ADGILYAARD VTATVDSLPL ITASILSKKL VEGLSALVVD DATA SEQUENCE VKFGAGAVFP NQEQARELAK TLVGVGASLG LRVAAALTAM DKPLGRCVGH DATA SEQUENCE ALEVEEALLC MDGAGPPDLR DLVTTLGGAL LWLSGHAGTQ AQGAARVAAA DATA SEQUENCE LDDGSALGRF ERMLAAQGVD PGLARALCSG SPAERRQLLP RAREQEELLA DATA SEQUENCE PADGTVELVR ALPLALVLHE LGAGRSRAGE PLRLGVGAEL LVDVGQRLRR DATA SEQUENCE GTPWLRVHRD GPALSGPQSR ALQEALVLSD RAPFAAPLPF AELVLP 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 34 K HA 0.000 nan 4.320 nan 0.000 0.191 34 K C 0.000 176.621 176.600 0.036 0.000 0.988 34 K CA 0.000 56.303 56.287 0.027 0.000 0.838 34 K CB 0.000 32.515 32.500 0.025 0.000 1.064 35 Q N 1.356 121.176 119.800 0.033 0.000 2.407 35 Q HA 0.250 4.590 4.340 -0.001 0.000 0.214 35 Q C 0.972 177.003 176.000 0.053 0.000 1.043 35 Q CA -0.272 55.555 55.803 0.039 0.000 0.983 35 Q CB 0.859 29.615 28.738 0.030 0.000 1.211 35 Q HN 0.496 nan 8.270 nan 0.000 0.564 36 L N 1.369 122.632 121.223 0.066 0.000 2.027 36 L HA -0.137 4.203 4.340 -0.001 0.000 0.206 36 L C -0.883 176.028 176.870 0.067 0.000 1.074 36 L CA 1.241 56.139 54.840 0.096 0.000 0.745 36 L CB -0.802 41.330 42.059 0.122 0.000 0.898 36 L HN 0.577 nan 8.230 nan 0.000 0.433 37 P HA -0.188 nan 4.420 nan 0.000 0.219 37 P C 1.273 178.585 177.300 0.020 0.000 1.146 37 P CA 1.203 64.322 63.100 0.032 0.000 0.808 37 P CB 0.023 31.739 31.700 0.026 0.000 0.779 38 E N -0.399 119.814 120.200 0.021 0.000 2.072 38 E HA -0.082 4.268 4.350 -0.001 0.000 0.190 38 E C 2.007 178.610 176.600 0.006 0.000 0.982 38 E CA 0.838 57.246 56.400 0.013 0.000 0.803 38 E CB -0.526 29.183 29.700 0.016 0.000 0.755 38 E HN 0.230 nan 8.360 nan 0.000 0.453 39 L N 0.511 121.742 121.223 0.014 0.000 2.012 39 L HA -0.210 4.130 4.340 -0.001 0.000 0.210 39 L C 2.588 179.429 176.870 -0.048 0.000 1.073 39 L CA 1.048 55.884 54.840 -0.006 0.000 0.748 39 L CB -0.452 41.621 42.059 0.025 0.000 0.891 39 L HN 0.135 nan 8.230 nan 0.000 0.431 40 I N -0.839 119.708 120.570 -0.039 0.000 2.226 40 I HA -0.273 3.896 4.170 -0.001 0.000 0.245 40 I C 2.890 178.983 176.117 -0.040 0.000 1.100 40 I CA 0.963 62.228 61.300 -0.057 0.000 1.374 40 I CB -0.454 37.532 38.000 -0.023 0.000 1.057 40 I HN 0.275 nan 8.210 nan 0.000 0.413 41 R N 1.386 121.874 120.500 -0.020 0.000 2.073 41 R HA -0.174 4.165 4.340 -0.001 0.000 0.234 41 R C 2.213 178.501 176.300 -0.020 0.000 1.134 41 R CA 1.856 57.947 56.100 -0.015 0.000 0.952 41 R CB -0.442 29.855 30.300 -0.005 0.000 0.850 41 R HN 0.317 nan 8.270 nan 0.000 0.433 42 M N 0.441 120.028 119.600 -0.022 0.000 2.073 42 M HA -0.227 4.253 4.480 -0.001 0.000 0.258 42 M C 2.398 178.679 176.300 -0.032 0.000 1.070 42 M CA 2.207 57.493 55.300 -0.023 0.000 1.103 42 M CB -0.313 32.274 32.600 -0.022 0.000 1.321 42 M HN -0.012 nan 8.290 nan 0.000 0.405 43 K N 0.238 120.608 120.400 -0.049 0.000 2.057 43 K HA -0.114 4.206 4.320 -0.001 0.000 0.206 43 K C 2.093 178.667 176.600 -0.043 0.000 1.050 43 K CA 1.136 57.389 56.287 -0.057 0.000 0.935 43 K CB -0.246 32.197 32.500 -0.095 0.000 0.715 43 K HN 0.059 nan 8.250 nan 0.000 0.439 44 R N 0.851 121.327 120.500 -0.039 0.000 2.103 44 R HA -0.160 4.179 4.340 -0.001 0.000 0.242 44 R C 0.365 176.653 176.300 -0.019 0.000 1.142 44 R CA 2.088 58.172 56.100 -0.027 0.000 0.960 44 R CB -0.496 29.791 30.300 -0.021 0.000 0.858 44 R HN 0.256 nan 8.270 nan 0.000 0.439 45 D N -0.924 119.465 120.400 -0.018 0.000 2.336 45 D HA 0.093 4.732 4.640 -0.001 0.000 0.229 45 D C 0.894 177.186 176.300 -0.014 0.000 1.061 45 D CA 0.983 54.974 54.000 -0.013 0.000 0.875 45 D CB 0.190 40.984 40.800 -0.011 0.000 0.904 45 D HN 0.562 nan 8.370 nan 0.000 0.525 46 G N 0.224 109.013 108.800 -0.018 0.000 2.143 46 G HA2 -0.195 3.765 3.960 -0.001 0.000 0.249 46 G HA3 -0.195 3.765 3.960 -0.001 0.000 0.249 46 G C 0.760 175.650 174.900 -0.017 0.000 0.981 46 G CA 0.004 45.094 45.100 -0.017 0.000 0.665 46 G HN 0.592 nan 8.290 nan 0.000 0.528 47 G N -0.796 107.993 108.800 -0.018 0.000 2.606 47 G HA2 0.501 4.461 3.960 -0.001 0.000 0.252 47 G HA3 0.501 4.461 3.960 -0.001 0.000 0.252 47 G C 0.206 175.095 174.900 -0.019 0.000 1.206 47 G CA -0.144 44.946 45.100 -0.016 0.000 0.861 47 G HN 0.518 nan 8.290 nan 0.000 0.561 48 R N 0.324 120.815 120.500 -0.014 0.000 2.357 48 R HA 0.351 4.691 4.340 -0.001 0.000 0.296 48 R C -0.301 175.991 176.300 -0.014 0.000 1.052 48 R CA -0.471 55.622 56.100 -0.013 0.000 0.988 48 R CB 0.440 30.735 30.300 -0.007 0.000 1.025 48 R HN 0.375 nan 8.270 nan 0.000 0.469 49 L N 3.406 124.619 121.223 -0.016 0.000 2.289 49 L HA 0.259 4.598 4.340 -0.001 0.000 0.285 49 L C 0.663 177.534 176.870 0.001 0.000 1.049 49 L CA -0.495 54.338 54.840 -0.012 0.000 0.804 49 L CB 1.715 43.758 42.059 -0.026 0.000 1.195 49 L HN 0.784 nan 8.230 nan 0.000 0.428 50 S N 0.966 116.671 115.700 0.007 0.000 2.608 50 S HA 0.033 4.502 4.470 -0.001 0.000 0.261 50 S C 0.980 175.592 174.600 0.020 0.000 1.314 50 S CA -0.302 57.906 58.200 0.013 0.000 0.992 50 S CB 1.071 64.279 63.200 0.013 0.000 0.935 50 S HN 0.789 nan 8.310 nan 0.000 0.564 51 E N 0.896 121.108 120.200 0.021 0.000 2.085 51 E HA -0.207 4.142 4.350 -0.001 0.000 0.194 51 E C 2.173 178.793 176.600 0.033 0.000 0.994 51 E CA 1.344 57.760 56.400 0.026 0.000 0.801 51 E CB -0.638 29.075 29.700 0.022 0.000 0.743 51 E HN 0.818 nan 8.360 nan 0.000 0.453 52 A N 1.318 124.155 122.820 0.029 0.000 1.902 52 A HA -0.229 4.091 4.320 -0.001 0.000 0.217 52 A C 1.823 179.434 177.584 0.045 0.000 1.181 52 A CA 1.907 53.963 52.037 0.032 0.000 0.623 52 A CB -0.554 18.461 19.000 0.024 0.000 0.818 52 A HN 0.300 nan 8.150 nan 0.000 0.443 53 D N 0.160 120.586 120.400 0.043 0.000 2.092 53 D HA -0.148 4.491 4.640 -0.001 0.000 0.193 53 D C 1.895 178.252 176.300 0.094 0.000 0.994 53 D CA 1.454 55.487 54.000 0.056 0.000 0.828 53 D CB -0.459 40.360 40.800 0.031 0.000 0.963 53 D HN 0.522 nan 8.370 nan 0.000 0.450 54 I N 0.798 121.418 120.570 0.082 0.000 2.163 54 I HA -0.264 3.905 4.170 -0.001 0.000 0.243 54 I C 2.580 178.790 176.117 0.154 0.000 1.085 54 I CA 1.182 62.556 61.300 0.123 0.000 1.347 54 I CB -0.157 37.891 38.000 0.081 0.000 1.044 54 I HN -0.082 nan 8.210 nan 0.000 0.408 55 R N 0.551 121.108 120.500 0.095 0.000 2.096 55 R HA -0.114 4.226 4.340 -0.001 0.000 0.235 55 R C 2.415 178.754 176.300 0.065 0.000 1.127 55 R CA 1.402 57.544 56.100 0.069 0.000 0.968 55 R CB -0.728 29.598 30.300 0.044 0.000 0.861 55 R HN 0.484 nan 8.270 nan 0.000 0.440 56 G N 0.764 109.612 108.800 0.080 0.000 2.421 56 G HA2 -0.299 3.661 3.960 -0.001 0.000 0.216 56 G HA3 -0.299 3.661 3.960 -0.001 0.000 0.216 56 G C 1.225 176.181 174.900 0.094 0.000 1.171 56 G CA 0.399 45.542 45.100 0.073 0.000 0.775 56 G HN 0.288 nan 8.290 nan 0.000 0.543 57 F N 1.358 121.314 119.950 0.011 0.000 2.134 57 F HA -0.078 4.448 4.527 -0.000 0.000 0.299 57 F C 2.616 178.424 175.800 0.014 0.000 1.097 57 F CA 1.430 59.438 58.000 0.013 0.000 1.264 57 F CB -0.350 38.658 39.000 0.014 0.000 1.001 57 F HN 0.004 nan 8.300 nan 0.000 0.479 58 V N 0.678 120.538 119.914 -0.090 0.000 2.343 58 V HA -0.286 3.834 4.120 -0.001 0.000 0.247 58 V C 2.797 178.787 176.094 -0.174 0.000 1.051 58 V CA 1.750 63.945 62.300 -0.175 0.000 1.036 58 V CB -1.533 30.296 31.823 0.009 0.000 0.654 58 V HN 0.509 nan 8.190 nan 0.000 0.451 59 A N 0.088 122.853 122.820 -0.092 0.000 1.883 59 A HA -0.193 4.126 4.320 -0.001 0.000 0.217 59 A C 2.428 179.949 177.584 -0.105 0.000 1.186 59 A CA 2.322 54.315 52.037 -0.074 0.000 0.624 59 A CB -0.865 18.116 19.000 -0.032 0.000 0.822 59 A HN 0.592 nan 8.150 nan 0.000 0.444 60 A N -0.747 121.994 122.820 -0.133 0.000 1.933 60 A HA 0.019 4.338 4.320 -0.001 0.000 0.218 60 A C 2.231 179.702 177.584 -0.189 0.000 1.175 60 A CA 1.720 53.677 52.037 -0.133 0.000 0.628 60 A CB -0.895 18.044 19.000 -0.100 0.000 0.814 60 A HN 0.391 nan 8.150 nan 0.000 0.444 61 V N -0.382 119.334 119.914 -0.329 0.000 2.287 61 V HA -0.243 3.876 4.120 -0.001 0.000 0.248 61 V C 2.582 178.582 176.094 -0.156 0.000 1.053 61 V CA 2.117 64.239 62.300 -0.297 0.000 1.027 61 V CB -0.695 30.866 31.823 -0.437 0.000 0.646 61 V HN 0.390 nan 8.190 nan 0.000 0.447 62 V N 1.919 121.754 119.914 -0.132 0.000 2.358 62 V HA -0.189 3.930 4.120 -0.001 0.000 0.246 62 V C 2.066 178.125 176.094 -0.060 0.000 1.047 62 V CA 2.177 64.429 62.300 -0.079 0.000 1.035 62 V CB -0.969 30.815 31.823 -0.065 0.000 0.658 62 V HN 0.910 nan 8.190 nan 0.000 0.452 63 N N 0.235 118.898 118.700 -0.061 0.000 2.398 63 N HA 0.198 4.937 4.740 -0.001 0.000 0.188 63 N C 1.294 176.781 175.510 -0.038 0.000 1.122 63 N CA 1.040 54.064 53.050 -0.043 0.000 0.866 63 N CB 0.559 39.025 38.487 -0.036 0.000 0.970 63 N HN 0.429 nan 8.380 nan 0.000 0.462 64 G N -1.147 107.625 108.800 -0.047 0.000 2.195 64 G HA2 -0.326 3.633 3.960 -0.001 0.000 0.246 64 G HA3 -0.326 3.633 3.960 -0.001 0.000 0.246 64 G C 1.136 176.017 174.900 -0.031 0.000 0.984 64 G CA 0.379 45.458 45.100 -0.035 0.000 0.633 64 G HN 0.323 nan 8.290 nan 0.000 0.525 65 S N 0.228 115.906 115.700 -0.036 0.000 2.382 65 S HA 0.276 4.746 4.470 -0.001 0.000 0.228 65 S C 1.716 176.306 174.600 -0.017 0.000 1.027 65 S CA 1.238 59.425 58.200 -0.022 0.000 0.991 65 S CB -0.118 63.069 63.200 -0.021 0.000 0.823 65 S HN 1.680 nan 8.310 nan 0.000 0.469 66 A N 2.151 124.945 122.820 -0.042 0.000 2.395 66 A HA 0.346 4.665 4.320 -0.001 0.000 0.286 66 A C 0.211 177.792 177.584 -0.006 0.000 1.193 66 A CA -0.326 51.697 52.037 -0.024 0.000 0.852 66 A CB 0.087 19.026 19.000 -0.102 0.000 1.118 66 A HN 0.448 nan 8.150 nan 0.000 0.524 67 Q N 1.408 121.220 119.800 0.021 0.000 2.382 67 Q HA 0.345 4.685 4.340 -0.001 0.000 0.229 67 Q C 1.660 177.682 176.000 0.036 0.000 1.006 67 Q CA 0.209 56.026 55.803 0.023 0.000 0.916 67 Q CB 0.732 29.485 28.738 0.025 0.000 1.235 67 Q HN 0.845 nan 8.270 nan 0.000 0.512 68 G N 0.945 109.764 108.800 0.032 0.000 2.574 68 G HA2 -0.376 3.584 3.960 -0.001 0.000 0.220 68 G HA3 -0.376 3.584 3.960 -0.001 0.000 0.220 68 G C 1.294 176.226 174.900 0.053 0.000 1.173 68 G CA 1.145 46.270 45.100 0.040 0.000 0.772 68 G HN 0.722 nan 8.290 nan 0.000 0.585 69 A N 0.041 122.889 122.820 0.046 0.000 1.972 69 A HA -0.081 4.239 4.320 -0.001 0.000 0.219 69 A C 2.358 179.979 177.584 0.062 0.000 1.169 69 A CA 1.987 54.053 52.037 0.047 0.000 0.635 69 A CB -0.339 18.683 19.000 0.037 0.000 0.810 69 A HN 0.535 nan 8.150 nan 0.000 0.446 70 Q N -0.787 119.060 119.800 0.078 0.000 2.187 70 Q HA 0.026 4.365 4.340 -0.001 0.000 0.199 70 Q C 1.936 178.045 176.000 0.181 0.000 0.957 70 Q CA 1.096 56.967 55.803 0.113 0.000 0.857 70 Q CB -0.208 28.602 28.738 0.119 0.000 0.929 70 Q HN 0.736 nan 8.270 nan 0.000 0.453 71 I N 0.529 121.206 120.570 0.178 0.000 2.202 71 I HA -0.184 3.985 4.170 -0.001 0.000 0.242 71 I C 2.369 178.585 176.117 0.164 0.000 1.091 71 I CA 1.250 62.691 61.300 0.235 0.000 1.368 71 I CB -0.593 37.494 38.000 0.145 0.000 1.058 71 I HN 0.253 nan 8.210 nan 0.000 0.410 72 G N 0.419 109.281 108.800 0.102 0.000 2.440 72 G HA2 -0.252 3.708 3.960 -0.001 0.000 0.218 72 G HA3 -0.252 3.708 3.960 -0.001 0.000 0.218 72 G C 1.836 176.766 174.900 0.050 0.000 1.154 72 G CA 0.882 46.023 45.100 0.069 0.000 0.767 72 G HN 0.495 nan 8.290 nan 0.000 0.552 73 A N 0.089 122.938 122.820 0.048 0.000 1.898 73 A HA 0.084 4.404 4.320 -0.001 0.000 0.216 73 A C 2.301 179.880 177.584 -0.008 0.000 1.181 73 A CA 2.145 54.195 52.037 0.022 0.000 0.620 73 A CB -0.342 18.672 19.000 0.024 0.000 0.819 73 A HN 0.382 nan 8.150 nan 0.000 0.442 74 M N -0.074 119.516 119.600 -0.017 0.000 2.117 74 M HA -0.010 4.469 4.480 -0.001 0.000 0.262 74 M C 1.830 178.062 176.300 -0.113 0.000 1.065 74 M CA 1.502 56.713 55.300 -0.148 0.000 1.114 74 M CB -0.724 31.642 32.600 -0.389 0.000 1.361 74 M HN 0.350 nan 8.290 nan 0.000 0.408 75 L N -1.016 120.197 121.223 -0.017 0.000 2.046 75 L HA -0.217 4.123 4.340 -0.001 0.000 0.208 75 L C 2.509 179.376 176.870 -0.005 0.000 1.077 75 L CA 1.354 56.198 54.840 0.007 0.000 0.747 75 L CB -0.703 41.389 42.059 0.055 0.000 0.896 75 L HN 0.402 nan 8.230 nan 0.000 0.432 76 M N -0.137 119.463 119.600 -0.001 0.000 2.175 76 M HA -0.076 4.404 4.480 -0.001 0.000 0.264 76 M C 2.253 178.546 176.300 -0.013 0.000 1.063 76 M CA 1.871 57.171 55.300 -0.000 0.000 1.119 76 M CB -0.438 32.166 32.600 0.006 0.000 1.377 76 M HN 0.164 nan 8.290 nan 0.000 0.415 77 A N 0.299 123.102 122.820 -0.029 0.000 1.883 77 A HA -0.167 4.152 4.320 -0.001 0.000 0.217 77 A C 2.210 179.769 177.584 -0.041 0.000 1.186 77 A CA 2.171 54.184 52.037 -0.040 0.000 0.624 77 A CB -1.184 17.779 19.000 -0.062 0.000 0.822 77 A HN 0.587 nan 8.150 nan 0.000 0.444 78 I N -1.095 119.442 120.570 -0.055 0.000 2.286 78 I HA -0.232 3.938 4.170 -0.001 0.000 0.248 78 I C 2.648 178.758 176.117 -0.011 0.000 1.115 78 I CA 1.639 62.914 61.300 -0.043 0.000 1.392 78 I CB -0.217 37.750 38.000 -0.055 0.000 1.065 78 I HN 0.306 nan 8.210 nan 0.000 0.418 79 R N 1.395 121.894 120.500 -0.002 0.000 2.096 79 R HA -0.088 4.252 4.340 -0.001 0.000 0.235 79 R C 1.933 178.244 176.300 0.017 0.000 1.127 79 R CA 1.734 57.844 56.100 0.017 0.000 0.968 79 R CB -0.451 29.860 30.300 0.020 0.000 0.861 79 R HN 0.321 nan 8.270 nan 0.000 0.440 80 L N -0.741 120.485 121.223 0.005 0.000 2.298 80 L HA 0.135 4.475 4.340 -0.001 0.000 0.209 80 L C 1.796 178.665 176.870 -0.002 0.000 1.084 80 L CA 0.392 55.235 54.840 0.004 0.000 0.816 80 L CB -0.055 42.005 42.059 0.001 0.000 0.967 80 L HN 0.054 nan 8.230 nan 0.000 0.460 81 R N 0.111 120.605 120.500 -0.009 0.000 2.282 81 R HA 0.320 4.660 4.340 -0.001 0.000 0.195 81 R C 0.745 177.038 176.300 -0.013 0.000 0.909 81 R CA 0.593 56.685 56.100 -0.013 0.000 1.039 81 R CB -0.028 30.260 30.300 -0.020 0.000 1.015 81 R HN 0.271 nan 8.270 nan 0.000 0.513 82 G N 1.287 110.081 108.800 -0.010 0.000 2.782 82 G HA2 -0.267 3.693 3.960 -0.001 0.000 0.228 82 G HA3 -0.267 3.693 3.960 -0.001 0.000 0.228 82 G C -0.544 174.349 174.900 -0.011 0.000 1.372 82 G CA -0.284 44.813 45.100 -0.006 0.000 0.862 82 G HN 0.114 nan 8.290 nan 0.000 0.547 83 M N 0.943 120.540 119.600 -0.005 0.000 2.433 83 M HA 0.362 4.842 4.480 -0.001 0.000 0.290 83 M C -0.503 175.797 176.300 -0.001 0.000 1.173 83 M CA -0.782 54.515 55.300 -0.005 0.000 0.905 83 M CB 2.250 34.849 32.600 -0.001 0.000 1.692 83 M HN 0.939 nan 8.290 nan 0.000 0.462 84 D N 1.222 121.621 120.400 -0.001 0.000 2.411 84 D HA 0.227 4.866 4.640 -0.001 0.000 0.251 84 D C 0.755 177.059 176.300 0.006 0.000 1.201 84 D CA -0.470 53.530 54.000 0.000 0.000 0.996 84 D CB 0.763 41.562 40.800 -0.001 0.000 1.101 84 D HN 0.597 nan 8.370 nan 0.000 0.504 85 L N -0.791 120.436 121.223 0.007 0.000 2.079 85 L HA -0.153 4.187 4.340 -0.001 0.000 0.210 85 L C 2.333 179.211 176.870 0.014 0.000 1.081 85 L CA 1.335 56.182 54.840 0.011 0.000 0.752 85 L CB -0.351 41.714 42.059 0.010 0.000 0.896 85 L HN 0.482 nan 8.230 nan 0.000 0.433 86 E N 0.302 120.509 120.200 0.011 0.000 2.072 86 E HA -0.208 4.142 4.350 -0.001 0.000 0.191 86 E C 2.013 178.623 176.600 0.015 0.000 0.985 86 E CA 1.200 57.608 56.400 0.013 0.000 0.801 86 E CB 0.042 29.748 29.700 0.010 0.000 0.750 86 E HN 0.484 nan 8.360 nan 0.000 0.452 87 E N -0.480 119.728 120.200 0.012 0.000 2.058 87 E HA -0.148 4.201 4.350 -0.001 0.000 0.194 87 E C 2.071 178.684 176.600 0.021 0.000 0.997 87 E CA 1.728 58.137 56.400 0.014 0.000 0.801 87 E CB -0.132 29.571 29.700 0.005 0.000 0.746 87 E HN 0.206 nan 8.360 nan 0.000 0.450 88 T N 0.419 114.986 114.554 0.021 0.000 2.684 88 T HA -0.212 4.137 4.350 -0.001 0.000 0.267 88 T C 2.053 176.772 174.700 0.032 0.000 1.036 88 T CA 1.541 63.658 62.100 0.028 0.000 1.148 88 T CB -0.344 68.540 68.868 0.028 0.000 0.863 88 T HN 0.110 nan 8.240 nan 0.000 0.436 89 S N 0.354 116.071 115.700 0.027 0.000 2.368 89 S HA -0.109 4.361 4.470 -0.001 0.000 0.225 89 S C 2.157 176.775 174.600 0.030 0.000 1.030 89 S CA 1.220 59.437 58.200 0.028 0.000 0.999 89 S CB -0.526 62.688 63.200 0.023 0.000 0.844 89 S HN 0.295 nan 8.310 nan 0.000 0.459 90 V N 2.095 122.027 119.914 0.030 0.000 2.427 90 V HA -0.065 4.055 4.120 -0.001 0.000 0.248 90 V C 2.404 178.525 176.094 0.045 0.000 1.051 90 V CA 1.581 63.901 62.300 0.034 0.000 1.048 90 V CB -0.592 31.250 31.823 0.032 0.000 0.666 90 V HN 0.535 nan 8.190 nan 0.000 0.456 91 L N -0.177 121.076 121.223 0.050 0.000 2.093 91 L HA -0.148 4.192 4.340 -0.001 0.000 0.208 91 L C 2.455 179.361 176.870 0.062 0.000 1.085 91 L CA 2.088 56.969 54.840 0.067 0.000 0.755 91 L CB -0.637 41.463 42.059 0.069 0.000 0.904 91 L HN 0.412 nan 8.230 nan 0.000 0.435 92 T N -0.406 114.177 114.554 0.049 0.000 2.708 92 T HA -0.229 4.121 4.350 -0.001 0.000 0.266 92 T C 1.791 176.513 174.700 0.037 0.000 1.037 92 T CA 1.453 63.578 62.100 0.042 0.000 1.146 92 T CB -0.120 68.770 68.868 0.036 0.000 0.865 92 T HN 0.433 nan 8.240 nan 0.000 0.435 93 Q N 0.619 120.440 119.800 0.035 0.000 2.050 93 Q HA 0.003 4.343 4.340 -0.001 0.000 0.202 93 Q C 2.747 178.765 176.000 0.030 0.000 0.980 93 Q CA 1.411 57.231 55.803 0.030 0.000 0.840 93 Q CB -0.329 28.425 28.738 0.027 0.000 0.898 93 Q HN 0.550 nan 8.270 nan 0.000 0.424 94 A N 0.870 123.712 122.820 0.038 0.000 1.902 94 A HA -0.148 4.172 4.320 -0.001 0.000 0.217 94 A C 2.062 179.665 177.584 0.032 0.000 1.181 94 A CA 1.067 53.126 52.037 0.037 0.000 0.623 94 A CB -0.644 18.390 19.000 0.055 0.000 0.818 94 A HN 0.278 nan 8.150 nan 0.000 0.443 95 L N -0.939 120.309 121.223 0.041 0.000 2.093 95 L HA -0.177 4.162 4.340 -0.001 0.000 0.208 95 L C 3.092 179.978 176.870 0.025 0.000 1.085 95 L CA 1.076 55.938 54.840 0.037 0.000 0.755 95 L CB -0.670 41.420 42.059 0.052 0.000 0.904 95 L HN 0.454 nan 8.230 nan 0.000 0.435 96 A N -0.260 122.575 122.820 0.025 0.000 1.898 96 A HA -0.216 4.103 4.320 -0.001 0.000 0.216 96 A C 2.103 179.694 177.584 0.012 0.000 1.181 96 A CA 1.357 53.406 52.037 0.020 0.000 0.620 96 A CB -0.370 18.643 19.000 0.023 0.000 0.819 96 A HN 0.492 nan 8.150 nan 0.000 0.442 97 Q N 0.145 119.951 119.800 0.010 0.000 2.403 97 Q HA -0.002 4.338 4.340 -0.001 0.000 0.203 97 Q C 1.847 177.845 176.000 -0.003 0.000 0.932 97 Q CA 0.715 56.520 55.803 0.003 0.000 0.945 97 Q CB 0.007 28.748 28.738 0.005 0.000 1.045 97 Q HN 0.819 nan 8.270 nan 0.000 0.511 98 S N -1.016 114.683 115.700 -0.002 0.000 2.515 98 S HA 0.063 4.532 4.470 -0.001 0.000 0.231 98 S C 0.950 175.541 174.600 -0.015 0.000 0.987 98 S CA 0.355 58.548 58.200 -0.011 0.000 0.936 98 S CB 0.277 63.469 63.200 -0.013 0.000 0.766 98 S HN 0.328 nan 8.310 nan 0.000 0.528 99 G N -0.087 108.705 108.800 -0.013 0.000 3.247 99 G HA2 0.549 4.508 3.960 -0.001 0.000 0.226 99 G HA3 0.549 4.508 3.960 -0.001 0.000 0.226 99 G C -1.411 173.475 174.900 -0.022 0.000 1.220 99 G CA -0.956 44.134 45.100 -0.018 0.000 0.875 99 G HN 0.346 nan 8.290 nan 0.000 0.606 100 Q N -0.159 119.623 119.800 -0.030 0.000 2.299 100 Q HA 0.411 4.751 4.340 -0.001 0.000 0.246 100 Q C -0.582 175.390 176.000 -0.047 0.000 0.935 100 Q CA -0.333 55.443 55.803 -0.045 0.000 0.887 100 Q CB 1.686 30.387 28.738 -0.061 0.000 1.223 100 Q HN 0.450 nan 8.270 nan 0.000 0.439 101 Q N 1.667 121.432 119.800 -0.059 0.000 2.243 101 Q HA 0.311 4.651 4.340 -0.001 0.000 0.252 101 Q C -1.467 174.451 176.000 -0.136 0.000 0.909 101 Q CA -0.172 55.592 55.803 -0.065 0.000 0.922 101 Q CB 0.737 29.445 28.738 -0.049 0.000 1.215 101 Q HN 0.532 nan 8.270 nan 0.000 0.427 102 L N 3.955 125.079 121.223 -0.164 0.000 2.331 102 L HA 0.341 4.681 4.340 -0.001 0.000 0.278 102 L C 0.104 176.636 176.870 -0.564 0.000 1.106 102 L CA -0.232 54.358 54.840 -0.417 0.000 0.824 102 L CB 0.717 42.546 42.059 -0.384 0.000 1.142 102 L HN 0.604 nan 8.230 nan 0.000 0.443 103 E N 3.058 122.826 120.200 -0.720 0.000 2.183 103 E HA 0.378 4.728 4.350 -0.001 0.000 0.271 103 E C -1.455 174.734 176.600 -0.686 0.000 0.919 103 E CA -0.433 55.654 56.400 -0.521 0.000 0.781 103 E CB 2.011 31.539 29.700 -0.288 0.000 1.140 103 E HN 0.390 nan 8.360 nan 0.000 0.402 104 W N 1.297 122.579 121.300 -0.029 0.000 2.882 104 W HA 0.384 5.044 4.660 -0.001 0.000 0.345 104 W C -2.080 174.300 176.519 -0.233 0.000 1.125 104 W CA -2.109 55.175 57.345 -0.101 0.000 1.167 104 W CB 0.037 29.572 29.460 0.125 0.000 1.431 104 W HN 0.286 nan 8.180 nan 0.000 0.543 105 P HA -0.110 nan 4.420 nan 0.000 0.263 105 P C 1.051 178.266 177.300 -0.143 0.000 1.175 105 P CA 0.395 63.267 63.100 -0.380 0.000 0.761 105 P CB 0.698 31.865 31.700 -0.888 0.000 0.794 106 E N 3.116 123.279 120.200 -0.062 0.000 2.130 106 E HA -0.262 4.088 4.350 -0.001 0.000 0.196 106 E C 1.536 178.183 176.600 0.078 0.000 0.998 106 E CA 2.168 58.582 56.400 0.023 0.000 0.806 106 E CB -1.379 28.326 29.700 0.008 0.000 0.738 106 E HN 0.477 nan 8.360 nan 0.000 0.459 107 A N 0.278 123.139 122.820 0.069 0.000 2.125 107 A HA -0.088 4.232 4.320 -0.001 0.000 0.219 107 A C 1.547 179.346 177.584 0.359 0.000 1.156 107 A CA 1.058 53.202 52.037 0.178 0.000 0.671 107 A CB -0.889 18.216 19.000 0.175 0.000 0.794 107 A HN 0.334 nan 8.150 nan 0.000 0.459 108 W N -0.286 121.043 121.300 0.048 0.000 2.863 108 W HA 0.202 4.862 4.660 -0.001 0.000 0.258 108 W C 2.062 178.594 176.519 0.022 0.000 1.298 108 W CA -0.299 57.056 57.345 0.016 0.000 1.451 108 W CB -0.628 28.829 29.460 -0.005 0.000 1.107 108 W HN 0.447 nan 8.180 nan 0.000 0.641 109 R N 0.700 121.362 120.500 0.270 0.000 2.140 109 R HA -0.251 4.089 4.340 -0.001 0.000 0.250 109 R C 1.986 178.369 176.300 0.138 0.000 1.150 109 R CA 2.031 58.243 56.100 0.186 0.000 0.966 109 R CB -0.334 30.047 30.300 0.136 0.000 0.869 109 R HN 0.099 nan 8.270 nan 0.000 0.445 110 Q N -0.292 119.588 119.800 0.133 0.000 2.331 110 Q HA -0.085 4.255 4.340 -0.001 0.000 0.203 110 Q C 1.825 177.963 176.000 0.230 0.000 0.944 110 Q CA 1.064 56.941 55.803 0.122 0.000 0.892 110 Q CB 0.398 29.184 28.738 0.079 0.000 0.983 110 Q HN 0.592 nan 8.270 nan 0.000 0.482 111 Q N -0.115 119.779 119.800 0.156 0.000 2.389 111 Q HA 0.068 4.408 4.340 -0.001 0.000 0.204 111 Q C 0.134 176.098 176.000 -0.061 0.000 0.944 111 Q CA 0.076 55.892 55.803 0.021 0.000 0.908 111 Q CB 0.258 28.915 28.738 -0.134 0.000 1.002 111 Q HN 0.238 nan 8.270 nan 0.000 0.493 112 L N 2.282 123.490 121.223 -0.026 0.000 2.456 112 L HA 0.120 4.460 4.340 -0.001 0.000 0.277 112 L C -0.199 176.660 176.870 -0.019 0.000 1.124 112 L CA -0.447 54.345 54.840 -0.079 0.000 0.880 112 L CB 0.132 42.155 42.059 -0.060 0.000 1.192 112 L HN -0.091 nan 8.230 nan 0.000 0.463 113 V N -0.613 119.276 119.914 -0.042 0.000 3.078 113 V HA 0.806 4.926 4.120 -0.001 0.000 0.311 113 V C -1.145 174.952 176.094 0.004 0.000 1.138 113 V CA -0.653 61.648 62.300 0.002 0.000 1.007 113 V CB 2.527 34.358 31.823 0.013 0.000 1.045 113 V HN 0.549 nan 8.190 nan 0.000 0.432 114 D N 0.705 121.129 120.400 0.040 0.000 2.599 114 D HA 0.519 5.158 4.640 -0.001 0.000 0.252 114 D C -1.763 174.586 176.300 0.081 0.000 1.232 114 D CA -0.424 53.612 54.000 0.059 0.000 0.819 114 D CB 2.678 43.530 40.800 0.086 0.000 1.401 114 D HN 0.800 nan 8.370 nan 0.000 0.429 115 K N 1.224 121.678 120.400 0.090 0.000 2.422 115 K HA 0.467 4.787 4.320 -0.001 0.000 0.251 115 K C -1.748 174.932 176.600 0.133 0.000 0.933 115 K CA -0.505 55.842 56.287 0.098 0.000 0.798 115 K CB 1.470 34.003 32.500 0.056 0.000 1.238 115 K HN 0.659 nan 8.250 nan 0.000 0.428 116 H N -0.390 118.714 119.070 0.057 0.000 2.851 116 H HA 0.474 5.030 4.556 -0.001 0.000 0.372 116 H C -1.102 174.262 175.328 0.060 0.000 1.158 116 H CA -0.170 55.915 56.048 0.061 0.000 1.159 116 H CB 1.812 31.616 29.762 0.070 0.000 1.757 116 H HN 0.471 nan 8.280 nan 0.000 0.546 117 S N 0.760 116.452 115.700 -0.012 0.000 2.537 117 S HA 0.124 4.593 4.470 -0.001 0.000 0.301 117 S C 0.954 175.641 174.600 0.144 0.000 1.092 117 S CA -0.175 58.060 58.200 0.057 0.000 1.048 117 S CB 1.517 64.707 63.200 -0.018 0.000 1.053 117 S HN 0.834 nan 8.310 nan 0.000 0.501 118 T N -0.573 114.052 114.554 0.119 0.000 3.035 118 T HA 0.396 4.746 4.350 -0.001 0.000 0.268 118 T C 0.861 175.571 174.700 0.017 0.000 1.109 118 T CA 0.431 62.583 62.100 0.087 0.000 1.119 118 T CB -0.393 68.518 68.868 0.071 0.000 0.900 118 T HN 1.239 nan 8.240 nan 0.000 0.503 119 G N -1.298 107.506 108.800 0.007 0.000 2.379 119 G HA2 0.464 4.424 3.960 -0.001 0.000 0.609 119 G HA3 0.464 4.424 3.960 -0.001 0.000 0.609 119 G C -0.516 174.371 174.900 -0.022 0.000 1.484 119 G CA -0.495 44.588 45.100 -0.028 0.000 0.921 119 G HN 1.073 nan 8.290 nan 0.000 0.658 120 G N -0.739 108.048 108.800 -0.022 0.000 2.750 120 G HA2 0.642 4.601 3.960 -0.001 0.000 0.298 120 G HA3 0.642 4.601 3.960 -0.001 0.000 0.298 120 G C -0.588 174.307 174.900 -0.007 0.000 1.412 120 G CA 0.039 45.133 45.100 -0.010 0.000 1.078 120 G HN 1.518 nan 8.290 nan 0.000 0.573 121 V N 1.954 121.875 119.914 0.012 0.000 2.485 121 V HA 0.419 4.538 4.120 -0.001 0.000 0.287 121 V C 1.701 177.791 176.094 -0.006 0.000 1.022 121 V CA 1.692 64.002 62.300 0.017 0.000 1.067 121 V CB 0.652 32.504 31.823 0.047 0.000 0.967 121 V HN 2.237 nan 8.190 nan 0.000 0.479 122 G N 3.919 112.703 108.800 -0.028 0.000 2.153 122 G HA2 -0.236 3.724 3.960 -0.001 0.000 0.252 122 G HA3 -0.236 3.724 3.960 -0.001 0.000 0.252 122 G C 0.059 174.934 174.900 -0.042 0.000 0.994 122 G CA 0.233 45.309 45.100 -0.041 0.000 0.698 122 G HN 0.849 nan 8.290 nan 0.000 0.521 123 D N 0.878 121.254 120.400 -0.040 0.000 2.374 123 D HA 0.320 4.960 4.640 -0.001 0.000 0.240 123 D C 1.340 177.608 176.300 -0.053 0.000 1.229 123 D CA -0.183 53.793 54.000 -0.040 0.000 0.895 123 D CB 0.211 40.993 40.800 -0.030 0.000 1.046 123 D HN 0.506 nan 8.370 nan 0.000 0.498 124 K N 3.028 123.392 120.400 -0.060 0.000 2.618 124 K HA 0.099 4.419 4.320 -0.001 0.000 0.207 124 K C 0.618 177.172 176.600 -0.077 0.000 1.058 124 K CA -0.329 55.915 56.287 -0.073 0.000 1.086 124 K CB 0.240 32.689 32.500 -0.085 0.000 0.827 124 K HN 0.130 nan 8.250 nan 0.000 0.481 125 V N 1.173 121.051 119.914 -0.061 0.000 2.380 125 V HA -0.262 3.858 4.120 -0.001 0.000 0.251 125 V C 2.047 178.104 176.094 -0.061 0.000 1.063 125 V CA 2.224 64.490 62.300 -0.056 0.000 1.055 125 V CB -0.408 31.395 31.823 -0.035 0.000 0.657 125 V HN 0.474 nan 8.190 nan 0.000 0.455 126 S N -0.211 115.454 115.700 -0.058 0.000 2.383 126 S HA -0.048 4.422 4.470 -0.001 0.000 0.227 126 S C 1.861 176.436 174.600 -0.043 0.000 1.026 126 S CA 1.206 59.378 58.200 -0.047 0.000 0.981 126 S CB -0.304 62.862 63.200 -0.056 0.000 0.818 126 S HN 0.495 nan 8.310 nan 0.000 0.472 127 L N 0.930 122.110 121.223 -0.071 0.000 2.127 127 L HA -0.096 4.243 4.340 -0.001 0.000 0.211 127 L C 2.099 178.829 176.870 -0.232 0.000 1.089 127 L CA 0.875 55.649 54.840 -0.110 0.000 0.757 127 L CB -0.580 41.383 42.059 -0.161 0.000 0.899 127 L HN 0.234 nan 8.230 nan 0.000 0.434 128 V N -1.200 118.598 119.914 -0.193 0.000 2.575 128 V HA -0.132 3.987 4.120 -0.001 0.000 0.242 128 V C 2.078 178.110 176.094 -0.105 0.000 1.045 128 V CA 0.702 62.885 62.300 -0.195 0.000 1.065 128 V CB -0.068 31.661 31.823 -0.157 0.000 0.717 128 V HN 0.220 nan 8.190 nan 0.000 0.467 129 L N 0.965 122.148 121.223 -0.066 0.000 2.109 129 L HA 0.092 4.432 4.340 -0.001 0.000 0.207 129 L C 2.445 179.302 176.870 -0.021 0.000 1.086 129 L CA 2.076 56.894 54.840 -0.037 0.000 0.760 129 L CB -0.948 41.097 42.059 -0.024 0.000 0.910 129 L HN 0.227 nan 8.230 nan 0.000 0.437 130 A N 0.865 123.682 122.820 -0.005 0.000 1.851 130 A HA -0.103 4.217 4.320 -0.001 0.000 0.216 130 A C -0.084 177.510 177.584 0.016 0.000 1.195 130 A CA 1.982 54.028 52.037 0.014 0.000 0.622 130 A CB -2.139 16.890 19.000 0.048 0.000 0.831 130 A HN 0.464 nan 8.150 nan 0.000 0.444 131 P HA -0.061 nan 4.420 nan 0.000 0.219 131 P C 1.508 178.812 177.300 0.007 0.000 1.150 131 P CA 1.761 64.900 63.100 0.064 0.000 0.814 131 P CB -0.134 31.667 31.700 0.169 0.000 0.787 132 A N 0.295 123.105 122.820 -0.016 0.000 1.898 132 A HA -0.111 4.208 4.320 -0.001 0.000 0.216 132 A C 2.404 179.965 177.584 -0.039 0.000 1.181 132 A CA 1.235 53.254 52.037 -0.030 0.000 0.620 132 A CB -1.566 17.412 19.000 -0.038 0.000 0.819 132 A HN 0.122 nan 8.150 nan 0.000 0.442 133 L N -0.871 120.326 121.223 -0.043 0.000 2.093 133 L HA -0.156 4.184 4.340 -0.001 0.000 0.208 133 L C 3.098 179.909 176.870 -0.098 0.000 1.085 133 L CA 0.883 55.684 54.840 -0.065 0.000 0.755 133 L CB -0.543 41.481 42.059 -0.059 0.000 0.904 133 L HN 0.440 nan 8.230 nan 0.000 0.435 134 A N 0.253 123.018 122.820 -0.091 0.000 1.908 134 A HA -0.226 4.094 4.320 -0.001 0.000 0.218 134 A C 2.470 179.993 177.584 -0.101 0.000 1.181 134 A CA 1.866 53.834 52.037 -0.115 0.000 0.627 134 A CB -0.680 18.266 19.000 -0.091 0.000 0.818 134 A HN 0.414 nan 8.150 nan 0.000 0.445 135 A N -1.668 121.113 122.820 -0.067 0.000 2.067 135 A HA -0.058 4.262 4.320 -0.001 0.000 0.219 135 A C 1.805 179.351 177.584 -0.064 0.000 1.158 135 A CA 1.383 53.387 52.037 -0.054 0.000 0.661 135 A CB -0.892 18.089 19.000 -0.032 0.000 0.801 135 A HN 0.594 nan 8.150 nan 0.000 0.452 136 C N -0.627 118.626 119.300 -0.080 0.000 2.625 136 C HA 0.474 4.933 4.460 -0.001 0.000 0.285 136 C C 1.779 176.685 174.990 -0.139 0.000 1.279 136 C CA 0.046 59.011 59.018 -0.088 0.000 1.698 136 C CB -1.391 26.304 27.740 -0.075 0.000 1.821 136 C HN 1.025 nan 8.230 nan 0.000 0.600 137 G N 0.196 108.905 108.800 -0.151 0.000 2.160 137 G HA2 -0.225 3.734 3.960 -0.001 0.000 0.244 137 G HA3 -0.225 3.734 3.960 -0.001 0.000 0.244 137 G C -0.018 174.712 174.900 -0.283 0.000 1.022 137 G CA 0.096 45.081 45.100 -0.191 0.000 0.741 137 G HN 0.539 nan 8.290 nan 0.000 0.508 138 C N 0.122 119.258 119.300 -0.273 0.000 2.407 138 C HA 0.849 5.308 4.460 -0.001 0.000 0.366 138 C C 0.209 175.019 174.990 -0.300 0.000 1.213 138 C CA -1.024 57.817 59.018 -0.296 0.000 2.011 138 C CB 1.764 29.363 27.740 -0.235 0.000 2.306 138 C HN 0.410 nan 8.230 nan 0.000 0.527 139 K N 1.539 121.744 120.400 -0.326 0.000 2.323 139 K HA 0.573 4.893 4.320 -0.001 0.000 0.259 139 K C -1.406 175.017 176.600 -0.295 0.000 0.947 139 K CA -0.306 55.736 56.287 -0.409 0.000 0.819 139 K CB 1.650 33.775 32.500 -0.625 0.000 1.109 139 K HN 0.429 nan 8.250 nan 0.000 0.429 140 V N 4.992 124.760 119.914 -0.244 0.000 2.289 140 V HA 0.212 4.332 4.120 -0.001 0.000 0.272 140 V C -2.152 173.868 176.094 -0.123 0.000 1.026 140 V CA -1.511 60.704 62.300 -0.142 0.000 0.807 140 V CB 1.388 33.166 31.823 -0.074 0.000 1.044 140 V HN 0.525 nan 8.190 nan 0.000 0.443 141 P HA 0.188 nan 4.420 nan 0.000 0.214 141 P C -0.048 177.305 177.300 0.088 0.000 1.826 141 P CA -0.218 62.865 63.100 -0.028 0.000 0.977 141 P CB 0.299 31.975 31.700 -0.040 0.000 1.930 142 M N 2.829 122.475 119.600 0.077 0.000 2.292 142 M HA 0.206 4.685 4.480 -0.001 0.000 0.342 142 M C -0.506 175.871 176.300 0.129 0.000 1.538 142 M CA -0.157 55.208 55.300 0.107 0.000 1.163 142 M CB -0.092 32.560 32.600 0.086 0.000 1.823 142 M HN 0.034 nan 8.290 nan 0.000 0.462 143 I N 4.192 124.850 120.570 0.147 0.000 2.312 143 I HA 0.211 4.381 4.170 -0.001 0.000 0.291 143 I C 0.260 176.480 176.117 0.171 0.000 1.031 143 I CA -0.171 61.207 61.300 0.131 0.000 1.293 143 I CB 1.365 39.430 38.000 0.108 0.000 1.403 143 I HN 0.678 nan 8.210 nan 0.000 0.484 144 S N 3.830 119.603 115.700 0.123 0.000 2.841 144 S HA 0.914 5.383 4.470 -0.001 0.000 0.274 144 S C -0.226 174.395 174.600 0.035 0.000 1.044 144 S CA -0.297 57.977 58.200 0.124 0.000 0.952 144 S CB 1.795 65.023 63.200 0.046 0.000 1.331 144 S HN 0.756 nan 8.310 nan 0.000 0.610 145 G N -0.098 108.707 108.800 0.008 0.000 2.684 145 G HA2 0.588 4.547 3.960 -0.001 0.000 0.290 145 G HA3 0.588 4.547 3.960 -0.001 0.000 0.290 145 G C -1.351 173.568 174.900 0.031 0.000 1.425 145 G CA -0.733 44.280 45.100 -0.146 0.000 0.822 145 G HN 0.653 nan 8.290 nan 0.000 0.482 146 R N -0.842 119.691 120.500 0.054 0.000 2.527 146 R HA 0.543 4.883 4.340 -0.001 0.000 0.236 146 R C 1.171 177.661 176.300 0.316 0.000 1.257 146 R CA -0.021 56.191 56.100 0.186 0.000 1.088 146 R CB 0.147 30.536 30.300 0.147 0.000 1.396 146 R HN 0.632 nan 8.270 nan 0.000 0.571 147 G N 0.143 109.078 108.800 0.225 0.000 2.630 147 G HA2 0.270 4.230 3.960 -0.001 0.000 0.236 147 G HA3 0.270 4.230 3.960 -0.001 0.000 0.236 147 G C -1.030 173.948 174.900 0.131 0.000 1.248 147 G CA -0.137 45.070 45.100 0.178 0.000 0.844 147 G HN 0.168 nan 8.290 nan 0.000 0.588 148 L N 1.527 122.763 121.223 0.022 0.000 2.620 148 L HA 0.554 4.893 4.340 -0.001 0.000 0.261 148 L C 0.731 177.525 176.870 -0.128 0.000 0.978 148 L CA 1.136 55.905 54.840 -0.118 0.000 0.897 148 L CB 0.827 42.722 42.059 -0.272 0.000 1.207 148 L HN 1.531 nan 8.230 nan 0.000 0.425 149 G N 3.287 112.046 108.800 -0.068 0.000 2.543 149 G HA2 -0.343 3.617 3.960 -0.001 0.000 0.286 149 G HA3 -0.343 3.617 3.960 -0.001 0.000 0.286 149 G C 0.676 175.561 174.900 -0.025 0.000 1.153 149 G CA 0.531 45.572 45.100 -0.098 0.000 0.968 149 G HN 1.140 nan 8.290 nan 0.000 0.544 150 H N 0.611 119.653 119.070 -0.047 0.000 2.517 150 H HA 0.382 4.938 4.556 -0.001 0.000 0.282 150 H C 0.161 175.515 175.328 0.044 0.000 1.023 150 H CA 0.987 57.035 56.048 -0.000 0.000 1.169 150 H CB -0.210 29.500 29.762 -0.086 0.000 1.454 150 H HN 0.394 nan 8.280 nan 0.000 0.556 151 T N 1.278 115.773 114.554 -0.099 0.000 2.794 151 T HA 0.454 4.804 4.350 -0.001 0.000 0.280 151 T C 0.763 175.475 174.700 0.019 0.000 0.987 151 T CA -0.322 61.752 62.100 -0.044 0.000 0.993 151 T CB 1.880 70.673 68.868 -0.126 0.000 0.939 151 T HN 0.477 nan 8.240 nan 0.000 0.449 152 G N 1.088 109.902 108.800 0.023 0.000 2.539 152 G HA2 0.557 4.517 3.960 -0.001 0.000 0.258 152 G HA3 0.557 4.517 3.960 -0.001 0.000 0.258 152 G C 0.049 174.987 174.900 0.064 0.000 1.202 152 G CA -0.618 44.513 45.100 0.051 0.000 0.851 152 G HN 0.900 nan 8.290 nan 0.000 0.556 153 G N -0.829 108.051 108.800 0.133 0.000 2.495 153 G HA2 0.438 4.398 3.960 -0.001 0.000 0.318 153 G HA3 0.438 4.398 3.960 -0.001 0.000 0.318 153 G C 0.815 175.771 174.900 0.092 0.000 1.257 153 G CA 0.002 45.172 45.100 0.117 0.000 0.962 153 G HN 0.488 nan 8.290 nan 0.000 0.483 154 T N 2.115 116.693 114.554 0.041 0.000 2.737 154 T HA -0.178 4.171 4.350 -0.001 0.000 0.269 154 T C 2.462 177.172 174.700 0.017 0.000 1.040 154 T CA 1.241 63.349 62.100 0.012 0.000 1.142 154 T CB -0.238 68.621 68.868 -0.016 0.000 0.861 154 T HN 0.324 nan 8.240 nan 0.000 0.456 155 L N 0.721 121.966 121.223 0.037 0.000 2.083 155 L HA -0.103 4.237 4.340 -0.001 0.000 0.209 155 L C 2.458 179.345 176.870 0.028 0.000 1.083 155 L CA 1.152 56.014 54.840 0.037 0.000 0.752 155 L CB -0.568 41.516 42.059 0.041 0.000 0.899 155 L HN 0.178 nan 8.230 nan 0.000 0.433 156 D N 0.232 120.664 120.400 0.053 0.000 2.183 156 D HA -0.120 4.520 4.640 -0.001 0.000 0.203 156 D C 2.166 178.499 176.300 0.054 0.000 0.969 156 D CA 0.977 54.981 54.000 0.007 0.000 0.842 156 D CB 0.075 40.867 40.800 -0.013 0.000 0.957 156 D HN 0.303 nan 8.370 nan 0.000 0.484 157 K N 0.401 120.913 120.400 0.186 0.000 2.026 157 K HA -0.043 4.276 4.320 -0.001 0.000 0.208 157 K C 2.308 178.897 176.600 -0.018 0.000 1.048 157 K CA 0.621 56.993 56.287 0.142 0.000 0.929 157 K CB -0.169 32.369 32.500 0.062 0.000 0.713 157 K HN 0.093 nan 8.250 nan 0.000 0.439 158 L N 1.301 122.445 121.223 -0.131 0.000 2.131 158 L HA -0.179 4.161 4.340 -0.001 0.000 0.210 158 L C 1.980 178.685 176.870 -0.275 0.000 1.092 158 L CA 1.212 55.819 54.840 -0.388 0.000 0.759 158 L CB -0.281 41.301 42.059 -0.795 0.000 0.903 158 L HN 0.224 nan 8.230 nan 0.000 0.435 159 E N -0.454 119.692 120.200 -0.091 0.000 2.478 159 E HA -0.124 4.225 4.350 -0.001 0.000 0.198 159 E C 2.115 178.710 176.600 -0.009 0.000 1.046 159 E CA 0.919 57.320 56.400 0.003 0.000 0.870 159 E CB 0.055 29.763 29.700 0.012 0.000 0.818 159 E HN 0.552 nan 8.360 nan 0.000 0.527 160 S N 0.511 116.195 115.700 -0.027 0.000 2.481 160 S HA -0.047 4.422 4.470 -0.001 0.000 0.231 160 S C 1.021 175.621 174.600 -0.000 0.000 0.996 160 S CA 0.193 58.387 58.200 -0.011 0.000 0.942 160 S CB -0.319 62.885 63.200 0.006 0.000 0.768 160 S HN 0.096 nan 8.310 nan 0.000 0.520 161 I N 3.423 123.990 120.570 -0.005 0.000 2.363 161 I HA 0.269 4.438 4.170 -0.001 0.000 0.292 161 I C -2.581 173.576 176.117 0.068 0.000 1.075 161 I CA -2.440 58.874 61.300 0.023 0.000 1.333 161 I CB 0.398 38.398 38.000 0.001 0.000 1.415 161 I HN -0.074 nan 8.210 nan 0.000 0.502 162 P HA 0.005 nan 4.420 nan 0.000 0.260 162 P C 0.928 178.264 177.300 0.060 0.000 1.185 162 P CA 0.768 63.895 63.100 0.045 0.000 0.763 162 P CB 0.545 32.261 31.700 0.025 0.000 0.776 163 G N 2.809 111.645 108.800 0.060 0.000 2.195 163 G HA2 -0.292 3.668 3.960 -0.001 0.000 0.246 163 G HA3 -0.292 3.668 3.960 -0.001 0.000 0.246 163 G C 0.046 174.977 174.900 0.052 0.000 0.984 163 G CA -0.546 44.578 45.100 0.040 0.000 0.633 163 G HN 0.525 nan 8.290 nan 0.000 0.525 164 F N 2.316 122.247 119.950 -0.032 0.000 2.541 164 F HA 0.559 5.085 4.527 -0.000 0.000 0.378 164 F C 0.398 176.182 175.800 -0.026 0.000 1.068 164 F CA -0.720 57.258 58.000 -0.037 0.000 1.199 164 F CB 0.571 39.548 39.000 -0.039 0.000 1.091 164 F HN 0.080 nan 8.300 nan 0.000 0.555 165 N N 5.140 123.610 118.700 -0.384 0.000 2.437 165 N HA 0.170 4.910 4.740 -0.001 0.000 0.259 165 N C 0.587 175.964 175.510 -0.222 0.000 0.983 165 N CA -0.435 52.493 53.050 -0.204 0.000 0.937 165 N CB 1.451 39.828 38.487 -0.184 0.000 1.122 165 N HN 0.495 nan 8.380 nan 0.000 0.499 166 V N 1.811 121.749 119.914 0.040 0.000 3.306 166 V HA 0.313 4.433 4.120 -0.001 0.000 0.264 166 V C 0.820 176.934 176.094 0.033 0.000 1.149 166 V CA 0.698 63.068 62.300 0.118 0.000 1.143 166 V CB -0.472 31.454 31.823 0.172 0.000 0.767 166 V HN 0.496 nan 8.190 nan 0.000 0.476 167 I N 1.731 122.295 120.570 -0.009 0.000 2.312 167 I HA 0.588 4.758 4.170 -0.001 0.000 0.290 167 I C -0.431 175.668 176.117 -0.029 0.000 1.008 167 I CA 0.021 61.314 61.300 -0.012 0.000 1.226 167 I CB 1.384 39.377 38.000 -0.010 0.000 1.371 167 I HN 0.269 nan 8.210 nan 0.000 0.468 168 Q N 4.497 124.289 119.800 -0.013 0.000 2.271 168 Q HA 0.285 4.624 4.340 -0.001 0.000 0.268 168 Q C -0.479 175.526 176.000 0.008 0.000 1.021 168 Q CA -0.472 55.324 55.803 -0.012 0.000 0.802 168 Q CB 2.140 30.872 28.738 -0.010 0.000 1.282 168 Q HN 0.740 nan 8.270 nan 0.000 0.431 169 S N 2.763 118.464 115.700 0.000 0.000 2.593 169 S HA 0.322 4.792 4.470 -0.001 0.000 0.269 169 S C -1.690 172.915 174.600 0.008 0.000 1.334 169 S CA -0.703 57.495 58.200 -0.003 0.000 1.015 169 S CB 0.676 63.868 63.200 -0.013 0.000 0.912 169 S HN 0.528 nan 8.310 nan 0.000 0.541 170 P HA -0.213 nan 4.420 nan 0.000 0.217 170 P C 1.588 178.858 177.300 -0.050 0.000 1.151 170 P CA 1.705 64.770 63.100 -0.059 0.000 0.849 170 P CB -0.059 31.572 31.700 -0.114 0.000 0.787 171 E N -0.119 120.063 120.200 -0.031 0.000 2.158 171 E HA -0.176 4.174 4.350 -0.001 0.000 0.191 171 E C 1.898 178.525 176.600 0.045 0.000 0.982 171 E CA 1.019 57.415 56.400 -0.007 0.000 0.823 171 E CB -0.975 28.711 29.700 -0.022 0.000 0.766 171 E HN 0.345 nan 8.360 nan 0.000 0.468 172 Q N 0.193 120.016 119.800 0.039 0.000 2.124 172 Q HA 0.010 4.350 4.340 -0.001 0.000 0.202 172 Q C 2.349 178.410 176.000 0.101 0.000 0.977 172 Q CA 1.545 57.377 55.803 0.049 0.000 0.850 172 Q CB -0.149 28.598 28.738 0.016 0.000 0.901 172 Q HN 0.316 nan 8.270 nan 0.000 0.429 173 M N 0.078 119.768 119.600 0.149 0.000 2.213 173 M HA -0.203 4.276 4.480 -0.001 0.000 0.263 173 M C 2.047 178.603 176.300 0.428 0.000 1.062 173 M CA 1.202 56.664 55.300 0.269 0.000 1.105 173 M CB -0.129 32.689 32.600 0.362 0.000 1.385 173 M HN 0.214 nan 8.290 nan 0.000 0.417 174 Q N -0.203 119.861 119.800 0.440 0.000 2.050 174 Q HA -0.145 4.194 4.340 -0.001 0.000 0.202 174 Q C 2.250 178.474 176.000 0.374 0.000 0.980 174 Q CA 1.562 57.680 55.803 0.524 0.000 0.840 174 Q CB -0.469 28.437 28.738 0.280 0.000 0.898 174 Q HN 0.423 nan 8.270 nan 0.000 0.424 175 V N 1.536 121.581 119.914 0.218 0.000 2.343 175 V HA -0.257 3.863 4.120 -0.001 0.000 0.247 175 V C 2.441 178.606 176.094 0.118 0.000 1.051 175 V CA 1.462 63.850 62.300 0.146 0.000 1.036 175 V CB -0.706 31.166 31.823 0.081 0.000 0.654 175 V HN 0.265 nan 8.190 nan 0.000 0.451 176 L N -0.690 120.594 121.223 0.102 0.000 2.017 176 L HA -0.180 4.159 4.340 -0.001 0.000 0.208 176 L C 2.455 179.335 176.870 0.016 0.000 1.073 176 L CA 1.422 56.290 54.840 0.046 0.000 0.745 176 L CB -0.693 41.388 42.059 0.037 0.000 0.894 176 L HN 0.269 nan 8.230 nan 0.000 0.432 177 L N -0.296 120.945 121.223 0.028 0.000 2.191 177 L HA -0.215 4.124 4.340 -0.001 0.000 0.212 177 L C 2.042 178.801 176.870 -0.186 0.000 1.103 177 L CA 1.483 56.228 54.840 -0.158 0.000 0.769 177 L CB -0.717 41.179 42.059 -0.272 0.000 0.908 177 L HN 0.356 nan 8.230 nan 0.000 0.438 178 D N -0.602 119.849 120.400 0.085 0.000 2.149 178 D HA -0.151 4.489 4.640 -0.001 0.000 0.201 178 D C 2.303 178.625 176.300 0.037 0.000 0.972 178 D CA 1.030 55.116 54.000 0.143 0.000 0.835 178 D CB 0.319 41.276 40.800 0.261 0.000 0.966 178 D HN 0.284 nan 8.370 nan 0.000 0.476 179 Q N -0.775 119.038 119.800 0.021 0.000 2.089 179 Q HA 0.166 4.506 4.340 -0.001 0.000 0.195 179 Q C 1.662 177.645 176.000 -0.028 0.000 0.963 179 Q CA 1.167 56.971 55.803 0.001 0.000 0.834 179 Q CB 0.198 28.939 28.738 0.005 0.000 0.906 179 Q HN 0.247 nan 8.270 nan 0.000 0.452 180 A N -0.744 122.049 122.820 -0.044 0.000 2.229 180 A HA 0.413 4.732 4.320 -0.001 0.000 0.211 180 A C 1.450 178.981 177.584 -0.087 0.000 1.193 180 A CA 0.760 52.768 52.037 -0.049 0.000 0.879 180 A CB 0.414 19.395 19.000 -0.030 0.000 0.911 180 A HN 0.428 nan 8.150 nan 0.000 0.492 181 G N -1.251 107.459 108.800 -0.150 0.000 2.179 181 G HA2 -0.280 3.680 3.960 -0.001 0.000 0.260 181 G HA3 -0.280 3.680 3.960 -0.001 0.000 0.260 181 G C 0.467 175.234 174.900 -0.221 0.000 0.977 181 G CA 0.672 45.626 45.100 -0.243 0.000 0.641 181 G HN 1.959 nan 8.290 nan 0.000 0.533 182 C N -1.595 117.625 119.300 -0.134 0.000 3.311 182 C HA 0.914 5.374 4.460 -0.001 0.000 0.325 182 C C 0.137 175.113 174.990 -0.023 0.000 1.352 182 C CA -0.694 58.274 59.018 -0.083 0.000 1.308 182 C CB 1.447 29.168 27.740 -0.031 0.000 1.619 182 C HN 2.044 nan 8.230 nan 0.000 0.469 183 C N 0.414 119.724 119.300 0.017 0.000 3.307 183 C HA 0.822 5.282 4.460 -0.001 0.000 0.333 183 C C -1.335 173.723 174.990 0.114 0.000 1.291 183 C CA -0.637 58.425 59.018 0.072 0.000 1.273 183 C CB 0.168 27.945 27.740 0.061 0.000 1.580 183 C HN 1.081 nan 8.230 nan 0.000 0.481 184 I N 3.084 123.766 120.570 0.187 0.000 2.439 184 I HA 0.640 4.810 4.170 -0.001 0.000 0.283 184 I C 0.065 176.313 176.117 0.218 0.000 1.023 184 I CA -0.444 60.969 61.300 0.189 0.000 1.100 184 I CB 1.604 39.713 38.000 0.180 0.000 1.238 184 I HN 0.851 nan 8.210 nan 0.000 0.445 185 V N 2.356 122.358 119.914 0.148 0.000 3.126 185 V HA 0.999 5.118 4.120 -0.001 0.000 0.314 185 V C 0.083 176.228 176.094 0.085 0.000 1.138 185 V CA -0.527 61.843 62.300 0.118 0.000 1.034 185 V CB 1.654 33.530 31.823 0.088 0.000 1.075 185 V HN 0.665 nan 8.190 nan 0.000 0.442 186 G N 0.989 109.821 108.800 0.054 0.000 2.509 186 G HA2 0.560 4.519 3.960 -0.001 0.000 0.328 186 G HA3 0.560 4.519 3.960 -0.001 0.000 0.328 186 G C -0.475 174.419 174.900 -0.009 0.000 1.194 186 G CA -0.765 44.338 45.100 0.006 0.000 0.967 186 G HN 1.044 nan 8.290 nan 0.000 0.488 187 Q N -0.377 119.393 119.800 -0.051 0.000 2.392 187 Q HA 0.386 4.726 4.340 -0.001 0.000 0.262 187 Q C -0.042 175.941 176.000 -0.028 0.000 1.003 187 Q CA 0.037 55.816 55.803 -0.040 0.000 0.888 187 Q CB 0.993 29.690 28.738 -0.068 0.000 1.260 187 Q HN 0.655 nan 8.270 nan 0.000 0.435 188 S N 0.480 116.170 115.700 -0.016 0.000 2.880 188 S HA 0.268 4.738 4.470 -0.001 0.000 0.308 188 S C 0.484 175.075 174.600 -0.014 0.000 1.195 188 S CA -0.651 57.541 58.200 -0.014 0.000 0.866 188 S CB 0.830 64.024 63.200 -0.009 0.000 1.254 188 S HN 0.615 nan 8.310 nan 0.000 0.571 189 E N 0.358 120.549 120.200 -0.015 0.000 2.208 189 E HA -0.080 4.270 4.350 -0.001 0.000 0.193 189 E C 1.314 177.903 176.600 -0.018 0.000 0.988 189 E CA 0.830 57.220 56.400 -0.017 0.000 0.828 189 E CB -0.117 29.573 29.700 -0.017 0.000 0.763 189 E HN 0.418 nan 8.360 nan 0.000 0.478 190 Q N -0.152 119.637 119.800 -0.018 0.000 2.339 190 Q HA 0.163 4.503 4.340 -0.001 0.000 0.205 190 Q C 0.711 176.700 176.000 -0.018 0.000 0.925 190 Q CA 0.478 56.268 55.803 -0.021 0.000 0.898 190 Q CB 0.573 29.296 28.738 -0.025 0.000 1.013 190 Q HN 0.241 nan 8.270 nan 0.000 0.504 191 L N 1.129 122.346 121.223 -0.010 0.000 2.294 191 L HA 0.292 4.632 4.340 -0.001 0.000 0.283 191 L C 0.068 176.938 176.870 -0.001 0.000 1.015 191 L CA -0.866 53.974 54.840 -0.001 0.000 0.831 191 L CB 1.924 43.991 42.059 0.013 0.000 1.217 191 L HN -0.226 nan 8.230 nan 0.000 0.420 192 V N 3.717 123.632 119.914 0.001 0.000 5.482 192 V HA -0.223 3.896 4.120 -0.001 0.000 0.262 192 V C -1.131 174.962 176.094 -0.002 0.000 0.664 192 V CA 0.496 62.799 62.300 0.004 0.000 0.609 192 V CB -1.426 30.404 31.823 0.012 0.000 0.306 192 V HN 0.787 nan 8.190 nan 0.000 0.731 193 P HA -0.173 nan 4.420 nan 0.000 0.218 193 P C 1.633 178.927 177.300 -0.010 0.000 1.148 193 P CA 2.130 65.222 63.100 -0.013 0.000 0.822 193 P CB 0.264 31.952 31.700 -0.019 0.000 0.784 194 A N 0.185 122.999 122.820 -0.010 0.000 1.969 194 A HA -0.210 4.110 4.320 -0.001 0.000 0.218 194 A C 2.175 179.776 177.584 0.028 0.000 1.169 194 A CA 2.096 54.126 52.037 -0.012 0.000 0.635 194 A CB -1.574 17.413 19.000 -0.021 0.000 0.810 194 A HN 0.169 nan 8.150 nan 0.000 0.445 195 D N -0.701 119.725 120.400 0.042 0.000 2.117 195 D HA -0.016 4.624 4.640 -0.001 0.000 0.198 195 D C 1.998 178.357 176.300 0.098 0.000 0.982 195 D CA 1.593 55.644 54.000 0.085 0.000 0.828 195 D CB -0.432 40.412 40.800 0.074 0.000 0.967 195 D HN 0.269 nan 8.370 nan 0.000 0.464 196 G N 1.042 109.858 108.800 0.027 0.000 2.446 196 G HA2 -0.227 3.733 3.960 -0.001 0.000 0.217 196 G HA3 -0.227 3.733 3.960 -0.001 0.000 0.217 196 G C 1.668 176.606 174.900 0.063 0.000 1.168 196 G CA 1.031 46.132 45.100 0.002 0.000 0.771 196 G HN 0.319 nan 8.290 nan 0.000 0.551 197 I N 0.203 120.802 120.570 0.048 0.000 2.127 197 I HA -0.115 4.055 4.170 -0.001 0.000 0.241 197 I C 2.719 178.889 176.117 0.089 0.000 1.075 197 I CA 0.958 62.288 61.300 0.050 0.000 1.334 197 I CB -1.000 37.004 38.000 0.007 0.000 1.040 197 I HN 0.076 nan 8.210 nan 0.000 0.405 198 L N -0.071 121.216 121.223 0.107 0.000 2.056 198 L HA -0.211 4.129 4.340 -0.001 0.000 0.207 198 L C 2.562 179.528 176.870 0.161 0.000 1.078 198 L CA 1.637 56.557 54.840 0.134 0.000 0.749 198 L CB -1.468 40.678 42.059 0.145 0.000 0.901 198 L HN 0.176 nan 8.230 nan 0.000 0.433 199 Y N 0.374 120.702 120.300 0.046 0.000 2.128 199 Y HA -0.319 4.231 4.550 -0.000 0.000 0.284 199 Y C 2.425 178.349 175.900 0.039 0.000 1.154 199 Y CA 1.810 59.936 58.100 0.043 0.000 1.149 199 Y CB -0.381 38.106 38.460 0.045 0.000 0.976 199 Y HN 0.151 nan 8.280 nan 0.000 0.505 200 A N -0.049 122.959 122.820 0.315 0.000 1.933 200 A HA -0.097 4.223 4.320 -0.001 0.000 0.218 200 A C 2.371 180.024 177.584 0.115 0.000 1.175 200 A CA 1.864 54.023 52.037 0.203 0.000 0.628 200 A CB -1.365 17.718 19.000 0.139 0.000 0.814 200 A HN 0.585 nan 8.150 nan 0.000 0.444 201 A N -0.360 122.518 122.820 0.098 0.000 1.898 201 A HA -0.046 4.274 4.320 -0.001 0.000 0.214 201 A C 2.206 179.817 177.584 0.046 0.000 1.183 201 A CA 1.227 53.306 52.037 0.070 0.000 0.622 201 A CB -0.394 18.651 19.000 0.076 0.000 0.824 201 A HN 0.510 nan 8.150 nan 0.000 0.444 202 R N -0.326 120.191 120.500 0.028 0.000 2.091 202 R HA -0.178 4.162 4.340 -0.001 0.000 0.238 202 R C 1.974 178.245 176.300 -0.049 0.000 1.136 202 R CA 1.478 57.566 56.100 -0.022 0.000 0.959 202 R CB -0.468 29.793 30.300 -0.066 0.000 0.856 202 R HN 0.596 nan 8.270 nan 0.000 0.437 203 D N 0.327 120.690 120.400 -0.062 0.000 2.170 203 D HA -0.161 4.479 4.640 -0.001 0.000 0.193 203 D C 1.330 177.638 176.300 0.013 0.000 1.004 203 D CA 1.835 55.811 54.000 -0.039 0.000 0.860 203 D CB 0.160 40.972 40.800 0.019 0.000 0.931 203 D HN 0.222 nan 8.370 nan 0.000 0.448 204 V N -2.822 117.111 119.914 0.031 0.000 3.276 204 V HA 0.391 4.511 4.120 -0.001 0.000 0.319 204 V C 0.959 177.075 176.094 0.037 0.000 1.427 204 V CA 0.670 62.999 62.300 0.049 0.000 1.102 204 V CB 0.035 31.895 31.823 0.061 0.000 1.020 204 V HN 0.261 nan 8.190 nan 0.000 0.456 205 T N -3.176 111.392 114.554 0.023 0.000 3.170 205 T HA 0.632 4.981 4.350 -0.001 0.000 0.288 205 T C 1.003 175.710 174.700 0.013 0.000 0.992 205 T CA 0.552 62.666 62.100 0.022 0.000 0.909 205 T CB 0.509 69.394 68.868 0.028 0.000 1.133 205 T HN 1.807 nan 8.240 nan 0.000 0.530 206 A N 1.183 124.005 122.820 0.003 0.000 2.846 206 A HA -0.133 4.187 4.320 -0.001 0.000 0.287 206 A C 1.092 178.674 177.584 -0.004 0.000 1.469 206 A CA 1.147 53.182 52.037 -0.003 0.000 0.757 206 A CB -2.658 16.346 19.000 0.007 0.000 1.033 206 A HN 1.358 nan 8.150 nan 0.000 0.516 207 T N -4.181 110.364 114.554 -0.014 0.000 3.288 207 T HA 0.437 4.787 4.350 -0.001 0.000 0.293 207 T C 1.143 175.821 174.700 -0.037 0.000 1.008 207 T CA 0.557 62.651 62.100 -0.010 0.000 0.929 207 T CB 0.196 69.067 68.868 0.006 0.000 1.152 207 T HN 0.584 nan 8.240 nan 0.000 0.517 208 V N 2.670 122.537 119.914 -0.078 0.000 2.379 208 V HA -0.046 4.074 4.120 -0.001 0.000 0.245 208 V C 1.726 177.729 176.094 -0.151 0.000 1.044 208 V CA 1.840 64.056 62.300 -0.141 0.000 1.036 208 V CB -0.449 31.257 31.823 -0.196 0.000 0.664 208 V HN 0.740 nan 8.190 nan 0.000 0.453 209 D N 0.376 120.696 120.400 -0.134 0.000 2.994 209 D HA 0.062 4.701 4.640 -0.001 0.000 0.240 209 D C 0.186 176.586 176.300 0.168 0.000 1.195 209 D CA 0.227 54.118 54.000 -0.181 0.000 0.957 209 D CB 0.433 41.128 40.800 -0.175 0.000 1.105 209 D HN 0.292 nan 8.370 nan 0.000 0.477 210 S N 1.156 116.930 115.700 0.124 0.000 2.498 210 S HA 0.173 4.643 4.470 -0.001 0.000 0.317 210 S C 0.975 175.691 174.600 0.193 0.000 1.090 210 S CA -0.832 57.470 58.200 0.170 0.000 1.089 210 S CB 0.932 64.178 63.200 0.077 0.000 0.997 210 S HN 0.194 nan 8.310 nan 0.000 0.470 211 L N 6.678 128.039 121.223 0.229 0.000 1.971 211 L HA 0.030 4.370 4.340 -0.001 0.000 0.215 211 L C -0.699 176.235 176.870 0.107 0.000 1.072 211 L CA 2.458 57.404 54.840 0.177 0.000 0.758 211 L CB -1.974 40.134 42.059 0.081 0.000 0.889 211 L HN 0.571 nan 8.230 nan 0.000 0.433 212 P HA -0.162 nan 4.420 nan 0.000 0.217 212 P C 2.274 179.608 177.300 0.057 0.000 1.150 212 P CA 1.380 64.512 63.100 0.053 0.000 0.832 212 P CB 0.007 31.729 31.700 0.036 0.000 0.787 213 L N -1.071 120.187 121.223 0.058 0.000 2.056 213 L HA -0.106 4.234 4.340 -0.001 0.000 0.207 213 L C 2.799 179.700 176.870 0.051 0.000 1.078 213 L CA 1.170 56.042 54.840 0.053 0.000 0.749 213 L CB -0.766 41.318 42.059 0.041 0.000 0.901 213 L HN -0.152 nan 8.230 nan 0.000 0.433 214 I N -0.575 120.026 120.570 0.051 0.000 2.179 214 I HA -0.274 3.896 4.170 -0.001 0.000 0.242 214 I C 2.528 178.679 176.117 0.056 0.000 1.088 214 I CA 1.545 62.872 61.300 0.046 0.000 1.357 214 I CB -0.588 37.445 38.000 0.055 0.000 1.051 214 I HN 0.231 nan 8.210 nan 0.000 0.409 215 T N 0.866 115.460 114.554 0.065 0.000 2.652 215 T HA -0.220 4.130 4.350 -0.001 0.000 0.267 215 T C 2.070 176.794 174.700 0.041 0.000 1.039 215 T CA 1.662 63.795 62.100 0.055 0.000 1.153 215 T CB -0.450 68.452 68.868 0.056 0.000 0.863 215 T HN 0.488 nan 8.240 nan 0.000 0.428 216 A N 0.905 123.753 122.820 0.048 0.000 1.902 216 A HA -0.088 4.232 4.320 -0.001 0.000 0.217 216 A C 2.582 180.195 177.584 0.048 0.000 1.181 216 A CA 2.123 54.189 52.037 0.048 0.000 0.623 216 A CB -1.053 17.983 19.000 0.060 0.000 0.818 216 A HN 0.450 nan 8.150 nan 0.000 0.443 217 S N -0.494 115.242 115.700 0.060 0.000 2.356 217 S HA -0.105 4.365 4.470 -0.001 0.000 0.223 217 S C 1.931 176.546 174.600 0.025 0.000 1.032 217 S CA 1.426 59.675 58.200 0.082 0.000 1.005 217 S CB -0.474 62.804 63.200 0.132 0.000 0.867 217 S HN 0.482 nan 8.310 nan 0.000 0.449 218 I N 0.793 121.347 120.570 -0.025 0.000 2.163 218 I HA -0.124 4.046 4.170 -0.001 0.000 0.240 218 I C 2.122 178.146 176.117 -0.154 0.000 1.081 218 I CA 0.812 62.000 61.300 -0.187 0.000 1.353 218 I CB -0.337 37.584 38.000 -0.131 0.000 1.054 218 I HN 0.299 nan 8.210 nan 0.000 0.407 219 L N 0.825 122.017 121.223 -0.052 0.000 2.141 219 L HA -0.161 4.179 4.340 -0.001 0.000 0.209 219 L C 2.869 179.736 176.870 -0.005 0.000 1.094 219 L CA 1.986 56.815 54.840 -0.019 0.000 0.763 219 L CB -1.118 40.947 42.059 0.010 0.000 0.908 219 L HN 0.348 nan 8.230 nan 0.000 0.437 220 S N -1.149 114.552 115.700 0.002 0.000 2.368 220 S HA -0.221 4.249 4.470 -0.001 0.000 0.225 220 S C 2.001 176.610 174.600 0.015 0.000 1.030 220 S CA 0.940 59.150 58.200 0.017 0.000 0.999 220 S CB -0.401 62.816 63.200 0.028 0.000 0.844 220 S HN 0.388 nan 8.310 nan 0.000 0.459 221 K N 1.040 121.439 120.400 -0.003 0.000 2.057 221 K HA 0.002 4.322 4.320 -0.001 0.000 0.207 221 K C 2.217 178.836 176.600 0.032 0.000 1.049 221 K CA 1.230 57.523 56.287 0.010 0.000 0.931 221 K CB -0.081 32.414 32.500 -0.010 0.000 0.714 221 K HN 0.271 nan 8.250 nan 0.000 0.440 222 K N 0.443 120.848 120.400 0.007 0.000 2.228 222 K HA -0.030 4.289 4.320 -0.001 0.000 0.202 222 K C 1.979 178.619 176.600 0.067 0.000 1.051 222 K CA 0.544 56.858 56.287 0.044 0.000 0.960 222 K CB -0.135 32.378 32.500 0.023 0.000 0.743 222 K HN 0.043 nan 8.250 nan 0.000 0.458 223 L N 1.115 122.368 121.223 0.050 0.000 2.056 223 L HA -0.116 4.224 4.340 -0.001 0.000 0.207 223 L C 2.332 179.243 176.870 0.069 0.000 1.078 223 L CA 1.319 56.193 54.840 0.055 0.000 0.749 223 L CB -1.051 41.031 42.059 0.039 0.000 0.901 223 L HN 0.015 nan 8.230 nan 0.000 0.433 224 V N -3.637 116.317 119.914 0.066 0.000 2.970 224 V HA -0.100 4.019 4.120 -0.001 0.000 0.260 224 V C 1.866 178.032 176.094 0.120 0.000 1.100 224 V CA 1.013 63.352 62.300 0.065 0.000 1.122 224 V CB -0.720 31.128 31.823 0.041 0.000 0.721 224 V HN 0.477 nan 8.190 nan 0.000 0.483 225 E N 1.590 121.898 120.200 0.180 0.000 2.427 225 E HA 0.210 4.560 4.350 -0.001 0.000 0.196 225 E C 1.498 178.372 176.600 0.456 0.000 1.028 225 E CA 0.440 57.038 56.400 0.329 0.000 0.864 225 E CB -0.277 29.576 29.700 0.254 0.000 0.813 225 E HN 0.860 nan 8.360 nan 0.000 0.514 226 G N 2.027 110.996 108.800 0.282 0.000 2.351 226 G HA2 -0.277 3.682 3.960 -0.001 0.000 0.297 226 G HA3 -0.277 3.682 3.960 -0.001 0.000 0.297 226 G C -0.107 174.941 174.900 0.248 0.000 1.054 226 G CA -0.011 45.253 45.100 0.273 0.000 1.123 226 G HN 0.101 nan 8.290 nan 0.000 0.512 227 L N 0.027 121.347 121.223 0.162 0.000 2.399 227 L HA 0.510 4.850 4.340 -0.001 0.000 0.266 227 L C 1.868 178.790 176.870 0.086 0.000 1.114 227 L CA -0.173 54.733 54.840 0.109 0.000 0.804 227 L CB 1.479 43.591 42.059 0.087 0.000 1.146 227 L HN 0.397 nan 8.230 nan 0.000 0.451 228 S N 0.210 115.951 115.700 0.068 0.000 2.478 228 S HA 0.336 4.805 4.470 -0.001 0.000 0.222 228 S C 0.509 175.126 174.600 0.029 0.000 1.008 228 S CA 0.209 58.437 58.200 0.047 0.000 0.928 228 S CB 0.242 63.468 63.200 0.045 0.000 0.781 228 S HN 0.710 nan 8.310 nan 0.000 0.518 229 A N 0.443 123.287 122.820 0.039 0.000 2.566 229 A HA 0.723 5.043 4.320 -0.001 0.000 0.297 229 A C -1.675 175.942 177.584 0.055 0.000 1.059 229 A CA -0.704 51.354 52.037 0.036 0.000 0.691 229 A CB 1.416 20.431 19.000 0.025 0.000 1.282 229 A HN 0.539 nan 8.150 nan 0.000 0.401 230 L N 2.063 123.323 121.223 0.063 0.000 2.408 230 L HA 0.831 5.170 4.340 -0.001 0.000 0.268 230 L C -1.475 175.450 176.870 0.091 0.000 0.986 230 L CA -0.455 54.432 54.840 0.078 0.000 0.820 230 L CB 2.187 44.292 42.059 0.076 0.000 1.303 230 L HN 0.523 nan 8.230 nan 0.000 0.411 231 V N 5.261 125.236 119.914 0.101 0.000 2.448 231 V HA 0.556 4.676 4.120 -0.001 0.000 0.295 231 V C -0.644 175.522 176.094 0.120 0.000 1.025 231 V CA -0.683 61.683 62.300 0.111 0.000 0.859 231 V CB 1.875 33.764 31.823 0.110 0.000 0.988 231 V HN 0.597 nan 8.190 nan 0.000 0.431 232 V N 4.460 124.448 119.914 0.122 0.000 2.384 232 V HA 0.503 4.623 4.120 -0.001 0.000 0.287 232 V C -0.662 175.507 176.094 0.125 0.000 1.020 232 V CA -0.421 61.962 62.300 0.138 0.000 0.850 232 V CB 1.874 33.778 31.823 0.134 0.000 0.987 232 V HN 0.990 nan 8.190 nan 0.000 0.436 233 D N 6.021 126.492 120.400 0.118 0.000 2.380 233 D HA 0.314 4.953 4.640 -0.001 0.000 0.230 233 D C -0.573 175.793 176.300 0.111 0.000 1.154 233 D CA 0.061 54.123 54.000 0.103 0.000 0.859 233 D CB 1.306 42.150 40.800 0.073 0.000 1.045 233 D HN 0.328 nan 8.370 nan 0.000 0.495 234 V N 5.479 125.472 119.914 0.131 0.000 2.370 234 V HA 0.325 4.445 4.120 -0.001 0.000 0.283 234 V C 0.316 176.511 176.094 0.170 0.000 1.023 234 V CA -0.799 61.591 62.300 0.149 0.000 0.857 234 V CB 1.149 33.073 31.823 0.168 0.000 0.985 234 V HN 0.503 nan 8.190 nan 0.000 0.443 235 K N 4.916 125.397 120.400 0.136 0.000 2.207 235 K HA 0.738 5.058 4.320 -0.001 0.000 0.255 235 K C -0.836 175.868 176.600 0.174 0.000 0.941 235 K CA -0.537 55.807 56.287 0.095 0.000 0.825 235 K CB 2.083 34.573 32.500 -0.017 0.000 1.119 235 K HN 0.504 nan 8.250 nan 0.000 0.430 236 F N -0.628 119.329 119.950 0.010 0.000 2.450 236 F HA 0.823 5.350 4.527 -0.001 0.000 0.328 236 F C 0.421 176.207 175.800 -0.022 0.000 1.068 236 F CA -0.385 57.617 58.000 0.003 0.000 1.007 236 F CB 1.435 40.417 39.000 -0.030 0.000 1.251 236 F HN 0.913 nan 8.300 nan 0.000 0.492 237 G N -0.008 108.835 108.800 0.072 0.000 2.541 237 G HA2 0.262 4.222 3.960 -0.001 0.000 0.686 237 G HA3 0.262 4.222 3.960 -0.001 0.000 0.686 237 G C 0.298 175.207 174.900 0.015 0.000 1.286 237 G CA -0.254 44.831 45.100 -0.024 0.000 0.894 237 G HN 1.485 nan 8.290 nan 0.000 0.575 238 A N -0.563 122.259 122.820 0.004 0.000 1.986 238 A HA 0.282 4.602 4.320 -0.001 0.000 0.220 238 A C 2.329 179.936 177.584 0.038 0.000 1.171 238 A CA 2.722 54.772 52.037 0.021 0.000 0.640 238 A CB -0.599 18.404 19.000 0.006 0.000 0.811 238 A HN 2.394 nan 8.150 nan 0.000 0.451 239 G N -0.965 107.847 108.800 0.021 0.000 3.709 239 G HA2 0.530 4.490 3.960 -0.001 0.000 0.272 239 G HA3 0.530 4.490 3.960 -0.001 0.000 0.272 239 G C -0.005 174.914 174.900 0.032 0.000 1.259 239 G CA 0.628 45.749 45.100 0.035 0.000 1.512 239 G HN 0.812 nan 8.290 nan 0.000 0.625 240 A N -0.486 122.368 122.820 0.057 0.000 2.485 240 A HA 0.675 4.995 4.320 -0.001 0.000 0.292 240 A C 1.119 178.706 177.584 0.005 0.000 1.147 240 A CA 0.059 52.121 52.037 0.041 0.000 0.750 240 A CB 1.168 20.223 19.000 0.090 0.000 1.331 240 A HN 0.841 nan 8.150 nan 0.000 0.419 241 V N -2.532 117.315 119.914 -0.111 0.000 3.129 241 V HA 0.364 4.484 4.120 -0.001 0.000 0.259 241 V C 0.121 175.973 176.094 -0.403 0.000 1.116 241 V CA 1.057 63.165 62.300 -0.320 0.000 1.127 241 V CB -0.851 30.677 31.823 -0.491 0.000 0.742 241 V HN 0.526 nan 8.190 nan 0.000 0.474 242 F N 0.536 120.516 119.950 0.051 0.000 2.810 242 F HA 0.499 5.026 4.527 -0.000 0.000 0.373 242 F C -1.967 173.883 175.800 0.083 0.000 1.174 242 F CA -1.791 56.243 58.000 0.057 0.000 1.141 242 F CB 1.860 40.888 39.000 0.047 0.000 1.420 242 F HN -0.006 nan 8.300 nan 0.000 0.518 243 P HA -0.149 nan 4.420 nan 0.000 0.223 243 P C 0.107 177.522 177.300 0.191 0.000 1.144 243 P CA 0.900 64.108 63.100 0.180 0.000 0.783 243 P CB 0.086 31.860 31.700 0.123 0.000 0.771 244 N N -0.117 118.683 118.700 0.167 0.000 2.520 244 N HA -0.023 4.716 4.740 -0.001 0.000 0.273 244 N C 1.080 176.620 175.510 0.051 0.000 1.155 244 N CA 0.212 53.313 53.050 0.085 0.000 0.967 244 N CB 0.410 38.908 38.487 0.017 0.000 1.092 244 N HN -0.066 nan 8.380 nan 0.000 0.457 245 Q N 1.600 121.360 119.800 -0.066 0.000 2.167 245 Q HA -0.184 4.155 4.340 -0.001 0.000 0.202 245 Q C 0.799 176.606 176.000 -0.321 0.000 0.970 245 Q CA 1.394 56.950 55.803 -0.411 0.000 0.855 245 Q CB 0.145 28.515 28.738 -0.614 0.000 0.911 245 Q HN 0.716 nan 8.270 nan 0.000 0.438 246 E N 0.277 120.361 120.200 -0.193 0.000 2.112 246 E HA -0.120 4.230 4.350 -0.001 0.000 0.190 246 E C 1.593 178.099 176.600 -0.157 0.000 0.979 246 E CA 1.104 57.406 56.400 -0.163 0.000 0.814 246 E CB 0.101 29.724 29.700 -0.130 0.000 0.762 246 E HN 0.357 nan 8.360 nan 0.000 0.460 247 Q N -0.811 118.882 119.800 -0.179 0.000 2.500 247 Q HA -0.009 4.331 4.340 -0.001 0.000 0.213 247 Q C 1.483 177.396 176.000 -0.146 0.000 0.974 247 Q CA 0.854 56.471 55.803 -0.311 0.000 0.918 247 Q CB 0.157 28.563 28.738 -0.554 0.000 0.980 247 Q HN 0.334 nan 8.270 nan 0.000 0.505 248 A N 0.469 123.279 122.820 -0.017 0.000 1.963 248 A HA -0.019 4.301 4.320 -0.001 0.000 0.207 248 A C 1.904 179.508 177.584 0.033 0.000 1.243 248 A CA 0.361 52.457 52.037 0.099 0.000 0.728 248 A CB -0.154 18.964 19.000 0.196 0.000 0.895 248 A HN 0.166 nan 8.150 nan 0.000 0.467 249 R N 0.243 120.703 120.500 -0.067 0.000 2.081 249 R HA -0.162 4.177 4.340 -0.001 0.000 0.235 249 R C 2.055 178.341 176.300 -0.023 0.000 1.131 249 R CA 1.863 57.930 56.100 -0.056 0.000 0.960 249 R CB -0.277 29.955 30.300 -0.114 0.000 0.856 249 R HN 0.646 nan 8.270 nan 0.000 0.436 250 E N 0.195 120.368 120.200 -0.045 0.000 2.110 250 E HA -0.213 4.136 4.350 -0.001 0.000 0.193 250 E C 1.958 178.558 176.600 -0.000 0.000 0.988 250 E CA 1.161 57.540 56.400 -0.036 0.000 0.804 250 E CB -0.037 29.619 29.700 -0.072 0.000 0.745 250 E HN 0.303 nan 8.360 nan 0.000 0.458 251 L N 0.813 122.051 121.223 0.025 0.000 2.046 251 L HA -0.086 4.254 4.340 -0.001 0.000 0.208 251 L C 2.243 179.163 176.870 0.083 0.000 1.077 251 L CA 2.154 57.044 54.840 0.083 0.000 0.747 251 L CB -0.696 41.467 42.059 0.174 0.000 0.896 251 L HN 0.120 nan 8.230 nan 0.000 0.432 252 A N -0.465 122.404 122.820 0.081 0.000 1.902 252 A HA -0.230 4.089 4.320 -0.001 0.000 0.217 252 A C 2.316 179.938 177.584 0.064 0.000 1.181 252 A CA 2.022 54.109 52.037 0.082 0.000 0.623 252 A CB -0.515 18.538 19.000 0.088 0.000 0.818 252 A HN 0.531 nan 8.150 nan 0.000 0.443 253 K N -0.902 119.525 120.400 0.045 0.000 2.097 253 K HA -0.068 4.252 4.320 -0.001 0.000 0.205 253 K C 2.040 178.661 176.600 0.035 0.000 1.050 253 K CA 1.601 57.909 56.287 0.036 0.000 0.938 253 K CB -0.353 32.158 32.500 0.020 0.000 0.718 253 K HN 0.481 nan 8.250 nan 0.000 0.442 254 T N 2.100 116.675 114.554 0.035 0.000 2.777 254 T HA -0.077 4.273 4.350 -0.001 0.000 0.266 254 T C 1.913 176.639 174.700 0.043 0.000 1.040 254 T CA 0.953 63.074 62.100 0.036 0.000 1.141 254 T CB -0.172 68.718 68.868 0.036 0.000 0.868 254 T HN 0.087 nan 8.240 nan 0.000 0.444 255 L N 0.654 121.909 121.223 0.054 0.000 2.046 255 L HA -0.085 4.255 4.340 -0.001 0.000 0.208 255 L C 2.638 179.539 176.870 0.052 0.000 1.077 255 L CA 0.913 55.787 54.840 0.056 0.000 0.747 255 L CB -0.562 41.538 42.059 0.069 0.000 0.896 255 L HN 0.146 nan 8.230 nan 0.000 0.432 256 V N -0.328 119.619 119.914 0.055 0.000 2.379 256 V HA -0.130 3.990 4.120 -0.001 0.000 0.245 256 V C 2.530 178.650 176.094 0.043 0.000 1.044 256 V CA 1.852 64.184 62.300 0.053 0.000 1.036 256 V CB -1.001 30.858 31.823 0.060 0.000 0.664 256 V HN 0.542 nan 8.190 nan 0.000 0.453 257 G N -0.198 108.625 108.800 0.038 0.000 2.404 257 G HA2 -0.172 3.788 3.960 -0.001 0.000 0.215 257 G HA3 -0.172 3.788 3.960 -0.001 0.000 0.215 257 G C 1.673 176.591 174.900 0.029 0.000 1.174 257 G CA 1.187 46.306 45.100 0.031 0.000 0.780 257 G HN 0.350 nan 8.290 nan 0.000 0.537 258 V N 1.687 121.620 119.914 0.030 0.000 2.358 258 V HA -0.051 4.069 4.120 -0.001 0.000 0.246 258 V C 3.170 179.282 176.094 0.030 0.000 1.047 258 V CA 1.931 64.249 62.300 0.029 0.000 1.035 258 V CB -1.129 30.712 31.823 0.030 0.000 0.658 258 V HN 0.432 nan 8.190 nan 0.000 0.452 259 G N -0.006 108.814 108.800 0.034 0.000 2.491 259 G HA2 -0.308 3.652 3.960 -0.001 0.000 0.218 259 G HA3 -0.308 3.652 3.960 -0.001 0.000 0.218 259 G C 1.788 176.707 174.900 0.032 0.000 1.180 259 G CA 1.363 46.484 45.100 0.035 0.000 0.774 259 G HN 0.625 nan 8.290 nan 0.000 0.562 260 A N 1.042 123.881 122.820 0.031 0.000 1.902 260 A HA -0.052 4.268 4.320 -0.001 0.000 0.217 260 A C 2.749 180.347 177.584 0.023 0.000 1.181 260 A CA 2.792 54.846 52.037 0.027 0.000 0.623 260 A CB -0.840 18.177 19.000 0.027 0.000 0.818 260 A HN 0.925 nan 8.150 nan 0.000 0.443 261 S N -0.478 115.236 115.700 0.023 0.000 2.442 261 S HA 0.016 4.486 4.470 -0.001 0.000 0.236 261 S C 1.378 175.990 174.600 0.021 0.000 1.007 261 S CA 1.283 59.495 58.200 0.020 0.000 0.965 261 S CB -0.450 62.762 63.200 0.020 0.000 0.773 261 S HN 0.428 nan 8.310 nan 0.000 0.504 262 L N 0.810 122.047 121.223 0.023 0.000 2.653 262 L HA 0.396 4.736 4.340 -0.001 0.000 0.231 262 L C 1.599 178.484 176.870 0.025 0.000 1.153 262 L CA 0.250 55.105 54.840 0.024 0.000 0.933 262 L CB -0.153 41.922 42.059 0.026 0.000 1.175 262 L HN 0.579 nan 8.230 nan 0.000 0.473 263 G N 0.792 109.606 108.800 0.024 0.000 2.141 263 G HA2 -0.260 3.700 3.960 -0.001 0.000 0.231 263 G HA3 -0.260 3.700 3.960 -0.001 0.000 0.231 263 G C -0.414 174.503 174.900 0.028 0.000 0.984 263 G CA -0.080 45.034 45.100 0.024 0.000 0.660 263 G HN 0.161 nan 8.290 nan 0.000 0.525 264 L N 0.450 121.692 121.223 0.031 0.000 2.322 264 L HA 0.786 5.125 4.340 -0.001 0.000 0.281 264 L C 0.624 177.513 176.870 0.031 0.000 1.014 264 L CA -1.488 53.373 54.840 0.035 0.000 0.815 264 L CB 1.351 43.435 42.059 0.042 0.000 1.247 264 L HN 0.206 nan 8.230 nan 0.000 0.421 265 R N 4.178 124.694 120.500 0.027 0.000 2.272 265 R HA 0.521 4.861 4.340 -0.001 0.000 0.334 265 R C -1.563 174.758 176.300 0.035 0.000 1.117 265 R CA -0.194 55.917 56.100 0.019 0.000 0.966 265 R CB -0.009 30.290 30.300 -0.003 0.000 1.049 265 R HN 0.572 nan 8.270 nan 0.000 0.477 266 V N 3.198 123.140 119.914 0.046 0.000 2.555 266 V HA 0.752 4.871 4.120 -0.001 0.000 0.302 266 V C -0.165 175.977 176.094 0.080 0.000 1.038 266 V CA -0.941 61.397 62.300 0.063 0.000 0.887 266 V CB 1.651 33.511 31.823 0.061 0.000 0.991 266 V HN 0.842 nan 8.190 nan 0.000 0.434 267 A N 2.978 125.859 122.820 0.100 0.000 2.401 267 A HA 0.993 5.312 4.320 -0.001 0.000 0.310 267 A C -0.271 177.382 177.584 0.115 0.000 1.075 267 A CA -0.384 51.725 52.037 0.121 0.000 0.746 267 A CB 1.769 20.869 19.000 0.167 0.000 1.277 267 A HN 1.426 nan 8.150 nan 0.000 0.425 268 A N 0.508 123.395 122.820 0.112 0.000 2.340 268 A HA 0.817 5.137 4.320 -0.001 0.000 0.331 268 A C 0.030 177.686 177.584 0.120 0.000 1.140 268 A CA -0.004 52.101 52.037 0.114 0.000 0.801 268 A CB 1.108 20.173 19.000 0.108 0.000 1.234 268 A HN 2.237 nan 8.150 nan 0.000 0.469 269 A N 2.141 125.036 122.820 0.125 0.000 2.287 269 A HA 0.631 4.951 4.320 -0.001 0.000 0.317 269 A C -0.655 177.032 177.584 0.171 0.000 1.220 269 A CA -0.369 51.749 52.037 0.134 0.000 0.835 269 A CB 0.215 19.283 19.000 0.112 0.000 1.180 269 A HN 0.786 nan 8.150 nan 0.000 0.500 270 L N 3.444 124.803 121.223 0.227 0.000 2.268 270 L HA 0.366 4.706 4.340 -0.001 0.000 0.289 270 L C 0.504 177.613 176.870 0.398 0.000 1.064 270 L CA -0.187 54.857 54.840 0.341 0.000 0.824 270 L CB 1.080 43.363 42.059 0.374 0.000 1.202 270 L HN 0.815 nan 8.230 nan 0.000 0.433 271 T N 0.689 115.373 114.554 0.217 0.000 2.772 271 T HA 0.656 5.005 4.350 -0.001 0.000 0.288 271 T C 0.076 174.553 174.700 -0.372 0.000 0.994 271 T CA -0.801 61.347 62.100 0.081 0.000 0.951 271 T CB 1.630 70.539 68.868 0.069 0.000 0.933 271 T HN 0.539 nan 8.240 nan 0.000 0.447 272 A N 5.166 127.512 122.820 -0.790 0.000 2.491 272 A HA 0.581 4.901 4.320 -0.001 0.000 0.261 272 A C 0.211 177.486 177.584 -0.515 0.000 1.101 272 A CA -0.382 50.872 52.037 -1.305 0.000 0.772 272 A CB -0.356 17.839 19.000 -1.341 0.000 1.043 272 A HN 1.002 nan 8.150 nan 0.000 0.501 273 M N 3.614 122.967 119.600 -0.412 0.000 1.956 273 M HA 0.180 4.660 4.480 -0.001 0.000 0.256 273 M C -1.523 174.706 176.300 -0.118 0.000 0.869 273 M CA -0.268 54.922 55.300 -0.183 0.000 0.886 273 M CB 0.987 33.520 32.600 -0.111 0.000 1.739 273 M HN 0.629 nan 8.290 nan 0.000 0.381 274 D N 5.626 125.970 120.400 -0.095 0.000 2.479 274 D HA 0.318 4.957 4.640 -0.001 0.000 0.218 274 D C -0.621 175.670 176.300 -0.015 0.000 1.131 274 D CA 0.286 54.261 54.000 -0.043 0.000 0.916 274 D CB 0.802 41.580 40.800 -0.036 0.000 1.022 274 D HN 0.452 nan 8.370 nan 0.000 0.515 275 K N 2.575 122.972 120.400 -0.005 0.000 3.050 275 K HA 0.003 4.323 4.320 -0.001 0.000 0.385 275 K C -3.231 173.376 176.600 0.011 0.000 1.321 275 K CA -0.772 55.523 56.287 0.013 0.000 1.048 275 K CB 0.622 33.132 32.500 0.017 0.000 1.279 275 K HN -0.011 nan 8.250 nan 0.000 0.441 276 P HA -0.020 nan 4.420 nan 0.000 0.261 276 P C -0.323 176.980 177.300 0.006 0.000 1.203 276 P CA -0.391 62.718 63.100 0.015 0.000 0.767 276 P CB 0.291 32.006 31.700 0.026 0.000 0.785 277 L N 4.328 125.548 121.223 -0.006 0.000 2.601 277 L HA 0.246 4.586 4.340 -0.001 0.000 0.277 277 L C 1.195 178.057 176.870 -0.014 0.000 1.219 277 L CA 1.948 56.781 54.840 -0.011 0.000 0.915 277 L CB -1.028 41.020 42.059 -0.018 0.000 1.160 277 L HN 0.801 nan 8.230 nan 0.000 0.494 278 G N 4.970 113.764 108.800 -0.011 0.000 2.539 278 G HA2 -0.304 3.655 3.960 -0.001 0.000 0.256 278 G HA3 -0.304 3.655 3.960 -0.001 0.000 0.256 278 G C 0.602 175.500 174.900 -0.004 0.000 1.233 278 G CA 0.346 45.438 45.100 -0.014 0.000 0.936 278 G HN 0.751 nan 8.290 nan 0.000 0.571 279 R N -1.319 119.177 120.500 -0.008 0.000 2.394 279 R HA 0.308 4.647 4.340 -0.001 0.000 0.220 279 R C 0.325 176.623 176.300 -0.003 0.000 0.887 279 R CA 0.556 56.657 56.100 0.003 0.000 1.034 279 R CB 0.579 30.880 30.300 0.003 0.000 1.179 279 R HN 0.400 nan 8.270 nan 0.000 0.561 280 C N 2.089 121.377 119.300 -0.020 0.000 2.329 280 C HA 0.606 5.066 4.460 -0.001 0.000 0.329 280 C C 0.182 175.146 174.990 -0.043 0.000 1.275 280 C CA -0.615 58.383 59.018 -0.032 0.000 1.726 280 C CB 1.519 29.229 27.740 -0.050 0.000 2.291 280 C HN 0.037 nan 8.230 nan 0.000 0.514 281 V N 3.793 123.682 119.914 -0.042 0.000 2.540 281 V HA 0.972 5.092 4.120 -0.001 0.000 0.302 281 V C 0.581 176.620 176.094 -0.091 0.000 1.035 281 V CA 0.730 62.993 62.300 -0.062 0.000 0.873 281 V CB 1.120 32.926 31.823 -0.028 0.000 0.992 281 V HN 1.307 nan 8.190 nan 0.000 0.428 282 G N 3.356 112.044 108.800 -0.186 0.000 2.295 282 G HA2 0.034 3.994 3.960 -0.001 0.000 0.155 282 G HA3 0.034 3.994 3.960 -0.001 0.000 0.155 282 G C -0.243 174.344 174.900 -0.520 0.000 1.307 282 G CA 0.363 45.302 45.100 -0.269 0.000 1.140 282 G HN 0.679 nan 8.290 nan 0.000 0.470 283 H N -0.903 118.144 119.070 -0.039 0.000 2.286 283 H HA 0.585 5.141 4.556 -0.000 0.000 0.163 283 H C 2.634 177.930 175.328 -0.054 0.000 1.015 283 H CA 1.239 57.262 56.048 -0.041 0.000 1.107 283 H CB -0.315 29.427 29.762 -0.033 0.000 1.050 283 H HN 0.706 nan 8.280 nan 0.000 0.360 284 A N 1.422 124.288 122.820 0.077 0.000 1.917 284 A HA -0.149 4.171 4.320 -0.001 0.000 0.219 284 A C 2.087 179.645 177.584 -0.043 0.000 1.182 284 A CA 1.729 53.766 52.037 0.001 0.000 0.633 284 A CB -1.055 17.933 19.000 -0.020 0.000 0.819 284 A HN 0.312 nan 8.150 nan 0.000 0.448 285 L N -0.893 120.283 121.223 -0.077 0.000 2.083 285 L HA -0.209 4.131 4.340 -0.001 0.000 0.209 285 L C 2.595 179.417 176.870 -0.081 0.000 1.083 285 L CA 1.675 56.451 54.840 -0.107 0.000 0.752 285 L CB -0.583 41.392 42.059 -0.139 0.000 0.899 285 L HN 0.483 nan 8.230 nan 0.000 0.433 286 E N -0.452 119.700 120.200 -0.080 0.000 2.152 286 E HA -0.141 4.209 4.350 -0.001 0.000 0.192 286 E C 2.301 178.855 176.600 -0.076 0.000 0.983 286 E CA 0.906 57.257 56.400 -0.082 0.000 0.818 286 E CB 0.052 29.692 29.700 -0.101 0.000 0.758 286 E HN 0.282 nan 8.360 nan 0.000 0.467 287 V N 1.622 121.504 119.914 -0.053 0.000 2.295 287 V HA -0.277 3.842 4.120 -0.001 0.000 0.246 287 V C 2.004 178.066 176.094 -0.053 0.000 1.049 287 V CA 1.956 64.232 62.300 -0.041 0.000 1.024 287 V CB -0.476 31.352 31.823 0.008 0.000 0.648 287 V HN 0.225 nan 8.190 nan 0.000 0.447 288 E N -0.142 120.031 120.200 -0.046 0.000 2.058 288 E HA -0.285 4.064 4.350 -0.001 0.000 0.194 288 E C 2.292 178.856 176.600 -0.060 0.000 0.997 288 E CA 1.625 57.998 56.400 -0.045 0.000 0.801 288 E CB -0.152 29.519 29.700 -0.048 0.000 0.746 288 E HN 0.693 nan 8.360 nan 0.000 0.450 289 E N 0.241 120.400 120.200 -0.068 0.000 2.106 289 E HA -0.171 4.179 4.350 -0.001 0.000 0.192 289 E C 1.976 178.519 176.600 -0.095 0.000 0.984 289 E CA 0.850 57.208 56.400 -0.070 0.000 0.806 289 E CB -0.031 29.631 29.700 -0.063 0.000 0.750 289 E HN 0.249 nan 8.360 nan 0.000 0.458 290 A N 0.892 123.637 122.820 -0.126 0.000 1.902 290 A HA -0.164 4.156 4.320 -0.001 0.000 0.217 290 A C 2.154 179.603 177.584 -0.225 0.000 1.181 290 A CA 1.131 53.054 52.037 -0.191 0.000 0.623 290 A CB -0.674 18.174 19.000 -0.252 0.000 0.818 290 A HN 0.314 nan 8.150 nan 0.000 0.443 291 L N -1.123 119.985 121.223 -0.192 0.000 2.131 291 L HA -0.181 4.159 4.340 -0.001 0.000 0.210 291 L C 2.440 179.255 176.870 -0.092 0.000 1.092 291 L CA 0.575 55.329 54.840 -0.144 0.000 0.759 291 L CB -0.459 41.566 42.059 -0.056 0.000 0.903 291 L HN 0.297 nan 8.230 nan 0.000 0.435 292 L N -0.722 120.454 121.223 -0.078 0.000 2.046 292 L HA -0.275 4.065 4.340 -0.001 0.000 0.208 292 L C 2.684 179.517 176.870 -0.062 0.000 1.077 292 L CA 1.615 56.420 54.840 -0.057 0.000 0.747 292 L CB -0.964 41.065 42.059 -0.049 0.000 0.896 292 L HN 0.392 nan 8.230 nan 0.000 0.432 293 C N -0.630 118.621 119.300 -0.081 0.000 2.425 293 C HA -0.177 4.283 4.460 -0.001 0.000 0.277 293 C C 2.792 177.733 174.990 -0.080 0.000 1.280 293 C CA 0.651 59.622 59.018 -0.078 0.000 1.744 293 C CB -0.583 27.102 27.740 -0.092 0.000 1.989 293 C HN 0.517 nan 8.230 nan 0.000 0.491 294 M N 0.250 119.787 119.600 -0.106 0.000 2.562 294 M HA -0.032 4.448 4.480 -0.001 0.000 0.257 294 M C 0.937 177.206 176.300 -0.052 0.000 1.099 294 M CA 1.020 56.265 55.300 -0.092 0.000 1.099 294 M CB -0.404 32.113 32.600 -0.138 0.000 1.427 294 M HN 0.302 nan 8.290 nan 0.000 0.489 295 D N 0.342 120.714 120.400 -0.046 0.000 2.363 295 D HA 0.066 4.705 4.640 -0.001 0.000 0.226 295 D C 1.464 177.749 176.300 -0.025 0.000 1.020 295 D CA 0.894 54.877 54.000 -0.028 0.000 0.892 295 D CB 0.025 40.810 40.800 -0.025 0.000 0.900 295 D HN 0.500 nan 8.370 nan 0.000 0.531 296 G N -0.444 108.338 108.800 -0.031 0.000 2.141 296 G HA2 -0.157 3.803 3.960 -0.001 0.000 0.242 296 G HA3 -0.157 3.803 3.960 -0.001 0.000 0.242 296 G C 0.571 175.456 174.900 -0.025 0.000 0.982 296 G CA 0.502 45.586 45.100 -0.026 0.000 0.662 296 G HN 0.647 nan 8.290 nan 0.000 0.527 297 A N -1.059 121.744 122.820 -0.029 0.000 3.907 297 A HA 1.119 5.439 4.320 -0.001 0.000 0.166 297 A C 1.678 179.244 177.584 -0.031 0.000 0.948 297 A CA 1.093 53.114 52.037 -0.026 0.000 1.077 297 A CB 0.170 19.156 19.000 -0.023 0.000 1.553 297 A HN 2.379 nan 8.150 nan 0.000 0.740 298 G N -1.247 107.535 108.800 -0.030 0.000 2.782 298 G HA2 0.041 4.001 3.960 -0.001 0.000 0.228 298 G HA3 0.041 4.001 3.960 -0.001 0.000 0.228 298 G C -2.690 172.195 174.900 -0.026 0.000 1.372 298 G CA -0.237 44.843 45.100 -0.032 0.000 0.862 298 G HN 0.922 nan 8.290 nan 0.000 0.547 299 P HA 0.331 nan 4.420 nan 0.000 0.275 299 P C -2.016 175.273 177.300 -0.019 0.000 1.228 299 P CA -1.319 61.769 63.100 -0.019 0.000 0.786 299 P CB 0.780 32.470 31.700 -0.017 0.000 0.927 300 P HA -0.174 nan 4.420 nan 0.000 0.217 300 P C 1.135 178.429 177.300 -0.010 0.000 1.150 300 P CA 1.486 64.579 63.100 -0.012 0.000 0.832 300 P CB -0.106 31.589 31.700 -0.008 0.000 0.787 301 D N -0.071 120.325 120.400 -0.007 0.000 2.117 301 D HA -0.174 4.466 4.640 -0.001 0.000 0.197 301 D C 1.927 178.220 176.300 -0.011 0.000 0.987 301 D CA 1.026 55.024 54.000 -0.004 0.000 0.829 301 D CB -1.262 39.539 40.800 0.002 0.000 0.961 301 D HN 0.085 nan 8.370 nan 0.000 0.460 302 L N 0.556 121.768 121.223 -0.018 0.000 2.017 302 L HA -0.079 4.261 4.340 -0.001 0.000 0.208 302 L C 2.626 179.479 176.870 -0.029 0.000 1.073 302 L CA 1.772 56.596 54.840 -0.027 0.000 0.745 302 L CB -0.660 41.377 42.059 -0.037 0.000 0.894 302 L HN -0.029 nan 8.230 nan 0.000 0.432 303 R N -0.585 119.898 120.500 -0.028 0.000 2.081 303 R HA -0.207 4.133 4.340 -0.001 0.000 0.235 303 R C 2.241 178.528 176.300 -0.021 0.000 1.131 303 R CA 1.825 57.908 56.100 -0.028 0.000 0.960 303 R CB -0.675 29.609 30.300 -0.026 0.000 0.856 303 R HN 0.635 nan 8.270 nan 0.000 0.436 304 D N 0.142 120.532 120.400 -0.016 0.000 2.123 304 D HA -0.191 4.449 4.640 -0.001 0.000 0.196 304 D C 1.856 178.151 176.300 -0.009 0.000 0.992 304 D CA 1.041 55.034 54.000 -0.012 0.000 0.833 304 D CB 0.168 40.963 40.800 -0.008 0.000 0.954 304 D HN 0.224 nan 8.370 nan 0.000 0.455 305 L N 0.549 121.767 121.223 -0.008 0.000 2.072 305 L HA -0.100 4.240 4.340 -0.001 0.000 0.205 305 L C 2.578 179.445 176.870 -0.004 0.000 1.079 305 L CA 0.953 55.791 54.840 -0.002 0.000 0.752 305 L CB -0.560 41.498 42.059 -0.002 0.000 0.906 305 L HN -0.097 nan 8.230 nan 0.000 0.436 306 V N -0.348 119.557 119.914 -0.015 0.000 2.255 306 V HA -0.356 3.764 4.120 -0.001 0.000 0.247 306 V C 2.687 178.775 176.094 -0.010 0.000 1.051 306 V CA 2.361 64.650 62.300 -0.019 0.000 1.018 306 V CB -1.364 30.438 31.823 -0.035 0.000 0.641 306 V HN 0.740 nan 8.190 nan 0.000 0.445 307 T N -2.992 111.556 114.554 -0.011 0.000 2.777 307 T HA -0.194 4.156 4.350 -0.001 0.000 0.266 307 T C 1.806 176.507 174.700 0.002 0.000 1.040 307 T CA 1.948 64.045 62.100 -0.006 0.000 1.141 307 T CB -0.756 68.106 68.868 -0.010 0.000 0.868 307 T HN 0.458 nan 8.240 nan 0.000 0.444 308 T N 2.534 117.088 114.554 -0.001 0.000 2.674 308 T HA 0.085 4.435 4.350 -0.001 0.000 0.265 308 T C 1.923 176.634 174.700 0.019 0.000 1.039 308 T CA 1.433 63.534 62.100 0.001 0.000 1.150 308 T CB -0.528 68.338 68.868 -0.003 0.000 0.864 308 T HN 0.280 nan 8.240 nan 0.000 0.427 309 L N 0.499 121.737 121.223 0.025 0.000 2.109 309 L HA 0.075 4.415 4.340 -0.001 0.000 0.207 309 L C 3.002 179.902 176.870 0.050 0.000 1.086 309 L CA 1.090 55.956 54.840 0.042 0.000 0.760 309 L CB -0.881 41.200 42.059 0.038 0.000 0.910 309 L HN 0.364 nan 8.230 nan 0.000 0.437 310 G N -0.178 108.643 108.800 0.034 0.000 2.404 310 G HA2 -0.181 3.779 3.960 -0.001 0.000 0.215 310 G HA3 -0.181 3.779 3.960 -0.001 0.000 0.215 310 G C 1.589 176.524 174.900 0.059 0.000 1.174 310 G CA 0.714 45.834 45.100 0.035 0.000 0.780 310 G HN 0.463 nan 8.290 nan 0.000 0.537 311 G N 1.025 109.858 108.800 0.056 0.000 2.408 311 G HA2 0.085 4.045 3.960 -0.001 0.000 0.217 311 G HA3 0.085 4.045 3.960 -0.001 0.000 0.217 311 G C 2.054 177.037 174.900 0.138 0.000 1.150 311 G CA 1.456 46.604 45.100 0.080 0.000 0.776 311 G HN 0.628 nan 8.290 nan 0.000 0.542 312 A N 0.503 123.395 122.820 0.119 0.000 1.908 312 A HA 0.009 4.329 4.320 -0.001 0.000 0.218 312 A C 2.385 180.135 177.584 0.277 0.000 1.181 312 A CA 1.405 53.555 52.037 0.189 0.000 0.627 312 A CB -0.462 18.614 19.000 0.127 0.000 0.818 312 A HN 0.369 nan 8.150 nan 0.000 0.445 313 L N -0.840 120.490 121.223 0.178 0.000 2.027 313 L HA -0.116 4.223 4.340 -0.001 0.000 0.206 313 L C 2.568 179.528 176.870 0.150 0.000 1.074 313 L CA 1.237 56.164 54.840 0.146 0.000 0.745 313 L CB -0.323 41.792 42.059 0.095 0.000 0.898 313 L HN 0.421 nan 8.230 nan 0.000 0.433 314 L N -1.574 119.741 121.223 0.154 0.000 2.079 314 L HA -0.280 4.059 4.340 -0.001 0.000 0.210 314 L C 2.341 179.327 176.870 0.194 0.000 1.081 314 L CA 1.659 56.600 54.840 0.169 0.000 0.752 314 L CB -0.619 41.523 42.059 0.139 0.000 0.896 314 L HN 0.468 nan 8.230 nan 0.000 0.433 315 W N 0.252 121.581 121.300 0.048 0.000 2.379 315 W HA -0.210 4.450 4.660 -0.001 0.000 0.307 315 W C 2.318 178.852 176.519 0.025 0.000 1.200 315 W CA 1.128 58.492 57.345 0.031 0.000 1.297 315 W CB -0.162 29.311 29.460 0.022 0.000 1.140 315 W HN -0.044 nan 8.180 nan 0.000 0.507 316 L N 1.189 122.387 121.223 -0.043 0.000 2.083 316 L HA -0.187 4.153 4.340 -0.001 0.000 0.209 316 L C 2.359 179.069 176.870 -0.268 0.000 1.083 316 L CA 2.469 57.139 54.840 -0.283 0.000 0.752 316 L CB -1.204 40.883 42.059 0.046 0.000 0.899 316 L HN 0.267 nan 8.230 nan 0.000 0.433 317 S N -1.478 114.154 115.700 -0.113 0.000 2.562 317 S HA 0.106 4.576 4.470 -0.001 0.000 0.221 317 S C 1.397 175.855 174.600 -0.235 0.000 0.975 317 S CA 0.450 58.596 58.200 -0.090 0.000 0.918 317 S CB 0.254 63.512 63.200 0.096 0.000 0.772 317 S HN 0.609 nan 8.310 nan 0.000 0.531 318 G N 1.100 109.734 108.800 -0.276 0.000 2.132 318 G HA2 -0.233 3.727 3.960 -0.001 0.000 0.234 318 G HA3 -0.233 3.727 3.960 -0.001 0.000 0.234 318 G C 0.436 175.162 174.900 -0.289 0.000 0.989 318 G CA 0.409 45.325 45.100 -0.307 0.000 0.676 318 G HN 0.613 nan 8.290 nan 0.000 0.522 319 H N -0.340 118.705 119.070 -0.042 0.000 2.563 319 H HA 0.529 5.084 4.556 -0.000 0.000 0.264 319 H C 1.464 176.804 175.328 0.021 0.000 0.957 319 H CA 1.261 57.304 56.048 -0.009 0.000 1.173 319 H CB 0.780 30.537 29.762 -0.009 0.000 1.420 319 H HN 0.817 nan 8.280 nan 0.000 0.551 320 A N -0.398 122.506 122.820 0.140 0.000 2.435 320 A HA 0.549 4.869 4.320 -0.001 0.000 0.304 320 A C 1.425 179.120 177.584 0.185 0.000 1.064 320 A CA -0.094 52.035 52.037 0.153 0.000 0.727 320 A CB 1.222 20.330 19.000 0.179 0.000 1.284 320 A HN 0.213 nan 8.150 nan 0.000 0.415 321 G N 0.343 109.243 108.800 0.166 0.000 2.408 321 G HA2 0.261 4.221 3.960 -0.001 0.000 0.217 321 G HA3 0.261 4.221 3.960 -0.001 0.000 0.217 321 G C 0.765 175.867 174.900 0.337 0.000 1.150 321 G CA 1.770 46.984 45.100 0.190 0.000 0.776 321 G HN 1.438 nan 8.290 nan 0.000 0.542 322 T N -4.309 110.401 114.554 0.260 0.000 2.865 322 T HA 0.440 4.790 4.350 -0.001 0.000 0.294 322 T C 0.763 175.489 174.700 0.044 0.000 1.119 322 T CA -0.187 61.975 62.100 0.103 0.000 1.007 322 T CB 2.112 70.968 68.868 -0.019 0.000 1.225 322 T HN 0.049 nan 8.240 nan 0.000 0.515 323 Q N 0.248 119.914 119.800 -0.223 0.000 2.124 323 Q HA -0.088 4.251 4.340 -0.001 0.000 0.202 323 Q C 2.256 178.232 176.000 -0.040 0.000 0.977 323 Q CA 1.832 57.568 55.803 -0.111 0.000 0.850 323 Q CB -0.672 27.915 28.738 -0.253 0.000 0.901 323 Q HN 0.868 nan 8.270 nan 0.000 0.429 324 A N 0.441 123.222 122.820 -0.065 0.000 1.930 324 A HA -0.216 4.103 4.320 -0.001 0.000 0.217 324 A C 1.919 179.501 177.584 -0.003 0.000 1.175 324 A CA 1.470 53.486 52.037 -0.036 0.000 0.627 324 A CB -0.446 18.526 19.000 -0.047 0.000 0.815 324 A HN 0.528 nan 8.150 nan 0.000 0.443 325 Q N -0.791 119.020 119.800 0.018 0.000 2.084 325 Q HA -0.096 4.243 4.340 -0.001 0.000 0.202 325 Q C 2.218 178.247 176.000 0.048 0.000 0.978 325 Q CA 1.219 57.044 55.803 0.037 0.000 0.844 325 Q CB -0.412 28.362 28.738 0.059 0.000 0.898 325 Q HN 0.685 nan 8.270 nan 0.000 0.426 326 G N 0.571 109.413 108.800 0.071 0.000 2.418 326 G HA2 -0.231 3.729 3.960 -0.001 0.000 0.217 326 G HA3 -0.231 3.729 3.960 -0.001 0.000 0.217 326 G C 1.476 176.402 174.900 0.043 0.000 1.158 326 G CA 0.810 45.956 45.100 0.076 0.000 0.771 326 G HN 0.417 nan 8.290 nan 0.000 0.545 327 A N 1.130 123.967 122.820 0.028 0.000 1.933 327 A HA 0.279 4.598 4.320 -0.001 0.000 0.218 327 A C 2.778 180.364 177.584 0.005 0.000 1.175 327 A CA 2.183 54.226 52.037 0.011 0.000 0.628 327 A CB -0.680 18.318 19.000 -0.003 0.000 0.814 327 A HN 0.756 nan 8.150 nan 0.000 0.444 328 A N -0.285 122.539 122.820 0.006 0.000 1.969 328 A HA -0.084 4.235 4.320 -0.001 0.000 0.218 328 A C 2.152 179.739 177.584 0.004 0.000 1.169 328 A CA 1.898 53.937 52.037 0.003 0.000 0.635 328 A CB -0.388 18.614 19.000 0.004 0.000 0.810 328 A HN 0.502 nan 8.150 nan 0.000 0.445 329 R N -0.165 120.341 120.500 0.011 0.000 2.066 329 R HA -0.063 4.277 4.340 -0.001 0.000 0.232 329 R C 1.775 178.074 176.300 -0.002 0.000 1.131 329 R CA 2.072 58.176 56.100 0.008 0.000 0.955 329 R CB -0.903 29.408 30.300 0.018 0.000 0.851 329 R HN 0.218 nan 8.270 nan 0.000 0.432 330 V N 1.015 120.929 119.914 -0.000 0.000 2.343 330 V HA -0.180 3.940 4.120 -0.001 0.000 0.247 330 V C 2.394 178.479 176.094 -0.014 0.000 1.051 330 V CA 1.883 64.177 62.300 -0.009 0.000 1.036 330 V CB -0.967 30.853 31.823 -0.005 0.000 0.654 330 V HN 0.564 nan 8.190 nan 0.000 0.451 331 A N 0.158 122.972 122.820 -0.011 0.000 1.908 331 A HA -0.183 4.136 4.320 -0.001 0.000 0.218 331 A C 2.437 180.013 177.584 -0.014 0.000 1.181 331 A CA 2.261 54.289 52.037 -0.014 0.000 0.627 331 A CB -0.831 18.162 19.000 -0.011 0.000 0.818 331 A HN 0.590 nan 8.150 nan 0.000 0.445 332 A N -0.254 122.560 122.820 -0.010 0.000 1.933 332 A HA 0.141 4.461 4.320 -0.001 0.000 0.218 332 A C 2.465 180.041 177.584 -0.013 0.000 1.175 332 A CA 2.087 54.118 52.037 -0.010 0.000 0.628 332 A CB -0.937 18.059 19.000 -0.007 0.000 0.814 332 A HN 1.120 nan 8.150 nan 0.000 0.444 333 A N -0.404 122.406 122.820 -0.016 0.000 2.015 333 A HA 0.060 4.380 4.320 -0.001 0.000 0.219 333 A C 2.056 179.628 177.584 -0.021 0.000 1.163 333 A CA 1.284 53.310 52.037 -0.019 0.000 0.646 333 A CB -0.490 18.496 19.000 -0.023 0.000 0.806 333 A HN 0.487 nan 8.150 nan 0.000 0.448 334 L N -0.863 120.345 121.223 -0.024 0.000 2.217 334 L HA -0.083 4.257 4.340 -0.001 0.000 0.211 334 L C 1.440 178.296 176.870 -0.023 0.000 1.107 334 L CA 0.970 55.792 54.840 -0.030 0.000 0.783 334 L CB -0.420 41.619 42.059 -0.034 0.000 0.919 334 L HN 0.245 nan 8.230 nan 0.000 0.442 335 D N -0.163 120.226 120.400 -0.018 0.000 2.301 335 D HA -0.092 4.548 4.640 -0.001 0.000 0.206 335 D C 1.152 177.446 176.300 -0.011 0.000 0.979 335 D CA 0.889 54.881 54.000 -0.014 0.000 0.874 335 D CB 0.089 40.882 40.800 -0.012 0.000 0.968 335 D HN 0.472 nan 8.370 nan 0.000 0.510 336 D N -1.210 119.184 120.400 -0.010 0.000 2.363 336 D HA 0.187 4.827 4.640 -0.001 0.000 0.214 336 D C 1.479 177.776 176.300 -0.004 0.000 1.093 336 D CA 0.393 54.390 54.000 -0.006 0.000 0.837 336 D CB 0.191 40.988 40.800 -0.006 0.000 0.948 336 D HN 0.123 nan 8.370 nan 0.000 0.507 337 G N 0.364 109.161 108.800 -0.004 0.000 2.176 337 G HA2 -0.373 3.587 3.960 -0.001 0.000 0.253 337 G HA3 -0.373 3.587 3.960 -0.001 0.000 0.253 337 G C 1.260 176.163 174.900 0.007 0.000 0.979 337 G CA 0.840 45.941 45.100 0.002 0.000 0.641 337 G HN 0.650 nan 8.290 nan 0.000 0.530 338 S N -0.011 115.689 115.700 0.001 0.000 2.395 338 S HA 0.405 4.874 4.470 -0.001 0.000 0.225 338 S C 2.616 177.221 174.600 0.008 0.000 1.027 338 S CA 1.466 59.667 58.200 0.002 0.000 0.965 338 S CB -0.336 62.859 63.200 -0.008 0.000 0.812 338 S HN 1.677 nan 8.310 nan 0.000 0.482 339 A N 2.081 124.902 122.820 0.001 0.000 1.877 339 A HA 0.061 4.381 4.320 -0.001 0.000 0.216 339 A C 2.237 179.848 177.584 0.045 0.000 1.186 339 A CA 1.611 53.652 52.037 0.006 0.000 0.620 339 A CB -0.984 18.002 19.000 -0.024 0.000 0.822 339 A HN 0.521 nan 8.150 nan 0.000 0.443 340 L N 0.148 121.392 121.223 0.036 0.000 2.046 340 L HA -0.045 4.295 4.340 -0.001 0.000 0.208 340 L C 2.413 179.358 176.870 0.125 0.000 1.077 340 L CA 2.316 57.206 54.840 0.083 0.000 0.747 340 L CB -1.017 41.069 42.059 0.044 0.000 0.896 340 L HN 0.315 nan 8.230 nan 0.000 0.432 341 G N -0.780 108.062 108.800 0.070 0.000 2.446 341 G HA2 -0.257 3.703 3.960 -0.001 0.000 0.217 341 G HA3 -0.257 3.703 3.960 -0.001 0.000 0.217 341 G C 1.645 176.581 174.900 0.059 0.000 1.168 341 G CA 0.592 45.724 45.100 0.054 0.000 0.771 341 G HN 0.284 nan 8.290 nan 0.000 0.551 342 R N -0.432 120.107 120.500 0.065 0.000 2.092 342 R HA 0.015 4.354 4.340 -0.001 0.000 0.231 342 R C 2.229 178.594 176.300 0.107 0.000 1.119 342 R CA 0.674 56.808 56.100 0.057 0.000 0.970 342 R CB -1.098 29.224 30.300 0.037 0.000 0.864 342 R HN 0.464 nan 8.270 nan 0.000 0.440 343 F N 2.273 122.220 119.950 -0.005 0.000 2.102 343 F HA -0.158 4.369 4.527 -0.000 0.000 0.298 343 F C 2.417 178.234 175.800 0.028 0.000 1.105 343 F CA 1.552 59.558 58.000 0.010 0.000 1.239 343 F CB -0.247 38.751 39.000 -0.003 0.000 0.991 343 F HN 0.071 nan 8.300 nan 0.000 0.474 344 E N -0.131 120.084 120.200 0.025 0.000 2.118 344 E HA -0.231 4.119 4.350 -0.001 0.000 0.195 344 E C 2.352 178.906 176.600 -0.076 0.000 0.992 344 E CA 1.012 57.378 56.400 -0.057 0.000 0.804 344 E CB -0.005 29.707 29.700 0.020 0.000 0.741 344 E HN 0.293 nan 8.360 nan 0.000 0.458 345 R N 0.124 120.601 120.500 -0.039 0.000 2.081 345 R HA -0.123 4.217 4.340 -0.001 0.000 0.235 345 R C 2.372 178.637 176.300 -0.057 0.000 1.131 345 R CA 1.259 57.336 56.100 -0.038 0.000 0.960 345 R CB -0.688 29.601 30.300 -0.019 0.000 0.856 345 R HN 0.381 nan 8.270 nan 0.000 0.436 346 M N 0.735 120.294 119.600 -0.068 0.000 2.117 346 M HA -0.126 4.353 4.480 -0.001 0.000 0.262 346 M C 2.043 178.303 176.300 -0.067 0.000 1.065 346 M CA 1.524 56.792 55.300 -0.055 0.000 1.114 346 M CB -0.011 32.581 32.600 -0.013 0.000 1.361 346 M HN 0.058 nan 8.290 nan 0.000 0.408 347 L N -0.104 121.034 121.223 -0.143 0.000 2.017 347 L HA -0.159 4.181 4.340 -0.001 0.000 0.208 347 L C 2.753 179.582 176.870 -0.068 0.000 1.073 347 L CA 1.348 56.156 54.840 -0.053 0.000 0.745 347 L CB -1.096 40.846 42.059 -0.196 0.000 0.894 347 L HN 0.373 nan 8.230 nan 0.000 0.432 348 A N -0.043 122.728 122.820 -0.080 0.000 1.930 348 A HA -0.077 4.242 4.320 -0.001 0.000 0.217 348 A C 2.476 180.010 177.584 -0.084 0.000 1.175 348 A CA 1.519 53.515 52.037 -0.068 0.000 0.627 348 A CB -0.578 18.393 19.000 -0.049 0.000 0.815 348 A HN 0.399 nan 8.150 nan 0.000 0.443 349 A N -1.044 121.722 122.820 -0.090 0.000 2.014 349 A HA -0.088 4.232 4.320 -0.001 0.000 0.218 349 A C 1.859 179.355 177.584 -0.147 0.000 1.163 349 A CA 1.274 53.257 52.037 -0.089 0.000 0.652 349 A CB -0.282 18.681 19.000 -0.062 0.000 0.808 349 A HN 0.616 nan 8.150 nan 0.000 0.449 350 Q N -1.687 117.963 119.800 -0.251 0.000 2.204 350 Q HA 0.326 4.666 4.340 -0.001 0.000 0.209 350 Q C 0.910 176.646 176.000 -0.441 0.000 0.861 350 Q CA 0.318 55.855 55.803 -0.443 0.000 0.971 350 Q CB 0.472 28.703 28.738 -0.845 0.000 1.095 350 Q HN 0.779 nan 8.270 nan 0.000 0.486 351 G N -0.185 108.469 108.800 -0.243 0.000 2.284 351 G HA2 -0.213 3.746 3.960 -0.001 0.000 0.201 351 G HA3 -0.213 3.746 3.960 -0.001 0.000 0.201 351 G C 0.197 175.045 174.900 -0.086 0.000 0.998 351 G CA -0.347 44.659 45.100 -0.156 0.000 0.651 351 G HN 0.183 nan 8.290 nan 0.000 0.489 352 V N 2.201 122.074 119.914 -0.068 0.000 2.529 352 V HA 0.331 4.451 4.120 -0.001 0.000 0.292 352 V C 0.860 176.942 176.094 -0.021 0.000 1.028 352 V CA 0.359 62.656 62.300 -0.006 0.000 1.074 352 V CB 1.197 33.043 31.823 0.038 0.000 0.958 352 V HN 0.490 nan 8.190 nan 0.000 0.481 353 D N 6.803 127.196 120.400 -0.010 0.000 2.531 353 D HA 0.025 4.665 4.640 -0.001 0.000 0.239 353 D C -1.399 174.894 176.300 -0.012 0.000 1.144 353 D CA -0.742 53.251 54.000 -0.012 0.000 0.869 353 D CB 1.202 41.999 40.800 -0.005 0.000 1.160 353 D HN 0.279 nan 8.370 nan 0.000 0.484 354 P HA -0.137 nan 4.420 nan 0.000 0.216 354 P C 1.333 178.629 177.300 -0.008 0.000 1.154 354 P CA 1.573 64.665 63.100 -0.014 0.000 0.865 354 P CB 0.014 31.706 31.700 -0.013 0.000 0.789 355 G N -0.412 108.385 108.800 -0.005 0.000 2.422 355 G HA2 -0.239 3.720 3.960 -0.001 0.000 0.218 355 G HA3 -0.239 3.720 3.960 -0.001 0.000 0.218 355 G C 1.454 176.355 174.900 0.002 0.000 1.146 355 G CA 0.627 45.727 45.100 -0.001 0.000 0.769 355 G HN 0.254 nan 8.290 nan 0.000 0.547 356 L N 1.199 122.423 121.223 0.002 0.000 2.072 356 L HA 0.300 4.640 4.340 -0.001 0.000 0.205 356 L C 3.024 179.899 176.870 0.007 0.000 1.079 356 L CA 2.049 56.892 54.840 0.006 0.000 0.752 356 L CB -0.771 41.293 42.059 0.008 0.000 0.906 356 L HN 0.204 nan 8.230 nan 0.000 0.436 357 A N -0.066 122.754 122.820 -0.001 0.000 1.883 357 A HA -0.292 4.028 4.320 -0.001 0.000 0.217 357 A C 2.488 180.075 177.584 0.004 0.000 1.186 357 A CA 2.078 54.109 52.037 -0.010 0.000 0.624 357 A CB -0.689 18.292 19.000 -0.032 0.000 0.822 357 A HN 0.506 nan 8.150 nan 0.000 0.444 358 R N -0.162 120.341 120.500 0.005 0.000 2.075 358 R HA 0.005 4.344 4.340 -0.001 0.000 0.232 358 R C 2.162 178.473 176.300 0.018 0.000 1.126 358 R CA 1.796 57.903 56.100 0.012 0.000 0.963 358 R CB -0.677 29.627 30.300 0.007 0.000 0.858 358 R HN 0.399 nan 8.270 nan 0.000 0.435 359 A N 0.179 123.008 122.820 0.015 0.000 1.969 359 A HA -0.090 4.229 4.320 -0.001 0.000 0.218 359 A C 2.018 179.616 177.584 0.023 0.000 1.169 359 A CA 1.281 53.327 52.037 0.016 0.000 0.635 359 A CB -0.526 18.481 19.000 0.012 0.000 0.810 359 A HN 0.370 nan 8.150 nan 0.000 0.445 360 L N -0.831 120.410 121.223 0.030 0.000 2.095 360 L HA -0.086 4.254 4.340 -0.001 0.000 0.204 360 L C 2.433 179.340 176.870 0.063 0.000 1.080 360 L CA 1.981 56.848 54.840 0.045 0.000 0.759 360 L CB -0.497 41.594 42.059 0.053 0.000 0.914 360 L HN 0.446 nan 8.230 nan 0.000 0.439 361 C N -1.117 118.227 119.300 0.073 0.000 2.475 361 C HA -0.017 4.443 4.460 -0.001 0.000 0.279 361 C C 2.915 177.939 174.990 0.057 0.000 1.322 361 C CA 0.852 59.926 59.018 0.094 0.000 1.734 361 C CB -1.004 26.805 27.740 0.115 0.000 2.005 361 C HN 0.738 nan 8.230 nan 0.000 0.495 362 S N 0.406 116.129 115.700 0.039 0.000 2.558 362 S HA 0.204 4.674 4.470 -0.001 0.000 0.217 362 S C 0.949 175.560 174.600 0.019 0.000 0.975 362 S CA 0.452 58.667 58.200 0.026 0.000 0.912 362 S CB -0.319 62.893 63.200 0.020 0.000 0.776 362 S HN 0.549 nan 8.310 nan 0.000 0.526 363 G N 1.937 110.750 108.800 0.021 0.000 2.572 363 G HA2 0.440 4.400 3.960 -0.001 0.000 0.261 363 G HA3 0.440 4.400 3.960 -0.001 0.000 0.261 363 G C 0.027 174.933 174.900 0.011 0.000 1.197 363 G CA -0.104 45.005 45.100 0.015 0.000 0.870 363 G HN 0.550 nan 8.290 nan 0.000 0.548 364 S N 1.368 117.072 115.700 0.007 0.000 2.600 364 S HA 0.264 4.733 4.470 -0.001 0.000 0.265 364 S C -1.451 173.150 174.600 0.002 0.000 1.325 364 S CA -0.815 57.386 58.200 0.003 0.000 1.002 364 S CB 1.656 64.857 63.200 0.002 0.000 0.921 364 S HN 0.263 nan 8.310 nan 0.000 0.554 365 P HA -0.143 nan 4.420 nan 0.000 0.216 365 P C 1.560 178.857 177.300 -0.004 0.000 1.154 365 P CA 2.177 65.273 63.100 -0.006 0.000 0.865 365 P CB -0.274 31.421 31.700 -0.008 0.000 0.789 366 A N -0.386 122.433 122.820 -0.001 0.000 1.930 366 A HA -0.217 4.102 4.320 -0.001 0.000 0.217 366 A C 2.120 179.705 177.584 0.001 0.000 1.175 366 A CA 1.602 53.639 52.037 0.000 0.000 0.627 366 A CB -1.075 17.926 19.000 0.002 0.000 0.815 366 A HN 0.204 nan 8.150 nan 0.000 0.443 367 E N -0.468 119.733 120.200 0.003 0.000 2.106 367 E HA -0.154 4.195 4.350 -0.001 0.000 0.192 367 E C 2.294 178.897 176.600 0.005 0.000 0.984 367 E CA 0.957 57.359 56.400 0.004 0.000 0.806 367 E CB -0.139 29.565 29.700 0.006 0.000 0.750 367 E HN 0.545 nan 8.360 nan 0.000 0.458 368 R N 0.662 121.165 120.500 0.005 0.000 2.081 368 R HA -0.066 4.273 4.340 -0.001 0.000 0.235 368 R C 2.387 178.685 176.300 -0.002 0.000 1.131 368 R CA 1.169 57.273 56.100 0.006 0.000 0.960 368 R CB -0.181 30.123 30.300 0.007 0.000 0.856 368 R HN 0.053 nan 8.270 nan 0.000 0.436 369 R N 0.324 120.818 120.500 -0.009 0.000 2.105 369 R HA -0.145 4.195 4.340 -0.001 0.000 0.239 369 R C 2.319 178.613 176.300 -0.010 0.000 1.135 369 R CA 1.165 57.255 56.100 -0.018 0.000 0.967 369 R CB -0.157 30.134 30.300 -0.017 0.000 0.861 369 R HN 0.297 nan 8.270 nan 0.000 0.442 370 Q N 0.407 120.206 119.800 -0.003 0.000 2.167 370 Q HA -0.084 4.256 4.340 -0.001 0.000 0.202 370 Q C 2.122 178.123 176.000 0.001 0.000 0.970 370 Q CA 1.203 57.006 55.803 0.001 0.000 0.855 370 Q CB 0.085 28.825 28.738 0.003 0.000 0.911 370 Q HN 0.400 nan 8.270 nan 0.000 0.438 371 L N -0.204 121.020 121.223 0.003 0.000 2.375 371 L HA 0.076 4.416 4.340 -0.001 0.000 0.215 371 L C 0.861 177.734 176.870 0.005 0.000 1.108 371 L CA 0.183 55.027 54.840 0.006 0.000 0.830 371 L CB 0.110 42.176 42.059 0.011 0.000 0.959 371 L HN 0.018 nan 8.230 nan 0.000 0.457 372 L N 0.084 121.308 121.223 0.000 0.000 2.334 372 L HA 0.412 4.751 4.340 -0.001 0.000 0.270 372 L C -2.114 174.751 176.870 -0.010 0.000 1.018 372 L CA -2.219 52.619 54.840 -0.003 0.000 0.811 372 L CB 0.897 42.953 42.059 -0.006 0.000 1.271 372 L HN -0.237 nan 8.230 nan 0.000 0.443 373 P HA 0.055 nan 4.420 nan 0.000 0.264 373 P C -1.132 176.155 177.300 -0.021 0.000 1.183 373 P CA 0.245 63.339 63.100 -0.011 0.000 0.763 373 P CB 0.383 32.078 31.700 -0.009 0.000 0.807 374 R N 1.706 122.199 120.500 -0.012 0.000 2.599 374 R HA 0.632 4.972 4.340 -0.001 0.000 0.295 374 R C -0.067 176.243 176.300 0.016 0.000 0.963 374 R CA -0.956 55.138 56.100 -0.010 0.000 0.883 374 R CB 2.020 32.322 30.300 0.004 0.000 1.171 374 R HN 0.482 nan 8.270 nan 0.000 0.450 375 A N 2.187 125.031 122.820 0.040 0.000 2.445 375 A HA 0.085 4.405 4.320 -0.001 0.000 0.242 375 A C 0.893 178.514 177.584 0.060 0.000 1.075 375 A CA -0.188 51.887 52.037 0.063 0.000 0.777 375 A CB 0.345 19.411 19.000 0.110 0.000 1.013 375 A HN 0.909 nan 8.150 nan 0.000 0.493 376 R N 0.552 121.074 120.500 0.037 0.000 2.115 376 R HA -0.012 4.328 4.340 -0.001 0.000 0.230 376 R C -0.127 176.185 176.300 0.021 0.000 1.111 376 R CA 1.028 57.143 56.100 0.024 0.000 0.976 376 R CB -0.066 30.242 30.300 0.013 0.000 0.870 376 R HN 0.726 nan 8.270 nan 0.000 0.445 377 E N 0.835 121.046 120.200 0.019 0.000 2.312 377 E HA 0.317 4.666 4.350 -0.001 0.000 0.267 377 E C -0.985 175.594 176.600 -0.036 0.000 0.894 377 E CA -0.592 55.803 56.400 -0.007 0.000 0.773 377 E CB 2.284 31.975 29.700 -0.015 0.000 1.241 377 E HN 0.047 nan 8.360 nan 0.000 0.432 378 Q N 0.929 120.679 119.800 -0.083 0.000 2.359 378 Q HA 0.375 4.715 4.340 -0.001 0.000 0.274 378 Q C -1.034 174.872 176.000 -0.157 0.000 1.074 378 Q CA -0.688 55.001 55.803 -0.189 0.000 0.810 378 Q CB 2.940 31.542 28.738 -0.226 0.000 1.342 378 Q HN 0.531 nan 8.270 nan 0.000 0.427 379 E N 0.993 121.078 120.200 -0.191 0.000 2.356 379 E HA 0.486 4.836 4.350 -0.001 0.000 0.275 379 E C -1.276 175.208 176.600 -0.194 0.000 0.904 379 E CA -0.839 55.469 56.400 -0.153 0.000 0.757 379 E CB 2.134 31.768 29.700 -0.110 0.000 1.232 379 E HN 0.381 nan 8.360 nan 0.000 0.442 380 E N 1.957 122.057 120.200 -0.166 0.000 2.179 380 E HA 0.340 4.690 4.350 -0.001 0.000 0.275 380 E C -0.973 175.515 176.600 -0.187 0.000 0.945 380 E CA -0.989 55.291 56.400 -0.199 0.000 0.792 380 E CB 1.692 31.301 29.700 -0.150 0.000 1.125 380 E HN 0.307 nan 8.360 nan 0.000 0.397 381 L N 3.331 124.371 121.223 -0.306 0.000 2.307 381 L HA 0.354 4.694 4.340 -0.001 0.000 0.282 381 L C -0.489 176.314 176.870 -0.111 0.000 1.051 381 L CA -0.075 54.629 54.840 -0.227 0.000 0.804 381 L CB 0.655 42.513 42.059 -0.334 0.000 1.197 381 L HN 0.341 nan 8.230 nan 0.000 0.431 382 L N 2.453 123.749 121.223 0.123 0.000 2.344 382 L HA 0.724 5.063 4.340 -0.001 0.000 0.272 382 L C 0.420 177.498 176.870 0.347 0.000 1.035 382 L CA -1.073 53.895 54.840 0.213 0.000 0.807 382 L CB 1.363 43.481 42.059 0.099 0.000 1.237 382 L HN 0.683 nan 8.230 nan 0.000 0.442 383 A N 2.978 125.968 122.820 0.283 0.000 2.492 383 A HA 0.283 4.603 4.320 -0.001 0.000 0.254 383 A C -1.465 176.152 177.584 0.056 0.000 1.091 383 A CA -0.924 51.180 52.037 0.111 0.000 0.768 383 A CB -0.220 18.805 19.000 0.041 0.000 1.028 383 A HN 0.640 nan 8.150 nan 0.000 0.498 384 P HA 0.091 nan 4.420 nan 0.000 0.225 384 P C 0.363 177.661 177.300 -0.003 0.000 1.156 384 P CA 1.758 64.865 63.100 0.013 0.000 0.787 384 P CB 0.246 31.945 31.700 -0.002 0.000 0.802 385 A N -1.029 121.779 122.820 -0.020 0.000 2.557 385 A HA 0.485 4.804 4.320 -0.001 0.000 0.292 385 A C -1.372 176.198 177.584 -0.023 0.000 1.139 385 A CA -0.595 51.431 52.037 -0.018 0.000 0.665 385 A CB 0.157 19.144 19.000 -0.023 0.000 1.285 385 A HN -0.210 nan 8.150 nan 0.000 0.433 386 D N -0.209 120.180 120.400 -0.018 0.000 2.423 386 D HA 0.496 5.136 4.640 -0.001 0.000 0.238 386 D C 0.442 176.725 176.300 -0.028 0.000 1.142 386 D CA 2.152 56.141 54.000 -0.019 0.000 0.884 386 D CB 1.112 41.905 40.800 -0.012 0.000 1.199 386 D HN 1.190 nan 8.370 nan 0.000 0.438 387 G N 0.093 108.875 108.800 -0.031 0.000 2.340 387 G HA2 0.305 4.265 3.960 -0.001 0.000 0.298 387 G HA3 0.305 4.265 3.960 -0.001 0.000 0.298 387 G C -1.118 173.759 174.900 -0.039 0.000 1.498 387 G CA -0.830 44.250 45.100 -0.033 0.000 0.847 387 G HN 0.316 nan 8.290 nan 0.000 0.594 388 T N 0.882 115.423 114.554 -0.023 0.000 2.806 388 T HA 0.439 4.789 4.350 -0.001 0.000 0.290 388 T C 0.677 175.348 174.700 -0.048 0.000 0.966 388 T CA -0.301 61.777 62.100 -0.036 0.000 1.060 388 T CB 1.522 70.410 68.868 0.035 0.000 0.927 388 T HN 0.647 nan 8.240 nan 0.000 0.485 389 V N 4.888 124.737 119.914 -0.109 0.000 2.434 389 V HA 0.012 4.132 4.120 -0.001 0.000 0.281 389 V C 1.511 177.586 176.094 -0.031 0.000 1.005 389 V CA 0.282 62.517 62.300 -0.108 0.000 1.089 389 V CB 0.007 31.753 31.823 -0.129 0.000 0.978 389 V HN 0.862 nan 8.190 nan 0.000 0.474 390 E N 3.195 123.422 120.200 0.045 0.000 2.170 390 E HA 0.125 4.475 4.350 -0.001 0.000 0.191 390 E C 0.138 176.813 176.600 0.124 0.000 0.981 390 E CA 0.538 57.041 56.400 0.172 0.000 0.830 390 E CB 0.558 30.315 29.700 0.094 0.000 0.775 390 E HN 0.548 nan 8.360 nan 0.000 0.470 391 L N -1.169 120.068 121.223 0.023 0.000 2.731 391 L HA 0.242 4.582 4.340 -0.001 0.000 0.256 391 L C -1.889 174.957 176.870 -0.041 0.000 0.947 391 L CA -0.537 54.307 54.840 0.008 0.000 0.914 391 L CB 1.944 44.009 42.059 0.009 0.000 1.470 391 L HN -0.317 nan 8.230 nan 0.000 0.421 392 V N 4.315 124.224 119.914 -0.008 0.000 2.326 392 V HA 0.535 4.655 4.120 -0.001 0.000 0.281 392 V C 0.183 176.298 176.094 0.036 0.000 1.015 392 V CA -0.508 61.799 62.300 0.012 0.000 0.823 392 V CB 1.244 33.127 31.823 0.100 0.000 1.009 392 V HN 0.708 nan 8.190 nan 0.000 0.436 393 R N 2.980 123.494 120.500 0.022 0.000 2.421 393 R HA 0.303 4.642 4.340 -0.001 0.000 0.305 393 R C 1.395 177.718 176.300 0.039 0.000 1.039 393 R CA 0.462 56.574 56.100 0.021 0.000 1.003 393 R CB 0.840 31.144 30.300 0.006 0.000 0.959 393 R HN 0.864 nan 8.270 nan 0.000 0.427 394 A N 4.182 127.019 122.820 0.028 0.000 1.930 394 A HA -0.158 4.161 4.320 -0.001 0.000 0.217 394 A C 1.834 179.426 177.584 0.014 0.000 1.175 394 A CA 0.910 52.966 52.037 0.032 0.000 0.627 394 A CB -0.286 18.731 19.000 0.029 0.000 0.815 394 A HN 0.691 nan 8.150 nan 0.000 0.443 395 L N 0.518 121.730 121.223 -0.019 0.000 1.994 395 L HA -0.043 4.297 4.340 -0.001 0.000 0.208 395 L C -0.854 175.952 176.870 -0.107 0.000 1.071 395 L CA 2.399 57.177 54.840 -0.104 0.000 0.745 395 L CB -1.158 40.825 42.059 -0.128 0.000 0.892 395 L HN 0.167 nan 8.230 nan 0.000 0.431 396 P HA -0.158 nan 4.420 nan 0.000 0.220 396 P C 2.157 179.461 177.300 0.007 0.000 1.148 396 P CA 1.351 64.438 63.100 -0.021 0.000 0.803 396 P CB -0.028 31.681 31.700 0.016 0.000 0.782 397 L N -0.915 120.325 121.223 0.029 0.000 2.027 397 L HA -0.127 4.213 4.340 -0.001 0.000 0.206 397 L C 2.337 179.228 176.870 0.035 0.000 1.074 397 L CA 1.578 56.444 54.840 0.044 0.000 0.745 397 L CB -0.836 41.260 42.059 0.062 0.000 0.898 397 L HN -0.064 nan 8.230 nan 0.000 0.433 398 A N -0.070 122.767 122.820 0.028 0.000 1.883 398 A HA -0.221 4.099 4.320 -0.001 0.000 0.217 398 A C 2.142 179.769 177.584 0.072 0.000 1.186 398 A CA 1.722 53.799 52.037 0.066 0.000 0.624 398 A CB -0.833 18.233 19.000 0.111 0.000 0.822 398 A HN 0.461 nan 8.150 nan 0.000 0.444 399 L N -0.714 120.496 121.223 -0.022 0.000 2.046 399 L HA -0.147 4.193 4.340 -0.001 0.000 0.208 399 L C 2.503 179.407 176.870 0.056 0.000 1.077 399 L CA 1.003 55.827 54.840 -0.026 0.000 0.747 399 L CB -0.580 41.417 42.059 -0.103 0.000 0.896 399 L HN 0.247 nan 8.230 nan 0.000 0.432 400 V N 0.030 119.972 119.914 0.046 0.000 2.323 400 V HA -0.242 3.878 4.120 -0.001 0.000 0.244 400 V C 2.378 178.518 176.094 0.077 0.000 1.041 400 V CA 1.447 63.779 62.300 0.055 0.000 1.025 400 V CB -0.291 31.553 31.823 0.034 0.000 0.656 400 V HN 0.332 nan 8.190 nan 0.000 0.451 401 L N -0.502 120.770 121.223 0.081 0.000 2.083 401 L HA -0.214 4.126 4.340 -0.001 0.000 0.209 401 L C 2.543 179.484 176.870 0.119 0.000 1.083 401 L CA 2.069 56.959 54.840 0.083 0.000 0.752 401 L CB -0.851 41.248 42.059 0.066 0.000 0.899 401 L HN 0.483 nan 8.230 nan 0.000 0.433 402 H N 0.667 119.771 119.070 0.057 0.000 2.319 402 H HA -0.219 4.337 4.556 -0.000 0.000 0.297 402 H C 2.124 177.483 175.328 0.053 0.000 1.097 402 H CA 2.172 58.261 56.048 0.068 0.000 1.285 402 H CB 0.154 29.963 29.762 0.079 0.000 1.368 402 H HN 0.321 nan 8.280 nan 0.000 0.495 403 E N 0.022 120.348 120.200 0.210 0.000 2.204 403 E HA -0.115 4.235 4.350 -0.001 0.000 0.195 403 E C 1.818 178.448 176.600 0.049 0.000 0.990 403 E CA 0.929 57.405 56.400 0.127 0.000 0.821 403 E CB 0.077 29.844 29.700 0.112 0.000 0.750 403 E HN 0.559 nan 8.360 nan 0.000 0.477 404 L N -0.691 120.557 121.223 0.043 0.000 2.591 404 L HA 0.156 4.496 4.340 -0.001 0.000 0.228 404 L C 1.386 178.262 176.870 0.010 0.000 1.133 404 L CA 0.448 55.303 54.840 0.026 0.000 0.880 404 L CB 0.260 42.338 42.059 0.032 0.000 1.033 404 L HN 0.321 nan 8.230 nan 0.000 0.450 405 G N -0.907 107.884 108.800 -0.014 0.000 2.205 405 G HA2 -0.210 3.750 3.960 -0.001 0.000 0.180 405 G HA3 -0.210 3.750 3.960 -0.001 0.000 0.180 405 G C 0.826 175.711 174.900 -0.026 0.000 1.004 405 G CA 0.060 45.140 45.100 -0.033 0.000 0.670 405 G HN 0.285 nan 8.290 nan 0.000 0.496 406 A N 0.043 122.874 122.820 0.019 0.000 2.238 406 A HA 0.669 4.989 4.320 -0.001 0.000 0.208 406 A C 1.405 179.042 177.584 0.088 0.000 1.177 406 A CA 1.879 53.995 52.037 0.132 0.000 0.804 406 A CB -0.084 19.011 19.000 0.158 0.000 0.823 406 A HN 1.786 nan 8.150 nan 0.000 0.482 407 G N -1.070 107.624 108.800 -0.176 0.000 2.798 407 G HA2 0.596 4.556 3.960 -0.001 0.000 0.286 407 G HA3 0.596 4.556 3.960 -0.001 0.000 0.286 407 G C -0.932 173.665 174.900 -0.505 0.000 1.389 407 G CA -0.927 43.923 45.100 -0.418 0.000 0.894 407 G HN 0.217 nan 8.290 nan 0.000 0.488 408 R N -0.378 119.922 120.500 -0.332 0.000 2.562 408 R HA 0.436 4.776 4.340 -0.001 0.000 0.298 408 R C 0.674 176.991 176.300 0.029 0.000 0.961 408 R CA -0.351 55.684 56.100 -0.108 0.000 0.881 408 R CB 1.928 32.226 30.300 -0.002 0.000 1.159 408 R HN 0.590 nan 8.270 nan 0.000 0.450 409 S N 2.179 117.902 115.700 0.037 0.000 2.535 409 S HA 0.087 4.556 4.470 -0.001 0.000 0.214 409 S C 0.475 175.115 174.600 0.067 0.000 0.980 409 S CA -0.371 57.888 58.200 0.099 0.000 0.907 409 S CB 0.117 63.366 63.200 0.081 0.000 0.790 409 S HN 0.682 nan 8.310 nan 0.000 0.510 410 R N -0.173 120.355 120.500 0.046 0.000 2.663 410 R HA 0.741 5.081 4.340 -0.001 0.000 0.267 410 R C -1.141 175.181 176.300 0.037 0.000 1.038 410 R CA -0.736 55.389 56.100 0.040 0.000 0.886 410 R CB 0.829 31.147 30.300 0.031 0.000 1.249 410 R HN 0.046 nan 8.270 nan 0.000 0.463 411 A N 0.634 123.479 122.820 0.041 0.000 2.462 411 A HA 0.475 4.795 4.320 -0.001 0.000 0.243 411 A C 1.403 179.006 177.584 0.032 0.000 1.076 411 A CA 0.785 52.849 52.037 0.045 0.000 0.773 411 A CB -0.398 18.633 19.000 0.052 0.000 1.010 411 A HN 1.617 nan 8.150 nan 0.000 0.493 412 G N 0.529 109.348 108.800 0.031 0.000 2.184 412 G HA2 -0.261 3.699 3.960 -0.001 0.000 0.264 412 G HA3 -0.261 3.699 3.960 -0.001 0.000 0.264 412 G C 0.235 175.139 174.900 0.007 0.000 0.975 412 G CA 0.603 45.714 45.100 0.019 0.000 0.642 412 G HN 1.128 nan 8.290 nan 0.000 0.536 413 E N 1.565 121.768 120.200 0.005 0.000 2.324 413 E HA 0.373 4.723 4.350 -0.001 0.000 0.271 413 E C -1.955 174.632 176.600 -0.022 0.000 1.028 413 E CA -1.662 54.734 56.400 -0.008 0.000 0.890 413 E CB 0.693 30.388 29.700 -0.010 0.000 1.004 413 E HN 0.213 nan 8.360 nan 0.000 0.431 414 P HA 0.064 nan 4.420 nan 0.000 0.271 414 P C -0.789 176.475 177.300 -0.061 0.000 1.218 414 P CA 0.094 63.169 63.100 -0.041 0.000 0.780 414 P CB 0.550 32.231 31.700 -0.031 0.000 0.901 415 L N 2.398 123.565 121.223 -0.093 0.000 2.352 415 L HA 0.467 4.807 4.340 -0.001 0.000 0.269 415 L C 0.912 177.723 176.870 -0.098 0.000 1.034 415 L CA -0.871 53.896 54.840 -0.122 0.000 0.806 415 L CB 1.023 42.941 42.059 -0.237 0.000 1.244 415 L HN 0.210 nan 8.230 nan 0.000 0.447 416 R N 2.358 122.818 120.500 -0.066 0.000 2.296 416 R HA 0.238 4.577 4.340 -0.001 0.000 0.327 416 R C 0.560 176.849 176.300 -0.018 0.000 1.137 416 R CA -0.252 55.828 56.100 -0.033 0.000 1.020 416 R CB 0.423 30.718 30.300 -0.008 0.000 1.110 416 R HN 0.590 nan 8.270 nan 0.000 0.499 417 L N 1.156 122.354 121.223 -0.043 0.000 2.395 417 L HA 0.011 4.350 4.340 -0.001 0.000 0.218 417 L C 2.095 178.991 176.870 0.043 0.000 1.130 417 L CA 0.889 55.716 54.840 -0.022 0.000 0.826 417 L CB -0.014 42.006 42.059 -0.064 0.000 0.941 417 L HN 0.776 nan 8.230 nan 0.000 0.451 418 G N -0.571 108.239 108.800 0.017 0.000 2.551 418 G HA2 0.032 3.992 3.960 -0.001 0.000 0.216 418 G HA3 0.032 3.992 3.960 -0.001 0.000 0.216 418 G C 0.715 175.622 174.900 0.011 0.000 1.137 418 G CA -0.119 44.980 45.100 -0.002 0.000 0.798 418 G HN 0.056 nan 8.290 nan 0.000 0.536 419 V N 0.797 120.742 119.914 0.051 0.000 2.740 419 V HA 0.582 4.702 4.120 -0.001 0.000 0.303 419 V C 0.931 177.068 176.094 0.071 0.000 1.054 419 V CA 0.996 63.340 62.300 0.074 0.000 1.106 419 V CB 0.684 32.547 31.823 0.066 0.000 0.957 419 V HN 0.606 nan 8.190 nan 0.000 0.486 420 G N 2.672 111.521 108.800 0.083 0.000 2.333 420 G HA2 0.666 4.626 3.960 -0.001 0.000 0.288 420 G HA3 0.666 4.626 3.960 -0.001 0.000 0.288 420 G C -1.348 173.619 174.900 0.111 0.000 1.286 420 G CA 0.030 45.163 45.100 0.055 0.000 0.865 420 G HN 1.289 nan 8.290 nan 0.000 0.506 421 A N -0.680 122.186 122.820 0.075 0.000 2.549 421 A HA 0.848 5.168 4.320 -0.001 0.000 0.297 421 A C -0.998 176.615 177.584 0.049 0.000 1.061 421 A CA -0.471 51.606 52.037 0.066 0.000 0.690 421 A CB 1.703 20.690 19.000 -0.022 0.000 1.287 421 A HN 0.645 nan 8.150 nan 0.000 0.402 422 E N 1.633 121.856 120.200 0.040 0.000 2.176 422 E HA 0.459 4.808 4.350 -0.001 0.000 0.267 422 E C -1.065 175.517 176.600 -0.030 0.000 0.893 422 E CA -0.569 55.842 56.400 0.020 0.000 0.761 422 E CB 1.934 31.673 29.700 0.065 0.000 1.133 422 E HN 0.565 nan 8.360 nan 0.000 0.409 423 L N 4.324 125.548 121.223 0.002 0.000 2.410 423 L HA 0.116 4.455 4.340 -0.001 0.000 0.273 423 L C 0.849 177.739 176.870 0.034 0.000 1.144 423 L CA 0.031 54.895 54.840 0.039 0.000 0.863 423 L CB 0.310 42.419 42.059 0.085 0.000 1.140 423 L HN 0.604 nan 8.230 nan 0.000 0.463 424 L N 4.564 125.814 121.223 0.044 0.000 2.640 424 L HA 0.162 4.502 4.340 -0.001 0.000 0.230 424 L C 0.245 177.152 176.870 0.062 0.000 1.123 424 L CA -0.066 54.795 54.840 0.036 0.000 0.900 424 L CB 0.273 42.337 42.059 0.009 0.000 1.146 424 L HN 0.519 nan 8.230 nan 0.000 0.484 425 V N -5.438 114.535 119.914 0.097 0.000 3.040 425 V HA 0.584 4.704 4.120 -0.001 0.000 0.312 425 V C -0.974 175.143 176.094 0.038 0.000 1.115 425 V CA -1.002 61.340 62.300 0.070 0.000 0.998 425 V CB 2.516 34.397 31.823 0.097 0.000 1.042 425 V HN -0.167 nan 8.190 nan 0.000 0.433 426 D N 1.004 121.398 120.400 -0.011 0.000 2.253 426 D HA 0.489 5.129 4.640 -0.001 0.000 0.249 426 D C -0.253 175.996 176.300 -0.085 0.000 1.049 426 D CA -0.171 53.804 54.000 -0.041 0.000 0.929 426 D CB 2.291 43.051 40.800 -0.067 0.000 1.176 426 D HN 0.508 nan 8.370 nan 0.000 0.437 427 V N 1.116 120.980 119.914 -0.084 0.000 2.572 427 V HA 0.373 4.492 4.120 -0.001 0.000 0.291 427 V C 1.437 177.306 176.094 -0.376 0.000 1.039 427 V CA 1.263 63.483 62.300 -0.133 0.000 1.055 427 V CB 0.688 32.505 31.823 -0.010 0.000 0.969 427 V HN 0.961 nan 8.190 nan 0.000 0.482 428 G N 3.639 111.996 108.800 -0.739 0.000 2.194 428 G HA2 -0.232 3.727 3.960 -0.001 0.000 0.236 428 G HA3 -0.232 3.727 3.960 -0.001 0.000 0.236 428 G C 0.266 174.735 174.900 -0.719 0.000 0.987 428 G CA 0.295 44.461 45.100 -1.557 0.000 0.635 428 G HN 0.776 nan 8.290 nan 0.000 0.520 429 Q N 0.265 119.834 119.800 -0.385 0.000 2.267 429 Q HA 0.608 4.947 4.340 -0.001 0.000 0.255 429 Q C 0.314 176.222 176.000 -0.153 0.000 0.923 429 Q CA -0.792 54.885 55.803 -0.209 0.000 0.925 429 Q CB 0.574 29.234 28.738 -0.130 0.000 1.195 429 Q HN 0.267 nan 8.270 nan 0.000 0.417 430 R N 3.991 124.429 120.500 -0.104 0.000 2.298 430 R HA 0.391 4.730 4.340 -0.001 0.000 0.310 430 R C -1.060 175.213 176.300 -0.045 0.000 1.068 430 R CA -0.089 55.973 56.100 -0.063 0.000 0.957 430 R CB 0.190 30.466 30.300 -0.040 0.000 1.003 430 R HN 0.644 nan 8.270 nan 0.000 0.454 431 L N 0.911 122.111 121.223 -0.038 0.000 2.371 431 L HA 0.775 5.115 4.340 -0.001 0.000 0.262 431 L C -0.758 176.104 176.870 -0.013 0.000 1.006 431 L CA -1.462 53.366 54.840 -0.019 0.000 0.818 431 L CB 2.118 44.171 42.059 -0.009 0.000 1.354 431 L HN 0.342 nan 8.230 nan 0.000 0.415 432 R N 1.165 121.665 120.500 -0.001 0.000 2.528 432 R HA 0.441 4.781 4.340 -0.001 0.000 0.271 432 R C -0.459 175.848 176.300 0.010 0.000 1.056 432 R CA -0.627 55.474 56.100 0.002 0.000 1.117 432 R CB 0.650 30.953 30.300 0.005 0.000 1.085 432 R HN 0.794 nan 8.270 nan 0.000 0.530 433 R N 0.140 120.645 120.500 0.008 0.000 2.590 433 R HA 0.365 4.705 4.340 -0.001 0.000 0.274 433 R C 0.392 176.708 176.300 0.027 0.000 1.061 433 R CA 0.495 56.605 56.100 0.016 0.000 1.081 433 R CB 0.233 30.539 30.300 0.010 0.000 0.984 433 R HN 0.697 nan 8.270 nan 0.000 0.448 434 G N 1.483 110.309 108.800 0.043 0.000 2.179 434 G HA2 -0.324 3.636 3.960 -0.001 0.000 0.260 434 G HA3 -0.324 3.636 3.960 -0.001 0.000 0.260 434 G C 0.120 175.050 174.900 0.051 0.000 0.977 434 G CA 0.410 45.537 45.100 0.045 0.000 0.641 434 G HN 1.037 nan 8.290 nan 0.000 0.533 435 T N 0.146 114.738 114.554 0.062 0.000 2.817 435 T HA 0.585 4.935 4.350 -0.001 0.000 0.293 435 T C -2.381 172.385 174.700 0.109 0.000 0.964 435 T CA -1.641 60.498 62.100 0.065 0.000 1.085 435 T CB 2.150 71.050 68.868 0.053 0.000 0.921 435 T HN 0.085 nan 8.240 nan 0.000 0.502 436 P HA 0.090 nan 4.420 nan 0.000 0.271 436 P C 0.550 177.913 177.300 0.105 0.000 1.226 436 P CA -0.455 62.671 63.100 0.043 0.000 0.765 436 P CB 0.242 31.928 31.700 -0.023 0.000 0.835 437 W N 4.153 125.440 121.300 -0.021 0.000 2.873 437 W HA 0.405 5.065 4.660 -0.000 0.000 0.282 437 W C -1.443 175.066 176.519 -0.018 0.000 1.118 437 W CA -0.048 57.285 57.345 -0.020 0.000 1.480 437 W CB 0.077 29.524 29.460 -0.020 0.000 0.954 437 W HN 0.138 nan 8.180 nan 0.000 0.591 438 L N 2.146 122.879 121.223 -0.817 0.000 2.470 438 L HA 0.527 4.867 4.340 -0.001 0.000 0.268 438 L C -0.735 175.828 176.870 -0.511 0.000 0.964 438 L CA -0.955 53.403 54.840 -0.803 0.000 0.839 438 L CB 2.149 43.303 42.059 -1.509 0.000 1.276 438 L HN -0.026 nan 8.230 nan 0.000 0.403 439 R N 3.928 124.239 120.500 -0.315 0.000 2.265 439 R HA 0.759 5.099 4.340 -0.001 0.000 0.328 439 R C -1.665 174.463 176.300 -0.287 0.000 0.969 439 R CA -0.534 55.393 56.100 -0.289 0.000 0.832 439 R CB 1.368 31.531 30.300 -0.229 0.000 1.139 439 R HN 0.528 nan 8.270 nan 0.000 0.457 440 V N 5.196 124.926 119.914 -0.307 0.000 2.394 440 V HA 0.264 4.383 4.120 -0.001 0.000 0.282 440 V C -0.106 175.821 176.094 -0.279 0.000 1.031 440 V CA -0.624 61.552 62.300 -0.207 0.000 0.881 440 V CB 1.329 33.062 31.823 -0.149 0.000 0.982 440 V HN 0.772 nan 8.190 nan 0.000 0.451 441 H N 6.286 125.325 119.070 -0.053 0.000 2.556 441 H HA 0.590 5.145 4.556 -0.001 0.000 0.310 441 H C 0.010 175.325 175.328 -0.022 0.000 1.057 441 H CA -0.451 55.576 56.048 -0.034 0.000 1.264 441 H CB 1.336 31.082 29.762 -0.026 0.000 1.404 441 H HN 0.721 nan 8.280 nan 0.000 0.462 442 R N 1.661 122.194 120.500 0.054 0.000 2.855 442 R HA 0.481 4.821 4.340 -0.001 0.000 0.266 442 R C -1.484 174.830 176.300 0.024 0.000 1.034 442 R CA -0.989 55.130 56.100 0.031 0.000 0.944 442 R CB 1.887 32.189 30.300 0.003 0.000 1.219 442 R HN 0.318 nan 8.270 nan 0.000 0.474 443 D N -0.259 120.151 120.400 0.018 0.000 2.362 443 D HA 0.560 5.199 4.640 -0.001 0.000 0.247 443 D C 0.179 176.482 176.300 0.006 0.000 1.050 443 D CA 0.186 54.193 54.000 0.011 0.000 0.839 443 D CB 1.983 42.790 40.800 0.011 0.000 1.283 443 D HN 0.872 nan 8.370 nan 0.000 0.477 444 G N 2.305 111.106 108.800 0.003 0.000 2.342 444 G HA2 -0.143 3.817 3.960 -0.001 0.000 0.220 444 G HA3 -0.143 3.817 3.960 -0.001 0.000 0.220 444 G C -1.977 172.922 174.900 -0.001 0.000 1.243 444 G CA -0.590 44.510 45.100 0.001 0.000 1.083 444 G HN 0.390 nan 8.290 nan 0.000 0.500 445 P HA 0.428 nan 4.420 nan 0.000 0.212 445 P C 0.861 178.158 177.300 -0.005 0.000 1.180 445 P CA 2.897 65.995 63.100 -0.002 0.000 0.906 445 P CB -0.059 31.641 31.700 -0.000 0.000 0.782 446 A N -2.394 120.423 122.820 -0.005 0.000 2.588 446 A HA 0.580 4.899 4.320 -0.001 0.000 0.309 446 A C -2.034 175.545 177.584 -0.008 0.000 1.173 446 A CA -0.493 51.539 52.037 -0.010 0.000 0.631 446 A CB -0.180 18.815 19.000 -0.009 0.000 1.364 446 A HN 0.062 nan 8.150 nan 0.000 0.526 447 L N 1.588 122.804 121.223 -0.011 0.000 2.272 447 L HA 0.581 4.921 4.340 -0.001 0.000 0.289 447 L C 0.928 177.797 176.870 -0.002 0.000 1.032 447 L CA 0.348 55.183 54.840 -0.008 0.000 0.810 447 L CB 1.147 43.195 42.059 -0.018 0.000 1.205 447 L HN 0.986 nan 8.230 nan 0.000 0.422 448 S N 2.761 118.464 115.700 0.004 0.000 2.606 448 S HA 0.292 4.762 4.470 -0.001 0.000 0.257 448 S C 1.342 175.947 174.600 0.009 0.000 1.327 448 S CA -0.005 58.199 58.200 0.007 0.000 0.984 448 S CB 0.721 63.927 63.200 0.010 0.000 0.941 448 S HN 0.811 nan 8.310 nan 0.000 0.576 449 G N 1.067 109.873 108.800 0.010 0.000 2.480 449 G HA2 -0.070 3.889 3.960 -0.001 0.000 0.216 449 G HA3 -0.070 3.889 3.960 -0.001 0.000 0.216 449 G C -1.001 173.908 174.900 0.015 0.000 1.200 449 G CA 0.865 45.972 45.100 0.012 0.000 0.782 449 G HN 0.657 nan 8.290 nan 0.000 0.554 450 P HA -0.118 nan 4.420 nan 0.000 0.215 450 P C 2.005 179.317 177.300 0.019 0.000 1.153 450 P CA 1.788 64.897 63.100 0.016 0.000 0.853 450 P CB -0.152 31.556 31.700 0.014 0.000 0.788 451 Q N -1.149 118.662 119.800 0.019 0.000 2.187 451 Q HA -0.041 4.299 4.340 -0.001 0.000 0.199 451 Q C 2.215 178.230 176.000 0.024 0.000 0.957 451 Q CA 1.443 57.258 55.803 0.021 0.000 0.857 451 Q CB -1.056 27.694 28.738 0.021 0.000 0.929 451 Q HN 0.078 nan 8.270 nan 0.000 0.453 452 S N 0.852 116.564 115.700 0.021 0.000 2.368 452 S HA -0.098 4.371 4.470 -0.001 0.000 0.225 452 S C 2.040 176.668 174.600 0.047 0.000 1.030 452 S CA 1.003 59.218 58.200 0.026 0.000 0.999 452 S CB -0.057 63.154 63.200 0.018 0.000 0.844 452 S HN 0.409 nan 8.310 nan 0.000 0.459 453 R N 0.483 121.007 120.500 0.040 0.000 2.081 453 R HA 0.024 4.364 4.340 -0.001 0.000 0.235 453 R C 2.618 178.949 176.300 0.052 0.000 1.131 453 R CA 1.249 57.375 56.100 0.044 0.000 0.960 453 R CB -0.554 29.763 30.300 0.029 0.000 0.856 453 R HN 0.492 nan 8.270 nan 0.000 0.436 454 A N 0.938 123.784 122.820 0.044 0.000 1.972 454 A HA -0.121 4.199 4.320 -0.001 0.000 0.219 454 A C 2.094 179.723 177.584 0.075 0.000 1.169 454 A CA 1.145 53.208 52.037 0.043 0.000 0.635 454 A CB -0.400 18.616 19.000 0.027 0.000 0.810 454 A HN 0.191 nan 8.150 nan 0.000 0.446 455 L N -1.297 119.985 121.223 0.098 0.000 2.131 455 L HA -0.174 4.165 4.340 -0.001 0.000 0.206 455 L C 2.813 179.876 176.870 0.322 0.000 1.087 455 L CA 1.131 56.073 54.840 0.169 0.000 0.767 455 L CB -0.508 41.607 42.059 0.094 0.000 0.917 455 L HN 0.463 nan 8.230 nan 0.000 0.441 456 Q N 0.332 120.282 119.800 0.249 0.000 2.124 456 Q HA -0.240 4.100 4.340 -0.001 0.000 0.202 456 Q C 1.888 177.948 176.000 0.100 0.000 0.977 456 Q CA 1.869 57.824 55.803 0.254 0.000 0.850 456 Q CB -0.026 28.804 28.738 0.154 0.000 0.901 456 Q HN 0.579 nan 8.270 nan 0.000 0.429 457 E N 0.133 120.373 120.200 0.066 0.000 2.418 457 E HA -0.038 4.312 4.350 -0.001 0.000 0.197 457 E C 1.526 178.121 176.600 -0.009 0.000 1.026 457 E CA 0.911 57.316 56.400 0.009 0.000 0.862 457 E CB -0.154 29.553 29.700 0.012 0.000 0.799 457 E HN 0.285 nan 8.360 nan 0.000 0.518 458 A N 0.912 123.757 122.820 0.043 0.000 1.969 458 A HA 0.038 4.357 4.320 -0.001 0.000 0.218 458 A C 1.136 178.652 177.584 -0.115 0.000 1.169 458 A CA 0.374 52.433 52.037 0.037 0.000 0.635 458 A CB -0.368 18.742 19.000 0.183 0.000 0.810 458 A HN 0.345 nan 8.150 nan 0.000 0.445 459 L N 1.452 122.458 121.223 -0.360 0.000 2.385 459 L HA 0.350 4.689 4.340 -0.001 0.000 0.281 459 L C -0.584 176.070 176.870 -0.360 0.000 1.106 459 L CA 0.152 54.592 54.840 -0.667 0.000 0.856 459 L CB 0.795 41.972 42.059 -1.469 0.000 1.186 459 L HN 0.028 nan 8.230 nan 0.000 0.453 460 V N 7.151 126.918 119.914 -0.245 0.000 2.370 460 V HA 0.404 4.524 4.120 -0.001 0.000 0.279 460 V C 0.243 176.257 176.094 -0.134 0.000 1.029 460 V CA -0.523 61.690 62.300 -0.146 0.000 0.870 460 V CB 1.133 32.910 31.823 -0.077 0.000 0.984 460 V HN 0.593 nan 8.190 nan 0.000 0.451 461 L N 4.545 125.698 121.223 -0.117 0.000 2.333 461 L HA 0.855 5.195 4.340 -0.001 0.000 0.269 461 L C 0.190 177.036 176.870 -0.040 0.000 1.010 461 L CA -0.193 54.595 54.840 -0.087 0.000 0.818 461 L CB 2.271 44.264 42.059 -0.109 0.000 1.306 461 L HN 0.805 nan 8.230 nan 0.000 0.430 462 S N -1.187 114.506 115.700 -0.012 0.000 2.685 462 S HA 0.376 4.846 4.470 -0.001 0.000 0.282 462 S C -0.267 174.340 174.600 0.012 0.000 1.159 462 S CA -0.691 57.512 58.200 0.005 0.000 0.833 462 S CB 1.914 65.129 63.200 0.026 0.000 1.151 462 S HN 0.565 nan 8.310 nan 0.000 0.485 463 D N 0.441 120.848 120.400 0.012 0.000 2.347 463 D HA 0.197 4.837 4.640 -0.001 0.000 0.213 463 D C 0.699 177.015 176.300 0.028 0.000 0.985 463 D CA 0.312 54.319 54.000 0.013 0.000 0.879 463 D CB -0.118 40.686 40.800 0.006 0.000 0.919 463 D HN 0.374 nan 8.370 nan 0.000 0.526 464 R N 0.426 120.954 120.500 0.046 0.000 2.873 464 R HA 0.252 4.591 4.340 -0.001 0.000 0.267 464 R C 0.367 176.722 176.300 0.092 0.000 1.009 464 R CA -0.061 56.080 56.100 0.067 0.000 1.152 464 R CB 0.347 30.701 30.300 0.089 0.000 1.047 464 R HN -0.014 nan 8.270 nan 0.000 0.470 465 A N 3.692 126.569 122.820 0.095 0.000 2.462 465 A HA 0.239 4.559 4.320 -0.001 0.000 0.243 465 A C -1.912 175.781 177.584 0.182 0.000 1.076 465 A CA -1.249 50.848 52.037 0.101 0.000 0.773 465 A CB -0.218 18.828 19.000 0.077 0.000 1.010 465 A HN 0.455 nan 8.150 nan 0.000 0.493 466 P HA 0.312 nan 4.420 nan 0.000 0.267 466 P C -0.856 176.520 177.300 0.128 0.000 1.200 466 P CA 0.564 63.683 63.100 0.031 0.000 0.772 466 P CB 0.143 31.821 31.700 -0.036 0.000 0.855 467 F N -1.144 118.802 119.950 -0.006 0.000 2.626 467 F HA 0.753 5.280 4.527 -0.000 0.000 0.311 467 F C -0.765 175.033 175.800 -0.004 0.000 1.088 467 F CA -1.919 56.078 58.000 -0.005 0.000 0.949 467 F CB 0.694 39.691 39.000 -0.004 0.000 1.322 467 F HN 0.362 nan 8.300 nan 0.000 0.461 468 A N 1.444 124.370 122.820 0.177 0.000 2.477 468 A HA 0.571 4.890 4.320 -0.001 0.000 0.246 468 A C 0.403 178.065 177.584 0.130 0.000 1.078 468 A CA -0.098 51.988 52.037 0.082 0.000 0.770 468 A CB -0.451 18.598 19.000 0.082 0.000 1.011 468 A HN 1.609 nan 8.150 nan 0.000 0.494 469 A N 4.714 127.546 122.820 0.020 0.000 2.526 469 A HA 0.455 4.775 4.320 -0.001 0.000 0.267 469 A C -1.974 175.668 177.584 0.096 0.000 1.095 469 A CA -0.722 51.343 52.037 0.047 0.000 0.775 469 A CB -0.898 18.099 19.000 -0.005 0.000 1.036 469 A HN 0.660 nan 8.150 nan 0.000 0.510 470 P HA 0.234 nan 4.420 nan 0.000 0.268 470 P C -0.480 176.862 177.300 0.070 0.000 1.205 470 P CA 0.067 63.232 63.100 0.109 0.000 0.771 470 P CB 0.438 32.213 31.700 0.124 0.000 0.858 471 L N 4.919 126.170 121.223 0.048 0.000 2.357 471 L HA 0.371 4.711 4.340 -0.001 0.000 0.273 471 L C -1.689 175.205 176.870 0.040 0.000 1.080 471 L CA -2.173 52.686 54.840 0.031 0.000 0.803 471 L CB -0.098 41.968 42.059 0.011 0.000 1.174 471 L HN 0.281 nan 8.230 nan 0.000 0.443 472 P HA -0.175 nan 4.420 nan 0.000 0.265 472 P C -0.483 176.870 177.300 0.087 0.000 1.151 472 P CA 0.549 63.685 63.100 0.060 0.000 0.755 472 P CB 0.177 31.897 31.700 0.034 0.000 0.756 473 F N 1.804 121.728 119.950 -0.043 0.000 2.485 473 F HA 0.293 4.820 4.527 -0.001 0.000 0.327 473 F C 0.939 176.743 175.800 0.006 0.000 1.203 473 F CA 0.914 58.905 58.000 -0.015 0.000 1.295 473 F CB 0.656 39.632 39.000 -0.040 0.000 1.191 473 F HN 0.357 nan 8.300 nan 0.000 0.588 474 A N 3.352 126.180 122.820 0.013 0.000 3.426 474 A HA 0.216 4.535 4.320 -0.001 0.000 0.222 474 A C -0.486 177.121 177.584 0.038 0.000 1.090 474 A CA -0.526 51.538 52.037 0.046 0.000 1.026 474 A CB -0.312 18.674 19.000 -0.022 0.000 1.342 474 A HN 0.716 nan 8.150 nan 0.000 0.695 475 E N 0.155 120.459 120.200 0.175 0.000 2.374 475 E HA 0.642 4.991 4.350 -0.001 0.000 0.260 475 E C -1.066 175.604 176.600 0.116 0.000 1.101 475 E CA -0.193 56.295 56.400 0.146 0.000 0.907 475 E CB 0.825 30.687 29.700 0.270 0.000 1.014 475 E HN 0.529 nan 8.360 nan 0.000 0.427 476 L N 2.736 124.004 121.223 0.075 0.000 2.431 476 L HA 0.403 4.743 4.340 -0.001 0.000 0.266 476 L C -1.322 175.592 176.870 0.073 0.000 0.978 476 L CA -0.871 54.012 54.840 0.072 0.000 0.822 476 L CB 2.213 44.295 42.059 0.039 0.000 1.310 476 L HN 0.304 nan 8.230 nan 0.000 0.409 477 V N 3.083 123.049 119.914 0.087 0.000 2.555 477 V HA 0.611 4.730 4.120 -0.001 0.000 0.302 477 V C -0.237 175.909 176.094 0.087 0.000 1.038 477 V CA -0.665 61.681 62.300 0.078 0.000 0.887 477 V CB 1.730 33.596 31.823 0.071 0.000 0.991 477 V HN 0.507 nan 8.190 nan 0.000 0.434 478 L N 3.920 125.189 121.223 0.077 0.000 2.333 478 L HA 0.674 5.013 4.340 -0.001 0.000 0.263 478 L C -1.770 175.136 176.870 0.060 0.000 1.014 478 L CA -1.598 53.291 54.840 0.082 0.000 0.820 478 L CB 2.124 44.240 42.059 0.096 0.000 1.352 478 L HN 0.558 nan 8.230 nan 0.000 0.421 479 P HA 0.000 nan 4.420 nan 0.000 0.216 479 P CA 0.000 63.124 63.100 0.041 0.000 0.800 479 P CB 0.000 31.722 31.700 0.036 0.000 0.726