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 2wxz_1_C DATA FIRST_RESID 6 DATA SEQUENCE HPFHLLYYSK STcAQXXXXX XXTLPEPTFE PVPIQAKTSP VDEKTLRDKL DATA SEQUENCE VLATEKLEAE DRQRAAQVAM IANFMGFRMY KMLSEARXVA SGAVLSPPAL DATA SEQUENCE FGTLVSFYLG SLDPTASQLQ VLLGVPVKEG DcTSRLDGHK VLTALQAVQG DATA SEQUENCE LLVTXXXXXX XXPLLQSTVV GLFTAPGLRL KQPFVESLGP FTPAIFPRSL DATA SEQUENCE DLSTDPVLAA QKINRFVQAV TGWKMNLPLE GVSTDSTLFF NTYVHFQGKM DATA SEQUENCE RGFSQLTGLH EFWVDNSTSV SVPMLSGTGN FQHWSDAQNN FSVTRVPLGE DATA SEQUENCE SVTLLLIQPQ CASDLDRVEV LVFQHDFLTW IKNPPPRAIR LTLPQLEIRG DATA SEQUENCE SYNLQDLLAQ AKLSTLLGAE ANLGKMGDTN PRVGEVLNSI LLELQAGXXX DATA SEQUENCE XXXXXXXXXX XXXVLDVTLS SPFLFAIYER DSGALHFLGR VDNPQ 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 6 H HA 0.000 nan 4.556 nan 0.000 0.296 6 H C 0.000 174.860 175.328 -0.780 0.000 0.993 6 H CA 0.000 55.811 56.048 -0.396 0.000 1.023 6 H CB 0.000 29.619 29.762 -0.239 0.000 1.292 7 P HA -0.119 nan 4.420 nan 0.000 0.259 7 P C -0.350 176.551 177.300 -0.665 0.000 1.155 7 P CA 1.062 63.816 63.100 -0.578 0.000 0.759 7 P CB 0.166 31.570 31.700 -0.494 0.000 0.753 8 F N 0.163 120.020 119.950 -0.154 0.000 2.772 8 F HA 0.216 4.743 4.527 -0.001 0.000 0.302 8 F C 1.825 177.587 175.800 -0.063 0.000 1.136 8 F CA -0.121 57.788 58.000 -0.152 0.000 1.322 8 F CB -0.640 38.184 39.000 -0.293 0.000 0.967 8 F HN 0.470 nan 8.300 nan 0.000 0.513 9 H N 0.303 119.526 119.070 0.255 0.000 2.394 9 H HA -0.194 4.362 4.556 -0.000 0.000 0.297 9 H C 1.914 177.370 175.328 0.212 0.000 1.113 9 H CA 1.752 57.984 56.048 0.307 0.000 1.277 9 H CB -0.023 29.842 29.762 0.173 0.000 1.370 9 H HN 0.317 nan 8.280 nan 0.000 0.506 10 L N 0.266 121.623 121.223 0.224 0.000 2.465 10 L HA -0.087 4.253 4.340 -0.001 0.000 0.224 10 L C 1.654 178.561 176.870 0.062 0.000 1.145 10 L CA 0.340 55.258 54.840 0.130 0.000 0.834 10 L CB -0.018 42.091 42.059 0.083 0.000 0.944 10 L HN 0.306 nan 8.230 nan 0.000 0.451 11 L N -2.133 119.082 121.223 -0.014 0.000 2.249 11 L HA 0.029 4.369 4.340 -0.001 0.000 0.207 11 L C 0.702 177.451 176.870 -0.201 0.000 1.090 11 L CA -0.040 54.709 54.840 -0.153 0.000 0.802 11 L CB -0.245 41.651 42.059 -0.272 0.000 0.947 11 L HN 0.056 nan 8.230 nan 0.000 0.453 12 Y N -0.944 119.368 120.300 0.020 0.000 2.385 12 Y HA 0.047 4.596 4.550 -0.001 0.000 0.346 12 Y C 0.260 176.167 175.900 0.011 0.000 1.270 12 Y CA -0.699 57.401 58.100 -0.001 0.000 1.472 12 Y CB -0.144 38.377 38.460 0.102 0.000 1.354 12 Y HN -0.165 nan 8.280 nan 0.000 0.611 13 Y N 0.496 120.960 120.300 0.274 0.000 2.620 13 Y HA 0.088 4.638 4.550 0.000 0.000 0.330 13 Y C 0.779 176.770 175.900 0.152 0.000 1.186 13 Y CA -0.501 57.704 58.100 0.175 0.000 1.467 13 Y CB 0.120 38.665 38.460 0.142 0.000 1.262 13 Y HN 0.513 nan 8.280 nan 0.000 0.550 14 S N 2.603 118.479 115.700 0.294 0.000 2.601 14 S HA 0.254 4.724 4.470 -0.001 0.000 0.271 14 S C 0.945 175.626 174.600 0.135 0.000 1.305 14 S CA -1.004 57.304 58.200 0.180 0.000 1.022 14 S CB 1.407 64.690 63.200 0.138 0.000 0.940 14 S HN 0.718 nan 8.310 nan 0.000 0.525 15 K N 1.161 121.613 120.400 0.086 0.000 2.160 15 K HA -0.142 4.178 4.320 -0.001 0.000 0.206 15 K C 2.384 179.007 176.600 0.038 0.000 1.047 15 K CA 1.721 58.039 56.287 0.052 0.000 0.930 15 K CB -0.467 32.052 32.500 0.032 0.000 0.720 15 K HN 0.825 nan 8.250 nan 0.000 0.450 16 S N 0.503 116.229 115.700 0.045 0.000 2.371 16 S HA -0.140 4.329 4.470 -0.001 0.000 0.224 16 S C 2.268 176.885 174.600 0.029 0.000 1.029 16 S CA 1.656 59.875 58.200 0.033 0.000 0.978 16 S CB -0.784 62.438 63.200 0.036 0.000 0.833 16 S HN 0.448 nan 8.310 nan 0.000 0.466 17 T N -1.288 113.298 114.554 0.054 0.000 2.896 17 T HA 0.010 4.359 4.350 -0.001 0.000 0.263 17 T C 1.962 176.638 174.700 -0.040 0.000 1.050 17 T CA 0.951 63.076 62.100 0.042 0.000 1.140 17 T CB -1.128 67.819 68.868 0.133 0.000 0.877 17 T HN 0.439 nan 8.240 nan 0.000 0.457 18 c N 1.501 120.081 118.600 -0.033 0.000 2.448 18 c HA 0.494 5.064 4.570 -0.001 0.000 0.280 18 c C 3.241 177.284 174.090 -0.080 0.000 1.398 18 c CA 0.177 56.431 56.329 -0.124 0.000 1.774 18 c CB -1.679 40.811 42.510 -0.033 0.000 1.888 18 c HN 0.723 nan 8.230 nan 0.000 0.519 19 A N -0.313 122.486 122.820 -0.035 0.000 1.902 19 A HA -0.118 4.202 4.320 -0.001 0.000 0.217 19 A C 1.473 179.033 177.584 -0.039 0.000 1.181 19 A CA 1.099 53.119 52.037 -0.027 0.000 0.623 19 A CB -0.429 18.565 19.000 -0.010 0.000 0.818 19 A HN 0.787 nan 8.150 nan 0.000 0.443 29 L N 3.250 124.471 121.223 -0.004 0.000 2.367 29 L HA 0.407 4.746 4.340 -0.001 0.000 0.275 29 L C -1.661 175.211 176.870 0.003 0.000 1.129 29 L CA -1.696 53.144 54.840 0.000 0.000 0.839 29 L CB 0.086 42.146 42.059 0.001 0.000 1.133 29 L HN 0.417 nan 8.230 nan 0.000 0.453 30 P HA 0.083 nan 4.420 nan 0.000 0.276 30 P C -0.712 176.596 177.300 0.014 0.000 1.253 30 P CA -0.425 62.679 63.100 0.007 0.000 0.766 30 P CB 0.567 32.270 31.700 0.005 0.000 0.845 31 E N 5.242 125.453 120.200 0.018 0.000 2.406 31 E HA 0.067 4.417 4.350 -0.001 0.000 0.258 31 E C -1.775 174.850 176.600 0.042 0.000 1.043 31 E CA -1.127 55.292 56.400 0.032 0.000 0.929 31 E CB -0.222 29.501 29.700 0.038 0.000 0.969 31 E HN 0.426 nan 8.360 nan 0.000 0.462 32 P HA 0.050 nan 4.420 nan 0.000 0.281 32 P C -0.139 177.226 177.300 0.109 0.000 1.252 32 P CA -0.243 62.894 63.100 0.061 0.000 0.778 32 P CB 0.865 32.593 31.700 0.047 0.000 0.895 33 T N 0.454 115.078 114.554 0.116 0.000 2.922 33 T HA 0.824 5.174 4.350 -0.001 0.000 0.281 33 T C -0.383 174.475 174.700 0.263 0.000 1.005 33 T CA -0.608 61.593 62.100 0.168 0.000 0.982 33 T CB 1.038 69.938 68.868 0.054 0.000 1.158 33 T HN 0.407 nan 8.240 nan 0.000 0.566 34 F N -1.867 118.086 119.950 0.006 0.000 2.693 34 F HA 0.753 5.279 4.527 -0.001 0.000 0.309 34 F C -1.169 174.630 175.800 -0.001 0.000 1.129 34 F CA -1.287 56.713 58.000 0.001 0.000 0.948 34 F CB 1.469 40.469 39.000 -0.000 0.000 1.315 34 F HN 0.800 nan 8.300 nan 0.000 0.447 35 E N 2.958 123.104 120.200 -0.091 0.000 2.145 35 E HA 0.509 4.859 4.350 -0.001 0.000 0.270 35 E C -2.639 173.921 176.600 -0.066 0.000 0.906 35 E CA -2.294 53.988 56.400 -0.198 0.000 0.761 35 E CB 1.395 31.047 29.700 -0.081 0.000 1.116 35 E HN 0.445 nan 8.360 nan 0.000 0.408 36 P HA -0.096 nan 4.420 nan 0.000 0.266 36 P C -0.526 176.780 177.300 0.010 0.000 1.193 36 P CA -0.172 62.934 63.100 0.011 0.000 0.770 36 P CB 0.377 32.038 31.700 -0.066 0.000 0.836 37 V N 0.780 120.714 119.914 0.033 0.000 3.185 37 V HA 0.323 4.442 4.120 -0.001 0.000 0.305 37 V C -2.335 173.741 176.094 -0.030 0.000 1.090 37 V CA -2.061 60.243 62.300 0.007 0.000 1.107 37 V CB -0.556 31.279 31.823 0.019 0.000 1.061 37 V HN 0.388 nan 8.190 nan 0.000 0.480 38 P HA 0.181 nan 4.420 nan 0.000 0.266 38 P C 0.882 178.137 177.300 -0.075 0.000 1.195 38 P CA 0.158 63.231 63.100 -0.045 0.000 0.768 38 P CB 0.429 32.112 31.700 -0.029 0.000 0.838 39 I N 2.282 122.792 120.570 -0.100 0.000 2.530 39 I HA -0.330 3.840 4.170 -0.001 0.000 0.257 39 I C 1.416 177.474 176.117 -0.099 0.000 1.179 39 I CA 1.691 62.886 61.300 -0.176 0.000 1.440 39 I CB 0.114 38.046 38.000 -0.114 0.000 1.087 39 I HN 0.379 nan 8.210 nan 0.000 0.440 40 Q N 1.089 120.866 119.800 -0.038 0.000 2.378 40 Q HA 0.168 4.508 4.340 -0.001 0.000 0.205 40 Q C 0.950 176.964 176.000 0.024 0.000 0.954 40 Q CA 0.641 56.447 55.803 0.005 0.000 0.901 40 Q CB -0.274 28.462 28.738 -0.003 0.000 0.981 40 Q HN 0.559 nan 8.270 nan 0.000 0.483 41 A N 1.604 124.430 122.820 0.010 0.000 2.567 41 A HA -0.037 4.283 4.320 -0.001 0.000 0.240 41 A C 0.007 177.632 177.584 0.069 0.000 1.053 41 A CA 0.007 52.062 52.037 0.030 0.000 0.755 41 A CB -0.008 19.004 19.000 0.021 0.000 0.978 41 A HN 0.183 nan 8.150 nan 0.000 0.507 42 K N 1.699 122.133 120.400 0.056 0.000 2.451 42 K HA 0.220 4.540 4.320 -0.001 0.000 0.280 42 K C -0.570 176.080 176.600 0.083 0.000 1.020 42 K CA 0.693 57.016 56.287 0.059 0.000 1.008 42 K CB 0.170 32.690 32.500 0.033 0.000 0.917 42 K HN 0.724 nan 8.250 nan 0.000 0.478 43 T N 2.229 116.839 114.554 0.094 0.000 2.916 43 T HA 0.161 4.511 4.350 -0.001 0.000 0.298 43 T C -0.871 173.855 174.700 0.044 0.000 1.031 43 T CA -0.725 61.447 62.100 0.120 0.000 0.993 43 T CB 1.676 70.698 68.868 0.258 0.000 1.045 43 T HN 0.481 nan 8.240 nan 0.000 0.454 44 S N 4.304 120.040 115.700 0.059 0.000 2.546 44 S HA 0.188 4.657 4.470 -0.001 0.000 0.290 44 S C -1.972 172.615 174.600 -0.023 0.000 1.290 44 S CA -0.692 57.521 58.200 0.022 0.000 1.069 44 S CB -0.112 63.114 63.200 0.044 0.000 0.846 44 S HN 0.462 nan 8.310 nan 0.000 0.495 45 P HA 0.132 nan 4.420 nan 0.000 0.270 45 P C -0.749 176.497 177.300 -0.090 0.000 1.223 45 P CA -0.477 62.536 63.100 -0.145 0.000 0.785 45 P CB 0.334 31.954 31.700 -0.132 0.000 0.923 46 V N 1.626 121.453 119.914 -0.144 0.000 2.583 46 V HA 0.091 4.210 4.120 -0.001 0.000 0.287 46 V C 0.493 176.578 176.094 -0.015 0.000 1.051 46 V CA 0.144 62.417 62.300 -0.044 0.000 1.010 46 V CB 0.669 32.442 31.823 -0.084 0.000 0.988 46 V HN 0.502 nan 8.190 nan 0.000 0.478 47 D N 3.225 123.641 120.400 0.028 0.000 2.428 47 D HA 0.194 4.834 4.640 -0.001 0.000 0.221 47 D C 1.060 177.400 176.300 0.067 0.000 1.123 47 D CA -0.203 53.820 54.000 0.038 0.000 0.869 47 D CB 1.060 41.876 40.800 0.027 0.000 1.032 47 D HN 0.625 nan 8.370 nan 0.000 0.506 48 E N 2.603 122.863 120.200 0.100 0.000 2.204 48 E HA -0.180 4.170 4.350 -0.001 0.000 0.194 48 E C 1.446 178.089 176.600 0.070 0.000 0.989 48 E CA 0.532 57.009 56.400 0.129 0.000 0.824 48 E CB 0.316 30.135 29.700 0.199 0.000 0.756 48 E HN 0.456 nan 8.360 nan 0.000 0.477 49 K N 0.714 121.143 120.400 0.049 0.000 2.097 49 K HA -0.130 4.190 4.320 -0.001 0.000 0.206 49 K C 1.956 178.571 176.600 0.024 0.000 1.049 49 K CA 1.552 57.855 56.287 0.026 0.000 0.933 49 K CB 0.043 32.554 32.500 0.019 0.000 0.717 49 K HN 0.004 nan 8.250 nan 0.000 0.442 50 T N 1.645 116.217 114.554 0.030 0.000 2.867 50 T HA -0.066 4.283 4.350 -0.001 0.000 0.268 50 T C 1.734 176.451 174.700 0.029 0.000 1.057 50 T CA 0.957 63.072 62.100 0.025 0.000 1.136 50 T CB -0.037 68.845 68.868 0.024 0.000 0.874 50 T HN 0.162 nan 8.240 nan 0.000 0.466 51 L N 0.173 121.422 121.223 0.043 0.000 2.093 51 L HA 0.024 4.364 4.340 -0.001 0.000 0.208 51 L C 2.924 179.816 176.870 0.036 0.000 1.085 51 L CA 1.085 55.954 54.840 0.048 0.000 0.755 51 L CB -0.415 41.691 42.059 0.079 0.000 0.904 51 L HN 0.105 nan 8.230 nan 0.000 0.435 52 R N 0.231 120.747 120.500 0.027 0.000 2.062 52 R HA -0.154 4.186 4.340 -0.001 0.000 0.231 52 R C 1.932 178.240 176.300 0.013 0.000 1.136 52 R CA 1.737 57.845 56.100 0.013 0.000 0.948 52 R CB -0.185 30.113 30.300 -0.003 0.000 0.845 52 R HN 0.309 nan 8.270 nan 0.000 0.430 53 D N 0.633 121.041 120.400 0.012 0.000 2.126 53 D HA -0.207 4.433 4.640 -0.001 0.000 0.190 53 D C 1.823 178.131 176.300 0.013 0.000 1.001 53 D CA 1.554 55.561 54.000 0.011 0.000 0.841 53 D CB -0.113 40.693 40.800 0.011 0.000 0.949 53 D HN 0.270 nan 8.370 nan 0.000 0.446 54 K N 0.144 120.554 120.400 0.016 0.000 2.025 54 K HA -0.034 4.286 4.320 -0.001 0.000 0.207 54 K C 2.450 179.062 176.600 0.019 0.000 1.049 54 K CA 0.410 56.707 56.287 0.016 0.000 0.933 54 K CB -0.281 32.229 32.500 0.016 0.000 0.714 54 K HN 0.121 nan 8.250 nan 0.000 0.438 55 L N 0.930 122.167 121.223 0.023 0.000 2.043 55 L HA -0.247 4.093 4.340 -0.001 0.000 0.212 55 L C 2.372 179.256 176.870 0.023 0.000 1.075 55 L CA 1.109 55.965 54.840 0.027 0.000 0.752 55 L CB -0.424 41.655 42.059 0.033 0.000 0.891 55 L HN 0.041 nan 8.230 nan 0.000 0.432 56 V N -0.105 119.819 119.914 0.017 0.000 2.237 56 V HA -0.322 3.798 4.120 -0.001 0.000 0.245 56 V C 2.373 178.476 176.094 0.015 0.000 1.046 56 V CA 1.759 64.067 62.300 0.014 0.000 1.007 56 V CB -0.403 31.426 31.823 0.010 0.000 0.638 56 V HN 0.336 nan 8.190 nan 0.000 0.445 57 L N 0.071 121.303 121.223 0.014 0.000 2.089 57 L HA -0.265 4.074 4.340 -0.001 0.000 0.213 57 L C 2.660 179.540 176.870 0.017 0.000 1.079 57 L CA 1.710 56.559 54.840 0.014 0.000 0.758 57 L CB -0.690 41.377 42.059 0.014 0.000 0.891 57 L HN 0.405 nan 8.230 nan 0.000 0.433 58 A N -0.324 122.508 122.820 0.019 0.000 1.933 58 A HA -0.243 4.077 4.320 -0.001 0.000 0.218 58 A C 2.440 180.037 177.584 0.022 0.000 1.175 58 A CA 2.322 54.372 52.037 0.022 0.000 0.628 58 A CB -0.928 18.087 19.000 0.025 0.000 0.814 58 A HN 0.554 nan 8.150 nan 0.000 0.444 59 T N -2.012 112.555 114.554 0.021 0.000 2.770 59 T HA -0.109 4.241 4.350 -0.001 0.000 0.263 59 T C 1.600 176.310 174.700 0.017 0.000 1.039 59 T CA 1.434 63.546 62.100 0.020 0.000 1.142 59 T CB -0.498 68.382 68.868 0.019 0.000 0.868 59 T HN 0.585 nan 8.240 nan 0.000 0.435 60 E N 1.701 121.911 120.200 0.016 0.000 2.209 60 E HA -0.110 4.239 4.350 -0.001 0.000 0.196 60 E C 1.819 178.428 176.600 0.015 0.000 0.993 60 E CA 1.086 57.495 56.400 0.014 0.000 0.819 60 E CB -0.099 29.609 29.700 0.013 0.000 0.745 60 E HN 0.771 nan 8.360 nan 0.000 0.477 61 K N 0.665 121.074 120.400 0.016 0.000 2.493 61 K HA 0.166 4.486 4.320 -0.001 0.000 0.207 61 K C -0.127 176.484 176.600 0.018 0.000 1.033 61 K CA -0.125 56.172 56.287 0.017 0.000 1.161 61 K CB 0.165 32.676 32.500 0.018 0.000 0.873 61 K HN 0.008 nan 8.250 nan 0.000 0.491 62 L N 2.294 123.527 121.223 0.018 0.000 2.331 62 L HA 0.212 4.551 4.340 -0.001 0.000 0.278 62 L C 0.411 177.291 176.870 0.017 0.000 1.106 62 L CA -0.471 54.380 54.840 0.018 0.000 0.824 62 L CB 0.965 43.034 42.059 0.017 0.000 1.142 62 L HN 0.240 nan 8.230 nan 0.000 0.443 63 E N 1.831 122.042 120.200 0.019 0.000 2.312 63 E HA 0.314 4.664 4.350 -0.001 0.000 0.259 63 E C 0.739 177.349 176.600 0.016 0.000 1.122 63 E CA 0.391 56.801 56.400 0.018 0.000 0.922 63 E CB 1.545 31.257 29.700 0.020 0.000 1.109 63 E HN 0.550 nan 8.360 nan 0.000 0.442 64 A N 2.264 125.093 122.820 0.015 0.000 1.903 64 A HA -0.273 4.047 4.320 -0.001 0.000 0.219 64 A C 1.850 179.443 177.584 0.015 0.000 1.191 64 A CA 2.150 54.195 52.037 0.013 0.000 0.638 64 A CB -0.813 18.195 19.000 0.013 0.000 0.823 64 A HN 0.794 nan 8.150 nan 0.000 0.451 65 E N -0.344 119.868 120.200 0.019 0.000 2.070 65 E HA -0.230 4.119 4.350 -0.001 0.000 0.197 65 E C 1.557 178.170 176.600 0.022 0.000 1.004 65 E CA 1.498 57.912 56.400 0.024 0.000 0.805 65 E CB -0.303 29.415 29.700 0.030 0.000 0.744 65 E HN 0.615 nan 8.360 nan 0.000 0.451 66 D N -0.045 120.367 120.400 0.021 0.000 2.144 66 D HA -0.124 4.515 4.640 -0.001 0.000 0.199 66 D C 1.991 178.298 176.300 0.011 0.000 0.984 66 D CA 0.805 54.816 54.000 0.019 0.000 0.834 66 D CB -0.197 40.616 40.800 0.020 0.000 0.955 66 D HN 0.121 nan 8.370 nan 0.000 0.465 67 R N 0.423 120.928 120.500 0.009 0.000 2.073 67 R HA -0.037 4.303 4.340 -0.001 0.000 0.229 67 R C 2.430 178.727 176.300 -0.005 0.000 1.120 67 R CA 0.784 56.885 56.100 0.002 0.000 0.967 67 R CB -0.078 30.224 30.300 0.003 0.000 0.862 67 R HN 0.279 nan 8.270 nan 0.000 0.436 68 Q N -0.049 119.751 119.800 -0.001 0.000 2.096 68 Q HA -0.194 4.145 4.340 -0.001 0.000 0.204 68 Q C 2.183 178.176 176.000 -0.010 0.000 0.982 68 Q CA 1.406 57.206 55.803 -0.005 0.000 0.850 68 Q CB -0.140 28.602 28.738 0.006 0.000 0.901 68 Q HN 0.246 nan 8.270 nan 0.000 0.422 69 R N 0.094 120.595 120.500 0.000 0.000 2.073 69 R HA -0.146 4.194 4.340 -0.001 0.000 0.234 69 R C 2.235 178.523 176.300 -0.021 0.000 1.134 69 R CA 1.258 57.357 56.100 -0.002 0.000 0.952 69 R CB -0.278 30.028 30.300 0.011 0.000 0.850 69 R HN 0.257 nan 8.270 nan 0.000 0.433 70 A N 0.552 123.359 122.820 -0.020 0.000 1.972 70 A HA -0.129 4.191 4.320 -0.001 0.000 0.219 70 A C 2.273 179.818 177.584 -0.065 0.000 1.169 70 A CA 1.677 53.694 52.037 -0.034 0.000 0.635 70 A CB -0.574 18.416 19.000 -0.017 0.000 0.810 70 A HN 0.500 nan 8.150 nan 0.000 0.446 71 A N -0.600 122.186 122.820 -0.056 0.000 1.902 71 A HA -0.223 4.096 4.320 -0.001 0.000 0.217 71 A C 2.129 179.653 177.584 -0.100 0.000 1.181 71 A CA 1.703 53.697 52.037 -0.072 0.000 0.623 71 A CB -0.547 18.422 19.000 -0.052 0.000 0.818 71 A HN 0.661 nan 8.150 nan 0.000 0.443 72 Q N -0.984 118.764 119.800 -0.086 0.000 2.046 72 Q HA -0.088 4.252 4.340 -0.001 0.000 0.200 72 Q C 2.135 178.061 176.000 -0.122 0.000 0.975 72 Q CA 1.436 57.188 55.803 -0.085 0.000 0.836 72 Q CB -0.419 28.299 28.738 -0.033 0.000 0.896 72 Q HN 0.480 nan 8.270 nan 0.000 0.428 73 V N 0.723 120.553 119.914 -0.140 0.000 2.490 73 V HA -0.229 3.891 4.120 -0.001 0.000 0.250 73 V C 2.018 177.856 176.094 -0.427 0.000 1.061 73 V CA 1.823 63.973 62.300 -0.250 0.000 1.064 73 V CB -0.513 31.232 31.823 -0.129 0.000 0.670 73 V HN 0.410 nan 8.190 nan 0.000 0.461 74 A N -0.449 122.190 122.820 -0.302 0.000 1.877 74 A HA -0.231 4.088 4.320 -0.001 0.000 0.216 74 A C 2.231 179.609 177.584 -0.344 0.000 1.186 74 A CA 2.286 54.133 52.037 -0.318 0.000 0.620 74 A CB -0.555 18.316 19.000 -0.215 0.000 0.822 74 A HN 0.540 nan 8.150 nan 0.000 0.443 75 M N -0.673 118.735 119.600 -0.319 0.000 2.088 75 M HA -0.212 4.267 4.480 -0.001 0.000 0.256 75 M C 2.175 178.089 176.300 -0.645 0.000 1.071 75 M CA 1.950 56.971 55.300 -0.464 0.000 1.097 75 M CB -0.653 31.675 32.600 -0.453 0.000 1.315 75 M HN 0.444 nan 8.290 nan 0.000 0.406 76 I N -0.250 120.000 120.570 -0.533 0.000 2.163 76 I HA -0.242 3.927 4.170 -0.001 0.000 0.240 76 I C 2.740 178.556 176.117 -0.501 0.000 1.081 76 I CA 1.173 62.193 61.300 -0.467 0.000 1.353 76 I CB -0.692 37.053 38.000 -0.425 0.000 1.054 76 I HN 0.273 nan 8.210 nan 0.000 0.407 77 A N 1.247 123.541 122.820 -0.878 0.000 1.892 77 A HA -0.280 4.040 4.320 -0.001 0.000 0.218 77 A C 2.035 179.395 177.584 -0.374 0.000 1.188 77 A CA 2.475 54.084 52.037 -0.714 0.000 0.631 77 A CB -0.890 17.680 19.000 -0.717 0.000 0.822 77 A HN 0.434 nan 8.150 nan 0.000 0.447 78 N N -0.567 117.924 118.700 -0.347 0.000 2.043 78 N HA -0.120 4.620 4.740 -0.001 0.000 0.193 78 N C 1.499 176.876 175.510 -0.221 0.000 1.037 78 N CA 1.767 54.605 53.050 -0.352 0.000 0.851 78 N CB -0.679 37.749 38.487 -0.097 0.000 1.027 78 N HN 0.644 nan 8.380 nan 0.000 0.422 79 F N 0.092 119.958 119.950 -0.140 0.000 2.075 79 F HA -0.203 4.324 4.527 -0.000 0.000 0.297 79 F C 2.398 178.212 175.800 0.023 0.000 1.113 79 F CA 0.601 58.650 58.000 0.081 0.000 1.218 79 F CB -0.204 38.841 39.000 0.074 0.000 0.984 79 F HN 0.046 nan 8.300 nan 0.000 0.472 80 M N 1.184 120.878 119.600 0.157 0.000 2.108 80 M HA -0.103 4.376 4.480 -0.001 0.000 0.261 80 M C 2.169 178.487 176.300 0.031 0.000 1.066 80 M CA 2.038 57.398 55.300 0.100 0.000 1.107 80 M CB -1.346 31.338 32.600 0.140 0.000 1.356 80 M HN 0.047 nan 8.290 nan 0.000 0.406 81 G N -1.081 107.661 108.800 -0.097 0.000 2.422 81 G HA2 -0.199 3.760 3.960 -0.001 0.000 0.218 81 G HA3 -0.199 3.760 3.960 -0.001 0.000 0.218 81 G C 1.221 176.043 174.900 -0.130 0.000 1.146 81 G CA 0.834 45.826 45.100 -0.181 0.000 0.769 81 G HN 0.481 nan 8.290 nan 0.000 0.547 82 F N 0.624 120.576 119.950 0.004 0.000 2.146 82 F HA 0.107 4.634 4.527 -0.001 0.000 0.298 82 F C 2.664 178.476 175.800 0.021 0.000 1.096 82 F CA 1.016 59.012 58.000 -0.006 0.000 1.275 82 F CB -0.567 38.410 39.000 -0.039 0.000 1.008 82 F HN 0.020 nan 8.300 nan 0.000 0.480 83 R N -0.066 120.551 120.500 0.196 0.000 2.096 83 R HA -0.116 4.224 4.340 -0.001 0.000 0.235 83 R C 2.079 178.419 176.300 0.067 0.000 1.127 83 R CA 1.347 57.512 56.100 0.108 0.000 0.968 83 R CB -0.368 29.981 30.300 0.082 0.000 0.861 83 R HN 0.078 nan 8.270 nan 0.000 0.440 84 M N -1.282 118.351 119.600 0.055 0.000 2.156 84 M HA -0.112 4.368 4.480 -0.001 0.000 0.264 84 M C 1.862 178.144 176.300 -0.030 0.000 1.067 84 M CA 1.339 56.642 55.300 0.005 0.000 1.131 84 M CB -0.914 31.690 32.600 0.006 0.000 1.368 84 M HN 0.159 nan 8.290 nan 0.000 0.416 85 Y N 1.364 121.601 120.300 -0.105 0.000 2.274 85 Y HA -0.227 4.323 4.550 -0.001 0.000 0.290 85 Y C 2.546 178.396 175.900 -0.084 0.000 1.145 85 Y CA 1.797 59.817 58.100 -0.133 0.000 1.203 85 Y CB -0.150 38.237 38.460 -0.122 0.000 0.984 85 Y HN 0.181 nan 8.280 nan 0.000 0.533 86 K N -0.523 119.918 120.400 0.068 0.000 2.026 86 K HA -0.200 4.120 4.320 -0.001 0.000 0.208 86 K C 1.848 178.396 176.600 -0.087 0.000 1.048 86 K CA 1.755 58.041 56.287 -0.002 0.000 0.929 86 K CB -0.096 32.422 32.500 0.030 0.000 0.713 86 K HN 0.269 nan 8.250 nan 0.000 0.439 87 M N 0.611 120.159 119.600 -0.087 0.000 2.132 87 M HA -0.140 4.339 4.480 -0.001 0.000 0.263 87 M C 2.300 178.502 176.300 -0.164 0.000 1.065 87 M CA 1.041 56.281 55.300 -0.100 0.000 1.122 87 M CB -1.082 31.474 32.600 -0.074 0.000 1.365 87 M HN 0.191 nan 8.290 nan 0.000 0.411 88 L N 0.415 121.482 121.223 -0.260 0.000 2.083 88 L HA -0.104 4.235 4.340 -0.001 0.000 0.209 88 L C 2.421 179.078 176.870 -0.354 0.000 1.083 88 L CA 1.677 56.306 54.840 -0.352 0.000 0.752 88 L CB -0.729 40.995 42.059 -0.558 0.000 0.899 88 L HN 0.200 nan 8.230 nan 0.000 0.433 89 S N -0.485 114.970 115.700 -0.408 0.000 2.368 89 S HA -0.193 4.277 4.470 -0.001 0.000 0.225 89 S C 1.766 176.261 174.600 -0.175 0.000 1.030 89 S CA 1.561 59.576 58.200 -0.308 0.000 0.999 89 S CB -0.293 62.752 63.200 -0.259 0.000 0.844 89 S HN 0.572 nan 8.310 nan 0.000 0.459 90 E N 1.217 121.332 120.200 -0.143 0.000 2.106 90 E HA -0.032 4.318 4.350 -0.001 0.000 0.192 90 E C 2.335 178.885 176.600 -0.084 0.000 0.984 90 E CA 0.870 57.214 56.400 -0.094 0.000 0.806 90 E CB -0.228 29.427 29.700 -0.075 0.000 0.750 90 E HN 0.504 nan 8.360 nan 0.000 0.458 91 A N 1.111 123.873 122.820 -0.097 0.000 1.902 91 A HA -0.127 4.192 4.320 -0.001 0.000 0.217 91 A C 0.773 178.318 177.584 -0.065 0.000 1.181 91 A CA 0.956 52.949 52.037 -0.074 0.000 0.623 91 A CB -0.293 18.662 19.000 -0.075 0.000 0.818 91 A HN 0.150 nan 8.150 nan 0.000 0.443 95 A N 0.507 123.318 122.820 -0.014 0.000 1.948 95 A HA -0.192 4.128 4.320 -0.001 0.000 0.220 95 A C 2.157 179.737 177.584 -0.006 0.000 1.177 95 A CA 3.120 55.150 52.037 -0.012 0.000 0.636 95 A CB -0.770 18.221 19.000 -0.014 0.000 0.815 95 A HN 0.765 nan 8.150 nan 0.000 0.449 96 S N -1.775 113.924 115.700 -0.002 0.000 2.387 96 S HA 0.364 4.834 4.470 -0.001 0.000 0.226 96 S C 1.383 175.988 174.600 0.009 0.000 1.026 96 S CA 1.258 59.460 58.200 0.002 0.000 0.972 96 S CB -0.251 62.957 63.200 0.013 0.000 0.814 96 S HN 1.628 nan 8.310 nan 0.000 0.477 97 G N 0.767 109.574 108.800 0.013 0.000 2.545 97 G HA2 0.344 4.304 3.960 -0.001 0.000 0.211 97 G HA3 0.344 4.304 3.960 -0.001 0.000 0.211 97 G C -0.727 174.196 174.900 0.037 0.000 1.167 97 G CA -0.297 44.819 45.100 0.027 0.000 1.151 97 G HN 1.298 nan 8.290 nan 0.000 0.581 98 A N -2.150 120.727 122.820 0.095 0.000 2.597 98 A HA 0.850 5.170 4.320 -0.001 0.000 0.292 98 A C -1.224 176.497 177.584 0.228 0.000 1.057 98 A CA 0.386 52.483 52.037 0.100 0.000 0.674 98 A CB 1.511 20.495 19.000 -0.027 0.000 1.278 98 A HN 2.092 nan 8.150 nan 0.000 0.416 99 V N 1.078 121.133 119.914 0.236 0.000 2.777 99 V HA 0.709 4.829 4.120 -0.001 0.000 0.306 99 V C -0.855 175.401 176.094 0.271 0.000 1.112 99 V CA -0.336 62.164 62.300 0.333 0.000 0.917 99 V CB 1.736 33.822 31.823 0.439 0.000 1.018 99 V HN 1.129 nan 8.190 nan 0.000 0.426 100 L N 2.702 124.039 121.223 0.190 0.000 2.409 100 L HA 0.832 5.172 4.340 -0.001 0.000 0.262 100 L C -0.453 176.423 176.870 0.011 0.000 0.992 100 L CA -0.096 54.823 54.840 0.132 0.000 0.817 100 L CB 2.467 44.537 42.059 0.018 0.000 1.350 100 L HN 0.662 nan 8.230 nan 0.000 0.411 101 S N 4.296 119.982 115.700 -0.023 0.000 2.532 101 S HA 0.469 4.938 4.470 -0.001 0.000 0.256 101 S C -2.040 172.434 174.600 -0.210 0.000 1.298 101 S CA -1.503 56.476 58.200 -0.368 0.000 1.166 101 S CB 0.956 63.833 63.200 -0.538 0.000 1.022 101 S HN 0.544 nan 8.310 nan 0.000 0.480 102 P HA -0.072 nan 4.420 nan 0.000 0.216 102 P C -1.748 175.504 177.300 -0.081 0.000 1.153 102 P CA 1.260 64.257 63.100 -0.172 0.000 0.858 102 P CB -0.678 30.840 31.700 -0.303 0.000 0.789 103 P HA -0.106 nan 4.420 nan 0.000 0.214 103 P C 1.566 178.988 177.300 0.203 0.000 1.162 103 P CA 1.811 64.921 63.100 0.017 0.000 0.874 103 P CB -0.701 30.966 31.700 -0.054 0.000 0.784 104 A N 0.505 123.423 122.820 0.163 0.000 1.927 104 A HA -0.217 4.102 4.320 -0.001 0.000 0.220 104 A C 2.205 179.982 177.584 0.323 0.000 1.185 104 A CA 1.726 53.945 52.037 0.303 0.000 0.639 104 A CB -1.841 17.255 19.000 0.159 0.000 0.820 104 A HN 0.172 nan 8.150 nan 0.000 0.451 105 L N -1.692 119.648 121.223 0.194 0.000 2.093 105 L HA -0.112 4.228 4.340 -0.001 0.000 0.208 105 L C 2.298 179.251 176.870 0.138 0.000 1.085 105 L CA 2.299 57.243 54.840 0.173 0.000 0.755 105 L CB -0.873 41.285 42.059 0.165 0.000 0.904 105 L HN 0.510 nan 8.230 nan 0.000 0.435 106 F N 0.811 120.751 119.950 -0.016 0.000 2.075 106 F HA -0.121 4.405 4.527 -0.001 0.000 0.297 106 F C 2.311 178.026 175.800 -0.143 0.000 1.113 106 F CA 1.749 59.701 58.000 -0.079 0.000 1.218 106 F CB -0.384 38.557 39.000 -0.099 0.000 0.984 106 F HN 0.139 nan 8.300 nan 0.000 0.472 107 G N -1.060 107.660 108.800 -0.133 0.000 2.448 107 G HA2 -0.215 3.745 3.960 -0.001 0.000 0.219 107 G HA3 -0.215 3.745 3.960 -0.001 0.000 0.219 107 G C 1.533 175.889 174.900 -0.907 0.000 1.127 107 G CA 1.303 45.986 45.100 -0.695 0.000 0.766 107 G HN 0.390 nan 8.290 nan 0.000 0.552 108 T N 1.397 115.749 114.554 -0.336 0.000 2.708 108 T HA -0.053 4.296 4.350 -0.001 0.000 0.266 108 T C 2.393 176.979 174.700 -0.190 0.000 1.037 108 T CA 0.964 63.007 62.100 -0.095 0.000 1.146 108 T CB -0.180 68.798 68.868 0.183 0.000 0.865 108 T HN 0.190 nan 8.240 nan 0.000 0.435 109 L N 0.689 121.790 121.223 -0.202 0.000 2.109 109 L HA -0.025 4.314 4.340 -0.001 0.000 0.207 109 L C 2.667 179.417 176.870 -0.200 0.000 1.086 109 L CA 0.604 55.340 54.840 -0.173 0.000 0.760 109 L CB -0.678 41.241 42.059 -0.233 0.000 0.910 109 L HN 0.116 nan 8.230 nan 0.000 0.437 110 V N -0.580 119.083 119.914 -0.419 0.000 2.392 110 V HA -0.287 3.833 4.120 -0.001 0.000 0.249 110 V C 2.560 178.558 176.094 -0.159 0.000 1.059 110 V CA 2.029 64.113 62.300 -0.360 0.000 1.051 110 V CB -0.500 31.004 31.823 -0.531 0.000 0.658 110 V HN 0.411 nan 8.190 nan 0.000 0.455 111 S N -0.236 115.311 115.700 -0.254 0.000 2.356 111 S HA -0.138 4.331 4.470 -0.001 0.000 0.223 111 S C 1.772 176.331 174.600 -0.069 0.000 1.032 111 S CA 1.564 59.650 58.200 -0.190 0.000 1.005 111 S CB -0.468 62.573 63.200 -0.266 0.000 0.867 111 S HN 0.533 nan 8.310 nan 0.000 0.449 112 F N 0.412 120.265 119.950 -0.162 0.000 2.171 112 F HA -0.070 4.457 4.527 -0.000 0.000 0.300 112 F C 2.258 178.056 175.800 -0.002 0.000 1.090 112 F CA 1.117 59.062 58.000 -0.092 0.000 1.293 112 F CB -0.612 38.278 39.000 -0.182 0.000 1.013 112 F HN 0.212 nan 8.300 nan 0.000 0.486 113 Y N 0.479 120.811 120.300 0.053 0.000 2.181 113 Y HA -0.211 4.339 4.550 -0.001 0.000 0.288 113 Y C 1.990 177.921 175.900 0.051 0.000 1.146 113 Y CA 1.469 59.575 58.100 0.010 0.000 1.164 113 Y CB -0.514 37.901 38.460 -0.075 0.000 0.982 113 Y HN 0.001 nan 8.280 nan 0.000 0.515 114 L N -0.572 120.706 121.223 0.092 0.000 2.456 114 L HA -0.077 4.263 4.340 -0.001 0.000 0.224 114 L C 1.994 179.009 176.870 0.241 0.000 1.148 114 L CA 1.113 56.009 54.840 0.094 0.000 0.825 114 L CB -0.535 41.587 42.059 0.104 0.000 0.937 114 L HN 0.453 nan 8.230 nan 0.000 0.450 115 G N -1.528 107.400 108.800 0.214 0.000 3.324 115 G HA2 0.073 4.033 3.960 -0.001 0.000 0.251 115 G HA3 0.073 4.033 3.960 -0.001 0.000 0.251 115 G C 0.384 175.196 174.900 -0.147 0.000 1.072 115 G CA 0.302 45.351 45.100 -0.085 0.000 0.787 115 G HN 0.326 nan 8.290 nan 0.000 0.537 116 S N -0.353 115.279 115.700 -0.114 0.000 2.681 116 S HA 0.834 5.304 4.470 -0.001 0.000 0.299 116 S C -0.332 174.195 174.600 -0.123 0.000 1.113 116 S CA -0.706 57.434 58.200 -0.099 0.000 1.013 116 S CB 2.070 65.239 63.200 -0.051 0.000 1.076 116 S HN 0.034 nan 8.310 nan 0.000 0.534 117 L N 0.198 121.376 121.223 -0.075 0.000 2.211 117 L HA 0.485 4.825 4.340 -0.001 0.000 0.259 117 L C 1.332 178.184 176.870 -0.030 0.000 1.031 117 L CA -0.979 53.827 54.840 -0.057 0.000 0.877 117 L CB 0.577 42.611 42.059 -0.042 0.000 1.457 117 L HN 0.683 nan 8.230 nan 0.000 0.466 118 D N 0.550 120.942 120.400 -0.014 0.000 2.192 118 D HA -0.181 4.458 4.640 -0.001 0.000 0.189 118 D C -0.843 175.467 176.300 0.016 0.000 1.007 118 D CA 2.320 56.324 54.000 0.007 0.000 0.859 118 D CB -0.769 40.035 40.800 0.008 0.000 0.936 118 D HN 0.313 nan 8.370 nan 0.000 0.447 119 P HA -0.021 nan 4.420 nan 0.000 0.215 119 P C 1.455 178.766 177.300 0.018 0.000 1.157 119 P CA 1.710 64.817 63.100 0.012 0.000 0.859 119 P CB -0.186 31.517 31.700 0.005 0.000 0.786 120 T N -0.625 113.936 114.554 0.013 0.000 2.904 120 T HA 0.005 4.355 4.350 -0.001 0.000 0.267 120 T C 1.898 176.630 174.700 0.053 0.000 1.059 120 T CA 1.287 63.400 62.100 0.022 0.000 1.137 120 T CB -0.812 68.063 68.868 0.012 0.000 0.879 120 T HN 0.020 nan 8.240 nan 0.000 0.467 121 A N 2.075 124.919 122.820 0.041 0.000 1.877 121 A HA -0.125 4.194 4.320 -0.001 0.000 0.216 121 A C 2.569 180.285 177.584 0.219 0.000 1.186 121 A CA 2.186 54.270 52.037 0.080 0.000 0.620 121 A CB -0.875 18.107 19.000 -0.031 0.000 0.822 121 A HN 0.602 nan 8.150 nan 0.000 0.443 122 S N -0.667 115.111 115.700 0.130 0.000 2.406 122 S HA -0.180 4.289 4.470 -0.001 0.000 0.228 122 S C 1.949 176.595 174.600 0.075 0.000 1.020 122 S CA 1.242 59.510 58.200 0.112 0.000 0.965 122 S CB -0.395 62.850 63.200 0.074 0.000 0.798 122 S HN 0.684 nan 8.310 nan 0.000 0.488 123 Q N 1.034 120.870 119.800 0.060 0.000 1.994 123 Q HA 0.147 4.487 4.340 -0.001 0.000 0.198 123 Q C 2.305 178.318 176.000 0.022 0.000 0.976 123 Q CA 1.392 57.213 55.803 0.030 0.000 0.828 123 Q CB -0.456 28.292 28.738 0.016 0.000 0.894 123 Q HN 0.451 nan 8.270 nan 0.000 0.432 124 L N 0.816 122.068 121.223 0.048 0.000 2.089 124 L HA -0.319 4.020 4.340 -0.001 0.000 0.213 124 L C 2.707 179.551 176.870 -0.042 0.000 1.079 124 L CA 1.556 56.411 54.840 0.026 0.000 0.758 124 L CB -0.388 41.739 42.059 0.113 0.000 0.891 124 L HN 0.397 nan 8.230 nan 0.000 0.433 125 Q N -0.396 119.387 119.800 -0.029 0.000 2.084 125 Q HA -0.191 4.149 4.340 -0.001 0.000 0.202 125 Q C 2.181 178.103 176.000 -0.130 0.000 0.978 125 Q CA 1.946 57.644 55.803 -0.176 0.000 0.844 125 Q CB 0.048 28.715 28.738 -0.119 0.000 0.898 125 Q HN 0.362 nan 8.270 nan 0.000 0.426 126 V N 1.006 120.884 119.914 -0.060 0.000 2.427 126 V HA -0.225 3.895 4.120 -0.001 0.000 0.248 126 V C 2.272 178.337 176.094 -0.048 0.000 1.051 126 V CA 1.350 63.620 62.300 -0.050 0.000 1.048 126 V CB -0.635 31.177 31.823 -0.018 0.000 0.666 126 V HN 0.445 nan 8.190 nan 0.000 0.456 127 L N 0.097 121.294 121.223 -0.043 0.000 2.042 127 L HA -0.135 4.204 4.340 -0.001 0.000 0.210 127 L C 2.022 178.873 176.870 -0.030 0.000 1.076 127 L CA 1.955 56.775 54.840 -0.034 0.000 0.749 127 L CB -0.610 41.423 42.059 -0.042 0.000 0.893 127 L HN 0.247 nan 8.230 nan 0.000 0.432 128 L N -0.708 120.473 121.223 -0.070 0.000 2.622 128 L HA 0.141 4.481 4.340 -0.001 0.000 0.233 128 L C 1.778 178.623 176.870 -0.040 0.000 1.156 128 L CA 0.643 55.464 54.840 -0.033 0.000 0.866 128 L CB -0.768 41.195 42.059 -0.160 0.000 0.980 128 L HN 0.632 nan 8.230 nan 0.000 0.448 129 G N -0.738 108.008 108.800 -0.090 0.000 2.279 129 G HA2 -0.260 3.700 3.960 -0.001 0.000 0.223 129 G HA3 -0.260 3.700 3.960 -0.001 0.000 0.223 129 G C 0.346 175.074 174.900 -0.287 0.000 1.015 129 G CA -0.028 44.994 45.100 -0.129 0.000 0.621 129 G HN 0.060 nan 8.290 nan 0.000 0.506 130 V N 3.546 123.229 119.914 -0.386 0.000 2.521 130 V HA 0.395 4.515 4.120 -0.001 0.000 0.286 130 V C -1.401 174.564 176.094 -0.215 0.000 1.034 130 V CA -0.933 61.052 62.300 -0.525 0.000 1.045 130 V CB 1.036 32.529 31.823 -0.550 0.000 0.974 130 V HN 0.199 nan 8.190 nan 0.000 0.480 131 P HA 0.232 nan 4.420 nan 0.000 0.269 131 P C -0.743 176.607 177.300 0.083 0.000 1.209 131 P CA 0.019 63.132 63.100 0.021 0.000 0.776 131 P CB 0.654 32.400 31.700 0.076 0.000 0.876 132 V N 3.253 123.201 119.914 0.057 0.000 2.680 132 V HA 0.381 4.500 4.120 -0.001 0.000 0.309 132 V C 0.084 176.206 176.094 0.046 0.000 1.052 132 V CA -0.695 61.647 62.300 0.069 0.000 0.908 132 V CB 2.074 33.938 31.823 0.068 0.000 1.001 132 V HN 0.375 nan 8.190 nan 0.000 0.431 133 K N 2.574 122.997 120.400 0.039 0.000 2.293 133 K HA 0.387 4.707 4.320 -0.001 0.000 0.267 133 K C -0.394 176.226 176.600 0.033 0.000 1.010 133 K CA -0.413 55.890 56.287 0.026 0.000 0.875 133 K CB 1.541 34.046 32.500 0.008 0.000 1.106 133 K HN 0.672 nan 8.250 nan 0.000 0.450 134 E N 1.647 121.866 120.200 0.030 0.000 1.833 134 E HA 0.010 4.359 4.350 -0.001 0.000 0.258 134 E C 0.781 177.396 176.600 0.026 0.000 1.257 134 E CA 0.068 56.487 56.400 0.030 0.000 1.003 134 E CB 0.143 29.858 29.700 0.025 0.000 1.068 134 E HN 1.000 nan 8.360 nan 0.000 0.422 135 G N 3.260 112.077 108.800 0.029 0.000 3.134 135 G HA2 -0.191 3.769 3.960 -0.001 0.000 0.195 135 G HA3 -0.191 3.769 3.960 -0.001 0.000 0.195 135 G C 0.040 174.955 174.900 0.026 0.000 1.054 135 G CA -0.568 44.546 45.100 0.024 0.000 0.828 135 G HN 0.505 nan 8.290 nan 0.000 0.462 136 D N 0.800 121.217 120.400 0.029 0.000 2.341 136 D HA 0.357 4.996 4.640 -0.001 0.000 0.245 136 D C 1.780 178.114 176.300 0.056 0.000 1.106 136 D CA 0.356 54.373 54.000 0.029 0.000 0.905 136 D CB 1.578 42.385 40.800 0.012 0.000 1.202 136 D HN 0.490 nan 8.370 nan 0.000 0.426 137 c N 1.290 119.926 118.600 0.060 0.000 2.611 137 c HA 0.093 4.663 4.570 -0.001 0.000 0.282 137 c C 2.170 176.367 174.090 0.179 0.000 1.321 137 c CA 0.690 57.079 56.329 0.101 0.000 1.747 137 c CB -0.896 41.636 42.510 0.038 0.000 2.124 137 c HN 0.715 nan 8.230 nan 0.000 0.531 138 T N 0.445 115.066 114.554 0.112 0.000 3.148 138 T HA 0.051 4.400 4.350 -0.001 0.000 0.253 138 T C 1.360 176.049 174.700 -0.019 0.000 1.134 138 T CA 1.363 63.533 62.100 0.117 0.000 1.051 138 T CB -0.674 68.226 68.868 0.054 0.000 0.959 138 T HN 0.781 nan 8.240 nan 0.000 0.525 139 S N 0.086 115.779 115.700 -0.013 0.000 2.557 139 S HA 0.387 4.857 4.470 -0.001 0.000 0.223 139 S C 0.584 175.341 174.600 0.262 0.000 0.969 139 S CA -0.875 57.255 58.200 -0.117 0.000 0.927 139 S CB 0.038 63.190 63.200 -0.080 0.000 0.806 139 S HN 0.233 nan 8.310 nan 0.000 0.489 140 R N 1.207 121.908 120.500 0.336 0.000 2.486 140 R HA 0.485 4.824 4.340 -0.001 0.000 0.286 140 R C -0.339 176.079 176.300 0.196 0.000 0.999 140 R CA -0.832 55.467 56.100 0.332 0.000 0.993 140 R CB 0.627 31.183 30.300 0.427 0.000 1.084 140 R HN 0.318 nan 8.270 nan 0.000 0.487 141 L N 1.827 123.035 121.223 -0.025 0.000 2.416 141 L HA 0.034 4.373 4.340 -0.001 0.000 0.272 141 L C 0.754 177.342 176.870 -0.469 0.000 1.161 141 L CA 0.130 54.775 54.840 -0.325 0.000 0.845 141 L CB 0.338 42.018 42.059 -0.633 0.000 1.119 141 L HN 0.365 nan 8.230 nan 0.000 0.464 142 D N 2.470 122.499 120.400 -0.619 0.000 2.339 142 D HA 0.108 4.747 4.640 -0.001 0.000 0.241 142 D C 0.948 177.158 176.300 -0.151 0.000 1.183 142 D CA -0.012 53.619 54.000 -0.614 0.000 0.859 142 D CB 1.901 42.444 40.800 -0.428 0.000 1.067 142 D HN 0.649 nan 8.370 nan 0.000 0.484 143 G N 2.873 111.705 108.800 0.054 0.000 2.422 143 G HA2 -0.297 3.662 3.960 -0.001 0.000 0.218 143 G HA3 -0.297 3.662 3.960 -0.001 0.000 0.218 143 G C 1.382 176.318 174.900 0.061 0.000 1.146 143 G CA 0.753 45.911 45.100 0.097 0.000 0.769 143 G HN 0.639 nan 8.290 nan 0.000 0.547 144 H N 0.579 119.664 119.070 0.025 0.000 2.357 144 H HA 0.093 4.649 4.556 0.000 0.000 0.301 144 H C 2.571 177.911 175.328 0.020 0.000 1.082 144 H CA 1.711 57.776 56.048 0.027 0.000 1.342 144 H CB 0.054 29.847 29.762 0.053 0.000 1.389 144 H HN 0.271 nan 8.280 nan 0.000 0.511 145 K N -0.471 119.978 120.400 0.082 0.000 2.063 145 K HA -0.115 4.205 4.320 -0.001 0.000 0.208 145 K C 2.188 178.769 176.600 -0.031 0.000 1.048 145 K CA 1.462 57.761 56.287 0.021 0.000 0.928 145 K CB -0.115 32.403 32.500 0.030 0.000 0.713 145 K HN 0.127 nan 8.250 nan 0.000 0.442 146 V N 1.879 121.766 119.914 -0.046 0.000 2.343 146 V HA -0.226 3.893 4.120 -0.001 0.000 0.247 146 V C 2.225 178.311 176.094 -0.014 0.000 1.051 146 V CA 1.554 63.836 62.300 -0.031 0.000 1.036 146 V CB -0.392 31.387 31.823 -0.074 0.000 0.654 146 V HN 0.282 nan 8.190 nan 0.000 0.451 147 L N 0.351 121.535 121.223 -0.064 0.000 2.056 147 L HA -0.148 4.192 4.340 -0.001 0.000 0.207 147 L C 2.827 179.680 176.870 -0.027 0.000 1.078 147 L CA 2.034 56.847 54.840 -0.044 0.000 0.749 147 L CB -1.091 40.921 42.059 -0.079 0.000 0.901 147 L HN 0.577 nan 8.230 nan 0.000 0.433 148 T N -2.149 112.335 114.554 -0.117 0.000 2.708 148 T HA -0.144 4.205 4.350 -0.001 0.000 0.266 148 T C 2.000 176.692 174.700 -0.013 0.000 1.037 148 T CA 0.946 62.995 62.100 -0.084 0.000 1.146 148 T CB -0.527 68.264 68.868 -0.128 0.000 0.865 148 T HN 0.303 nan 8.240 nan 0.000 0.435 149 A N 1.389 124.205 122.820 -0.008 0.000 1.940 149 A HA 0.045 4.365 4.320 -0.001 0.000 0.219 149 A C 2.311 179.912 177.584 0.028 0.000 1.176 149 A CA 1.594 53.636 52.037 0.009 0.000 0.631 149 A CB -0.943 18.059 19.000 0.004 0.000 0.814 149 A HN 0.450 nan 8.150 nan 0.000 0.446 150 L N -0.579 120.680 121.223 0.059 0.000 2.217 150 L HA -0.092 4.247 4.340 -0.001 0.000 0.211 150 L C 2.421 179.365 176.870 0.122 0.000 1.107 150 L CA 2.083 56.986 54.840 0.106 0.000 0.783 150 L CB -0.431 41.738 42.059 0.183 0.000 0.919 150 L HN 0.591 nan 8.230 nan 0.000 0.442 151 Q N -1.093 118.766 119.800 0.099 0.000 2.172 151 Q HA -0.141 4.199 4.340 -0.001 0.000 0.200 151 Q C 2.116 178.158 176.000 0.070 0.000 0.964 151 Q CA 1.139 56.996 55.803 0.090 0.000 0.855 151 Q CB -0.010 28.764 28.738 0.060 0.000 0.918 151 Q HN 0.619 nan 8.270 nan 0.000 0.444 152 A N -0.005 122.845 122.820 0.051 0.000 1.902 152 A HA -0.142 4.177 4.320 -0.001 0.000 0.217 152 A C 2.155 179.774 177.584 0.058 0.000 1.181 152 A CA 1.548 53.611 52.037 0.042 0.000 0.623 152 A CB -0.685 18.330 19.000 0.026 0.000 0.818 152 A HN 0.287 nan 8.150 nan 0.000 0.443 153 V N -0.083 119.873 119.914 0.069 0.000 2.343 153 V HA -0.315 3.805 4.120 -0.001 0.000 0.247 153 V C 2.606 178.836 176.094 0.226 0.000 1.051 153 V CA 2.202 64.566 62.300 0.107 0.000 1.036 153 V CB -0.988 30.857 31.823 0.036 0.000 0.654 153 V HN 0.631 nan 8.190 nan 0.000 0.451 154 Q N 0.122 120.039 119.800 0.196 0.000 2.124 154 Q HA -0.128 4.211 4.340 -0.001 0.000 0.202 154 Q C 2.407 178.468 176.000 0.101 0.000 0.977 154 Q CA 1.644 57.560 55.803 0.189 0.000 0.850 154 Q CB -0.514 28.317 28.738 0.154 0.000 0.901 154 Q HN 0.729 nan 8.270 nan 0.000 0.429 155 G N 0.883 109.729 108.800 0.078 0.000 2.402 155 G HA2 -0.207 3.752 3.960 -0.001 0.000 0.216 155 G HA3 -0.207 3.752 3.960 -0.001 0.000 0.216 155 G C 1.369 176.286 174.900 0.029 0.000 1.162 155 G CA 0.407 45.534 45.100 0.046 0.000 0.777 155 G HN 0.185 nan 8.290 nan 0.000 0.539 156 L N -0.086 121.158 121.223 0.035 0.000 2.275 156 L HA 0.024 4.363 4.340 -0.001 0.000 0.215 156 L C 2.559 179.418 176.870 -0.018 0.000 1.119 156 L CA 0.059 54.909 54.840 0.016 0.000 0.790 156 L CB -0.272 41.803 42.059 0.026 0.000 0.919 156 L HN 0.196 nan 8.230 nan 0.000 0.443 157 L N 0.358 121.542 121.223 -0.066 0.000 2.201 157 L HA -0.051 4.288 4.340 -0.001 0.000 0.212 157 L C 1.312 178.151 176.870 -0.051 0.000 1.105 157 L CA 1.452 56.185 54.840 -0.179 0.000 0.775 157 L CB -0.058 41.728 42.059 -0.455 0.000 0.913 157 L HN 0.149 nan 8.230 nan 0.000 0.440 158 V N -1.862 118.041 119.914 -0.018 0.000 2.592 158 V HA 0.528 4.648 4.120 -0.001 0.000 0.278 158 V C -0.065 176.025 176.094 -0.006 0.000 1.087 158 V CA 0.261 62.556 62.300 -0.008 0.000 1.282 158 V CB -0.664 31.156 31.823 -0.005 0.000 1.543 158 V HN 0.420 nan 8.190 nan 0.000 0.606 169 L N 1.489 122.625 121.223 -0.144 0.000 2.505 169 L HA 0.506 4.845 4.340 -0.001 0.000 0.266 169 L C -1.144 175.562 176.870 -0.274 0.000 0.954 169 L CA -0.264 54.427 54.840 -0.248 0.000 0.852 169 L CB 2.130 44.131 42.059 -0.097 0.000 1.282 169 L HN 0.364 nan 8.230 nan 0.000 0.403 170 L N 3.027 123.971 121.223 -0.465 0.000 2.322 170 L HA 0.661 5.001 4.340 -0.001 0.000 0.281 170 L C -0.569 176.067 176.870 -0.391 0.000 1.014 170 L CA -0.569 54.047 54.840 -0.373 0.000 0.815 170 L CB 1.922 43.737 42.059 -0.407 0.000 1.247 170 L HN 0.663 nan 8.230 nan 0.000 0.421 171 Q N 2.630 122.346 119.800 -0.139 0.000 2.533 171 Q HA 0.349 4.689 4.340 -0.001 0.000 0.251 171 Q C -1.565 174.474 176.000 0.064 0.000 0.966 171 Q CA -0.177 55.638 55.803 0.021 0.000 0.714 171 Q CB 1.697 30.539 28.738 0.174 0.000 1.284 171 Q HN 0.550 nan 8.270 nan 0.000 0.478 172 S N 1.977 117.724 115.700 0.078 0.000 2.489 172 S HA 0.747 5.217 4.470 -0.001 0.000 0.291 172 S C -0.766 174.022 174.600 0.314 0.000 1.151 172 S CA -0.435 57.908 58.200 0.238 0.000 1.082 172 S CB 1.337 64.814 63.200 0.461 0.000 1.019 172 S HN 0.629 nan 8.310 nan 0.000 0.492 173 T N -0.228 114.482 114.554 0.259 0.000 2.906 173 T HA 0.583 4.933 4.350 -0.001 0.000 0.302 173 T C -0.449 174.353 174.700 0.170 0.000 1.002 173 T CA -0.818 61.414 62.100 0.220 0.000 0.988 173 T CB 0.472 69.349 68.868 0.015 0.000 0.972 173 T HN 0.512 nan 8.240 nan 0.000 0.447 174 V N 1.718 121.806 119.914 0.289 0.000 2.547 174 V HA 0.918 5.037 4.120 -0.001 0.000 0.299 174 V C -0.631 175.616 176.094 0.256 0.000 1.040 174 V CA -0.785 61.646 62.300 0.219 0.000 0.913 174 V CB 1.627 33.516 31.823 0.110 0.000 0.992 174 V HN 0.770 nan 8.190 nan 0.000 0.449 175 V N 4.438 124.463 119.914 0.185 0.000 2.459 175 V HA 0.746 4.865 4.120 -0.001 0.000 0.295 175 V C 0.890 177.042 176.094 0.097 0.000 1.029 175 V CA 0.212 62.572 62.300 0.100 0.000 0.874 175 V CB 1.543 33.323 31.823 -0.072 0.000 0.985 175 V HN 1.230 nan 8.190 nan 0.000 0.438 176 G N 4.244 113.098 108.800 0.089 0.000 2.428 176 G HA2 0.529 4.488 3.960 -0.001 0.000 0.320 176 G HA3 0.529 4.488 3.960 -0.001 0.000 0.320 176 G C -0.969 173.574 174.900 -0.596 0.000 1.098 176 G CA -0.352 44.589 45.100 -0.264 0.000 0.984 176 G HN 0.513 nan 8.290 nan 0.000 0.444 177 L N 3.957 124.808 121.223 -0.621 0.000 2.314 177 L HA 0.557 4.897 4.340 -0.001 0.000 0.275 177 L C -1.049 175.581 176.870 -0.399 0.000 1.068 177 L CA -1.097 53.526 54.840 -0.362 0.000 0.894 177 L CB -0.322 41.644 42.059 -0.156 0.000 1.275 177 L HN 0.326 nan 8.230 nan 0.000 0.432 178 F N 2.166 122.167 119.950 0.085 0.000 2.410 178 F HA 0.620 5.147 4.527 -0.000 0.000 0.349 178 F C 0.910 176.705 175.800 -0.008 0.000 1.117 178 F CA -0.548 57.452 58.000 -0.001 0.000 1.104 178 F CB 1.502 40.477 39.000 -0.041 0.000 1.122 178 F HN 0.437 nan 8.300 nan 0.000 0.483 179 T N -0.069 114.537 114.554 0.086 0.000 2.908 179 T HA 0.840 5.190 4.350 -0.001 0.000 0.290 179 T C -0.269 174.418 174.700 -0.023 0.000 1.034 179 T CA -1.084 61.029 62.100 0.022 0.000 1.010 179 T CB 1.695 70.540 68.868 -0.039 0.000 1.068 179 T HN 0.780 nan 8.240 nan 0.000 0.481 180 A N 2.835 125.639 122.820 -0.025 0.000 2.407 180 A HA 0.618 4.937 4.320 -0.001 0.000 0.248 180 A C -2.430 175.126 177.584 -0.046 0.000 1.082 180 A CA -1.420 50.592 52.037 -0.042 0.000 0.785 180 A CB -0.749 18.238 19.000 -0.022 0.000 1.020 180 A HN 0.712 nan 8.150 nan 0.000 0.489 181 P HA 0.382 nan 4.420 nan 0.000 0.276 181 P C 0.902 178.176 177.300 -0.043 0.000 1.235 181 P CA 1.240 64.312 63.100 -0.047 0.000 0.772 181 P CB 1.061 32.736 31.700 -0.041 0.000 0.871 182 G N 1.818 110.588 108.800 -0.049 0.000 2.254 182 G HA2 -0.240 3.720 3.960 -0.001 0.000 0.225 182 G HA3 -0.240 3.720 3.960 -0.001 0.000 0.225 182 G C -0.234 174.631 174.900 -0.057 0.000 1.003 182 G CA -0.163 44.909 45.100 -0.046 0.000 0.622 182 G HN 0.612 nan 8.290 nan 0.000 0.507 183 L N 2.656 123.840 121.223 -0.065 0.000 2.410 183 L HA 0.637 4.976 4.340 -0.001 0.000 0.273 183 L C 0.715 177.506 176.870 -0.132 0.000 1.144 183 L CA -0.270 54.521 54.840 -0.080 0.000 0.863 183 L CB 0.309 42.329 42.059 -0.066 0.000 1.140 183 L HN 0.297 nan 8.230 nan 0.000 0.463 184 R N 5.607 126.023 120.500 -0.141 0.000 2.407 184 R HA 0.536 4.875 4.340 -0.001 0.000 0.303 184 R C -0.944 175.206 176.300 -0.250 0.000 0.981 184 R CA -0.844 55.127 56.100 -0.215 0.000 0.905 184 R CB 1.144 31.365 30.300 -0.133 0.000 1.099 184 R HN 0.614 nan 8.270 nan 0.000 0.459 185 L N 2.496 123.443 121.223 -0.461 0.000 2.357 185 L HA 0.358 4.698 4.340 -0.001 0.000 0.273 185 L C 0.240 177.068 176.870 -0.070 0.000 1.080 185 L CA -0.626 54.027 54.840 -0.311 0.000 0.803 185 L CB 1.088 42.922 42.059 -0.374 0.000 1.174 185 L HN 0.359 nan 8.230 nan 0.000 0.443 186 K N 1.587 122.053 120.400 0.109 0.000 2.276 186 K HA 0.121 4.441 4.320 -0.001 0.000 0.283 186 K C 0.620 177.446 176.600 0.378 0.000 1.044 186 K CA -0.207 56.206 56.287 0.210 0.000 0.944 186 K CB 1.268 33.843 32.500 0.125 0.000 1.012 186 K HN 0.519 nan 8.250 nan 0.000 0.472 187 Q N 2.283 122.283 119.800 0.334 0.000 2.084 187 Q HA -0.141 4.198 4.340 -0.001 0.000 0.202 187 Q C -0.960 175.113 176.000 0.122 0.000 0.978 187 Q CA 1.473 57.389 55.803 0.189 0.000 0.844 187 Q CB -0.623 28.141 28.738 0.044 0.000 0.898 187 Q HN 0.479 nan 8.270 nan 0.000 0.426 188 P HA -0.196 nan 4.420 nan 0.000 0.215 188 P C 0.948 178.321 177.300 0.123 0.000 1.153 188 P CA 1.033 64.188 63.100 0.091 0.000 0.853 188 P CB -0.133 31.620 31.700 0.088 0.000 0.788 189 F N 0.542 120.525 119.950 0.055 0.000 2.051 189 F HA -0.209 4.317 4.527 -0.001 0.000 0.296 189 F C 2.010 177.854 175.800 0.073 0.000 1.122 189 F CA 1.480 59.512 58.000 0.053 0.000 1.201 189 F CB -1.094 37.932 39.000 0.043 0.000 0.978 189 F HN -0.325 nan 8.300 nan 0.000 0.472 190 V N 1.055 121.003 119.914 0.057 0.000 2.380 190 V HA -0.317 3.803 4.120 -0.001 0.000 0.251 190 V C 2.475 178.490 176.094 -0.132 0.000 1.063 190 V CA 2.264 64.532 62.300 -0.054 0.000 1.055 190 V CB -0.779 31.154 31.823 0.183 0.000 0.657 190 V HN 0.395 nan 8.190 nan 0.000 0.455 191 E N 0.322 120.475 120.200 -0.078 0.000 2.051 191 E HA -0.154 4.195 4.350 -0.001 0.000 0.192 191 E C 2.449 179.025 176.600 -0.041 0.000 0.991 191 E CA 1.551 57.915 56.400 -0.060 0.000 0.799 191 E CB -0.474 29.204 29.700 -0.037 0.000 0.748 191 E HN 0.657 nan 8.360 nan 0.000 0.449 192 S N 1.530 117.191 115.700 -0.065 0.000 2.392 192 S HA -0.161 4.309 4.470 -0.001 0.000 0.232 192 S C 1.999 176.591 174.600 -0.014 0.000 1.041 192 S CA 1.006 59.206 58.200 0.000 0.000 1.026 192 S CB -0.332 62.828 63.200 -0.067 0.000 0.845 192 S HN 0.246 nan 8.310 nan 0.000 0.465 193 L N 1.350 122.491 121.223 -0.136 0.000 2.599 193 L HA 0.127 4.466 4.340 -0.001 0.000 0.230 193 L C 2.483 179.386 176.870 0.056 0.000 1.141 193 L CA 0.228 55.038 54.840 -0.050 0.000 0.877 193 L CB -1.149 40.856 42.059 -0.090 0.000 1.009 193 L HN 0.373 nan 8.230 nan 0.000 0.447 194 G N 1.929 110.745 108.800 0.025 0.000 2.529 194 G HA2 -0.223 3.736 3.960 -0.001 0.000 0.219 194 G HA3 -0.223 3.736 3.960 -0.001 0.000 0.219 194 G C -0.576 174.351 174.900 0.045 0.000 1.177 194 G CA 0.800 45.917 45.100 0.028 0.000 0.773 194 G HN 0.339 nan 8.290 nan 0.000 0.573 195 P HA -0.117 nan 4.420 nan 0.000 0.215 195 P C 1.633 179.006 177.300 0.122 0.000 1.153 195 P CA 0.632 63.744 63.100 0.019 0.000 0.853 195 P CB -0.147 31.493 31.700 -0.100 0.000 0.788 196 F N 0.146 120.086 119.950 -0.016 0.000 2.063 196 F HA -0.110 4.416 4.527 -0.001 0.000 0.298 196 F C 0.905 176.740 175.800 0.058 0.000 1.109 196 F CA 1.862 59.881 58.000 0.033 0.000 1.212 196 F CB -0.765 38.265 39.000 0.049 0.000 0.973 196 F HN -0.040 nan 8.300 nan 0.000 0.480 197 T N -0.856 113.698 114.554 0.001 0.000 3.087 197 T HA 0.275 4.625 4.350 -0.001 0.000 0.351 197 T C -2.436 172.243 174.700 -0.034 0.000 1.520 197 T CA -0.835 61.217 62.100 -0.080 0.000 1.111 197 T CB 1.773 70.521 68.868 -0.199 0.000 1.353 197 T HN -0.150 nan 8.240 nan 0.000 0.481 198 P HA 0.243 nan 4.420 nan 0.000 0.236 198 P C 0.393 177.623 177.300 -0.116 0.000 1.177 198 P CA 0.099 63.162 63.100 -0.062 0.000 0.773 198 P CB 0.024 31.701 31.700 -0.039 0.000 0.878 199 A N 0.809 123.595 122.820 -0.056 0.000 3.168 199 A HA 0.367 4.686 4.320 -0.001 0.000 0.260 199 A C 0.360 177.939 177.584 -0.009 0.000 1.598 199 A CA -0.434 51.602 52.037 -0.000 0.000 1.285 199 A CB -1.391 17.741 19.000 0.220 0.000 1.149 199 A HN 0.106 nan 8.150 nan 0.000 0.630 200 I N 0.150 120.560 120.570 -0.266 0.000 2.359 200 I HA 0.398 4.568 4.170 -0.001 0.000 0.294 200 I C -0.986 174.886 176.117 -0.409 0.000 0.987 200 I CA -0.406 60.793 61.300 -0.168 0.000 1.225 200 I CB 1.472 39.401 38.000 -0.118 0.000 1.366 200 I HN 0.391 nan 8.210 nan 0.000 0.466 201 F N 6.826 126.727 119.950 -0.081 0.000 2.646 201 F HA 0.365 4.892 4.527 0.000 0.000 0.364 201 F C -2.374 173.290 175.800 -0.227 0.000 1.137 201 F CA -2.206 55.745 58.000 -0.082 0.000 1.085 201 F CB 1.228 40.267 39.000 0.065 0.000 1.331 201 F HN 0.194 nan 8.300 nan 0.000 0.472 202 P HA 0.278 nan 4.420 nan 0.000 0.276 202 P C -0.545 176.694 177.300 -0.101 0.000 1.243 202 P CA -0.255 62.815 63.100 -0.050 0.000 0.768 202 P CB 0.796 32.585 31.700 0.149 0.000 0.856 203 R N 1.429 121.809 120.500 -0.201 0.000 2.698 203 R HA 0.488 4.828 4.340 -0.001 0.000 0.275 203 R C -0.586 175.684 176.300 -0.050 0.000 1.001 203 R CA -0.710 55.294 56.100 -0.159 0.000 0.896 203 R CB 2.024 32.135 30.300 -0.316 0.000 1.218 203 R HN 0.457 nan 8.270 nan 0.000 0.462 204 S N 2.555 118.224 115.700 -0.051 0.000 2.462 204 S HA 0.808 5.278 4.470 -0.001 0.000 0.294 204 S C 0.249 174.823 174.600 -0.043 0.000 1.144 204 S CA -0.810 57.365 58.200 -0.041 0.000 1.088 204 S CB 1.130 64.297 63.200 -0.054 0.000 1.009 204 S HN 0.578 nan 8.310 nan 0.000 0.484 205 L N -1.153 120.036 121.223 -0.056 0.000 2.568 205 L HA 0.736 5.076 4.340 -0.001 0.000 0.257 205 L C -2.003 174.806 176.870 -0.101 0.000 1.024 205 L CA -1.153 53.637 54.840 -0.085 0.000 0.854 205 L CB 1.417 43.406 42.059 -0.117 0.000 1.460 205 L HN 0.300 nan 8.230 nan 0.000 0.409 206 D N 2.197 122.542 120.400 -0.092 0.000 2.358 206 D HA 0.328 4.968 4.640 -0.001 0.000 0.258 206 D C 0.676 176.905 176.300 -0.119 0.000 1.223 206 D CA 0.363 54.313 54.000 -0.083 0.000 0.886 206 D CB 1.316 42.081 40.800 -0.059 0.000 1.120 206 D HN 0.513 nan 8.370 nan 0.000 0.482 207 L N 1.570 122.720 121.223 -0.122 0.000 2.640 207 L HA 0.054 4.393 4.340 -0.001 0.000 0.230 207 L C 1.551 178.398 176.870 -0.038 0.000 1.123 207 L CA 0.122 54.875 54.840 -0.145 0.000 0.900 207 L CB 0.071 42.012 42.059 -0.196 0.000 1.146 207 L HN 0.352 nan 8.230 nan 0.000 0.484 208 S N -3.053 112.631 115.700 -0.027 0.000 2.559 208 S HA -0.035 4.435 4.470 -0.001 0.000 0.226 208 S C 1.802 176.398 174.600 -0.006 0.000 1.030 208 S CA 0.396 58.595 58.200 -0.002 0.000 0.956 208 S CB -0.071 63.130 63.200 0.001 0.000 0.900 208 S HN 0.362 nan 8.310 nan 0.000 0.510 209 T N -0.204 114.339 114.554 -0.018 0.000 2.668 209 T HA 0.040 4.389 4.350 -0.001 0.000 0.262 209 T C 0.444 175.138 174.700 -0.009 0.000 1.045 209 T CA 1.408 63.498 62.100 -0.016 0.000 1.152 209 T CB -0.498 68.356 68.868 -0.023 0.000 0.864 209 T HN 0.503 nan 8.240 nan 0.000 0.419 210 D N 0.443 120.836 120.400 -0.013 0.000 2.886 210 D HA 0.208 4.847 4.640 -0.001 0.000 0.216 210 D C -2.394 173.907 176.300 0.000 0.000 1.256 210 D CA -1.586 52.413 54.000 -0.003 0.000 0.844 210 D CB 2.425 43.222 40.800 -0.005 0.000 1.669 210 D HN -0.065 nan 8.370 nan 0.000 0.513 211 P HA -0.054 nan 4.420 nan 0.000 0.217 211 P C 1.614 178.935 177.300 0.034 0.000 1.151 211 P CA 0.508 63.636 63.100 0.048 0.000 0.828 211 P CB 0.623 32.365 31.700 0.070 0.000 0.788 212 V N -0.057 119.870 119.914 0.021 0.000 2.358 212 V HA -0.191 3.928 4.120 -0.001 0.000 0.246 212 V C 2.671 178.764 176.094 -0.002 0.000 1.047 212 V CA 1.407 63.716 62.300 0.014 0.000 1.035 212 V CB -1.280 30.550 31.823 0.011 0.000 0.658 212 V HN -0.043 nan 8.190 nan 0.000 0.452 213 L N 0.658 121.875 121.223 -0.011 0.000 2.046 213 L HA -0.124 4.216 4.340 -0.001 0.000 0.208 213 L C 2.633 179.477 176.870 -0.045 0.000 1.077 213 L CA 2.323 57.149 54.840 -0.024 0.000 0.747 213 L CB -1.426 40.619 42.059 -0.024 0.000 0.896 213 L HN 0.301 nan 8.230 nan 0.000 0.432 214 A N -0.800 121.985 122.820 -0.059 0.000 1.902 214 A HA -0.131 4.189 4.320 -0.001 0.000 0.217 214 A C 2.512 180.027 177.584 -0.114 0.000 1.181 214 A CA 1.725 53.693 52.037 -0.115 0.000 0.623 214 A CB -0.913 17.993 19.000 -0.156 0.000 0.818 214 A HN 0.389 nan 8.150 nan 0.000 0.443 215 A N -1.061 121.734 122.820 -0.043 0.000 1.883 215 A HA -0.249 4.071 4.320 -0.001 0.000 0.217 215 A C 2.113 179.678 177.584 -0.032 0.000 1.186 215 A CA 2.132 54.162 52.037 -0.011 0.000 0.624 215 A CB -0.551 18.468 19.000 0.032 0.000 0.822 215 A HN 0.494 nan 8.150 nan 0.000 0.444 216 Q N -0.371 119.412 119.800 -0.028 0.000 2.224 216 Q HA -0.047 4.292 4.340 -0.001 0.000 0.203 216 Q C 1.993 177.971 176.000 -0.037 0.000 0.970 216 Q CA 1.552 57.340 55.803 -0.025 0.000 0.865 216 Q CB -0.149 28.579 28.738 -0.017 0.000 0.922 216 Q HN 0.716 nan 8.270 nan 0.000 0.445 217 K N -0.293 120.071 120.400 -0.061 0.000 2.057 217 K HA -0.061 4.259 4.320 -0.001 0.000 0.206 217 K C 1.913 178.471 176.600 -0.069 0.000 1.050 217 K CA 1.130 57.379 56.287 -0.062 0.000 0.935 217 K CB -0.082 32.363 32.500 -0.091 0.000 0.715 217 K HN 0.230 nan 8.250 nan 0.000 0.439 218 I N 1.580 122.044 120.570 -0.176 0.000 2.202 218 I HA -0.278 3.892 4.170 -0.001 0.000 0.242 218 I C 2.004 178.091 176.117 -0.050 0.000 1.091 218 I CA 0.991 62.128 61.300 -0.272 0.000 1.368 218 I CB -0.385 37.294 38.000 -0.535 0.000 1.058 218 I HN 0.219 nan 8.210 nan 0.000 0.410 219 N N 0.902 119.580 118.700 -0.037 0.000 2.120 219 N HA -0.203 4.537 4.740 -0.001 0.000 0.188 219 N C 1.969 177.455 175.510 -0.040 0.000 1.024 219 N CA 1.210 54.248 53.050 -0.019 0.000 0.852 219 N CB -0.341 38.147 38.487 0.001 0.000 1.003 219 N HN 0.321 nan 8.380 nan 0.000 0.424 220 R N -0.136 120.353 120.500 -0.017 0.000 2.096 220 R HA -0.125 4.214 4.340 -0.001 0.000 0.235 220 R C 2.109 178.401 176.300 -0.013 0.000 1.127 220 R CA 1.022 57.112 56.100 -0.018 0.000 0.968 220 R CB -0.260 30.041 30.300 0.000 0.000 0.861 220 R HN 0.174 nan 8.270 nan 0.000 0.440 221 F N 0.220 120.103 119.950 -0.112 0.000 2.128 221 F HA -0.099 4.428 4.527 -0.001 0.000 0.295 221 F C 1.810 177.475 175.800 -0.225 0.000 1.100 221 F CA 1.102 59.026 58.000 -0.126 0.000 1.260 221 F CB -0.434 38.543 39.000 -0.038 0.000 1.009 221 F HN -0.234 nan 8.300 nan 0.000 0.476 222 V N 0.677 120.348 119.914 -0.405 0.000 2.295 222 V HA -0.296 3.824 4.120 -0.001 0.000 0.246 222 V C 2.550 178.277 176.094 -0.613 0.000 1.049 222 V CA 2.082 63.983 62.300 -0.666 0.000 1.024 222 V CB -0.850 30.628 31.823 -0.575 0.000 0.648 222 V HN 0.355 nan 8.190 nan 0.000 0.447 223 Q N -0.032 119.545 119.800 -0.371 0.000 2.077 223 Q HA -0.248 4.092 4.340 -0.001 0.000 0.206 223 Q C 2.366 178.161 176.000 -0.341 0.000 0.989 223 Q CA 2.404 58.035 55.803 -0.286 0.000 0.853 223 Q CB -0.685 27.957 28.738 -0.160 0.000 0.907 223 Q HN 0.643 nan 8.270 nan 0.000 0.418 224 A N 0.031 122.635 122.820 -0.360 0.000 1.851 224 A HA -0.181 4.139 4.320 -0.001 0.000 0.216 224 A C 2.219 179.543 177.584 -0.433 0.000 1.195 224 A CA 2.755 54.593 52.037 -0.332 0.000 0.622 224 A CB -1.054 17.781 19.000 -0.275 0.000 0.831 224 A HN 0.356 nan 8.150 nan 0.000 0.444 225 V N -2.064 117.438 119.914 -0.688 0.000 2.446 225 V HA -0.098 4.021 4.120 -0.001 0.000 0.244 225 V C 2.448 178.150 176.094 -0.653 0.000 1.039 225 V CA 2.447 64.333 62.300 -0.691 0.000 1.045 225 V CB -1.646 29.552 31.823 -1.042 0.000 0.681 225 V HN 0.694 nan 8.190 nan 0.000 0.459 226 T N -2.684 111.358 114.554 -0.853 0.000 2.896 226 T HA 0.298 4.647 4.350 -0.001 0.000 0.263 226 T C 2.005 176.182 174.700 -0.872 0.000 1.050 226 T CA 1.736 63.137 62.100 -1.165 0.000 1.140 226 T CB -0.030 67.688 68.868 -1.916 0.000 0.877 226 T HN 1.626 nan 8.240 nan 0.000 0.457 227 G N 0.569 109.044 108.800 -0.542 0.000 2.320 227 G HA2 -0.202 3.757 3.960 -0.001 0.000 0.242 227 G HA3 -0.202 3.757 3.960 -0.001 0.000 0.242 227 G C 0.010 174.848 174.900 -0.103 0.000 1.033 227 G CA 0.018 44.969 45.100 -0.247 0.000 0.620 227 G HN 0.568 nan 8.290 nan 0.000 0.517 228 W N 2.477 123.653 121.300 -0.206 0.000 2.303 228 W HA 0.562 5.221 4.660 -0.001 0.000 0.318 228 W C 0.750 177.177 176.519 -0.155 0.000 1.362 228 W CA -1.503 55.710 57.345 -0.220 0.000 1.234 228 W CB 0.109 29.396 29.460 -0.287 0.000 1.248 228 W HN 0.294 nan 8.180 nan 0.000 0.546 229 K N 4.521 124.973 120.400 0.086 0.000 2.349 229 K HA 0.192 4.512 4.320 -0.001 0.000 0.288 229 K C -0.334 176.319 176.600 0.088 0.000 1.058 229 K CA -0.057 56.257 56.287 0.046 0.000 0.953 229 K CB 0.343 32.856 32.500 0.022 0.000 0.997 229 K HN 0.289 nan 8.250 nan 0.000 0.477 230 M N 4.263 123.921 119.600 0.097 0.000 2.023 230 M HA 0.162 4.642 4.480 -0.001 0.000 0.325 230 M C -0.774 175.590 176.300 0.106 0.000 0.963 230 M CA -0.755 54.630 55.300 0.141 0.000 0.928 230 M CB 0.848 33.593 32.600 0.242 0.000 1.429 230 M HN 0.444 nan 8.290 nan 0.000 0.404 231 N N 4.247 122.996 118.700 0.081 0.000 2.400 231 N HA 0.216 4.956 4.740 -0.001 0.000 0.278 231 N C -0.995 174.561 175.510 0.076 0.000 1.247 231 N CA 0.339 53.428 53.050 0.064 0.000 0.970 231 N CB 0.066 38.581 38.487 0.046 0.000 1.312 231 N HN 0.586 nan 8.380 nan 0.000 0.488 232 L N 4.656 125.926 121.223 0.080 0.000 2.353 232 L HA 0.421 4.761 4.340 -0.001 0.000 0.270 232 L C -1.975 174.933 176.870 0.063 0.000 1.003 232 L CA -1.684 53.207 54.840 0.085 0.000 0.862 232 L CB 1.646 43.778 42.059 0.122 0.000 1.221 232 L HN 0.191 nan 8.230 nan 0.000 0.430 233 P HA 0.252 nan 4.420 nan 0.000 0.287 233 P C -0.536 176.788 177.300 0.040 0.000 1.294 233 P CA -0.370 62.754 63.100 0.041 0.000 0.776 233 P CB 1.166 32.886 31.700 0.033 0.000 0.889 234 L N 2.802 124.049 121.223 0.041 0.000 2.433 234 L HA 0.098 4.437 4.340 -0.001 0.000 0.275 234 L C 1.281 178.166 176.870 0.025 0.000 1.128 234 L CA 0.089 54.950 54.840 0.037 0.000 0.875 234 L CB 0.156 42.246 42.059 0.053 0.000 1.171 234 L HN 0.503 nan 8.230 nan 0.000 0.463 235 E N 4.090 124.299 120.200 0.016 0.000 2.614 235 E HA 0.193 4.542 4.350 -0.001 0.000 0.321 235 E C 0.706 177.311 176.600 0.007 0.000 1.354 235 E CA 0.178 56.584 56.400 0.010 0.000 1.469 235 E CB -0.105 29.599 29.700 0.007 0.000 1.197 235 E HN 0.829 nan 8.360 nan 0.000 0.497 236 G N -0.008 108.801 108.800 0.015 0.000 2.888 236 G HA2 -0.243 3.716 3.960 -0.001 0.000 0.441 236 G HA3 -0.243 3.716 3.960 -0.001 0.000 0.441 236 G C -0.662 174.252 174.900 0.025 0.000 1.461 236 G CA -0.375 44.736 45.100 0.019 0.000 0.897 236 G HN 0.422 nan 8.290 nan 0.000 0.547 237 V N -0.213 119.725 119.914 0.040 0.000 3.120 237 V HA 0.678 4.797 4.120 -0.001 0.000 0.303 237 V C 0.700 176.838 176.094 0.073 0.000 1.238 237 V CA 0.066 62.404 62.300 0.063 0.000 1.008 237 V CB 1.845 33.753 31.823 0.142 0.000 1.064 237 V HN 1.844 nan 8.190 nan 0.000 0.434 238 S N 1.445 117.194 115.700 0.082 0.000 2.589 238 S HA 0.198 4.667 4.470 -0.001 0.000 0.265 238 S C 0.778 175.445 174.600 0.111 0.000 1.342 238 S CA 0.937 59.188 58.200 0.084 0.000 1.005 238 S CB 1.224 64.471 63.200 0.079 0.000 0.909 238 S HN 1.076 nan 8.310 nan 0.000 0.555 239 T N 0.076 114.676 114.554 0.077 0.000 3.145 239 T HA 0.223 4.573 4.350 -0.001 0.000 0.281 239 T C 0.063 174.795 174.700 0.054 0.000 1.003 239 T CA 0.152 62.289 62.100 0.063 0.000 0.901 239 T CB -0.347 68.545 68.868 0.039 0.000 1.112 239 T HN 0.769 nan 8.240 nan 0.000 0.535 240 D N -0.081 120.359 120.400 0.066 0.000 2.563 240 D HA 0.186 4.826 4.640 -0.001 0.000 0.237 240 D C -0.144 176.203 176.300 0.078 0.000 1.282 240 D CA -0.283 53.750 54.000 0.055 0.000 0.816 240 D CB 0.120 40.944 40.800 0.039 0.000 1.066 240 D HN 0.144 nan 8.370 nan 0.000 0.501 241 S N 0.058 115.835 115.700 0.129 0.000 2.580 241 S HA 0.343 4.813 4.470 -0.001 0.000 0.274 241 S C 1.267 175.953 174.600 0.145 0.000 1.329 241 S CA -0.082 58.231 58.200 0.189 0.000 1.036 241 S CB 1.552 64.987 63.200 0.392 0.000 0.919 241 S HN 0.420 nan 8.310 nan 0.000 0.515 242 T N -0.669 113.970 114.554 0.141 0.000 3.040 242 T HA 0.366 4.715 4.350 -0.001 0.000 0.266 242 T C -0.039 174.737 174.700 0.127 0.000 1.005 242 T CA -0.258 61.896 62.100 0.090 0.000 0.906 242 T CB -0.048 68.849 68.868 0.049 0.000 1.082 242 T HN 0.402 nan 8.240 nan 0.000 0.531 243 L N 1.133 122.509 121.223 0.255 0.000 2.614 243 L HA 0.561 4.900 4.340 -0.001 0.000 0.264 243 L C -2.127 175.114 176.870 0.617 0.000 0.940 243 L CA -0.578 54.460 54.840 0.330 0.000 0.903 243 L CB 1.655 43.852 42.059 0.230 0.000 1.306 243 L HN 0.048 nan 8.230 nan 0.000 0.410 244 F N 4.566 124.679 119.950 0.272 0.000 2.458 244 F HA 0.511 5.038 4.527 -0.001 0.000 0.330 244 F C -0.253 175.811 175.800 0.439 0.000 1.082 244 F CA -1.029 57.179 58.000 0.346 0.000 0.995 244 F CB 1.754 40.962 39.000 0.347 0.000 1.170 244 F HN 0.330 nan 8.300 nan 0.000 0.478 245 F N 3.678 123.899 119.950 0.451 0.000 2.577 245 F HA 0.458 4.984 4.527 -0.001 0.000 0.344 245 F C -1.002 174.995 175.800 0.329 0.000 1.145 245 F CA -0.585 57.642 58.000 0.379 0.000 0.996 245 F CB 0.509 39.755 39.000 0.411 0.000 1.248 245 F HN 0.287 nan 8.300 nan 0.000 0.447 246 N N 3.547 122.383 118.700 0.225 0.000 2.442 246 N HA 0.315 5.054 4.740 -0.001 0.000 0.274 246 N C -1.030 174.489 175.510 0.015 0.000 1.002 246 N CA -0.535 52.616 53.050 0.169 0.000 0.910 246 N CB 2.012 40.722 38.487 0.373 0.000 1.244 246 N HN 0.355 nan 8.380 nan 0.000 0.492 247 T N 1.961 116.505 114.554 -0.017 0.000 2.806 247 T HA 0.371 4.720 4.350 -0.001 0.000 0.290 247 T C -0.549 174.064 174.700 -0.144 0.000 0.966 247 T CA -0.051 62.093 62.100 0.073 0.000 1.060 247 T CB 0.314 69.344 68.868 0.270 0.000 0.927 247 T HN 0.253 nan 8.240 nan 0.000 0.485 248 Y N 1.640 122.069 120.300 0.215 0.000 2.426 248 Y HA 0.465 5.015 4.550 -0.001 0.000 0.325 248 Y C -0.155 175.991 175.900 0.409 0.000 0.989 248 Y CA -1.002 57.285 58.100 0.312 0.000 1.284 248 Y CB 0.995 39.658 38.460 0.339 0.000 1.104 248 Y HN 0.355 nan 8.280 nan 0.000 0.481 249 V N 3.271 123.423 119.914 0.397 0.000 2.539 249 V HA 0.266 4.385 4.120 -0.001 0.000 0.292 249 V C -0.305 175.866 176.094 0.130 0.000 1.045 249 V CA -0.703 61.787 62.300 0.317 0.000 0.945 249 V CB 1.414 33.435 31.823 0.331 0.000 0.993 249 V HN 0.752 nan 8.190 nan 0.000 0.464 250 H N 4.719 123.635 119.070 -0.256 0.000 2.854 250 H HA 0.356 4.911 4.556 -0.001 0.000 0.275 250 H C -1.546 173.610 175.328 -0.287 0.000 1.198 250 H CA -0.649 55.015 56.048 -0.640 0.000 1.489 250 H CB 0.873 29.530 29.762 -1.841 0.000 1.519 250 H HN 0.619 nan 8.280 nan 0.000 0.503 251 F N 4.162 123.881 119.950 -0.385 0.000 2.384 251 F HA 0.280 4.806 4.527 -0.001 0.000 0.338 251 F C -0.565 174.876 175.800 -0.597 0.000 1.103 251 F CA -0.192 57.495 58.000 -0.521 0.000 1.157 251 F CB 1.282 39.787 39.000 -0.825 0.000 1.167 251 F HN 0.562 nan 8.300 nan 0.000 0.529 252 Q N 4.462 123.405 119.800 -1.428 0.000 2.295 252 Q HA 0.430 4.770 4.340 -0.001 0.000 0.259 252 Q C -1.203 174.117 176.000 -1.132 0.000 0.966 252 Q CA -0.695 54.501 55.803 -1.012 0.000 0.763 252 Q CB 1.617 29.930 28.738 -0.708 0.000 1.283 252 Q HN 0.989 nan 8.270 nan 0.000 0.445 253 G N 3.869 112.194 108.800 -0.793 0.000 2.716 253 G HA2 0.279 4.238 3.960 -0.001 0.000 0.333 253 G HA3 0.279 4.238 3.960 -0.001 0.000 0.333 253 G C -0.679 174.102 174.900 -0.199 0.000 1.168 253 G CA -0.479 44.370 45.100 -0.419 0.000 1.064 253 G HN 0.470 nan 8.290 nan 0.000 0.479 254 K N 3.178 123.469 120.400 -0.182 0.000 2.338 254 K HA 0.199 4.519 4.320 -0.001 0.000 0.290 254 K C 0.572 177.145 176.600 -0.045 0.000 1.069 254 K CA 0.107 56.338 56.287 -0.094 0.000 0.941 254 K CB 0.906 33.358 32.500 -0.080 0.000 1.023 254 K HN 0.614 nan 8.250 nan 0.000 0.477 255 M N 2.046 121.632 119.600 -0.024 0.000 2.113 255 M HA 0.362 4.842 4.480 -0.001 0.000 0.352 255 M C -0.082 176.308 176.300 0.149 0.000 1.170 255 M CA -0.722 54.586 55.300 0.013 0.000 1.053 255 M CB 1.234 33.745 32.600 -0.149 0.000 1.601 255 M HN 0.349 nan 8.290 nan 0.000 0.459 256 R N 2.060 122.660 120.500 0.168 0.000 2.643 256 R HA 0.366 4.705 4.340 -0.001 0.000 0.270 256 R C 1.054 177.541 176.300 0.313 0.000 1.061 256 R CA 1.806 58.020 56.100 0.190 0.000 1.107 256 R CB 0.346 30.729 30.300 0.138 0.000 0.999 256 R HN 1.064 nan 8.270 nan 0.000 0.460 257 G N 2.844 111.770 108.800 0.210 0.000 2.299 257 G HA2 -0.303 3.657 3.960 -0.001 0.000 0.237 257 G HA3 -0.303 3.657 3.960 -0.001 0.000 0.237 257 G C -0.041 174.880 174.900 0.035 0.000 1.027 257 G CA 0.076 45.252 45.100 0.127 0.000 0.619 257 G HN 0.515 nan 8.290 nan 0.000 0.513 258 F N 2.125 122.125 119.950 0.083 0.000 2.379 258 F HA 0.638 5.165 4.527 -0.001 0.000 0.332 258 F C 0.905 176.727 175.800 0.037 0.000 1.096 258 F CA 0.191 58.227 58.000 0.061 0.000 1.105 258 F CB 2.071 41.096 39.000 0.043 0.000 1.189 258 F HN 0.395 nan 8.300 nan 0.000 0.515 259 S N 1.156 116.967 115.700 0.184 0.000 2.579 259 S HA 0.436 4.905 4.470 -0.001 0.000 0.272 259 S C -1.146 173.518 174.600 0.107 0.000 1.141 259 S CA -1.144 57.125 58.200 0.115 0.000 0.843 259 S CB 1.699 64.937 63.200 0.064 0.000 1.122 259 S HN 0.579 nan 8.310 nan 0.000 0.468 260 Q N 0.830 120.681 119.800 0.084 0.000 2.337 260 Q HA 0.442 4.782 4.340 -0.001 0.000 0.270 260 Q C -1.218 174.833 176.000 0.084 0.000 1.002 260 Q CA 0.101 55.954 55.803 0.082 0.000 0.888 260 Q CB 0.356 29.133 28.738 0.064 0.000 1.222 260 Q HN 0.698 nan 8.270 nan 0.000 0.400 261 L N 4.170 125.459 121.223 0.110 0.000 2.257 261 L HA 0.354 4.694 4.340 -0.001 0.000 0.290 261 L C 0.106 177.084 176.870 0.180 0.000 1.044 261 L CA -0.890 54.035 54.840 0.141 0.000 0.810 261 L CB 1.097 43.241 42.059 0.142 0.000 1.193 261 L HN 0.790 nan 8.230 nan 0.000 0.425 262 T N 0.385 115.011 114.554 0.120 0.000 2.928 262 T HA 0.478 4.827 4.350 -0.001 0.000 0.305 262 T C 0.556 175.293 174.700 0.061 0.000 1.035 262 T CA 0.110 62.256 62.100 0.077 0.000 1.145 262 T CB 1.065 69.963 68.868 0.049 0.000 0.963 262 T HN 1.033 nan 8.240 nan 0.000 0.545 263 G N 2.042 110.833 108.800 -0.015 0.000 2.692 263 G HA2 -0.023 3.936 3.960 -0.001 0.000 0.686 263 G HA3 -0.023 3.936 3.960 -0.001 0.000 0.686 263 G C -0.725 173.985 174.900 -0.316 0.000 1.243 263 G CA -0.748 44.267 45.100 -0.141 0.000 0.782 263 G HN 0.946 nan 8.290 nan 0.000 0.625 264 L N 2.025 123.052 121.223 -0.326 0.000 2.421 264 L HA 0.695 5.035 4.340 -0.001 0.000 0.263 264 L C 0.558 177.103 176.870 -0.543 0.000 1.122 264 L CA -0.991 53.678 54.840 -0.285 0.000 0.804 264 L CB 1.260 43.263 42.059 -0.092 0.000 1.150 264 L HN 0.665 nan 8.230 nan 0.000 0.457 265 H N -0.051 119.066 119.070 0.079 0.000 2.851 265 H HA 0.295 4.851 4.556 -0.001 0.000 0.372 265 H C -1.075 174.334 175.328 0.135 0.000 1.158 265 H CA -0.765 55.339 56.048 0.094 0.000 1.159 265 H CB 1.950 31.766 29.762 0.090 0.000 1.757 265 H HN 0.549 nan 8.280 nan 0.000 0.546 266 E N 1.739 122.090 120.200 0.251 0.000 2.299 266 E HA 0.077 4.427 4.350 -0.001 0.000 0.272 266 E C -0.900 175.881 176.600 0.302 0.000 1.043 266 E CA 0.154 56.696 56.400 0.237 0.000 0.895 266 E CB 0.851 30.663 29.700 0.186 0.000 1.011 266 E HN 0.221 nan 8.360 nan 0.000 0.432 267 F N 4.110 124.166 119.950 0.177 0.000 2.458 267 F HA 0.245 4.772 4.527 -0.001 0.000 0.336 267 F C -0.780 175.166 175.800 0.244 0.000 1.114 267 F CA -0.850 57.269 58.000 0.198 0.000 0.987 267 F CB 0.943 40.038 39.000 0.159 0.000 1.130 267 F HN 0.508 nan 8.300 nan 0.000 0.458 268 W N 8.471 129.529 121.300 -0.403 0.000 2.367 268 W HA 0.359 5.019 4.660 -0.001 0.000 0.329 268 W C -0.632 175.801 176.519 -0.144 0.000 1.066 268 W CA -0.627 56.595 57.345 -0.204 0.000 1.435 268 W CB 1.286 30.619 29.460 -0.212 0.000 1.296 268 W HN 0.448 nan 8.180 nan 0.000 0.401 269 V N 4.342 123.977 119.914 -0.465 0.000 2.331 269 V HA -0.037 4.083 4.120 -0.001 0.000 0.242 269 V C 0.599 176.361 176.094 -0.554 0.000 1.034 269 V CA 1.629 63.754 62.300 -0.292 0.000 1.027 269 V CB -0.337 31.415 31.823 -0.118 0.000 0.667 269 V HN 0.517 nan 8.190 nan 0.000 0.457 270 D N -2.388 117.452 120.400 -0.932 0.000 2.599 270 D HA 0.175 4.814 4.640 -0.001 0.000 0.252 270 D C 0.126 175.985 176.300 -0.735 0.000 1.232 270 D CA -0.532 53.087 54.000 -0.635 0.000 0.819 270 D CB 1.746 42.366 40.800 -0.300 0.000 1.401 270 D HN -0.157 nan 8.370 nan 0.000 0.429 271 N N -0.231 118.389 118.700 -0.134 0.000 2.182 271 N HA -0.199 4.540 4.740 -0.001 0.000 0.192 271 N C 1.369 177.013 175.510 0.223 0.000 1.007 271 N CA 2.260 55.456 53.050 0.243 0.000 0.873 271 N CB 0.123 38.709 38.487 0.167 0.000 0.998 271 N HN 0.335 nan 8.380 nan 0.000 0.436 272 S N -3.146 112.550 115.700 -0.008 0.000 2.603 272 S HA 0.190 4.660 4.470 -0.001 0.000 0.232 272 S C 0.247 174.817 174.600 -0.050 0.000 1.016 272 S CA -0.122 58.098 58.200 0.034 0.000 0.976 272 S CB 0.141 63.354 63.200 0.022 0.000 0.921 272 S HN 0.220 nan 8.310 nan 0.000 0.516 273 T N 0.182 114.580 114.554 -0.259 0.000 2.909 273 T HA 0.783 5.133 4.350 -0.001 0.000 0.299 273 T C -0.691 173.772 174.700 -0.394 0.000 1.073 273 T CA -0.284 61.681 62.100 -0.225 0.000 0.999 273 T CB 1.895 70.667 68.868 -0.160 0.000 1.098 273 T HN 0.587 nan 8.240 nan 0.000 0.477 274 S N 0.227 115.848 115.700 -0.132 0.000 2.596 274 S HA 0.867 5.336 4.470 -0.001 0.000 0.270 274 S C -0.905 173.738 174.600 0.073 0.000 1.155 274 S CA -0.440 57.745 58.200 -0.024 0.000 0.827 274 S CB 1.350 64.676 63.200 0.210 0.000 1.130 274 S HN 1.963 nan 8.310 nan 0.000 0.467 275 V N -1.010 118.989 119.914 0.142 0.000 3.049 275 V HA 0.938 5.057 4.120 -0.001 0.000 0.309 275 V C -0.398 175.796 176.094 0.166 0.000 1.148 275 V CA -0.552 61.823 62.300 0.126 0.000 0.990 275 V CB 1.468 33.344 31.823 0.089 0.000 1.039 275 V HN 1.402 nan 8.190 nan 0.000 0.430 276 S N 1.983 117.751 115.700 0.114 0.000 2.422 276 S HA 0.866 5.336 4.470 -0.001 0.000 0.308 276 S C -0.325 174.321 174.600 0.076 0.000 1.097 276 S CA -0.203 58.061 58.200 0.108 0.000 1.099 276 S CB 0.780 64.017 63.200 0.062 0.000 0.976 276 S HN 2.152 nan 8.310 nan 0.000 0.471 277 V N -0.927 119.048 119.914 0.103 0.000 3.078 277 V HA 0.818 4.938 4.120 -0.001 0.000 0.311 277 V C -3.038 173.115 176.094 0.098 0.000 1.138 277 V CA -2.987 59.352 62.300 0.066 0.000 1.007 277 V CB 1.798 33.638 31.823 0.028 0.000 1.045 277 V HN 0.667 nan 8.190 nan 0.000 0.432 278 P HA 0.334 nan 4.420 nan 0.000 0.276 278 P C -0.986 176.402 177.300 0.146 0.000 1.230 278 P CA 0.031 63.200 63.100 0.115 0.000 0.776 278 P CB 0.741 32.478 31.700 0.062 0.000 0.888 279 M N 3.500 123.235 119.600 0.226 0.000 2.436 279 M HA 0.377 4.857 4.480 -0.001 0.000 0.331 279 M C 0.186 176.554 176.300 0.114 0.000 1.135 279 M CA -1.026 54.360 55.300 0.144 0.000 0.987 279 M CB 1.520 34.182 32.600 0.104 0.000 1.687 279 M HN 0.198 nan 8.290 nan 0.000 0.445 280 L N 0.311 121.593 121.223 0.099 0.000 2.358 280 L HA 0.966 5.305 4.340 -0.001 0.000 0.268 280 L C -0.015 176.980 176.870 0.209 0.000 1.032 280 L CA -0.335 54.588 54.840 0.138 0.000 0.805 280 L CB 1.536 43.674 42.059 0.131 0.000 1.253 280 L HN 0.742 nan 8.230 nan 0.000 0.452 281 S N -0.502 115.355 115.700 0.261 0.000 2.535 281 S HA 0.875 5.345 4.470 -0.001 0.000 0.272 281 S C -0.849 173.700 174.600 -0.085 0.000 1.149 281 S CA 0.065 58.373 58.200 0.179 0.000 0.888 281 S CB 1.331 64.553 63.200 0.036 0.000 1.110 281 S HN 1.404 nan 8.310 nan 0.000 0.463 282 G N 2.188 110.636 108.800 -0.586 0.000 2.760 282 G HA2 0.539 4.498 3.960 -0.001 0.000 0.296 282 G HA3 0.539 4.498 3.960 -0.001 0.000 0.296 282 G C -0.971 173.616 174.900 -0.522 0.000 1.427 282 G CA -0.433 44.133 45.100 -0.890 0.000 1.109 282 G HN 0.697 nan 8.290 nan 0.000 0.553 283 T N 0.355 114.740 114.554 -0.282 0.000 2.909 283 T HA 0.796 5.146 4.350 -0.001 0.000 0.289 283 T C 0.579 175.097 174.700 -0.303 0.000 1.005 283 T CA 0.558 62.543 62.100 -0.191 0.000 1.084 283 T CB 1.570 70.350 68.868 -0.147 0.000 0.975 283 T HN 1.498 nan 8.240 nan 0.000 0.509 284 G N 1.233 109.734 108.800 -0.498 0.000 2.338 284 G HA2 0.236 4.195 3.960 -0.001 0.000 0.295 284 G HA3 0.236 4.195 3.960 -0.001 0.000 0.295 284 G C -1.520 172.804 174.900 -0.959 0.000 1.461 284 G CA -1.003 43.588 45.100 -0.849 0.000 0.817 284 G HN 0.523 nan 8.290 nan 0.000 0.556 285 N N 0.953 119.247 118.700 -0.677 0.000 2.807 285 N HA 0.315 5.055 4.740 -0.001 0.000 0.259 285 N C -0.701 174.643 175.510 -0.276 0.000 1.149 285 N CA 0.354 53.187 53.050 -0.361 0.000 1.042 285 N CB 0.026 38.416 38.487 -0.162 0.000 1.367 285 N HN 0.284 nan 8.380 nan 0.000 0.516 286 F N 0.110 120.120 119.950 0.100 0.000 2.450 286 F HA 0.316 4.843 4.527 -0.001 0.000 0.328 286 F C 1.082 176.987 175.800 0.176 0.000 1.068 286 F CA -1.163 56.925 58.000 0.146 0.000 1.007 286 F CB 1.237 40.336 39.000 0.165 0.000 1.251 286 F HN -0.019 nan 8.300 nan 0.000 0.492 287 Q N 0.913 120.975 119.800 0.436 0.000 2.303 287 Q HA 0.297 4.637 4.340 -0.001 0.000 0.257 287 Q C -1.351 174.924 176.000 0.459 0.000 0.941 287 Q CA -0.384 55.663 55.803 0.406 0.000 0.931 287 Q CB 1.524 30.500 28.738 0.398 0.000 1.215 287 Q HN 0.565 nan 8.270 nan 0.000 0.437 288 H N 2.474 121.749 119.070 0.342 0.000 2.771 288 H HA 0.568 5.123 4.556 -0.001 0.000 0.361 288 H C -1.700 173.833 175.328 0.341 0.000 1.108 288 H CA -0.725 55.454 56.048 0.217 0.000 1.201 288 H CB 1.035 30.876 29.762 0.131 0.000 1.681 288 H HN 0.723 nan 8.280 nan 0.000 0.534 289 W N 2.220 123.343 121.300 -0.296 0.000 3.018 289 W HA 0.774 5.433 4.660 -0.001 0.000 0.352 289 W C -1.892 174.484 176.519 -0.240 0.000 1.230 289 W CA -1.025 56.240 57.345 -0.135 0.000 1.162 289 W CB 0.959 30.390 29.460 -0.048 0.000 1.483 289 W HN 0.526 nan 8.180 nan 0.000 0.584 290 S N 1.039 116.788 115.700 0.082 0.000 2.672 290 S HA 0.209 4.679 4.470 -0.001 0.000 0.291 290 S C -1.690 172.877 174.600 -0.055 0.000 1.145 290 S CA -0.589 57.559 58.200 -0.087 0.000 1.013 290 S CB 1.320 64.507 63.200 -0.023 0.000 1.017 290 S HN 0.490 nan 8.310 nan 0.000 0.487 291 D N 2.271 122.472 120.400 -0.333 0.000 2.339 291 D HA 0.510 5.149 4.640 -0.001 0.000 0.256 291 D C 0.942 177.065 176.300 -0.295 0.000 1.214 291 D CA -0.171 53.597 54.000 -0.387 0.000 0.877 291 D CB 0.923 41.146 40.800 -0.962 0.000 1.111 291 D HN 0.518 nan 8.370 nan 0.000 0.478 292 A N 3.702 126.442 122.820 -0.133 0.000 1.898 292 A HA -0.145 4.175 4.320 -0.001 0.000 0.214 292 A C 1.925 179.469 177.584 -0.066 0.000 1.183 292 A CA 1.171 53.160 52.037 -0.081 0.000 0.622 292 A CB -0.601 18.375 19.000 -0.040 0.000 0.824 292 A HN 0.658 nan 8.150 nan 0.000 0.444 293 Q N 0.686 120.452 119.800 -0.057 0.000 2.096 293 Q HA -0.189 4.151 4.340 -0.001 0.000 0.208 293 Q C 0.663 176.662 176.000 -0.001 0.000 0.993 293 Q CA 2.336 58.128 55.803 -0.019 0.000 0.862 293 Q CB -0.186 28.553 28.738 0.002 0.000 0.915 293 Q HN 0.618 nan 8.270 nan 0.000 0.416 294 N N -0.394 118.297 118.700 -0.015 0.000 2.241 294 N HA 0.100 4.840 4.740 -0.001 0.000 0.238 294 N C -0.980 174.589 175.510 0.098 0.000 1.244 294 N CA 0.055 53.154 53.050 0.081 0.000 0.880 294 N CB 0.582 39.212 38.487 0.238 0.000 1.179 294 N HN 0.216 nan 8.380 nan 0.000 0.513 295 N N 1.265 119.945 118.700 -0.033 0.000 2.641 295 N HA -0.196 4.543 4.740 -0.001 0.000 0.267 295 N C -1.095 174.473 175.510 0.096 0.000 1.087 295 N CA 0.994 54.039 53.050 -0.008 0.000 0.731 295 N CB -1.243 37.261 38.487 0.028 0.000 0.886 295 N HN 0.426 nan 8.380 nan 0.000 0.547 296 F N -2.242 117.685 119.950 -0.039 0.000 2.779 296 F HA 0.740 5.267 4.527 -0.001 0.000 0.316 296 F C -0.664 175.076 175.800 -0.100 0.000 1.164 296 F CA -1.036 56.919 58.000 -0.075 0.000 0.924 296 F CB 1.020 39.948 39.000 -0.121 0.000 1.348 296 F HN 0.017 nan 8.300 nan 0.000 0.467 297 S N 0.693 116.450 115.700 0.094 0.000 2.547 297 S HA 0.814 5.283 4.470 -0.001 0.000 0.281 297 S C -1.567 172.873 174.600 -0.267 0.000 1.118 297 S CA -0.690 57.397 58.200 -0.190 0.000 0.947 297 S CB 1.388 64.510 63.200 -0.130 0.000 1.053 297 S HN 0.788 nan 8.310 nan 0.000 0.482 298 V N 2.321 121.790 119.914 -0.743 0.000 2.612 298 V HA 0.705 4.825 4.120 -0.001 0.000 0.301 298 V C -0.046 175.567 176.094 -0.802 0.000 1.046 298 V CA -0.410 61.428 62.300 -0.771 0.000 0.946 298 V CB 1.941 33.010 31.823 -1.257 0.000 1.003 298 V HN 1.067 nan 8.190 nan 0.000 0.459 299 T N 4.301 118.657 114.554 -0.330 0.000 2.841 299 T HA 0.471 4.820 4.350 -0.001 0.000 0.285 299 T C -0.467 174.219 174.700 -0.023 0.000 0.991 299 T CA -0.538 61.527 62.100 -0.058 0.000 0.966 299 T CB 1.204 70.144 68.868 0.121 0.000 0.962 299 T HN 0.600 nan 8.240 nan 0.000 0.438 300 R N 2.811 123.359 120.500 0.080 0.000 2.310 300 R HA 0.646 4.986 4.340 -0.001 0.000 0.324 300 R C -1.457 174.915 176.300 0.121 0.000 0.955 300 R CA -0.459 55.727 56.100 0.144 0.000 0.830 300 R CB 0.788 31.265 30.300 0.294 0.000 1.154 300 R HN 0.438 nan 8.270 nan 0.000 0.458 301 V N 6.800 126.721 119.914 0.011 0.000 2.448 301 V HA 0.399 4.519 4.120 -0.001 0.000 0.295 301 V C -2.137 174.013 176.094 0.092 0.000 1.025 301 V CA -2.025 60.219 62.300 -0.092 0.000 0.859 301 V CB 1.788 33.391 31.823 -0.367 0.000 0.988 301 V HN 0.756 nan 8.190 nan 0.000 0.431 302 P HA 0.265 nan 4.420 nan 0.000 0.281 302 P C 0.559 177.956 177.300 0.163 0.000 1.286 302 P CA -0.063 63.156 63.100 0.198 0.000 0.772 302 P CB 1.241 33.080 31.700 0.231 0.000 0.862 303 L N 2.069 123.360 121.223 0.114 0.000 2.179 303 L HA 0.184 4.523 4.340 -0.001 0.000 0.208 303 L C 1.487 178.413 176.870 0.093 0.000 1.096 303 L CA 1.241 56.136 54.840 0.092 0.000 0.779 303 L CB -0.333 41.781 42.059 0.092 0.000 0.922 303 L HN 0.530 nan 8.230 nan 0.000 0.443 304 G N -1.417 107.440 108.800 0.094 0.000 2.706 304 G HA2 0.169 4.128 3.960 -0.001 0.000 0.307 304 G HA3 0.169 4.128 3.960 -0.001 0.000 0.307 304 G C 0.205 175.154 174.900 0.080 0.000 1.307 304 G CA 0.091 45.238 45.100 0.077 0.000 0.790 304 G HN 0.089 nan 8.290 nan 0.000 0.503 305 E N -0.730 119.507 120.200 0.062 0.000 2.219 305 E HA -0.181 4.168 4.350 -0.001 0.000 0.198 305 E C 1.737 178.373 176.600 0.060 0.000 0.998 305 E CA 2.166 58.602 56.400 0.059 0.000 0.818 305 E CB -0.116 29.609 29.700 0.043 0.000 0.741 305 E HN 0.424 nan 8.360 nan 0.000 0.477 306 S N -0.225 115.506 115.700 0.052 0.000 2.663 306 S HA 0.191 4.660 4.470 -0.001 0.000 0.247 306 S C 0.705 175.336 174.600 0.053 0.000 1.074 306 S CA -0.370 57.858 58.200 0.046 0.000 0.955 306 S CB 0.295 63.505 63.200 0.017 0.000 0.901 306 S HN 0.043 nan 8.310 nan 0.000 0.505 307 V N 2.659 122.606 119.914 0.056 0.000 2.649 307 V HA 0.522 4.642 4.120 -0.001 0.000 0.292 307 V C -0.023 176.143 176.094 0.119 0.000 1.055 307 V CA 0.164 62.504 62.300 0.067 0.000 1.023 307 V CB 1.257 33.114 31.823 0.057 0.000 0.992 307 V HN 0.419 nan 8.190 nan 0.000 0.480 308 T N 5.022 119.673 114.554 0.162 0.000 2.881 308 T HA 0.450 4.799 4.350 -0.001 0.000 0.290 308 T C -0.933 173.873 174.700 0.176 0.000 1.000 308 T CA -0.353 61.859 62.100 0.187 0.000 0.978 308 T CB 1.331 70.351 68.868 0.253 0.000 0.997 308 T HN 0.477 nan 8.240 nan 0.000 0.443 309 L N 5.504 126.797 121.223 0.117 0.000 2.260 309 L HA 0.586 4.926 4.340 -0.001 0.000 0.289 309 L C -1.127 175.818 176.870 0.126 0.000 1.057 309 L CA -0.202 54.699 54.840 0.103 0.000 0.811 309 L CB -0.002 42.063 42.059 0.011 0.000 1.184 309 L HN 0.574 nan 8.230 nan 0.000 0.429 310 L N 6.474 127.815 121.223 0.198 0.000 2.289 310 L HA 0.467 4.807 4.340 -0.001 0.000 0.285 310 L C -0.645 176.358 176.870 0.221 0.000 1.049 310 L CA -0.308 54.654 54.840 0.203 0.000 0.804 310 L CB 1.160 43.386 42.059 0.279 0.000 1.195 310 L HN 0.549 nan 8.230 nan 0.000 0.428 311 L N 5.267 126.572 121.223 0.137 0.000 2.343 311 L HA 0.527 4.866 4.340 -0.001 0.000 0.278 311 L C -0.940 175.980 176.870 0.084 0.000 0.996 311 L CA -0.492 54.445 54.840 0.162 0.000 0.831 311 L CB 1.829 43.923 42.059 0.058 0.000 1.232 311 L HN 0.429 nan 8.230 nan 0.000 0.413 312 I N 3.223 123.862 120.570 0.115 0.000 2.378 312 I HA 0.356 4.525 4.170 -0.001 0.000 0.291 312 I C -0.270 175.883 176.117 0.060 0.000 0.992 312 I CA -0.257 61.038 61.300 -0.007 0.000 1.154 312 I CB 1.868 39.731 38.000 -0.228 0.000 1.315 312 I HN 0.551 nan 8.210 nan 0.000 0.448 313 Q N 6.756 126.592 119.800 0.059 0.000 2.337 313 Q HA 0.664 5.003 4.340 -0.001 0.000 0.270 313 Q C -2.901 173.148 176.000 0.082 0.000 1.043 313 Q CA -2.036 53.823 55.803 0.095 0.000 0.794 313 Q CB 2.575 31.373 28.738 0.100 0.000 1.281 313 Q HN 0.279 nan 8.270 nan 0.000 0.446 314 P HA -0.046 nan 4.420 nan 0.000 0.277 314 P C 0.036 177.382 177.300 0.075 0.000 1.240 314 P CA -0.176 62.970 63.100 0.076 0.000 0.798 314 P CB 1.449 33.164 31.700 0.026 0.000 0.979 315 Q N 0.912 120.758 119.800 0.077 0.000 2.062 315 Q HA -0.168 4.171 4.340 -0.001 0.000 0.209 315 Q C 0.159 176.179 176.000 0.034 0.000 0.996 315 Q CA 1.866 57.697 55.803 0.047 0.000 0.859 315 Q CB -0.186 28.574 28.738 0.036 0.000 0.920 315 Q HN 0.697 nan 8.270 nan 0.000 0.415 316 C N -2.546 116.775 119.300 0.035 0.000 2.563 316 C HA 0.812 5.272 4.460 -0.001 0.000 0.314 316 C C 1.021 176.037 174.990 0.043 0.000 1.199 316 C CA -0.639 58.398 59.018 0.031 0.000 1.564 316 C CB 0.938 28.692 27.740 0.023 0.000 2.173 316 C HN 0.387 nan 8.230 nan 0.000 0.485 317 A N 1.865 124.721 122.820 0.061 0.000 2.248 317 A HA 0.028 4.348 4.320 -0.001 0.000 0.210 317 A C 1.977 179.597 177.584 0.059 0.000 1.174 317 A CA 1.467 53.548 52.037 0.074 0.000 0.750 317 A CB -0.711 18.364 19.000 0.125 0.000 0.780 317 A HN 1.413 nan 8.150 nan 0.000 0.478 318 S N 0.189 115.919 115.700 0.050 0.000 2.561 318 S HA -0.040 4.430 4.470 -0.001 0.000 0.225 318 S C 0.538 175.148 174.600 0.017 0.000 0.977 318 S CA 0.628 58.850 58.200 0.038 0.000 0.926 318 S CB -0.110 63.112 63.200 0.037 0.000 0.769 318 S HN 0.706 nan 8.310 nan 0.000 0.533 319 D N 0.052 120.457 120.400 0.009 0.000 2.908 319 D HA 0.143 4.783 4.640 -0.001 0.000 0.361 319 D C 0.735 177.014 176.300 -0.035 0.000 1.416 319 D CA -0.508 53.486 54.000 -0.011 0.000 0.796 319 D CB -0.256 40.541 40.800 -0.005 0.000 1.185 319 D HN 0.255 nan 8.370 nan 0.000 0.451 320 L N 0.888 122.091 121.223 -0.033 0.000 2.141 320 L HA -0.040 4.300 4.340 -0.001 0.000 0.209 320 L C 1.352 178.163 176.870 -0.098 0.000 1.094 320 L CA 1.830 56.630 54.840 -0.067 0.000 0.763 320 L CB -0.213 41.828 42.059 -0.031 0.000 0.908 320 L HN -0.093 nan 8.230 nan 0.000 0.437 321 D N -0.617 119.742 120.400 -0.068 0.000 2.117 321 D HA -0.209 4.431 4.640 -0.001 0.000 0.197 321 D C 2.200 178.439 176.300 -0.101 0.000 0.987 321 D CA 1.072 55.028 54.000 -0.073 0.000 0.829 321 D CB -0.127 40.644 40.800 -0.050 0.000 0.961 321 D HN 0.350 nan 8.370 nan 0.000 0.460 322 R N 0.659 121.103 120.500 -0.093 0.000 2.090 322 R HA -0.054 4.285 4.340 -0.001 0.000 0.228 322 R C 2.155 178.359 176.300 -0.160 0.000 1.110 322 R CA 0.597 56.638 56.100 -0.099 0.000 0.973 322 R CB -0.024 30.242 30.300 -0.057 0.000 0.869 322 R HN 0.009 nan 8.270 nan 0.000 0.440 323 V N 1.103 120.896 119.914 -0.200 0.000 2.358 323 V HA -0.213 3.907 4.120 -0.001 0.000 0.246 323 V C 2.293 178.076 176.094 -0.518 0.000 1.047 323 V CA 2.060 64.149 62.300 -0.351 0.000 1.035 323 V CB -0.526 31.064 31.823 -0.389 0.000 0.658 323 V HN 0.454 nan 8.190 nan 0.000 0.452 324 E N 0.259 120.198 120.200 -0.434 0.000 2.070 324 E HA -0.226 4.123 4.350 -0.001 0.000 0.197 324 E C 2.180 178.564 176.600 -0.360 0.000 1.004 324 E CA 1.961 58.088 56.400 -0.455 0.000 0.805 324 E CB -0.084 29.499 29.700 -0.196 0.000 0.744 324 E HN 0.412 nan 8.360 nan 0.000 0.451 325 V N 1.014 120.767 119.914 -0.267 0.000 2.407 325 V HA -0.237 3.882 4.120 -0.001 0.000 0.248 325 V C 2.343 178.139 176.094 -0.498 0.000 1.055 325 V CA 1.328 63.459 62.300 -0.282 0.000 1.049 325 V CB -0.401 31.305 31.823 -0.196 0.000 0.662 325 V HN 0.334 nan 8.190 nan 0.000 0.455 326 L N 0.170 121.123 121.223 -0.450 0.000 2.240 326 L HA -0.003 4.336 4.340 -0.001 0.000 0.211 326 L C 2.189 178.754 176.870 -0.509 0.000 1.106 326 L CA 1.964 56.552 54.840 -0.419 0.000 0.793 326 L CB -0.092 41.846 42.059 -0.202 0.000 0.927 326 L HN 0.352 nan 8.230 nan 0.000 0.446 327 V N -5.089 114.372 119.914 -0.755 0.000 2.627 327 V HA 0.045 4.164 4.120 -0.001 0.000 0.239 327 V C 2.170 177.828 176.094 -0.726 0.000 1.077 327 V CA 0.612 62.223 62.300 -1.149 0.000 1.103 327 V CB -1.067 29.662 31.823 -1.823 0.000 0.802 327 V HN 0.189 nan 8.190 nan 0.000 0.482 328 F N 0.971 120.577 119.950 -0.573 0.000 2.074 328 F HA -0.048 4.479 4.527 -0.000 0.000 0.290 328 F C 3.025 178.598 175.800 -0.378 0.000 1.118 328 F CA 1.587 59.382 58.000 -0.342 0.000 1.199 328 F CB -0.364 38.407 39.000 -0.381 0.000 1.012 328 F HN 0.088 nan 8.300 nan 0.000 0.472 329 Q N -0.361 119.384 119.800 -0.091 0.000 2.217 329 Q HA -0.196 4.143 4.340 -0.001 0.000 0.209 329 Q C 0.001 175.841 176.000 -0.267 0.000 0.988 329 Q CA 0.974 56.715 55.803 -0.103 0.000 0.878 329 Q CB -0.411 28.241 28.738 -0.143 0.000 0.909 329 Q HN 0.370 nan 8.270 nan 0.000 0.424 330 H N 0.336 119.067 119.070 -0.565 0.000 2.562 330 H HA -0.005 4.550 4.556 -0.001 0.000 0.352 330 H C 0.572 175.098 175.328 -1.337 0.000 1.125 330 H CA -0.193 55.289 56.048 -0.942 0.000 1.379 330 H CB 1.032 30.021 29.762 -1.288 0.000 1.464 330 H HN 0.258 nan 8.280 nan 0.000 0.563 331 D N 1.511 121.284 120.400 -1.045 0.000 2.178 331 D HA -0.131 4.508 4.640 -0.001 0.000 0.202 331 D C 0.183 176.174 176.300 -0.514 0.000 0.974 331 D CA 0.567 54.053 54.000 -0.857 0.000 0.841 331 D CB -0.550 39.710 40.800 -0.899 0.000 0.953 331 D HN 0.362 nan 8.370 nan 0.000 0.478 332 F N 0.160 120.030 119.950 -0.134 0.000 2.543 332 F HA 0.312 4.838 4.527 -0.001 0.000 0.375 332 F C 0.545 176.370 175.800 0.042 0.000 1.075 332 F CA -0.880 57.124 58.000 0.007 0.000 1.225 332 F CB 0.319 39.342 39.000 0.038 0.000 1.099 332 F HN -0.215 nan 8.300 nan 0.000 0.561 333 L N 3.482 124.736 121.223 0.051 0.000 3.036 333 L HA 0.109 4.448 4.340 -0.001 0.000 0.237 333 L C 1.501 178.118 176.870 -0.422 0.000 1.319 333 L CA -0.016 54.553 54.840 -0.451 0.000 1.112 333 L CB -0.538 41.307 42.059 -0.357 0.000 1.480 333 L HN 0.981 nan 8.230 nan 0.000 0.506 334 T N -3.728 110.769 114.554 -0.096 0.000 2.942 334 T HA -0.152 4.198 4.350 -0.001 0.000 0.265 334 T C 1.735 176.440 174.700 0.010 0.000 1.062 334 T CA 0.272 62.353 62.100 -0.031 0.000 1.139 334 T CB -0.243 68.651 68.868 0.044 0.000 0.883 334 T HN 0.613 nan 8.240 nan 0.000 0.468 335 W N 2.112 123.522 121.300 0.183 0.000 2.364 335 W HA 0.176 4.835 4.660 -0.001 0.000 0.281 335 W C 0.472 177.188 176.519 0.328 0.000 1.219 335 W CA -0.438 57.070 57.345 0.272 0.000 1.220 335 W CB -1.198 28.487 29.460 0.375 0.000 1.127 335 W HN 0.213 nan 8.180 nan 0.000 0.556 336 I N 2.656 123.051 120.570 -0.291 0.000 2.588 336 I HA 0.098 4.267 4.170 -0.001 0.000 0.283 336 I C 0.534 176.493 176.117 -0.263 0.000 1.119 336 I CA 0.577 61.770 61.300 -0.179 0.000 1.419 336 I CB 0.546 38.217 38.000 -0.548 0.000 1.394 336 I HN -0.198 nan 8.210 nan 0.000 0.562 337 K N 4.015 124.106 120.400 -0.515 0.000 2.399 337 K HA 0.407 4.727 4.320 -0.001 0.000 0.260 337 K C -0.809 175.468 176.600 -0.538 0.000 1.049 337 K CA -0.999 54.852 56.287 -0.727 0.000 0.890 337 K CB 1.529 33.263 32.500 -1.276 0.000 1.430 337 K HN 0.349 nan 8.250 nan 0.000 0.459 338 N N 1.606 120.078 118.700 -0.380 0.000 2.752 338 N HA 0.237 4.977 4.740 -0.001 0.000 0.260 338 N C -2.626 172.805 175.510 -0.132 0.000 1.562 338 N CA -1.302 51.645 53.050 -0.172 0.000 0.788 338 N CB 0.628 39.064 38.487 -0.085 0.000 1.192 338 N HN 0.325 nan 8.380 nan 0.000 0.503 339 P HA 0.520 nan 4.420 nan 0.000 0.282 339 P C -2.836 174.492 177.300 0.046 0.000 1.287 339 P CA -1.403 61.674 63.100 -0.038 0.000 0.792 339 P CB 0.048 31.742 31.700 -0.010 0.000 1.163 340 P HA 0.296 nan 4.420 nan 0.000 0.276 340 P C -2.270 175.091 177.300 0.101 0.000 1.235 340 P CA -0.927 62.212 63.100 0.065 0.000 0.772 340 P CB -1.018 30.710 31.700 0.045 0.000 0.871 341 P HA 0.113 nan 4.420 nan 0.000 0.269 341 P C -0.330 177.011 177.300 0.068 0.000 1.211 341 P CA 0.243 63.404 63.100 0.102 0.000 0.781 341 P CB 0.481 32.222 31.700 0.067 0.000 0.877 342 R N -0.367 120.167 120.500 0.057 0.000 2.663 342 R HA 0.724 5.064 4.340 -0.001 0.000 0.267 342 R C -1.437 174.849 176.300 -0.024 0.000 1.038 342 R CA -1.227 54.888 56.100 0.025 0.000 0.886 342 R CB 0.946 31.282 30.300 0.059 0.000 1.249 342 R HN 0.334 nan 8.270 nan 0.000 0.463 343 A N 3.163 125.955 122.820 -0.047 0.000 2.476 343 A HA 0.433 4.752 4.320 -0.001 0.000 0.275 343 A C -0.114 177.437 177.584 -0.055 0.000 1.133 343 A CA -0.021 51.965 52.037 -0.084 0.000 0.797 343 A CB -0.304 18.653 19.000 -0.070 0.000 1.081 343 A HN 0.568 nan 8.150 nan 0.000 0.510 344 I N 2.316 122.851 120.570 -0.058 0.000 2.534 344 I HA 0.317 4.487 4.170 -0.001 0.000 0.288 344 I C 0.167 176.319 176.117 0.058 0.000 1.077 344 I CA -0.565 60.754 61.300 0.031 0.000 1.051 344 I CB 2.246 40.344 38.000 0.162 0.000 1.234 344 I HN 0.760 nan 8.210 nan 0.000 0.425 345 R N 5.841 126.355 120.500 0.023 0.000 2.296 345 R HA 0.386 4.726 4.340 -0.001 0.000 0.327 345 R C -1.181 175.147 176.300 0.048 0.000 1.137 345 R CA -0.616 55.489 56.100 0.010 0.000 1.020 345 R CB 0.446 30.728 30.300 -0.030 0.000 1.110 345 R HN 0.463 nan 8.270 nan 0.000 0.499 346 L N 3.604 124.899 121.223 0.119 0.000 2.305 346 L HA 0.397 4.736 4.340 -0.001 0.000 0.281 346 L C -0.875 176.087 176.870 0.154 0.000 1.085 346 L CA 0.640 55.572 54.840 0.152 0.000 0.813 346 L CB 1.767 43.976 42.059 0.250 0.000 1.157 346 L HN 0.535 nan 8.230 nan 0.000 0.436 347 T N 7.139 121.743 114.554 0.084 0.000 2.824 347 T HA 0.728 5.078 4.350 -0.001 0.000 0.282 347 T C -0.716 173.997 174.700 0.022 0.000 0.993 347 T CA -0.420 61.718 62.100 0.063 0.000 0.967 347 T CB 1.015 69.881 68.868 -0.002 0.000 0.960 347 T HN 0.688 nan 8.240 nan 0.000 0.441 348 L N 1.264 122.504 121.223 0.028 0.000 2.568 348 L HA 0.864 5.203 4.340 -0.001 0.000 0.257 348 L C -3.257 173.628 176.870 0.023 0.000 1.024 348 L CA -3.008 51.806 54.840 -0.043 0.000 0.854 348 L CB 1.853 43.807 42.059 -0.176 0.000 1.460 348 L HN 0.260 nan 8.230 nan 0.000 0.409 349 P HA 0.121 nan 4.420 nan 0.000 0.275 349 P C -1.273 176.037 177.300 0.016 0.000 1.228 349 P CA -0.139 62.993 63.100 0.053 0.000 0.786 349 P CB 0.612 32.314 31.700 0.003 0.000 0.927 350 Q N 1.798 121.605 119.800 0.012 0.000 2.300 350 Q HA 0.120 4.459 4.340 -0.001 0.000 0.280 350 Q C -0.905 175.071 176.000 -0.039 0.000 1.033 350 Q CA 0.169 55.964 55.803 -0.013 0.000 0.903 350 Q CB 0.056 28.794 28.738 0.000 0.000 1.195 350 Q HN 0.439 nan 8.270 nan 0.000 0.386 351 L N 4.284 125.470 121.223 -0.061 0.000 2.287 351 L HA 0.336 4.675 4.340 -0.001 0.000 0.287 351 L C 0.084 176.903 176.870 -0.084 0.000 1.022 351 L CA -0.091 54.696 54.840 -0.089 0.000 0.814 351 L CB 1.333 43.309 42.059 -0.138 0.000 1.217 351 L HN 0.648 nan 8.230 nan 0.000 0.420 352 E N 4.842 124.996 120.200 -0.075 0.000 3.588 352 E HA 0.303 4.652 4.350 -0.001 0.000 0.213 352 E C -0.615 175.955 176.600 -0.051 0.000 1.168 352 E CA -0.280 56.086 56.400 -0.056 0.000 1.254 352 E CB 0.809 30.485 29.700 -0.040 0.000 1.302 352 E HN 0.520 nan 8.360 nan 0.000 0.429 353 I N 1.848 122.376 120.570 -0.070 0.000 2.505 353 I HA 0.099 4.269 4.170 -0.001 0.000 0.287 353 I C 0.523 176.652 176.117 0.021 0.000 1.104 353 I CA 0.401 61.676 61.300 -0.040 0.000 1.387 353 I CB 0.249 38.199 38.000 -0.083 0.000 1.404 353 I HN -0.004 nan 8.210 nan 0.000 0.528 354 R N 4.917 125.444 120.500 0.044 0.000 2.393 354 R HA 0.614 4.953 4.340 -0.001 0.000 0.315 354 R C -0.066 176.301 176.300 0.111 0.000 0.952 354 R CA -0.521 55.626 56.100 0.079 0.000 0.842 354 R CB 2.016 32.353 30.300 0.062 0.000 1.163 354 R HN 0.801 nan 8.270 nan 0.000 0.450 355 G N -0.023 108.872 108.800 0.158 0.000 2.533 355 G HA2 0.538 4.498 3.960 -0.001 0.000 0.304 355 G HA3 0.538 4.498 3.960 -0.001 0.000 0.304 355 G C -1.264 173.749 174.900 0.188 0.000 1.263 355 G CA -0.430 44.788 45.100 0.198 0.000 0.964 355 G HN 0.389 nan 8.290 nan 0.000 0.479 356 S N -0.447 115.380 115.700 0.212 0.000 2.563 356 S HA 0.664 5.134 4.470 -0.001 0.000 0.279 356 S C -1.711 173.001 174.600 0.186 0.000 1.155 356 S CA -0.802 57.456 58.200 0.096 0.000 0.928 356 S CB 0.503 63.740 63.200 0.062 0.000 1.107 356 S HN 1.277 nan 8.310 nan 0.000 0.462 357 Y N 1.653 121.961 120.300 0.013 0.000 2.479 357 Y HA 0.638 5.188 4.550 -0.001 0.000 0.338 357 Y C -0.651 175.241 175.900 -0.013 0.000 1.055 357 Y CA -1.206 56.890 58.100 -0.006 0.000 1.023 357 Y CB 0.774 39.224 38.460 -0.016 0.000 1.287 357 Y HN 0.533 nan 8.280 nan 0.000 0.447 358 N N 2.971 121.706 118.700 0.058 0.000 2.411 358 N HA 0.045 4.784 4.740 -0.001 0.000 0.259 358 N C 0.325 175.863 175.510 0.046 0.000 1.103 358 N CA -0.358 52.688 53.050 -0.006 0.000 0.954 358 N CB 1.438 39.904 38.487 -0.035 0.000 1.085 358 N HN 0.955 nan 8.380 nan 0.000 0.485 359 L N 3.708 124.946 121.223 0.026 0.000 2.191 359 L HA -0.082 4.258 4.340 -0.001 0.000 0.212 359 L C 1.911 178.762 176.870 -0.032 0.000 1.103 359 L CA 1.570 56.434 54.840 0.041 0.000 0.769 359 L CB -0.371 41.690 42.059 0.004 0.000 0.908 359 L HN 0.620 nan 8.230 nan 0.000 0.438 360 Q N -0.346 119.413 119.800 -0.070 0.000 2.096 360 Q HA -0.228 4.111 4.340 -0.001 0.000 0.204 360 Q C 1.789 177.755 176.000 -0.056 0.000 0.982 360 Q CA 1.928 57.678 55.803 -0.089 0.000 0.850 360 Q CB -0.367 28.312 28.738 -0.099 0.000 0.901 360 Q HN 0.656 nan 8.270 nan 0.000 0.422 361 D N 0.175 120.555 120.400 -0.032 0.000 2.224 361 D HA -0.047 4.592 4.640 -0.001 0.000 0.205 361 D C 2.050 178.337 176.300 -0.022 0.000 0.965 361 D CA 0.510 54.496 54.000 -0.023 0.000 0.852 361 D CB 0.196 40.989 40.800 -0.011 0.000 0.947 361 D HN 0.245 nan 8.370 nan 0.000 0.494 362 L N 0.481 121.698 121.223 -0.011 0.000 2.156 362 L HA -0.061 4.279 4.340 -0.001 0.000 0.208 362 L C 2.552 179.404 176.870 -0.030 0.000 1.095 362 L CA 0.449 55.277 54.840 -0.020 0.000 0.770 362 L CB -0.286 41.773 42.059 0.000 0.000 0.914 362 L HN 0.005 nan 8.230 nan 0.000 0.439 363 L N -0.132 121.068 121.223 -0.038 0.000 2.093 363 L HA -0.144 4.196 4.340 -0.001 0.000 0.208 363 L C 2.929 179.774 176.870 -0.041 0.000 1.085 363 L CA 1.017 55.828 54.840 -0.047 0.000 0.755 363 L CB -0.720 41.295 42.059 -0.073 0.000 0.904 363 L HN 0.228 nan 8.230 nan 0.000 0.435 364 A N -0.582 122.214 122.820 -0.041 0.000 1.908 364 A HA -0.235 4.084 4.320 -0.001 0.000 0.218 364 A C 2.261 179.827 177.584 -0.030 0.000 1.181 364 A CA 1.376 53.392 52.037 -0.034 0.000 0.627 364 A CB -0.416 18.564 19.000 -0.033 0.000 0.818 364 A HN 0.410 nan 8.150 nan 0.000 0.445 365 Q N -0.722 119.059 119.800 -0.031 0.000 2.061 365 Q HA -0.171 4.169 4.340 -0.001 0.000 0.204 365 Q C 2.216 178.200 176.000 -0.026 0.000 0.984 365 Q CA 1.699 57.484 55.803 -0.031 0.000 0.846 365 Q CB -0.499 28.216 28.738 -0.039 0.000 0.902 365 Q HN 0.660 nan 8.270 nan 0.000 0.421 366 A N 0.594 123.398 122.820 -0.026 0.000 2.235 366 A HA -0.025 4.295 4.320 -0.001 0.000 0.208 366 A C 0.273 177.845 177.584 -0.019 0.000 1.172 366 A CA 0.253 52.278 52.037 -0.019 0.000 0.786 366 A CB -0.208 18.782 19.000 -0.018 0.000 0.804 366 A HN 0.377 nan 8.150 nan 0.000 0.479 367 K N -1.552 118.836 120.400 -0.021 0.000 3.244 367 K HA -0.149 4.170 4.320 -0.001 0.000 0.270 367 K C -0.479 176.108 176.600 -0.022 0.000 1.016 367 K CA 0.810 57.085 56.287 -0.020 0.000 0.754 367 K CB -1.835 30.656 32.500 -0.015 0.000 1.326 367 K HN 0.514 nan 8.250 nan 0.000 0.465 368 L N -0.083 121.122 121.223 -0.029 0.000 3.193 368 L HA 0.105 4.445 4.340 -0.001 0.000 0.305 368 L C 1.567 178.411 176.870 -0.044 0.000 1.299 368 L CA -0.026 54.793 54.840 -0.034 0.000 0.904 368 L CB 0.713 42.749 42.059 -0.037 0.000 1.331 368 L HN 0.340 nan 8.230 nan 0.000 0.588 369 S N -1.513 114.164 115.700 -0.038 0.000 2.382 369 S HA -0.183 4.287 4.470 -0.001 0.000 0.228 369 S C 1.893 176.466 174.600 -0.045 0.000 1.027 369 S CA 1.696 59.871 58.200 -0.042 0.000 0.991 369 S CB -0.605 62.575 63.200 -0.032 0.000 0.823 369 S HN 0.588 nan 8.310 nan 0.000 0.469 370 T N -0.336 114.196 114.554 -0.035 0.000 3.160 370 T HA 0.279 4.629 4.350 -0.001 0.000 0.257 370 T C 1.493 176.170 174.700 -0.039 0.000 1.147 370 T CA 0.315 62.396 62.100 -0.032 0.000 1.064 370 T CB -0.500 68.355 68.868 -0.021 0.000 0.949 370 T HN 0.341 nan 8.240 nan 0.000 0.526 371 L N 0.187 121.379 121.223 -0.051 0.000 1.961 371 L HA 0.205 4.545 4.340 -0.001 0.000 0.210 371 L C 1.190 178.013 176.870 -0.079 0.000 1.072 371 L CA 1.473 56.278 54.840 -0.059 0.000 0.749 371 L CB -0.034 41.982 42.059 -0.070 0.000 0.889 371 L HN 0.301 nan 8.230 nan 0.000 0.432 372 L N -0.004 121.145 121.223 -0.123 0.000 3.047 372 L HA 0.329 4.668 4.340 -0.001 0.000 0.242 372 L C 0.484 177.292 176.870 -0.103 0.000 1.315 372 L CA -0.326 54.421 54.840 -0.155 0.000 1.042 372 L CB 0.186 42.035 42.059 -0.349 0.000 1.420 372 L HN 0.245 nan 8.230 nan 0.000 0.517 373 G N -0.471 108.293 108.800 -0.060 0.000 3.310 373 G HA2 0.455 4.415 3.960 -0.001 0.000 0.176 373 G HA3 0.455 4.415 3.960 -0.001 0.000 0.176 373 G C 0.958 175.848 174.900 -0.016 0.000 1.307 373 G CA 0.567 45.644 45.100 -0.038 0.000 0.935 373 G HN 0.176 nan 8.290 nan 0.000 0.628 374 A N -0.594 122.219 122.820 -0.011 0.000 1.897 374 A HA 0.151 4.470 4.320 -0.001 0.000 0.215 374 A C 1.825 179.408 177.584 -0.002 0.000 1.181 374 A CA 1.877 53.912 52.037 -0.003 0.000 0.620 374 A CB -0.260 18.739 19.000 -0.003 0.000 0.821 374 A HN 0.389 nan 8.150 nan 0.000 0.443 375 E N -0.205 119.991 120.200 -0.006 0.000 2.437 375 E HA 0.447 4.797 4.350 -0.001 0.000 0.195 375 E C 0.051 176.647 176.600 -0.006 0.000 1.029 375 E CA 0.245 56.642 56.400 -0.006 0.000 0.948 375 E CB 0.195 29.891 29.700 -0.006 0.000 1.082 375 E HN 0.498 nan 8.360 nan 0.000 0.456 376 A N 1.479 124.295 122.820 -0.006 0.000 2.444 376 A HA 0.102 4.422 4.320 -0.001 0.000 0.273 376 A C 0.217 177.801 177.584 0.001 0.000 1.136 376 A CA -0.342 51.693 52.037 -0.004 0.000 0.799 376 A CB -0.092 18.906 19.000 -0.004 0.000 1.081 376 A HN 0.085 nan 8.150 nan 0.000 0.509 377 N N 2.957 121.654 118.700 -0.004 0.000 2.402 377 N HA 0.192 4.931 4.740 -0.001 0.000 0.259 377 N C -0.654 174.843 175.510 -0.021 0.000 1.167 377 N CA 0.170 53.211 53.050 -0.014 0.000 0.949 377 N CB 0.041 38.518 38.487 -0.016 0.000 1.212 377 N HN 0.599 nan 8.380 nan 0.000 0.493 378 L N 2.849 124.052 121.223 -0.033 0.000 2.892 378 L HA 0.341 4.681 4.340 -0.001 0.000 0.251 378 L C 1.659 178.459 176.870 -0.117 0.000 1.339 378 L CA -0.516 54.282 54.840 -0.071 0.000 0.900 378 L CB 0.932 42.964 42.059 -0.046 0.000 1.246 378 L HN 0.523 nan 8.230 nan 0.000 0.524 379 G N -0.002 108.742 108.800 -0.093 0.000 2.443 379 G HA2 -0.165 3.795 3.960 -0.001 0.000 0.219 379 G HA3 -0.165 3.795 3.960 -0.001 0.000 0.219 379 G C 1.438 176.272 174.900 -0.110 0.000 1.131 379 G CA 0.279 45.327 45.100 -0.087 0.000 0.775 379 G HN 0.354 nan 8.290 nan 0.000 0.547 380 K N -0.353 119.965 120.400 -0.137 0.000 2.432 380 K HA 0.221 4.541 4.320 -0.001 0.000 0.196 380 K C 2.314 178.758 176.600 -0.260 0.000 1.038 380 K CA 0.246 56.458 56.287 -0.125 0.000 0.986 380 K CB -0.054 32.412 32.500 -0.056 0.000 0.782 380 K HN 0.298 nan 8.250 nan 0.000 0.485 381 M N -0.210 119.111 119.600 -0.465 0.000 2.349 381 M HA 0.026 4.505 4.480 -0.001 0.000 0.266 381 M C 0.943 177.050 176.300 -0.321 0.000 1.076 381 M CA 0.608 55.458 55.300 -0.750 0.000 1.126 381 M CB 0.409 32.548 32.600 -0.769 0.000 1.392 381 M HN 0.176 nan 8.290 nan 0.000 0.440 382 G N -1.243 107.445 108.800 -0.188 0.000 2.488 382 G HA2 0.137 4.097 3.960 -0.001 0.000 0.301 382 G HA3 0.137 4.097 3.960 -0.001 0.000 0.301 382 G C -1.008 173.847 174.900 -0.076 0.000 1.339 382 G CA -0.558 44.474 45.100 -0.113 0.000 0.803 382 G HN -0.087 nan 8.290 nan 0.000 0.482 383 D N -0.199 120.164 120.400 -0.060 0.000 2.264 383 D HA 0.093 4.733 4.640 -0.001 0.000 0.208 383 D C 1.532 177.807 176.300 -0.042 0.000 0.966 383 D CA 1.807 55.782 54.000 -0.042 0.000 0.864 383 D CB 0.198 40.977 40.800 -0.034 0.000 0.933 383 D HN 0.591 nan 8.370 nan 0.000 0.499 384 T N -1.918 112.606 114.554 -0.049 0.000 2.876 384 T HA 0.311 4.661 4.350 -0.001 0.000 0.289 384 T C -0.245 174.427 174.700 -0.047 0.000 1.014 384 T CA -1.115 60.961 62.100 -0.040 0.000 0.986 384 T CB 1.843 70.691 68.868 -0.033 0.000 1.021 384 T HN -0.235 nan 8.240 nan 0.000 0.458 385 N N 4.083 122.760 118.700 -0.038 0.000 2.429 385 N HA 0.221 4.960 4.740 -0.001 0.000 0.271 385 N C -2.128 173.369 175.510 -0.022 0.000 1.272 385 N CA -1.248 51.780 53.050 -0.037 0.000 0.921 385 N CB 0.122 38.594 38.487 -0.026 0.000 1.128 385 N HN 0.512 nan 8.380 nan 0.000 0.481 386 P HA 0.264 nan 4.420 nan 0.000 0.286 386 P C -0.914 176.411 177.300 0.041 0.000 1.261 386 P CA -0.371 62.735 63.100 0.009 0.000 0.821 386 P CB 0.997 32.700 31.700 0.005 0.000 1.013 387 R N 1.404 121.938 120.500 0.057 0.000 2.210 387 R HA 0.345 4.685 4.340 -0.001 0.000 0.338 387 R C -0.282 176.089 176.300 0.117 0.000 1.062 387 R CA -0.792 55.351 56.100 0.070 0.000 0.902 387 R CB 0.493 30.829 30.300 0.060 0.000 1.050 387 R HN 0.287 nan 8.270 nan 0.000 0.461 388 V N 3.670 123.656 119.914 0.121 0.000 2.508 388 V HA 0.057 4.177 4.120 -0.001 0.000 0.281 388 V C 1.391 177.548 176.094 0.105 0.000 1.041 388 V CA 0.360 62.761 62.300 0.168 0.000 1.016 388 V CB 1.144 33.072 31.823 0.175 0.000 0.984 388 V HN 1.044 nan 8.190 nan 0.000 0.478 389 G N 4.788 113.672 108.800 0.139 0.000 2.607 389 G HA2 0.064 4.023 3.960 -0.001 0.000 0.215 389 G HA3 0.064 4.023 3.960 -0.001 0.000 0.215 389 G C 0.339 175.062 174.900 -0.295 0.000 1.275 389 G CA 0.457 45.538 45.100 -0.032 0.000 0.842 389 G HN 0.773 nan 8.290 nan 0.000 0.555 390 E N -1.377 118.458 120.200 -0.608 0.000 2.369 390 E HA 0.566 4.915 4.350 -0.001 0.000 0.270 390 E C -1.810 174.695 176.600 -0.159 0.000 0.909 390 E CA -0.900 55.247 56.400 -0.421 0.000 0.775 390 E CB 2.460 31.818 29.700 -0.570 0.000 1.270 390 E HN -0.008 nan 8.360 nan 0.000 0.445 391 V N 2.544 122.420 119.914 -0.063 0.000 2.320 391 V HA 0.173 4.292 4.120 -0.001 0.000 0.257 391 V C -0.501 175.617 176.094 0.041 0.000 0.996 391 V CA -0.584 61.768 62.300 0.088 0.000 0.928 391 V CB 0.215 32.029 31.823 -0.015 0.000 1.169 391 V HN 0.600 nan 8.190 nan 0.000 0.475 392 L N 2.798 124.032 121.223 0.019 0.000 2.461 392 L HA 0.317 4.656 4.340 -0.001 0.000 0.272 392 L C 0.513 177.267 176.870 -0.193 0.000 1.197 392 L CA 0.954 55.724 54.840 -0.118 0.000 0.836 392 L CB 0.402 42.381 42.059 -0.134 0.000 1.105 392 L HN 0.546 nan 8.230 nan 0.000 0.477 393 N N 1.443 119.892 118.700 -0.417 0.000 2.491 393 N HA 0.380 5.120 4.740 -0.001 0.000 0.274 393 N C -1.366 173.853 175.510 -0.484 0.000 1.023 393 N CA -0.427 52.344 53.050 -0.465 0.000 0.902 393 N CB 1.304 39.434 38.487 -0.594 0.000 1.267 393 N HN 0.465 nan 8.380 nan 0.000 0.503 394 S N 2.301 117.834 115.700 -0.277 0.000 2.478 394 S HA 0.507 4.977 4.470 -0.001 0.000 0.312 394 S C -0.283 174.393 174.600 0.127 0.000 1.094 394 S CA -0.503 57.663 58.200 -0.056 0.000 1.081 394 S CB 1.002 64.221 63.200 0.031 0.000 1.007 394 S HN 0.365 nan 8.310 nan 0.000 0.475 395 I N 2.971 123.646 120.570 0.175 0.000 2.493 395 I HA 0.463 4.632 4.170 -0.001 0.000 0.298 395 I C -1.035 175.187 176.117 0.175 0.000 0.998 395 I CA -0.910 60.534 61.300 0.240 0.000 1.137 395 I CB 1.719 39.923 38.000 0.340 0.000 1.310 395 I HN 0.345 nan 8.210 nan 0.000 0.445 396 L N 7.404 128.695 121.223 0.113 0.000 2.388 396 L HA 0.490 4.829 4.340 -0.001 0.000 0.267 396 L C -1.328 175.572 176.870 0.050 0.000 0.995 396 L CA -0.163 54.700 54.840 0.039 0.000 0.864 396 L CB 1.124 43.118 42.059 -0.109 0.000 1.216 396 L HN 0.481 nan 8.230 nan 0.000 0.430 397 L N 4.425 125.656 121.223 0.013 0.000 2.264 397 L HA 0.530 4.870 4.340 -0.001 0.000 0.289 397 L C -0.520 176.311 176.870 -0.066 0.000 1.044 397 L CA -0.145 54.657 54.840 -0.063 0.000 0.807 397 L CB 0.892 42.847 42.059 -0.173 0.000 1.192 397 L HN 0.632 nan 8.230 nan 0.000 0.425 398 E N 5.429 125.598 120.200 -0.050 0.000 2.218 398 E HA 0.415 4.765 4.350 -0.001 0.000 0.263 398 E C -1.495 175.051 176.600 -0.091 0.000 0.879 398 E CA -0.749 55.601 56.400 -0.085 0.000 0.762 398 E CB 2.481 32.128 29.700 -0.088 0.000 1.166 398 E HN 0.379 nan 8.360 nan 0.000 0.415 399 L N 3.146 124.316 121.223 -0.089 0.000 2.313 399 L HA 0.376 4.716 4.340 -0.001 0.000 0.283 399 L C -0.224 176.594 176.870 -0.088 0.000 1.013 399 L CA -0.173 54.612 54.840 -0.092 0.000 0.816 399 L CB 1.445 43.437 42.059 -0.112 0.000 1.236 399 L HN 0.474 nan 8.230 nan 0.000 0.419 400 Q N 1.562 121.311 119.800 -0.085 0.000 2.615 400 Q HA 0.812 5.152 4.340 -0.001 0.000 0.298 400 Q C -0.952 175.035 176.000 -0.021 0.000 1.023 400 Q CA -1.313 54.460 55.803 -0.049 0.000 0.768 400 Q CB 1.796 30.504 28.738 -0.051 0.000 1.500 400 Q HN 0.642 nan 8.270 nan 0.000 0.441 401 A N 0.400 123.232 122.820 0.019 0.000 2.477 401 A HA 0.576 4.896 4.320 -0.001 0.000 0.246 401 A C 0.256 177.863 177.584 0.040 0.000 1.078 401 A CA 0.695 52.768 52.037 0.061 0.000 0.770 401 A CB -0.121 18.919 19.000 0.068 0.000 1.011 401 A HN 0.663 nan 8.150 nan 0.000 0.494 420 L N 4.087 125.287 121.223 -0.039 0.000 2.281 420 L HA 0.709 5.049 4.340 -0.001 0.000 0.285 420 L C -0.069 176.767 176.870 -0.056 0.000 1.074 420 L CA 0.099 54.909 54.840 -0.050 0.000 0.817 420 L CB 1.165 43.186 42.059 -0.063 0.000 1.168 420 L HN 0.745 nan 8.230 nan 0.000 0.434 421 D N 3.435 123.806 120.400 -0.049 0.000 2.316 421 D HA 0.238 4.877 4.640 -0.001 0.000 0.245 421 D C -0.093 176.174 176.300 -0.056 0.000 1.171 421 D CA -0.444 53.532 54.000 -0.041 0.000 0.856 421 D CB 2.264 43.044 40.800 -0.033 0.000 1.090 421 D HN 0.346 nan 8.370 nan 0.000 0.476 422 V N 3.064 122.946 119.914 -0.054 0.000 2.432 422 V HA 0.290 4.410 4.120 -0.001 0.000 0.275 422 V C 0.403 176.485 176.094 -0.020 0.000 1.043 422 V CA -0.036 62.232 62.300 -0.054 0.000 0.925 422 V CB 1.335 33.123 31.823 -0.059 0.000 0.985 422 V HN 0.656 nan 8.190 nan 0.000 0.466 423 T N 6.705 121.243 114.554 -0.026 0.000 2.881 423 T HA 0.510 4.860 4.350 -0.001 0.000 0.291 423 T C -0.355 174.320 174.700 -0.042 0.000 0.990 423 T CA -0.359 61.724 62.100 -0.028 0.000 0.976 423 T CB 0.987 69.841 68.868 -0.024 0.000 0.970 423 T HN 0.382 nan 8.240 nan 0.000 0.438 424 L N 3.747 124.924 121.223 -0.077 0.000 2.353 424 L HA 0.357 4.697 4.340 -0.001 0.000 0.269 424 L C 0.767 177.662 176.870 0.042 0.000 1.085 424 L CA -0.501 54.264 54.840 -0.125 0.000 0.938 424 L CB 0.172 41.932 42.059 -0.499 0.000 1.312 424 L HN 0.712 nan 8.230 nan 0.000 0.429 425 S N -0.603 115.092 115.700 -0.008 0.000 2.581 425 S HA 0.469 4.939 4.470 -0.001 0.000 0.245 425 S C 0.073 174.329 174.600 -0.572 0.000 1.115 425 S CA -0.516 57.630 58.200 -0.089 0.000 1.093 425 S CB 0.150 63.352 63.200 0.003 0.000 0.853 425 S HN 0.526 nan 8.310 nan 0.000 0.479 426 S N -0.908 114.371 115.700 -0.702 0.000 2.611 426 S HA 0.564 5.034 4.470 -0.001 0.000 0.270 426 S C -3.533 171.064 174.600 -0.005 0.000 1.131 426 S CA -1.290 56.548 58.200 -0.603 0.000 0.826 426 S CB -0.092 63.066 63.200 -0.070 0.000 1.095 426 S HN 0.016 nan 8.310 nan 0.000 0.461 427 P HA 0.235 nan 4.420 nan 0.000 0.259 427 P C -0.740 176.769 177.300 0.349 0.000 1.155 427 P CA 0.611 63.897 63.100 0.309 0.000 0.759 427 P CB -0.471 31.318 31.700 0.148 0.000 0.753 428 F N 1.344 121.418 119.950 0.207 0.000 2.626 428 F HA 0.667 5.193 4.527 -0.001 0.000 0.311 428 F C -1.470 174.423 175.800 0.156 0.000 1.088 428 F CA -1.547 56.536 58.000 0.140 0.000 0.949 428 F CB 1.007 40.104 39.000 0.162 0.000 1.322 428 F HN -0.052 nan 8.300 nan 0.000 0.461 429 L N 2.370 123.691 121.223 0.163 0.000 2.344 429 L HA 0.652 4.991 4.340 -0.001 0.000 0.272 429 L C -0.818 176.260 176.870 0.347 0.000 1.035 429 L CA -0.994 53.895 54.840 0.082 0.000 0.807 429 L CB 1.747 43.660 42.059 -0.244 0.000 1.237 429 L HN 0.816 nan 8.230 nan 0.000 0.442 430 F N 0.354 120.472 119.950 0.280 0.000 2.599 430 F HA 0.932 5.459 4.527 -0.001 0.000 0.311 430 F C -0.788 175.196 175.800 0.306 0.000 1.076 430 F CA -0.947 57.223 58.000 0.283 0.000 0.937 430 F CB 1.793 40.920 39.000 0.211 0.000 1.282 430 F HN 0.443 nan 8.300 nan 0.000 0.460 431 A N 3.104 126.144 122.820 0.368 0.000 2.547 431 A HA 0.757 5.076 4.320 -0.001 0.000 0.297 431 A C -1.748 176.017 177.584 0.302 0.000 1.056 431 A CA -0.682 51.502 52.037 0.245 0.000 0.688 431 A CB 1.290 20.488 19.000 0.329 0.000 1.282 431 A HN 0.855 nan 8.150 nan 0.000 0.400 432 I N 1.954 122.682 120.570 0.263 0.000 2.354 432 I HA 0.425 4.595 4.170 -0.001 0.000 0.292 432 I C -1.108 175.188 176.117 0.299 0.000 0.989 432 I CA -0.543 60.889 61.300 0.219 0.000 1.188 432 I CB 1.599 39.642 38.000 0.072 0.000 1.342 432 I HN 0.759 nan 8.210 nan 0.000 0.457 433 Y N 6.389 126.776 120.300 0.144 0.000 2.477 433 Y HA 0.447 4.997 4.550 -0.000 0.000 0.347 433 Y C -0.805 175.184 175.900 0.149 0.000 0.981 433 Y CA -0.668 57.521 58.100 0.149 0.000 1.033 433 Y CB 1.647 40.174 38.460 0.113 0.000 1.245 433 Y HN 0.439 nan 8.280 nan 0.000 0.455 434 E N 5.759 125.672 120.200 -0.478 0.000 2.199 434 E HA 0.314 4.664 4.350 -0.001 0.000 0.265 434 E C -0.203 176.028 176.600 -0.615 0.000 0.882 434 E CA -0.405 55.792 56.400 -0.338 0.000 0.759 434 E CB 1.490 31.157 29.700 -0.057 0.000 1.148 434 E HN 0.997 nan 8.360 nan 0.000 0.412 435 R N 2.391 122.698 120.500 -0.320 0.000 2.073 435 R HA -0.052 4.287 4.340 -0.001 0.000 0.229 435 R C 1.112 177.352 176.300 -0.101 0.000 1.120 435 R CA 1.065 57.062 56.100 -0.172 0.000 0.967 435 R CB 0.195 30.522 30.300 0.046 0.000 0.862 435 R HN 0.479 nan 8.270 nan 0.000 0.436 436 D N 0.562 120.919 120.400 -0.072 0.000 2.092 436 D HA -0.141 4.498 4.640 -0.001 0.000 0.193 436 D C 2.069 178.339 176.300 -0.050 0.000 0.994 436 D CA 2.103 56.081 54.000 -0.037 0.000 0.828 436 D CB -0.185 40.604 40.800 -0.019 0.000 0.963 436 D HN 0.233 nan 8.370 nan 0.000 0.450 437 S N -0.853 114.802 115.700 -0.074 0.000 2.414 437 S HA 0.144 4.614 4.470 -0.001 0.000 0.227 437 S C 1.849 176.384 174.600 -0.108 0.000 1.022 437 S CA 1.062 59.215 58.200 -0.078 0.000 0.958 437 S CB 0.193 63.356 63.200 -0.061 0.000 0.797 437 S HN 0.366 nan 8.310 nan 0.000 0.493 438 G N 1.135 109.823 108.800 -0.186 0.000 2.137 438 G HA2 -0.036 3.924 3.960 -0.001 0.000 0.237 438 G HA3 -0.036 3.924 3.960 -0.001 0.000 0.237 438 G C 0.094 174.911 174.900 -0.138 0.000 1.002 438 G CA -0.043 44.974 45.100 -0.139 0.000 0.702 438 G HN 1.271 nan 8.290 nan 0.000 0.515 439 A N 0.008 122.670 122.820 -0.264 0.000 2.320 439 A HA 0.743 5.063 4.320 -0.001 0.000 0.287 439 A C 0.422 177.879 177.584 -0.211 0.000 1.181 439 A CA -0.321 51.544 52.037 -0.287 0.000 0.831 439 A CB 0.608 19.338 19.000 -0.451 0.000 1.102 439 A HN 0.800 nan 8.150 nan 0.000 0.513 440 L N 3.463 124.605 121.223 -0.134 0.000 2.278 440 L HA 0.250 4.590 4.340 -0.001 0.000 0.287 440 L C 1.079 177.809 176.870 -0.234 0.000 1.072 440 L CA -0.315 54.506 54.840 -0.033 0.000 0.819 440 L CB 0.582 42.614 42.059 -0.045 0.000 1.176 440 L HN 0.882 nan 8.230 nan 0.000 0.435 441 H N 3.736 122.767 119.070 -0.064 0.000 2.476 441 H HA 0.220 4.776 4.556 -0.001 0.000 0.292 441 H C -0.474 174.592 175.328 -0.436 0.000 1.019 441 H CA 0.712 56.665 56.048 -0.159 0.000 1.330 441 H CB 0.766 30.562 29.762 0.058 0.000 1.451 441 H HN 0.322 nan 8.280 nan 0.000 0.535 442 F N 0.550 120.503 119.950 0.005 0.000 2.608 442 F HA 0.345 4.871 4.527 -0.001 0.000 0.309 442 F C -1.047 174.685 175.800 -0.112 0.000 1.103 442 F CA -1.201 56.789 58.000 -0.016 0.000 0.954 442 F CB 2.176 41.181 39.000 0.009 0.000 1.267 442 F HN -0.178 nan 8.300 nan 0.000 0.444 443 L N 0.684 121.803 121.223 -0.173 0.000 2.582 443 L HA 1.131 5.471 4.340 -0.001 0.000 0.257 443 L C -0.708 175.493 176.870 -1.115 0.000 0.974 443 L CA -0.499 53.850 54.840 -0.819 0.000 0.851 443 L CB 1.878 43.274 42.059 -1.105 0.000 1.424 443 L HN 0.836 nan 8.230 nan 0.000 0.412 444 G N 0.568 108.374 108.800 -1.656 0.000 2.340 444 G HA2 0.525 4.485 3.960 -0.001 0.000 0.299 444 G HA3 0.525 4.485 3.960 -0.001 0.000 0.299 444 G C -2.203 172.486 174.900 -0.351 0.000 1.291 444 G CA -0.940 43.681 45.100 -0.797 0.000 0.841 444 G HN 0.780 nan 8.290 nan 0.000 0.500 445 R N -0.438 120.125 120.500 0.105 0.000 2.534 445 R HA 0.645 4.985 4.340 -0.001 0.000 0.301 445 R C -1.323 175.025 176.300 0.081 0.000 0.961 445 R CA -0.530 55.633 56.100 0.105 0.000 0.871 445 R CB 2.012 32.382 30.300 0.116 0.000 1.170 445 R HN 0.350 nan 8.270 nan 0.000 0.446 446 V N 5.399 125.234 119.914 -0.131 0.000 2.294 446 V HA 0.155 4.275 4.120 -0.001 0.000 0.272 446 V C -0.162 175.863 176.094 -0.116 0.000 1.027 446 V CA -0.326 61.823 62.300 -0.252 0.000 0.823 446 V CB 1.233 32.617 31.823 -0.731 0.000 1.030 446 V HN 0.875 nan 8.190 nan 0.000 0.457 447 D N 2.631 123.028 120.400 -0.006 0.000 2.301 447 D HA 0.080 4.719 4.640 -0.001 0.000 0.206 447 D C 0.585 176.977 176.300 0.153 0.000 0.979 447 D CA 0.762 54.816 54.000 0.089 0.000 0.874 447 D CB 0.514 41.337 40.800 0.039 0.000 0.968 447 D HN 0.501 nan 8.370 nan 0.000 0.510 448 N N 0.108 118.812 118.700 0.006 0.000 2.600 448 N HA 0.100 4.840 4.740 -0.001 0.000 0.272 448 N C -2.805 172.587 175.510 -0.196 0.000 1.095 448 N CA -0.994 52.009 53.050 -0.078 0.000 0.993 448 N CB 2.235 40.717 38.487 -0.009 0.000 1.603 448 N HN -0.268 nan 8.380 nan 0.000 0.526 449 P HA 0.197 nan 4.420 nan 0.000 0.227 449 P C -0.548 176.657 177.300 -0.159 0.000 1.801 449 P CA 0.229 63.175 63.100 -0.257 0.000 0.971 449 P CB -0.029 31.465 31.700 -0.342 0.000 1.653 450 Q N 0.000 119.735 119.800 -0.108 0.000 2.315 450 Q HA 0.000 4.340 4.340 -0.001 0.000 0.214 450 Q CA 0.000 55.768 55.803 -0.058 0.000 1.022 450 Q CB 0.000 28.713 28.738 -0.042 0.000 1.108 450 Q HN 0.000 nan 8.270 nan 0.000 0.481