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 2fel_1_F DATA FIRST_RESID 2 DATA SEQUENCE SLSPFEHPFL SGLFGDSEII ELFSAKADID AMIRFETALA QAEAEASIFA DATA SEQUENCE DDEAEAIVSG LSEFAADMSA LRHGVAKDGV VVPELIRQMR AAVAGQAADK DATA SEQUENCE VHFGATSQDV IDTSLMLRLK MAAEIIATRL GHLIDTLGDL ASRDGHKPLT DATA SEQUENCE GYTRMQAAIG ITVADRAAGW IAPLERHLLR LETFAQNGFA LQFGGAAGTL DATA SEQUENCE EKLGDNAGAV RADLAKRLGL ADRPQWHNQR DGIAEFANLL SLVTGTLGKF DATA SEQUENCE GQDIALMAEI GSEIRLSGGX XXXXXXXXXN PVNAETLVTL ARFNAVQISA DATA SEQUENCE LHQSLVQEQE RSGAGWMLEW LTLPQMVTAT GTSLLVAERL AAQIDRLGA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.575 174.600 -0.041 0.000 1.055 2 S CA 0.000 58.112 58.200 -0.147 0.000 1.107 2 S CB 0.000 63.106 63.200 -0.157 0.000 0.593 3 L N 0.846 122.046 121.223 -0.039 0.000 2.056 3 L HA 0.147 4.486 4.340 -0.001 0.000 0.207 3 L C 1.479 178.307 176.870 -0.070 0.000 1.078 3 L CA 1.405 56.223 54.840 -0.037 0.000 0.749 3 L CB -0.340 41.706 42.059 -0.022 0.000 0.901 3 L HN 0.759 nan 8.230 nan 0.000 0.433 4 S N -0.972 114.686 115.700 -0.069 0.000 2.437 4 S HA 0.292 4.761 4.470 -0.001 0.000 0.305 4 S C -1.734 172.743 174.600 -0.205 0.000 1.109 4 S CA -1.629 56.477 58.200 -0.157 0.000 1.099 4 S CB 1.432 64.614 63.200 -0.030 0.000 1.004 4 S HN -0.156 nan 8.310 nan 0.000 0.475 5 P HA -0.092 nan 4.420 nan 0.000 0.217 5 P C 0.776 177.926 177.300 -0.249 0.000 1.148 5 P CA 1.316 64.117 63.100 -0.499 0.000 0.828 5 P CB -0.054 31.004 31.700 -1.070 0.000 0.783 6 F N -0.156 119.722 119.950 -0.120 0.000 2.202 6 F HA -0.153 4.373 4.527 -0.001 0.000 0.301 6 F C 1.833 177.652 175.800 0.031 0.000 1.082 6 F CA 1.074 59.078 58.000 0.007 0.000 1.313 6 F CB -0.622 38.360 39.000 -0.030 0.000 1.024 6 F HN 0.026 nan 8.300 nan 0.000 0.495 7 E N -1.976 118.324 120.200 0.167 0.000 2.498 7 E HA -0.003 4.347 4.350 -0.001 0.000 0.203 7 E C 0.322 176.945 176.600 0.039 0.000 1.013 7 E CA -0.187 56.272 56.400 0.097 0.000 0.927 7 E CB 0.104 29.843 29.700 0.065 0.000 1.012 7 E HN 0.244 nan 8.360 nan 0.000 0.482 8 H N 1.513 120.537 119.070 -0.076 0.000 2.764 8 H HA 0.040 4.596 4.556 -0.001 0.000 0.341 8 H C -1.760 173.476 175.328 -0.154 0.000 1.072 8 H CA -1.586 54.355 56.048 -0.179 0.000 1.444 8 H CB 1.373 30.968 29.762 -0.279 0.000 1.458 8 H HN -0.116 nan 8.280 nan 0.000 0.572 9 P HA -0.157 nan 4.420 nan 0.000 0.219 9 P C 0.623 177.994 177.300 0.119 0.000 1.146 9 P CA 1.408 64.444 63.100 -0.107 0.000 0.808 9 P CB -0.041 31.547 31.700 -0.187 0.000 0.779 10 F N -3.846 116.305 119.950 0.335 0.000 2.667 10 F HA 0.312 4.839 4.527 -0.001 0.000 0.288 10 F C 1.617 177.517 175.800 0.167 0.000 1.086 10 F CA -0.015 58.116 58.000 0.218 0.000 1.297 10 F CB -1.209 37.880 39.000 0.148 0.000 1.059 10 F HN -0.328 nan 8.300 nan 0.000 0.624 11 L N 1.410 122.750 121.223 0.195 0.000 2.376 11 L HA -0.040 4.300 4.340 -0.001 0.000 0.219 11 L C 2.328 179.338 176.870 0.234 0.000 1.133 11 L CA 1.144 56.059 54.840 0.125 0.000 0.816 11 L CB -0.693 41.207 42.059 -0.265 0.000 0.933 11 L HN 0.443 nan 8.230 nan 0.000 0.449 12 S N -0.506 115.317 115.700 0.206 0.000 2.603 12 S HA -0.053 4.417 4.470 -0.001 0.000 0.229 12 S C 1.938 176.631 174.600 0.154 0.000 0.972 12 S CA 0.558 58.881 58.200 0.206 0.000 0.935 12 S CB -0.428 62.872 63.200 0.167 0.000 0.769 12 S HN 0.430 nan 8.310 nan 0.000 0.536 13 G N 1.361 110.248 108.800 0.146 0.000 2.432 13 G HA2 -0.040 3.919 3.960 -0.001 0.000 0.219 13 G HA3 -0.040 3.919 3.960 -0.001 0.000 0.219 13 G C 1.240 176.155 174.900 0.024 0.000 1.135 13 G CA 0.987 46.139 45.100 0.087 0.000 0.767 13 G HN 0.530 nan 8.290 nan 0.000 0.550 14 L N -1.801 119.419 121.223 -0.004 0.000 2.362 14 L HA 0.511 4.850 4.340 -0.001 0.000 0.204 14 L C 1.544 178.238 176.870 -0.293 0.000 1.060 14 L CA 0.784 55.494 54.840 -0.216 0.000 0.827 14 L CB -0.059 41.767 42.059 -0.388 0.000 1.027 14 L HN 0.121 nan 8.230 nan 0.000 0.474 15 F N 0.320 120.291 119.950 0.036 0.000 2.693 15 F HA 0.430 4.956 4.527 -0.001 0.000 0.303 15 F C 1.455 177.385 175.800 0.216 0.000 1.097 15 F CA -0.118 57.947 58.000 0.108 0.000 1.330 15 F CB -0.391 38.577 39.000 -0.053 0.000 1.067 15 F HN 0.095 nan 8.300 nan 0.000 0.565 16 G N 0.153 109.100 108.800 0.244 0.000 2.442 16 G HA2 0.267 4.226 3.960 -0.001 0.000 0.249 16 G HA3 0.267 4.226 3.960 -0.001 0.000 0.249 16 G C -0.862 174.120 174.900 0.135 0.000 1.263 16 G CA 0.044 45.261 45.100 0.194 0.000 0.846 16 G HN 0.105 nan 8.290 nan 0.000 0.555 17 D N 0.512 120.978 120.400 0.110 0.000 2.823 17 D HA 0.092 4.731 4.640 -0.001 0.000 0.255 17 D C 1.584 177.916 176.300 0.054 0.000 1.257 17 D CA -0.140 53.895 54.000 0.057 0.000 0.803 17 D CB 0.309 41.121 40.800 0.019 0.000 1.384 17 D HN 0.278 nan 8.370 nan 0.000 0.541 18 S N 0.559 116.290 115.700 0.052 0.000 2.419 18 S HA -0.181 4.289 4.470 -0.001 0.000 0.233 18 S C 1.644 176.266 174.600 0.037 0.000 1.016 18 S CA 0.867 59.096 58.200 0.048 0.000 0.974 18 S CB 0.101 63.324 63.200 0.039 0.000 0.786 18 S HN 0.512 nan 8.310 nan 0.000 0.492 19 E N 0.755 120.972 120.200 0.027 0.000 2.047 19 E HA -0.095 4.254 4.350 -0.001 0.000 0.191 19 E C 1.844 178.456 176.600 0.020 0.000 0.987 19 E CA 1.196 57.605 56.400 0.015 0.000 0.799 19 E CB -0.060 29.645 29.700 0.008 0.000 0.752 19 E HN 0.441 nan 8.360 nan 0.000 0.449 20 I N 1.163 121.758 120.570 0.041 0.000 2.286 20 I HA -0.213 3.957 4.170 -0.001 0.000 0.245 20 I C 2.422 178.629 176.117 0.151 0.000 1.104 20 I CA 1.029 62.377 61.300 0.080 0.000 1.397 20 I CB -0.789 37.263 38.000 0.086 0.000 1.072 20 I HN 0.254 nan 8.210 nan 0.000 0.417 21 I N 0.502 121.154 120.570 0.138 0.000 2.264 21 I HA -0.272 3.898 4.170 -0.001 0.000 0.248 21 I C 2.553 178.765 176.117 0.158 0.000 1.111 21 I CA 1.108 62.522 61.300 0.191 0.000 1.382 21 I CB -0.416 37.654 38.000 0.115 0.000 1.060 21 I HN 0.272 nan 8.210 nan 0.000 0.418 22 E N 1.150 121.390 120.200 0.066 0.000 2.160 22 E HA -0.223 4.126 4.350 -0.001 0.000 0.195 22 E C 2.041 178.616 176.600 -0.043 0.000 0.991 22 E CA 1.266 57.676 56.400 0.017 0.000 0.810 22 E CB -0.008 29.689 29.700 -0.004 0.000 0.742 22 E HN 0.299 nan 8.360 nan 0.000 0.466 23 L N -0.097 121.054 121.223 -0.120 0.000 2.549 23 L HA -0.095 4.244 4.340 -0.001 0.000 0.230 23 L C 1.153 177.648 176.870 -0.625 0.000 1.162 23 L CA 1.147 55.769 54.840 -0.363 0.000 0.834 23 L CB -0.603 41.171 42.059 -0.476 0.000 0.947 23 L HN 0.093 nan 8.230 nan 0.000 0.452 24 F N -2.042 117.900 119.950 -0.014 0.000 2.698 24 F HA 0.232 4.758 4.527 -0.001 0.000 0.304 24 F C 1.380 177.165 175.800 -0.026 0.000 1.108 24 F CA -0.654 57.334 58.000 -0.019 0.000 1.263 24 F CB -0.359 38.636 39.000 -0.008 0.000 1.013 24 F HN -0.093 nan 8.300 nan 0.000 0.532 25 S N 0.265 116.007 115.700 0.069 0.000 2.593 25 S HA 0.468 4.937 4.470 -0.001 0.000 0.269 25 S C 1.542 176.147 174.600 0.009 0.000 1.334 25 S CA -0.160 58.063 58.200 0.038 0.000 1.015 25 S CB 1.591 64.800 63.200 0.014 0.000 0.912 25 S HN 0.234 nan 8.310 nan 0.000 0.541 26 A N 2.084 124.904 122.820 0.000 0.000 1.883 26 A HA -0.168 4.151 4.320 -0.001 0.000 0.217 26 A C 2.156 179.731 177.584 -0.015 0.000 1.186 26 A CA 2.011 54.038 52.037 -0.017 0.000 0.624 26 A CB -1.053 17.933 19.000 -0.023 0.000 0.822 26 A HN 1.007 nan 8.150 nan 0.000 0.444 27 K N -0.284 120.110 120.400 -0.011 0.000 2.032 27 K HA -0.138 4.181 4.320 -0.001 0.000 0.209 27 K C 2.106 178.700 176.600 -0.010 0.000 1.048 27 K CA 1.577 57.861 56.287 -0.005 0.000 0.927 27 K CB -0.402 32.093 32.500 -0.008 0.000 0.712 27 K HN 0.350 nan 8.250 nan 0.000 0.441 28 A N 1.333 124.136 122.820 -0.028 0.000 1.902 28 A HA -0.209 4.110 4.320 -0.001 0.000 0.217 28 A C 1.983 179.534 177.584 -0.055 0.000 1.181 28 A CA 1.944 53.950 52.037 -0.052 0.000 0.623 28 A CB -0.837 18.109 19.000 -0.090 0.000 0.818 28 A HN 0.590 nan 8.150 nan 0.000 0.443 29 D N 0.317 120.684 120.400 -0.055 0.000 2.087 29 D HA -0.163 4.477 4.640 -0.001 0.000 0.192 29 D C 1.777 178.059 176.300 -0.030 0.000 0.993 29 D CA 1.673 55.641 54.000 -0.054 0.000 0.828 29 D CB -0.335 40.429 40.800 -0.060 0.000 0.968 29 D HN 0.462 nan 8.370 nan 0.000 0.448 30 I N 0.690 121.255 120.570 -0.008 0.000 2.286 30 I HA -0.242 3.927 4.170 -0.001 0.000 0.248 30 I C 1.916 178.058 176.117 0.042 0.000 1.115 30 I CA 1.075 62.392 61.300 0.028 0.000 1.392 30 I CB -0.211 37.831 38.000 0.070 0.000 1.065 30 I HN -0.012 nan 8.210 nan 0.000 0.418 31 D N 1.020 121.439 120.400 0.031 0.000 2.144 31 D HA -0.149 4.491 4.640 -0.001 0.000 0.199 31 D C 2.240 178.553 176.300 0.021 0.000 0.984 31 D CA 1.599 55.618 54.000 0.031 0.000 0.834 31 D CB -0.096 40.712 40.800 0.013 0.000 0.955 31 D HN 0.369 nan 8.370 nan 0.000 0.465 32 A N 0.250 123.074 122.820 0.006 0.000 2.014 32 A HA -0.059 4.261 4.320 -0.001 0.000 0.218 32 A C 2.215 179.830 177.584 0.052 0.000 1.163 32 A CA 0.773 52.820 52.037 0.017 0.000 0.652 32 A CB -0.351 18.643 19.000 -0.010 0.000 0.808 32 A HN 0.136 nan 8.150 nan 0.000 0.449 33 M N -0.841 118.777 119.600 0.029 0.000 2.200 33 M HA -0.021 4.458 4.480 -0.001 0.000 0.265 33 M C 2.002 178.344 176.300 0.070 0.000 1.066 33 M CA 1.285 56.608 55.300 0.039 0.000 1.127 33 M CB -0.510 32.080 32.600 -0.017 0.000 1.379 33 M HN 0.363 nan 8.290 nan 0.000 0.420 34 I N -0.209 120.371 120.570 0.017 0.000 2.226 34 I HA -0.296 3.873 4.170 -0.001 0.000 0.245 34 I C 2.716 178.850 176.117 0.028 0.000 1.100 34 I CA 1.200 62.488 61.300 -0.021 0.000 1.374 34 I CB -0.445 37.542 38.000 -0.022 0.000 1.057 34 I HN 0.248 nan 8.210 nan 0.000 0.413 35 R N 0.151 120.680 120.500 0.049 0.000 2.096 35 R HA -0.237 4.102 4.340 -0.001 0.000 0.240 35 R C 2.372 178.712 176.300 0.066 0.000 1.139 35 R CA 2.023 58.151 56.100 0.046 0.000 0.952 35 R CB -0.942 29.385 30.300 0.045 0.000 0.854 35 R HN 0.321 nan 8.270 nan 0.000 0.436 36 F N 2.308 122.244 119.950 -0.023 0.000 2.095 36 F HA -0.214 4.313 4.527 -0.001 0.000 0.298 36 F C 2.263 178.046 175.800 -0.027 0.000 1.104 36 F CA 1.659 59.644 58.000 -0.025 0.000 1.232 36 F CB -0.006 38.997 39.000 0.005 0.000 0.987 36 F HN -0.041 nan 8.300 nan 0.000 0.475 37 E N -0.441 119.861 120.200 0.170 0.000 2.152 37 E HA -0.102 4.247 4.350 -0.001 0.000 0.192 37 E C 2.240 178.830 176.600 -0.018 0.000 0.983 37 E CA 1.442 57.900 56.400 0.097 0.000 0.818 37 E CB -0.618 29.172 29.700 0.149 0.000 0.758 37 E HN 0.417 nan 8.360 nan 0.000 0.467 38 T N 1.297 115.835 114.554 -0.027 0.000 2.701 38 T HA -0.069 4.280 4.350 -0.001 0.000 0.263 38 T C 1.994 176.653 174.700 -0.069 0.000 1.040 38 T CA 1.460 63.541 62.100 -0.032 0.000 1.147 38 T CB -0.163 68.693 68.868 -0.020 0.000 0.865 38 T HN 0.250 nan 8.240 nan 0.000 0.426 39 A N 1.080 123.827 122.820 -0.122 0.000 1.972 39 A HA 0.013 4.332 4.320 -0.001 0.000 0.219 39 A C 2.234 179.666 177.584 -0.254 0.000 1.169 39 A CA 1.165 53.098 52.037 -0.173 0.000 0.635 39 A CB -0.773 18.117 19.000 -0.184 0.000 0.810 39 A HN 0.414 nan 8.150 nan 0.000 0.446 40 L N -0.210 120.794 121.223 -0.366 0.000 2.017 40 L HA -0.095 4.245 4.340 -0.001 0.000 0.208 40 L C 2.692 179.483 176.870 -0.132 0.000 1.073 40 L CA 2.257 56.861 54.840 -0.394 0.000 0.745 40 L CB -0.636 41.138 42.059 -0.475 0.000 0.894 40 L HN 0.326 nan 8.230 nan 0.000 0.432 41 A N -1.174 121.645 122.820 -0.001 0.000 1.933 41 A HA -0.263 4.056 4.320 -0.001 0.000 0.218 41 A C 2.192 179.809 177.584 0.056 0.000 1.175 41 A CA 1.906 54.047 52.037 0.175 0.000 0.628 41 A CB -0.596 18.518 19.000 0.189 0.000 0.814 41 A HN 0.681 nan 8.150 nan 0.000 0.444 42 Q N -0.789 118.996 119.800 -0.026 0.000 2.172 42 Q HA 0.010 4.349 4.340 -0.001 0.000 0.200 42 Q C 2.357 178.293 176.000 -0.107 0.000 0.964 42 Q CA 1.126 56.895 55.803 -0.055 0.000 0.855 42 Q CB -0.325 28.380 28.738 -0.055 0.000 0.918 42 Q HN 0.691 nan 8.270 nan 0.000 0.444 43 A N 1.262 123.997 122.820 -0.143 0.000 1.898 43 A HA -0.199 4.121 4.320 -0.001 0.000 0.216 43 A C 1.769 179.248 177.584 -0.176 0.000 1.181 43 A CA 1.325 53.266 52.037 -0.160 0.000 0.620 43 A CB -0.258 18.618 19.000 -0.208 0.000 0.819 43 A HN 0.292 nan 8.150 nan 0.000 0.442 44 E N -0.234 119.831 120.200 -0.225 0.000 2.152 44 E HA -0.000 4.349 4.350 -0.001 0.000 0.192 44 E C 2.186 178.459 176.600 -0.545 0.000 0.983 44 E CA 0.722 56.912 56.400 -0.351 0.000 0.818 44 E CB -0.216 29.269 29.700 -0.358 0.000 0.758 44 E HN 0.610 nan 8.360 nan 0.000 0.467 45 A N 1.251 123.767 122.820 -0.508 0.000 1.969 45 A HA -0.197 4.122 4.320 -0.001 0.000 0.218 45 A C 2.046 179.514 177.584 -0.193 0.000 1.169 45 A CA 1.395 53.219 52.037 -0.355 0.000 0.635 45 A CB -0.239 18.663 19.000 -0.163 0.000 0.810 45 A HN 0.089 nan 8.150 nan 0.000 0.445 46 E N 0.444 120.551 120.200 -0.155 0.000 2.110 46 E HA -0.027 4.322 4.350 -0.001 0.000 0.193 46 E C 1.641 178.183 176.600 -0.096 0.000 0.988 46 E CA 1.378 57.717 56.400 -0.103 0.000 0.804 46 E CB -0.354 29.293 29.700 -0.088 0.000 0.745 46 E HN 0.461 nan 8.360 nan 0.000 0.458 47 A N -0.618 122.132 122.820 -0.116 0.000 2.302 47 A HA 0.239 4.558 4.320 -0.001 0.000 0.219 47 A C 0.640 178.169 177.584 -0.091 0.000 1.243 47 A CA 0.689 52.673 52.037 -0.087 0.000 0.856 47 A CB -0.286 18.672 19.000 -0.069 0.000 0.893 47 A HN 0.098 nan 8.150 nan 0.000 0.491 48 S N -1.390 114.237 115.700 -0.122 0.000 3.635 48 S HA -0.189 4.281 4.470 -0.001 0.000 0.328 48 S C 0.929 175.470 174.600 -0.098 0.000 1.135 48 S CA 0.942 59.082 58.200 -0.100 0.000 0.942 48 S CB -2.181 60.989 63.200 -0.050 0.000 0.930 48 S HN 0.658 nan 8.310 nan 0.000 0.512 49 I N -0.348 120.112 120.570 -0.184 0.000 2.233 49 I HA 0.021 4.190 4.170 -0.001 0.000 0.243 49 I C 1.056 177.146 176.117 -0.045 0.000 1.093 49 I CA 1.413 62.644 61.300 -0.114 0.000 1.380 49 I CB 0.017 37.955 38.000 -0.104 0.000 1.067 49 I HN 0.551 nan 8.210 nan 0.000 0.413 50 F N -0.906 119.042 119.950 -0.003 0.000 2.706 50 F HA 0.813 5.340 4.527 -0.001 0.000 0.328 50 F C 0.018 175.808 175.800 -0.018 0.000 1.123 50 F CA -1.694 56.288 58.000 -0.030 0.000 0.978 50 F CB 0.244 39.207 39.000 -0.062 0.000 1.404 50 F HN -0.289 nan 8.300 nan 0.000 0.497 51 A N 0.454 123.431 122.820 0.261 0.000 2.346 51 A HA 0.267 4.586 4.320 -0.001 0.000 0.252 51 A C 0.687 178.357 177.584 0.142 0.000 1.089 51 A CA -0.051 52.066 52.037 0.133 0.000 0.797 51 A CB -0.172 18.883 19.000 0.092 0.000 1.047 51 A HN 0.831 nan 8.150 nan 0.000 0.494 52 D N 0.125 120.566 120.400 0.068 0.000 2.144 52 D HA -0.125 4.514 4.640 -0.001 0.000 0.200 52 D C 1.303 177.643 176.300 0.067 0.000 0.978 52 D CA 1.946 55.978 54.000 0.052 0.000 0.833 52 D CB -0.274 40.539 40.800 0.021 0.000 0.961 52 D HN 0.777 nan 8.370 nan 0.000 0.470 53 D N 0.250 120.686 120.400 0.059 0.000 2.234 53 D HA -0.117 4.523 4.640 -0.001 0.000 0.205 53 D C 1.767 178.098 176.300 0.051 0.000 0.962 53 D CA 0.586 54.613 54.000 0.045 0.000 0.855 53 D CB -0.399 40.418 40.800 0.028 0.000 0.951 53 D HN 0.082 nan 8.370 nan 0.000 0.500 54 E N 0.304 120.551 120.200 0.080 0.000 2.106 54 E HA -0.038 4.311 4.350 -0.001 0.000 0.192 54 E C 2.020 178.666 176.600 0.076 0.000 0.984 54 E CA 1.303 57.732 56.400 0.048 0.000 0.806 54 E CB -0.247 29.492 29.700 0.065 0.000 0.750 54 E HN 0.364 nan 8.360 nan 0.000 0.458 55 A N 0.088 123.030 122.820 0.203 0.000 1.970 55 A HA -0.070 4.250 4.320 -0.001 0.000 0.216 55 A C 2.006 179.646 177.584 0.093 0.000 1.170 55 A CA 1.176 53.340 52.037 0.213 0.000 0.645 55 A CB -0.287 18.853 19.000 0.233 0.000 0.816 55 A HN 0.239 nan 8.150 nan 0.000 0.447 56 E N -0.300 119.939 120.200 0.066 0.000 2.274 56 E HA 0.020 4.369 4.350 -0.001 0.000 0.194 56 E C 1.993 178.609 176.600 0.026 0.000 0.996 56 E CA 0.629 57.051 56.400 0.037 0.000 0.840 56 E CB -0.116 29.602 29.700 0.029 0.000 0.772 56 E HN 0.585 nan 8.360 nan 0.000 0.491 57 A N 0.429 123.262 122.820 0.023 0.000 2.014 57 A HA -0.099 4.221 4.320 -0.001 0.000 0.218 57 A C 1.977 179.566 177.584 0.008 0.000 1.163 57 A CA 0.714 52.757 52.037 0.010 0.000 0.652 57 A CB -0.279 18.720 19.000 -0.002 0.000 0.808 57 A HN 0.214 nan 8.150 nan 0.000 0.449 58 I N -0.731 119.845 120.570 0.010 0.000 2.233 58 I HA -0.162 4.007 4.170 -0.001 0.000 0.243 58 I C 2.328 178.452 176.117 0.011 0.000 1.093 58 I CA 0.856 62.160 61.300 0.006 0.000 1.380 58 I CB -0.320 37.688 38.000 0.012 0.000 1.067 58 I HN 0.129 nan 8.210 nan 0.000 0.413 59 V N 0.896 120.821 119.914 0.019 0.000 2.282 59 V HA -0.324 3.795 4.120 -0.001 0.000 0.249 59 V C 2.669 178.773 176.094 0.018 0.000 1.057 59 V CA 2.489 64.798 62.300 0.015 0.000 1.032 59 V CB -0.933 30.899 31.823 0.014 0.000 0.645 59 V HN 0.629 nan 8.190 nan 0.000 0.447 60 S N 0.654 116.367 115.700 0.021 0.000 2.395 60 S HA -0.014 4.456 4.470 -0.001 0.000 0.225 60 S C 2.072 176.693 174.600 0.035 0.000 1.027 60 S CA 1.168 59.383 58.200 0.025 0.000 0.965 60 S CB -0.528 62.684 63.200 0.020 0.000 0.812 60 S HN 0.534 nan 8.310 nan 0.000 0.482 61 G N 1.330 110.150 108.800 0.034 0.000 2.470 61 G HA2 0.058 4.017 3.960 -0.001 0.000 0.220 61 G HA3 0.058 4.017 3.960 -0.001 0.000 0.220 61 G C 1.275 176.224 174.900 0.083 0.000 1.121 61 G CA 0.699 45.830 45.100 0.050 0.000 0.766 61 G HN 0.555 nan 8.290 nan 0.000 0.553 62 L N 0.491 121.748 121.223 0.057 0.000 2.693 62 L HA 0.194 4.533 4.340 -0.001 0.000 0.235 62 L C 2.336 179.266 176.870 0.100 0.000 1.127 62 L CA -0.118 54.761 54.840 0.065 0.000 0.914 62 L CB 0.504 42.533 42.059 -0.049 0.000 1.193 62 L HN 0.085 nan 8.230 nan 0.000 0.502 63 S N 0.446 116.193 115.700 0.079 0.000 2.387 63 S HA -0.092 4.377 4.470 -0.001 0.000 0.226 63 S C 1.054 175.704 174.600 0.083 0.000 1.026 63 S CA 0.882 59.122 58.200 0.067 0.000 0.972 63 S CB -0.076 63.150 63.200 0.042 0.000 0.814 63 S HN 0.539 nan 8.310 nan 0.000 0.477 64 E N 0.512 120.769 120.200 0.095 0.000 2.663 64 E HA 0.266 4.615 4.350 -0.001 0.000 0.240 64 E C -0.960 175.709 176.600 0.114 0.000 1.227 64 E CA -0.452 55.994 56.400 0.076 0.000 1.528 64 E CB -0.172 29.554 29.700 0.044 0.000 1.472 64 E HN 0.297 nan 8.360 nan 0.000 0.433 65 F N 2.122 122.072 119.950 -0.000 0.000 2.415 65 F HA 0.543 5.069 4.527 -0.001 0.000 0.348 65 F C -0.620 175.177 175.800 -0.005 0.000 1.119 65 F CA -0.785 57.215 58.000 -0.001 0.000 1.069 65 F CB 1.234 40.236 39.000 0.003 0.000 1.124 65 F HN 0.202 nan 8.300 nan 0.000 0.472 66 A N 4.928 127.333 122.820 -0.692 0.000 2.356 66 A HA 0.812 5.131 4.320 -0.001 0.000 0.310 66 A C -0.954 176.147 177.584 -0.805 0.000 1.075 66 A CA -0.484 51.242 52.037 -0.519 0.000 0.746 66 A CB 0.742 19.580 19.000 -0.270 0.000 1.221 66 A HN 1.103 nan 8.150 nan 0.000 0.443 67 A N 1.789 124.329 122.820 -0.467 0.000 2.388 67 A HA 0.490 4.809 4.320 -0.001 0.000 0.257 67 A C -0.040 177.428 177.584 -0.193 0.000 1.095 67 A CA -0.227 51.636 52.037 -0.291 0.000 0.791 67 A CB 0.110 19.101 19.000 -0.015 0.000 1.029 67 A HN 0.766 nan 8.150 nan 0.000 0.489 68 D N 2.516 122.832 120.400 -0.141 0.000 2.359 68 D HA 0.181 4.820 4.640 -0.001 0.000 0.250 68 D C 0.809 177.065 176.300 -0.073 0.000 1.264 68 D CA -0.101 53.845 54.000 -0.091 0.000 0.911 68 D CB 0.503 41.267 40.800 -0.059 0.000 1.056 68 D HN 0.438 nan 8.370 nan 0.000 0.499 69 M N 2.918 122.469 119.600 -0.082 0.000 2.200 69 M HA -0.146 4.333 4.480 -0.001 0.000 0.265 69 M C 1.993 178.214 176.300 -0.132 0.000 1.066 69 M CA 1.266 56.515 55.300 -0.084 0.000 1.127 69 M CB -0.124 32.432 32.600 -0.073 0.000 1.379 69 M HN 0.396 nan 8.290 nan 0.000 0.420 70 S N -0.132 115.475 115.700 -0.156 0.000 2.368 70 S HA -0.027 4.442 4.470 -0.001 0.000 0.224 70 S C 2.145 176.465 174.600 -0.467 0.000 1.029 70 S CA 0.980 59.002 58.200 -0.297 0.000 0.988 70 S CB -1.101 61.982 63.200 -0.194 0.000 0.838 70 S HN 0.506 nan 8.310 nan 0.000 0.462 71 A N 2.079 124.784 122.820 -0.192 0.000 1.933 71 A HA 0.126 4.446 4.320 -0.001 0.000 0.218 71 A C 2.340 179.885 177.584 -0.066 0.000 1.175 71 A CA 1.376 53.375 52.037 -0.064 0.000 0.628 71 A CB -0.877 18.132 19.000 0.016 0.000 0.814 71 A HN 0.551 nan 8.150 nan 0.000 0.444 72 L N -1.093 120.081 121.223 -0.081 0.000 2.046 72 L HA -0.190 4.149 4.340 -0.001 0.000 0.208 72 L C 2.850 179.679 176.870 -0.069 0.000 1.077 72 L CA 1.790 56.600 54.840 -0.050 0.000 0.747 72 L CB -0.499 41.536 42.059 -0.040 0.000 0.896 72 L HN 0.508 nan 8.230 nan 0.000 0.432 73 R N -0.631 119.782 120.500 -0.145 0.000 2.081 73 R HA -0.181 4.158 4.340 -0.001 0.000 0.235 73 R C 2.331 178.607 176.300 -0.039 0.000 1.131 73 R CA 1.416 57.442 56.100 -0.124 0.000 0.960 73 R CB -0.213 29.975 30.300 -0.188 0.000 0.856 73 R HN 0.425 nan 8.270 nan 0.000 0.436 74 H N -0.787 118.284 119.070 0.001 0.000 2.456 74 H HA -0.017 4.538 4.556 -0.001 0.000 0.296 74 H C 1.968 177.300 175.328 0.007 0.000 1.079 74 H CA 1.244 57.295 56.048 0.004 0.000 1.322 74 H CB -0.619 29.145 29.762 0.003 0.000 1.388 74 H HN 0.458 nan 8.280 nan 0.000 0.538 75 G N 0.585 109.447 108.800 0.103 0.000 2.402 75 G HA2 -0.192 3.767 3.960 -0.001 0.000 0.216 75 G HA3 -0.192 3.767 3.960 -0.001 0.000 0.216 75 G C 1.852 176.781 174.900 0.048 0.000 1.162 75 G CA 1.380 46.517 45.100 0.060 0.000 0.777 75 G HN 0.466 nan 8.290 nan 0.000 0.539 76 V N -0.371 119.565 119.914 0.036 0.000 3.041 76 V HA 0.368 4.488 4.120 -0.001 0.000 0.260 76 V C 2.663 178.789 176.094 0.054 0.000 1.105 76 V CA 1.740 64.064 62.300 0.040 0.000 1.125 76 V CB -0.187 31.650 31.823 0.023 0.000 0.730 76 V HN 0.368 nan 8.190 nan 0.000 0.479 77 A N -0.194 122.666 122.820 0.066 0.000 1.970 77 A HA -0.000 4.319 4.320 -0.001 0.000 0.216 77 A C 2.350 179.965 177.584 0.052 0.000 1.170 77 A CA 1.563 53.638 52.037 0.064 0.000 0.645 77 A CB -0.464 18.588 19.000 0.087 0.000 0.816 77 A HN 0.489 nan 8.150 nan 0.000 0.447 78 K N -0.250 120.184 120.400 0.056 0.000 2.021 78 K HA -0.080 4.240 4.320 -0.001 0.000 0.205 78 K C 0.797 177.421 176.600 0.040 0.000 1.047 78 K CA 1.562 57.874 56.287 0.042 0.000 0.943 78 K CB -0.108 32.418 32.500 0.043 0.000 0.725 78 K HN 0.502 nan 8.250 nan 0.000 0.439 79 D N -1.700 118.727 120.400 0.046 0.000 2.392 79 D HA 0.063 4.703 4.640 -0.001 0.000 0.206 79 D C 0.971 177.306 176.300 0.058 0.000 1.046 79 D CA 0.863 54.892 54.000 0.049 0.000 0.865 79 D CB 0.984 41.813 40.800 0.049 0.000 0.969 79 D HN 0.472 nan 8.370 nan 0.000 0.509 80 G N 1.076 109.912 108.800 0.060 0.000 2.175 80 G HA2 -0.235 3.724 3.960 -0.001 0.000 0.244 80 G HA3 -0.235 3.724 3.960 -0.001 0.000 0.244 80 G C 0.085 175.050 174.900 0.108 0.000 0.982 80 G CA 0.271 45.413 45.100 0.071 0.000 0.641 80 G HN 0.350 nan 8.290 nan 0.000 0.527 81 V N 0.170 120.139 119.914 0.093 0.000 3.048 81 V HA 0.483 4.602 4.120 -0.001 0.000 0.303 81 V C 1.445 177.559 176.094 0.033 0.000 1.214 81 V CA 0.028 62.388 62.300 0.099 0.000 0.984 81 V CB 2.148 34.070 31.823 0.164 0.000 1.054 81 V HN 0.543 nan 8.190 nan 0.000 0.430 82 V N 3.726 123.627 119.914 -0.021 0.000 2.515 82 V HA -0.086 4.033 4.120 -0.001 0.000 0.250 82 V C 2.243 178.320 176.094 -0.028 0.000 1.058 82 V CA 2.100 64.379 62.300 -0.036 0.000 1.064 82 V CB -0.720 31.062 31.823 -0.068 0.000 0.675 82 V HN 0.930 nan 8.190 nan 0.000 0.461 83 V N 0.332 120.228 119.914 -0.031 0.000 2.548 83 V HA 0.024 4.144 4.120 -0.001 0.000 0.249 83 V C 0.241 176.261 176.094 -0.122 0.000 1.055 83 V CA 1.865 64.114 62.300 -0.084 0.000 1.065 83 V CB -1.346 30.417 31.823 -0.100 0.000 0.681 83 V HN 0.489 nan 8.190 nan 0.000 0.462 84 P HA -0.115 nan 4.420 nan 0.000 0.217 84 P C 1.639 178.917 177.300 -0.036 0.000 1.150 84 P CA 1.842 64.907 63.100 -0.058 0.000 0.832 84 P CB 0.037 31.735 31.700 -0.003 0.000 0.787 85 E N -0.157 120.037 120.200 -0.011 0.000 2.072 85 E HA -0.157 4.192 4.350 -0.001 0.000 0.191 85 E C 1.806 178.416 176.600 0.016 0.000 0.985 85 E CA 0.818 57.224 56.400 0.011 0.000 0.801 85 E CB -1.270 28.445 29.700 0.025 0.000 0.750 85 E HN 0.001 nan 8.360 nan 0.000 0.452 86 L N 0.179 121.400 121.223 -0.003 0.000 2.042 86 L HA -0.134 4.206 4.340 -0.001 0.000 0.210 86 L C 2.011 178.856 176.870 -0.041 0.000 1.076 86 L CA 1.520 56.365 54.840 0.009 0.000 0.749 86 L CB -0.520 41.524 42.059 -0.024 0.000 0.893 86 L HN 0.212 nan 8.230 nan 0.000 0.432 87 I N -0.327 120.178 120.570 -0.110 0.000 2.226 87 I HA -0.256 3.914 4.170 -0.001 0.000 0.245 87 I C 2.699 178.790 176.117 -0.043 0.000 1.100 87 I CA 1.264 62.488 61.300 -0.126 0.000 1.374 87 I CB -1.378 36.482 38.000 -0.235 0.000 1.057 87 I HN 0.416 nan 8.210 nan 0.000 0.413 88 R N 0.678 121.169 120.500 -0.015 0.000 2.105 88 R HA -0.207 4.132 4.340 -0.001 0.000 0.239 88 R C 2.204 178.537 176.300 0.056 0.000 1.135 88 R CA 1.561 57.673 56.100 0.020 0.000 0.967 88 R CB -0.026 30.288 30.300 0.023 0.000 0.861 88 R HN 0.508 nan 8.270 nan 0.000 0.442 89 Q N -0.509 119.349 119.800 0.097 0.000 2.119 89 Q HA -0.111 4.228 4.340 -0.001 0.000 0.201 89 Q C 2.183 178.352 176.000 0.282 0.000 0.972 89 Q CA 1.533 57.460 55.803 0.207 0.000 0.847 89 Q CB -0.004 28.921 28.738 0.311 0.000 0.903 89 Q HN 0.386 nan 8.270 nan 0.000 0.433 90 M N -0.051 119.596 119.600 0.078 0.000 2.229 90 M HA -0.139 4.340 4.480 -0.001 0.000 0.264 90 M C 1.976 178.269 176.300 -0.012 0.000 1.063 90 M CA 1.353 56.577 55.300 -0.127 0.000 1.114 90 M CB -0.095 32.311 32.600 -0.322 0.000 1.387 90 M HN 0.103 nan 8.290 nan 0.000 0.420 91 R N -0.013 120.494 120.500 0.012 0.000 2.115 91 R HA -0.018 4.322 4.340 -0.001 0.000 0.230 91 R C 2.182 178.504 176.300 0.037 0.000 1.111 91 R CA 1.280 57.389 56.100 0.015 0.000 0.976 91 R CB -0.374 29.933 30.300 0.012 0.000 0.870 91 R HN 0.334 nan 8.270 nan 0.000 0.445 92 A N 0.885 123.747 122.820 0.070 0.000 2.119 92 A HA 0.072 4.391 4.320 -0.001 0.000 0.217 92 A C 2.097 179.733 177.584 0.086 0.000 1.153 92 A CA 1.227 53.306 52.037 0.071 0.000 0.692 92 A CB -0.112 18.933 19.000 0.075 0.000 0.799 92 A HN 0.335 nan 8.150 nan 0.000 0.458 93 A N -0.785 122.115 122.820 0.133 0.000 2.178 93 A HA 0.436 4.756 4.320 -0.001 0.000 0.211 93 A C 0.613 178.244 177.584 0.080 0.000 1.157 93 A CA 0.327 52.448 52.037 0.141 0.000 0.780 93 A CB -0.063 19.111 19.000 0.289 0.000 0.828 93 A HN 0.229 nan 8.150 nan 0.000 0.476 94 V N 0.894 120.837 119.914 0.047 0.000 2.394 94 V HA 0.578 4.698 4.120 -0.001 0.000 0.282 94 V C 0.560 176.659 176.094 0.007 0.000 1.031 94 V CA -0.613 61.698 62.300 0.018 0.000 0.881 94 V CB 0.921 32.741 31.823 -0.006 0.000 0.982 94 V HN 0.428 nan 8.190 nan 0.000 0.451 95 A N 4.018 126.840 122.820 0.004 0.000 2.340 95 A HA 0.816 5.135 4.320 -0.001 0.000 0.268 95 A C 0.923 178.498 177.584 -0.015 0.000 1.100 95 A CA 0.562 52.598 52.037 -0.002 0.000 0.803 95 A CB 0.169 19.170 19.000 0.002 0.000 1.043 95 A HN 2.064 nan 8.150 nan 0.000 0.488 96 G N 1.157 109.948 108.800 -0.016 0.000 2.593 96 G HA2 -0.247 3.712 3.960 -0.001 0.000 0.237 96 G HA3 -0.247 3.712 3.960 -0.001 0.000 0.237 96 G C 0.496 175.372 174.900 -0.039 0.000 1.312 96 G CA 0.542 45.628 45.100 -0.025 0.000 0.896 96 G HN 1.356 nan 8.290 nan 0.000 0.574 97 Q N -0.213 119.557 119.800 -0.050 0.000 2.369 97 Q HA 0.409 4.749 4.340 -0.001 0.000 0.206 97 Q C 2.698 178.629 176.000 -0.114 0.000 0.963 97 Q CA 1.928 57.687 55.803 -0.072 0.000 0.894 97 Q CB -0.172 28.524 28.738 -0.069 0.000 0.965 97 Q HN 1.390 nan 8.270 nan 0.000 0.475 98 A N 1.613 124.366 122.820 -0.112 0.000 2.070 98 A HA 0.035 4.355 4.320 -0.001 0.000 0.220 98 A C 2.351 179.843 177.584 -0.153 0.000 1.159 98 A CA 1.236 53.177 52.037 -0.160 0.000 0.656 98 A CB -0.660 18.278 19.000 -0.103 0.000 0.800 98 A HN 0.481 nan 8.150 nan 0.000 0.453 99 A N -0.290 122.473 122.820 -0.094 0.000 2.019 99 A HA -0.136 4.184 4.320 -0.001 0.000 0.219 99 A C 1.595 179.136 177.584 -0.073 0.000 1.164 99 A CA 1.598 53.596 52.037 -0.065 0.000 0.644 99 A CB -0.342 18.639 19.000 -0.033 0.000 0.805 99 A HN 0.423 nan 8.150 nan 0.000 0.449 100 D N -0.483 119.854 120.400 -0.105 0.000 2.363 100 D HA -0.015 4.624 4.640 -0.001 0.000 0.220 100 D C 1.209 177.420 176.300 -0.149 0.000 0.994 100 D CA 0.585 54.525 54.000 -0.100 0.000 0.890 100 D CB 0.123 40.861 40.800 -0.102 0.000 0.906 100 D HN 0.289 nan 8.370 nan 0.000 0.530 101 K N 0.510 120.757 120.400 -0.255 0.000 2.367 101 K HA 0.080 4.399 4.320 -0.001 0.000 0.194 101 K C 0.897 177.436 176.600 -0.103 0.000 1.027 101 K CA -0.070 55.985 56.287 -0.387 0.000 1.075 101 K CB 0.436 32.303 32.500 -1.054 0.000 0.845 101 K HN 0.090 nan 8.250 nan 0.000 0.529 102 V N 0.546 120.448 119.914 -0.019 0.000 2.715 102 V HA 0.095 4.215 4.120 -0.001 0.000 0.299 102 V C 0.619 176.867 176.094 0.257 0.000 1.054 102 V CA 0.182 62.542 62.300 0.101 0.000 1.077 102 V CB 0.376 32.228 31.823 0.048 0.000 0.972 102 V HN 0.750 nan 8.190 nan 0.000 0.484 103 H N 2.221 121.395 119.070 0.174 0.000 3.415 103 H HA -0.240 4.315 4.556 -0.001 0.000 0.213 103 H C -0.246 175.246 175.328 0.273 0.000 1.091 103 H CA 0.963 57.145 56.048 0.224 0.000 1.182 103 H CB -1.984 27.875 29.762 0.162 0.000 1.160 103 H HN 0.919 nan 8.280 nan 0.000 0.319 104 F N 0.811 120.846 119.950 0.141 0.000 2.578 104 F HA 0.324 4.851 4.527 -0.001 0.000 0.381 104 F C 1.695 177.566 175.800 0.118 0.000 1.069 104 F CA 1.730 59.804 58.000 0.122 0.000 1.231 104 F CB 0.206 39.309 39.000 0.172 0.000 1.086 104 F HN 0.407 nan 8.300 nan 0.000 0.564 105 G N 3.516 111.953 108.800 -0.605 0.000 2.234 105 G HA2 -0.191 3.769 3.960 -0.001 0.000 0.260 105 G HA3 -0.191 3.769 3.960 -0.001 0.000 0.260 105 G C -0.022 174.728 174.900 -0.251 0.000 0.987 105 G CA 0.052 44.823 45.100 -0.549 0.000 0.625 105 G HN 1.301 nan 8.290 nan 0.000 0.532 106 A N -1.043 121.670 122.820 -0.177 0.000 2.288 106 A HA 0.942 5.262 4.320 -0.001 0.000 0.328 106 A C 0.161 177.547 177.584 -0.329 0.000 1.123 106 A CA 0.759 52.717 52.037 -0.130 0.000 0.861 106 A CB 1.717 20.795 19.000 0.130 0.000 1.272 106 A HN 1.148 nan 8.150 nan 0.000 0.490 107 T N -1.341 113.137 114.554 -0.127 0.000 2.907 107 T HA 0.434 4.783 4.350 -0.001 0.000 0.290 107 T C 1.321 176.099 174.700 0.130 0.000 1.066 107 T CA 0.267 62.375 62.100 0.013 0.000 1.012 107 T CB 1.253 70.078 68.868 -0.073 0.000 1.184 107 T HN 0.587 nan 8.240 nan 0.000 0.522 108 S N 0.950 116.757 115.700 0.178 0.000 2.374 108 S HA -0.192 4.277 4.470 -0.001 0.000 0.227 108 S C 1.884 176.559 174.600 0.126 0.000 1.037 108 S CA 1.779 60.078 58.200 0.165 0.000 1.024 108 S CB -0.389 62.926 63.200 0.192 0.000 0.861 108 S HN 0.767 nan 8.310 nan 0.000 0.456 109 Q N 0.702 120.493 119.800 -0.014 0.000 2.167 109 Q HA -0.165 4.174 4.340 -0.001 0.000 0.202 109 Q C 1.166 177.070 176.000 -0.160 0.000 0.970 109 Q CA 1.289 56.993 55.803 -0.165 0.000 0.855 109 Q CB -0.071 28.171 28.738 -0.827 0.000 0.911 109 Q HN 0.408 nan 8.270 nan 0.000 0.438 110 D N -0.125 120.190 120.400 -0.142 0.000 2.104 110 D HA -0.178 4.461 4.640 -0.001 0.000 0.194 110 D C 1.823 177.835 176.300 -0.480 0.000 0.994 110 D CA 1.540 55.460 54.000 -0.134 0.000 0.830 110 D CB -0.321 40.538 40.800 0.099 0.000 0.959 110 D HN 0.272 nan 8.370 nan 0.000 0.452 111 V N 0.098 119.663 119.914 -0.582 0.000 2.649 111 V HA -0.052 4.067 4.120 -0.001 0.000 0.248 111 V C 2.026 177.939 176.094 -0.302 0.000 1.054 111 V CA 0.766 62.586 62.300 -0.801 0.000 1.073 111 V CB -0.180 31.297 31.823 -0.576 0.000 0.699 111 V HN 0.099 nan 8.190 nan 0.000 0.463 112 I N 0.217 120.730 120.570 -0.095 0.000 2.277 112 I HA -0.080 4.089 4.170 -0.001 0.000 0.243 112 I C 2.264 178.440 176.117 0.100 0.000 1.094 112 I CA 1.713 63.028 61.300 0.025 0.000 1.393 112 I CB -0.384 37.727 38.000 0.186 0.000 1.078 112 I HN 0.280 nan 8.210 nan 0.000 0.417 113 D N 0.332 120.816 120.400 0.140 0.000 2.144 113 D HA -0.123 4.516 4.640 -0.001 0.000 0.200 113 D C 2.180 178.592 176.300 0.187 0.000 0.978 113 D CA 1.319 55.426 54.000 0.178 0.000 0.833 113 D CB -0.143 40.619 40.800 -0.063 0.000 0.961 113 D HN 0.215 nan 8.370 nan 0.000 0.470 114 T N -0.520 114.079 114.554 0.075 0.000 2.812 114 T HA -0.135 4.214 4.350 -0.001 0.000 0.264 114 T C 1.989 176.766 174.700 0.128 0.000 1.042 114 T CA 1.412 63.606 62.100 0.157 0.000 1.140 114 T CB -0.298 68.686 68.868 0.193 0.000 0.870 114 T HN 0.060 nan 8.240 nan 0.000 0.445 115 S N 1.154 116.881 115.700 0.044 0.000 2.365 115 S HA -0.143 4.327 4.470 -0.001 0.000 0.225 115 S C 2.060 176.680 174.600 0.033 0.000 1.039 115 S CA 1.237 59.452 58.200 0.024 0.000 1.033 115 S CB -0.561 62.625 63.200 -0.023 0.000 0.887 115 S HN 0.305 nan 8.310 nan 0.000 0.447 116 L N 1.499 122.771 121.223 0.082 0.000 2.012 116 L HA -0.026 4.313 4.340 -0.001 0.000 0.210 116 L C 2.438 179.383 176.870 0.125 0.000 1.073 116 L CA 2.100 57.015 54.840 0.124 0.000 0.748 116 L CB -0.694 41.502 42.059 0.227 0.000 0.891 116 L HN 0.339 nan 8.230 nan 0.000 0.431 117 M N -1.229 118.491 119.600 0.199 0.000 2.159 117 M HA -0.181 4.298 4.480 -0.001 0.000 0.263 117 M C 2.382 178.701 176.300 0.032 0.000 1.063 117 M CA 1.566 56.994 55.300 0.214 0.000 1.110 117 M CB -1.011 31.796 32.600 0.345 0.000 1.374 117 M HN 0.327 nan 8.290 nan 0.000 0.411 118 L N -0.567 120.671 121.223 0.024 0.000 2.042 118 L HA -0.247 4.092 4.340 -0.001 0.000 0.210 118 L C 2.527 179.306 176.870 -0.152 0.000 1.076 118 L CA 1.496 56.304 54.840 -0.052 0.000 0.749 118 L CB -0.469 41.587 42.059 -0.006 0.000 0.893 118 L HN 0.306 nan 8.230 nan 0.000 0.432 119 R N -0.808 119.599 120.500 -0.155 0.000 2.210 119 R HA 0.049 4.388 4.340 -0.001 0.000 0.203 119 R C 2.166 178.291 176.300 -0.291 0.000 1.010 119 R CA 0.438 56.392 56.100 -0.242 0.000 1.008 119 R CB -0.004 30.121 30.300 -0.292 0.000 0.923 119 R HN 0.288 nan 8.270 nan 0.000 0.469 120 L N 0.817 121.896 121.223 -0.240 0.000 2.156 120 L HA -0.072 4.268 4.340 -0.001 0.000 0.208 120 L C 2.522 178.998 176.870 -0.656 0.000 1.095 120 L CA 1.090 55.784 54.840 -0.242 0.000 0.770 120 L CB -0.310 41.693 42.059 -0.092 0.000 0.914 120 L HN 0.146 nan 8.230 nan 0.000 0.439 121 K N 0.643 120.416 120.400 -1.045 0.000 2.097 121 K HA -0.181 4.139 4.320 -0.001 0.000 0.206 121 K C 2.115 178.403 176.600 -0.518 0.000 1.049 121 K CA 1.425 56.947 56.287 -1.274 0.000 0.933 121 K CB 0.007 32.006 32.500 -0.834 0.000 0.717 121 K HN 0.248 nan 8.250 nan 0.000 0.442 122 M N -0.072 119.328 119.600 -0.332 0.000 2.200 122 M HA -0.062 4.417 4.480 -0.001 0.000 0.265 122 M C 2.331 178.558 176.300 -0.121 0.000 1.066 122 M CA 1.356 56.546 55.300 -0.184 0.000 1.127 122 M CB -0.141 32.364 32.600 -0.159 0.000 1.379 122 M HN 0.218 nan 8.290 nan 0.000 0.420 123 A N 0.559 123.308 122.820 -0.119 0.000 1.930 123 A HA 0.046 4.366 4.320 -0.001 0.000 0.217 123 A C 2.379 180.021 177.584 0.097 0.000 1.175 123 A CA 1.710 53.755 52.037 0.012 0.000 0.627 123 A CB -0.768 18.290 19.000 0.096 0.000 0.815 123 A HN 0.467 nan 8.150 nan 0.000 0.443 124 A N -0.382 122.507 122.820 0.115 0.000 1.969 124 A HA -0.099 4.220 4.320 -0.001 0.000 0.218 124 A C 1.881 179.557 177.584 0.153 0.000 1.169 124 A CA 1.593 53.782 52.037 0.253 0.000 0.635 124 A CB -0.402 18.875 19.000 0.463 0.000 0.810 124 A HN 0.607 nan 8.150 nan 0.000 0.445 125 E N -0.197 120.038 120.200 0.057 0.000 2.077 125 E HA -0.135 4.215 4.350 -0.001 0.000 0.193 125 E C 1.808 178.438 176.600 0.051 0.000 0.989 125 E CA 1.266 57.696 56.400 0.050 0.000 0.800 125 E CB -0.243 29.460 29.700 0.004 0.000 0.746 125 E HN 0.701 nan 8.360 nan 0.000 0.452 126 I N 0.697 121.288 120.570 0.036 0.000 2.179 126 I HA -0.289 3.880 4.170 -0.001 0.000 0.242 126 I C 2.284 178.433 176.117 0.054 0.000 1.088 126 I CA 1.076 62.397 61.300 0.035 0.000 1.357 126 I CB -0.214 37.799 38.000 0.022 0.000 1.051 126 I HN 0.141 nan 8.210 nan 0.000 0.409 127 I N 0.645 121.261 120.570 0.077 0.000 2.252 127 I HA -0.271 3.899 4.170 -0.001 0.000 0.245 127 I C 2.764 178.932 176.117 0.086 0.000 1.102 127 I CA 1.290 62.639 61.300 0.080 0.000 1.385 127 I CB -0.379 37.679 38.000 0.096 0.000 1.064 127 I HN 0.189 nan 8.210 nan 0.000 0.414 128 A N 0.191 123.073 122.820 0.104 0.000 1.930 128 A HA -0.181 4.139 4.320 -0.001 0.000 0.217 128 A C 2.349 179.985 177.584 0.088 0.000 1.175 128 A CA 2.266 54.366 52.037 0.104 0.000 0.627 128 A CB -0.977 18.096 19.000 0.122 0.000 0.815 128 A HN 0.373 nan 8.150 nan 0.000 0.443 129 T N -0.227 114.374 114.554 0.078 0.000 2.746 129 T HA -0.127 4.222 4.350 -0.001 0.000 0.267 129 T C 2.046 176.799 174.700 0.090 0.000 1.039 129 T CA 1.564 63.710 62.100 0.076 0.000 1.142 129 T CB -0.218 68.685 68.868 0.059 0.000 0.866 129 T HN 0.528 nan 8.240 nan 0.000 0.444 130 R N 0.162 120.704 120.500 0.069 0.000 2.092 130 R HA 0.067 4.406 4.340 -0.001 0.000 0.231 130 R C 2.305 178.661 176.300 0.094 0.000 1.119 130 R CA 0.667 56.805 56.100 0.064 0.000 0.970 130 R CB -0.476 29.844 30.300 0.034 0.000 0.864 130 R HN 0.193 nan 8.270 nan 0.000 0.440 131 L N 0.495 121.770 121.223 0.086 0.000 2.017 131 L HA -0.032 4.307 4.340 -0.001 0.000 0.208 131 L C 2.216 179.137 176.870 0.085 0.000 1.073 131 L CA 2.037 56.927 54.840 0.085 0.000 0.745 131 L CB -1.146 40.966 42.059 0.087 0.000 0.894 131 L HN 0.203 nan 8.230 nan 0.000 0.432 132 G N -1.740 107.113 108.800 0.088 0.000 2.476 132 G HA2 -0.367 3.593 3.960 -0.001 0.000 0.218 132 G HA3 -0.367 3.593 3.960 -0.001 0.000 0.218 132 G C 1.726 176.674 174.900 0.081 0.000 1.164 132 G CA 1.006 46.151 45.100 0.075 0.000 0.768 132 G HN 0.568 nan 8.290 nan 0.000 0.560 133 H N 0.056 119.139 119.070 0.022 0.000 2.389 133 H HA 0.012 4.567 4.556 -0.001 0.000 0.299 133 H C 2.491 177.826 175.328 0.012 0.000 1.081 133 H CA 1.436 57.494 56.048 0.018 0.000 1.345 133 H CB -0.049 29.725 29.762 0.020 0.000 1.393 133 H HN 0.282 nan 8.280 nan 0.000 0.520 134 L N 0.745 122.072 121.223 0.174 0.000 2.109 134 L HA -0.045 4.294 4.340 -0.001 0.000 0.207 134 L C 2.397 179.276 176.870 0.016 0.000 1.086 134 L CA 1.074 55.974 54.840 0.101 0.000 0.760 134 L CB -0.682 41.419 42.059 0.071 0.000 0.910 134 L HN 0.188 nan 8.230 nan 0.000 0.437 135 I N -0.161 120.416 120.570 0.012 0.000 2.208 135 I HA -0.313 3.856 4.170 -0.001 0.000 0.245 135 I C 1.997 178.099 176.117 -0.025 0.000 1.097 135 I CA 1.449 62.743 61.300 -0.009 0.000 1.363 135 I CB -0.470 37.531 38.000 0.002 0.000 1.051 135 I HN 0.307 nan 8.210 nan 0.000 0.413 136 D N 0.173 120.544 120.400 -0.049 0.000 2.117 136 D HA -0.136 4.503 4.640 -0.001 0.000 0.197 136 D C 2.231 178.484 176.300 -0.078 0.000 0.987 136 D CA 1.634 55.583 54.000 -0.085 0.000 0.829 136 D CB -0.372 40.330 40.800 -0.164 0.000 0.961 136 D HN 0.289 nan 8.370 nan 0.000 0.460 137 T N 1.352 115.862 114.554 -0.074 0.000 2.674 137 T HA -0.108 4.241 4.350 -0.001 0.000 0.265 137 T C 1.912 176.616 174.700 0.006 0.000 1.039 137 T CA 0.476 62.563 62.100 -0.023 0.000 1.150 137 T CB -0.185 68.709 68.868 0.043 0.000 0.864 137 T HN -0.009 nan 8.240 nan 0.000 0.427 138 L N 1.257 122.475 121.223 -0.008 0.000 2.056 138 L HA 0.119 4.458 4.340 -0.001 0.000 0.207 138 L C 2.848 179.740 176.870 0.036 0.000 1.078 138 L CA 1.641 56.484 54.840 0.006 0.000 0.749 138 L CB -1.605 40.414 42.059 -0.066 0.000 0.901 138 L HN 0.375 nan 8.230 nan 0.000 0.433 139 G N -1.108 107.697 108.800 0.009 0.000 2.442 139 G HA2 -0.356 3.603 3.960 -0.001 0.000 0.219 139 G HA3 -0.356 3.603 3.960 -0.001 0.000 0.219 139 G C 1.383 176.291 174.900 0.013 0.000 1.141 139 G CA 1.074 46.178 45.100 0.007 0.000 0.763 139 G HN 0.447 nan 8.290 nan 0.000 0.554 140 D N -0.328 120.078 120.400 0.010 0.000 2.117 140 D HA -0.010 4.629 4.640 -0.001 0.000 0.198 140 D C 2.445 178.769 176.300 0.041 0.000 0.982 140 D CA 0.393 54.403 54.000 0.016 0.000 0.828 140 D CB -0.167 40.635 40.800 0.004 0.000 0.967 140 D HN 0.264 nan 8.370 nan 0.000 0.464 141 L N 0.053 121.312 121.223 0.059 0.000 2.012 141 L HA -0.164 4.176 4.340 -0.001 0.000 0.210 141 L C 2.421 179.347 176.870 0.095 0.000 1.073 141 L CA 1.354 56.249 54.840 0.091 0.000 0.748 141 L CB -0.380 41.758 42.059 0.131 0.000 0.891 141 L HN 0.137 nan 8.230 nan 0.000 0.431 142 A N -0.958 121.912 122.820 0.082 0.000 1.933 142 A HA -0.233 4.087 4.320 -0.001 0.000 0.218 142 A C 2.466 180.078 177.584 0.045 0.000 1.175 142 A CA 1.994 54.062 52.037 0.052 0.000 0.628 142 A CB -0.627 18.386 19.000 0.021 0.000 0.814 142 A HN 0.551 nan 8.150 nan 0.000 0.444 143 S N -0.964 114.761 115.700 0.042 0.000 2.446 143 S HA -0.070 4.399 4.470 -0.001 0.000 0.225 143 S C 2.060 176.697 174.600 0.061 0.000 1.016 143 S CA 0.939 59.163 58.200 0.040 0.000 0.943 143 S CB -0.317 62.895 63.200 0.019 0.000 0.786 143 S HN 0.600 nan 8.310 nan 0.000 0.508 144 R N 0.654 121.196 120.500 0.069 0.000 2.057 144 R HA -0.004 4.335 4.340 -0.001 0.000 0.229 144 R C 0.799 177.189 176.300 0.149 0.000 1.136 144 R CA 1.837 57.989 56.100 0.086 0.000 0.952 144 R CB -0.219 30.125 30.300 0.072 0.000 0.848 144 R HN 0.345 nan 8.270 nan 0.000 0.430 145 D N -1.057 119.420 120.400 0.129 0.000 2.369 145 D HA 0.091 4.730 4.640 -0.001 0.000 0.211 145 D C 1.360 177.699 176.300 0.065 0.000 1.077 145 D CA 0.428 54.492 54.000 0.105 0.000 0.842 145 D CB 0.516 41.358 40.800 0.069 0.000 0.947 145 D HN 0.439 nan 8.370 nan 0.000 0.509 146 G N 0.910 109.778 108.800 0.113 0.000 2.479 146 G HA2 -0.276 3.684 3.960 -0.001 0.000 0.220 146 G HA3 -0.276 3.684 3.960 -0.001 0.000 0.220 146 G C 1.330 176.259 174.900 0.048 0.000 1.115 146 G CA 0.879 46.013 45.100 0.056 0.000 0.757 146 G HN 0.444 nan 8.290 nan 0.000 0.560 147 H N 0.069 119.135 119.070 -0.006 0.000 2.548 147 H HA 0.234 4.789 4.556 -0.001 0.000 0.268 147 H C 0.433 175.759 175.328 -0.004 0.000 0.975 147 H CA 0.211 56.255 56.048 -0.007 0.000 1.195 147 H CB -0.001 29.758 29.762 -0.004 0.000 1.397 147 H HN 0.148 nan 8.280 nan 0.000 0.572 148 K N 3.235 123.282 120.400 -0.587 0.000 2.326 148 K HA 0.188 4.507 4.320 -0.001 0.000 0.275 148 K C -2.319 174.170 176.600 -0.185 0.000 1.018 148 K CA -1.763 54.251 56.287 -0.454 0.000 0.962 148 K CB 0.559 32.837 32.500 -0.371 0.000 0.953 148 K HN 0.197 nan 8.250 nan 0.000 0.475 149 P HA 0.016 nan 4.420 nan 0.000 0.267 149 P C -0.684 176.588 177.300 -0.047 0.000 1.200 149 P CA 0.288 63.349 63.100 -0.066 0.000 0.772 149 P CB 0.697 32.369 31.700 -0.047 0.000 0.855 150 L N 1.183 122.385 121.223 -0.034 0.000 2.445 150 L HA 0.286 4.626 4.340 -0.001 0.000 0.262 150 L C -0.068 176.789 176.870 -0.022 0.000 0.974 150 L CA -0.623 54.212 54.840 -0.008 0.000 0.822 150 L CB 2.625 44.680 42.059 -0.006 0.000 1.339 150 L HN 0.225 nan 8.230 nan 0.000 0.409 151 T N 1.816 116.366 114.554 -0.007 0.000 2.737 151 T HA 0.264 4.614 4.350 -0.001 0.000 0.296 151 T C 0.501 175.109 174.700 -0.153 0.000 0.922 151 T CA -0.282 61.746 62.100 -0.119 0.000 1.079 151 T CB 1.052 69.817 68.868 -0.172 0.000 0.892 151 T HN 0.695 nan 8.240 nan 0.000 0.514 152 G N 2.213 110.904 108.800 -0.182 0.000 2.441 152 G HA2 0.357 4.317 3.960 -0.001 0.000 0.243 152 G HA3 0.357 4.317 3.960 -0.001 0.000 0.243 152 G C -1.148 173.582 174.900 -0.283 0.000 1.281 152 G CA -0.211 44.814 45.100 -0.125 0.000 0.854 152 G HN 0.695 nan 8.290 nan 0.000 0.560 153 Y N 0.308 120.614 120.300 0.010 0.000 2.326 153 Y HA 0.442 4.992 4.550 -0.001 0.000 0.329 153 Y C 0.583 176.493 175.900 0.016 0.000 0.973 153 Y CA -0.714 57.395 58.100 0.015 0.000 1.162 153 Y CB 2.331 40.805 38.460 0.023 0.000 1.147 153 Y HN 0.686 nan 8.280 nan 0.000 0.456 154 T N 0.459 115.082 114.554 0.115 0.000 2.792 154 T HA 0.494 4.843 4.350 -0.001 0.000 0.280 154 T C -0.133 174.617 174.700 0.084 0.000 0.990 154 T CA -1.100 61.048 62.100 0.080 0.000 0.960 154 T CB 1.187 70.076 68.868 0.035 0.000 0.939 154 T HN 0.732 nan 8.240 nan 0.000 0.439 155 R N 3.273 123.818 120.500 0.076 0.000 3.251 155 R HA -0.161 4.178 4.340 -0.001 0.000 0.249 155 R C 0.217 176.561 176.300 0.073 0.000 0.949 155 R CA 0.375 56.512 56.100 0.062 0.000 0.645 155 R CB -1.671 28.655 30.300 0.043 0.000 1.065 155 R HN 0.846 nan 8.270 nan 0.000 0.452 156 M N -2.461 117.196 119.600 0.096 0.000 2.682 156 M HA -0.232 4.247 4.480 -0.001 0.000 0.196 156 M C -0.478 175.907 176.300 0.142 0.000 0.542 156 M CA 1.603 56.959 55.300 0.095 0.000 0.593 156 M CB -1.457 31.170 32.600 0.045 0.000 2.183 156 M HN 0.437 nan 8.290 nan 0.000 0.663 157 Q N -0.746 119.170 119.800 0.193 0.000 2.359 157 Q HA 0.753 5.092 4.340 -0.001 0.000 0.274 157 Q C -0.248 175.839 176.000 0.144 0.000 1.074 157 Q CA -0.140 55.765 55.803 0.170 0.000 0.810 157 Q CB 2.165 30.948 28.738 0.075 0.000 1.342 157 Q HN 0.395 nan 8.270 nan 0.000 0.427 158 A N 1.348 124.187 122.820 0.032 0.000 2.567 158 A HA 0.448 4.767 4.320 -0.001 0.000 0.240 158 A C 0.047 177.492 177.584 -0.231 0.000 1.053 158 A CA 0.987 52.810 52.037 -0.357 0.000 0.755 158 A CB -0.018 18.840 19.000 -0.236 0.000 0.978 158 A HN 0.744 nan 8.150 nan 0.000 0.507 159 A N 2.372 125.012 122.820 -0.300 0.000 2.889 159 A HA 0.789 5.108 4.320 -0.001 0.000 0.235 159 A C 0.472 177.964 177.584 -0.153 0.000 1.307 159 A CA -0.296 51.645 52.037 -0.160 0.000 0.917 159 A CB -0.165 18.767 19.000 -0.113 0.000 1.546 159 A HN 1.442 nan 8.150 nan 0.000 0.472 160 I N -1.272 119.237 120.570 -0.101 0.000 3.060 160 I HA 0.527 4.697 4.170 -0.001 0.000 0.285 160 I C 0.749 176.810 176.117 -0.093 0.000 1.190 160 I CA -0.263 60.987 61.300 -0.083 0.000 1.363 160 I CB 0.033 37.999 38.000 -0.056 0.000 1.396 160 I HN 0.541 nan 8.210 nan 0.000 0.607 161 G N 3.720 112.475 108.800 -0.075 0.000 2.406 161 G HA2 0.496 4.456 3.960 -0.001 0.000 0.251 161 G HA3 0.496 4.456 3.960 -0.001 0.000 0.251 161 G C -0.277 174.589 174.900 -0.056 0.000 1.271 161 G CA -0.673 44.387 45.100 -0.068 0.000 0.859 161 G HN 0.854 nan 8.290 nan 0.000 0.540 162 I N -0.770 119.767 120.570 -0.054 0.000 3.617 162 I HA 0.876 5.045 4.170 -0.001 0.000 0.283 162 I C 0.344 176.432 176.117 -0.048 0.000 1.160 162 I CA -1.129 60.141 61.300 -0.049 0.000 1.084 162 I CB 2.001 39.970 38.000 -0.052 0.000 1.365 162 I HN 0.547 nan 8.210 nan 0.000 0.494 163 T N -1.687 112.836 114.554 -0.053 0.000 2.927 163 T HA 0.456 4.805 4.350 -0.001 0.000 0.286 163 T C 0.787 175.442 174.700 -0.076 0.000 1.040 163 T CA -0.622 61.443 62.100 -0.059 0.000 1.010 163 T CB 1.632 70.473 68.868 -0.046 0.000 1.177 163 T HN 0.382 nan 8.240 nan 0.000 0.546 164 V N 1.132 121.000 119.914 -0.077 0.000 2.407 164 V HA -0.048 4.071 4.120 -0.001 0.000 0.248 164 V C 3.139 179.153 176.094 -0.133 0.000 1.055 164 V CA 2.222 64.469 62.300 -0.088 0.000 1.049 164 V CB -1.589 30.205 31.823 -0.048 0.000 0.662 164 V HN 1.047 nan 8.190 nan 0.000 0.455 165 A N -0.128 122.636 122.820 -0.092 0.000 1.972 165 A HA -0.227 4.092 4.320 -0.001 0.000 0.219 165 A C 1.989 179.487 177.584 -0.144 0.000 1.169 165 A CA 1.857 53.835 52.037 -0.098 0.000 0.635 165 A CB -0.507 18.466 19.000 -0.044 0.000 0.810 165 A HN 0.552 nan 8.150 nan 0.000 0.446 166 D N -0.423 119.897 120.400 -0.132 0.000 2.078 166 D HA -0.182 4.458 4.640 -0.001 0.000 0.193 166 D C 2.098 178.269 176.300 -0.214 0.000 0.990 166 D CA 1.766 55.684 54.000 -0.137 0.000 0.827 166 D CB -0.381 40.360 40.800 -0.098 0.000 0.975 166 D HN 0.461 nan 8.370 nan 0.000 0.451 167 R N 1.158 121.497 120.500 -0.268 0.000 2.083 167 R HA -0.109 4.231 4.340 -0.001 0.000 0.237 167 R C 2.077 177.861 176.300 -0.861 0.000 1.137 167 R CA 1.926 57.768 56.100 -0.431 0.000 0.951 167 R CB -0.575 29.516 30.300 -0.349 0.000 0.851 167 R HN 0.113 nan 8.270 nan 0.000 0.434 168 A N 0.167 122.467 122.820 -0.865 0.000 2.019 168 A HA 0.006 4.325 4.320 -0.001 0.000 0.219 168 A C 2.324 179.632 177.584 -0.460 0.000 1.164 168 A CA 1.458 52.929 52.037 -0.942 0.000 0.644 168 A CB -0.826 17.922 19.000 -0.421 0.000 0.805 168 A HN 0.548 nan 8.150 nan 0.000 0.449 169 A N -0.340 122.292 122.820 -0.314 0.000 1.972 169 A HA 0.110 4.429 4.320 -0.001 0.000 0.219 169 A C 2.314 179.813 177.584 -0.142 0.000 1.169 169 A CA 1.712 53.648 52.037 -0.168 0.000 0.635 169 A CB -1.230 17.694 19.000 -0.127 0.000 0.810 169 A HN 0.741 nan 8.150 nan 0.000 0.446 170 G N -1.736 106.931 108.800 -0.222 0.000 2.470 170 G HA2 -0.156 3.803 3.960 -0.001 0.000 0.220 170 G HA3 -0.156 3.803 3.960 -0.001 0.000 0.220 170 G C 1.233 176.185 174.900 0.087 0.000 1.121 170 G CA 0.922 45.962 45.100 -0.100 0.000 0.766 170 G HN 0.633 nan 8.290 nan 0.000 0.553 171 W N -0.095 121.198 121.300 -0.011 0.000 2.574 171 W HA 0.366 5.026 4.660 -0.000 0.000 0.282 171 W C 2.255 178.711 176.519 -0.105 0.000 1.197 171 W CA -0.386 56.923 57.345 -0.060 0.000 1.376 171 W CB -0.831 28.533 29.460 -0.161 0.000 1.091 171 W HN 0.150 nan 8.180 nan 0.000 0.569 172 I N 0.741 121.374 120.570 0.104 0.000 2.277 172 I HA -0.123 4.047 4.170 -0.001 0.000 0.243 172 I C 2.636 178.743 176.117 -0.016 0.000 1.094 172 I CA 1.434 62.749 61.300 0.024 0.000 1.393 172 I CB -0.991 37.011 38.000 0.003 0.000 1.078 172 I HN -0.196 nan 8.210 nan 0.000 0.417 173 A N 1.500 124.303 122.820 -0.030 0.000 1.908 173 A HA -0.107 4.213 4.320 -0.001 0.000 0.218 173 A C -0.036 177.485 177.584 -0.106 0.000 1.181 173 A CA 1.782 53.785 52.037 -0.056 0.000 0.627 173 A CB -1.934 17.037 19.000 -0.049 0.000 0.818 173 A HN 0.286 nan 8.150 nan 0.000 0.445 174 P HA -0.078 nan 4.420 nan 0.000 0.217 174 P C 1.518 178.459 177.300 -0.597 0.000 1.151 174 P CA 0.655 63.574 63.100 -0.302 0.000 0.828 174 P CB -0.179 31.449 31.700 -0.120 0.000 0.788 175 L N -0.127 120.957 121.223 -0.231 0.000 2.042 175 L HA -0.206 4.133 4.340 -0.001 0.000 0.210 175 L C 2.415 179.231 176.870 -0.090 0.000 1.076 175 L CA 1.721 56.510 54.840 -0.085 0.000 0.749 175 L CB -0.950 41.121 42.059 0.020 0.000 0.893 175 L HN 0.059 nan 8.230 nan 0.000 0.432 176 E N -0.193 119.952 120.200 -0.092 0.000 2.110 176 E HA -0.218 4.132 4.350 -0.001 0.000 0.193 176 E C 2.325 178.886 176.600 -0.065 0.000 0.988 176 E CA 0.932 57.300 56.400 -0.053 0.000 0.804 176 E CB -0.059 29.615 29.700 -0.042 0.000 0.745 176 E HN 0.459 nan 8.360 nan 0.000 0.458 177 R N 0.094 120.505 120.500 -0.149 0.000 2.096 177 R HA -0.106 4.234 4.340 -0.001 0.000 0.235 177 R C 2.226 178.507 176.300 -0.032 0.000 1.127 177 R CA 1.101 57.132 56.100 -0.115 0.000 0.968 177 R CB -0.314 29.892 30.300 -0.156 0.000 0.861 177 R HN 0.329 nan 8.270 nan 0.000 0.440 178 H N 0.799 119.885 119.070 0.027 0.000 2.387 178 H HA -0.080 4.476 4.556 -0.000 0.000 0.299 178 H C 2.176 177.526 175.328 0.036 0.000 1.090 178 H CA 0.796 56.858 56.048 0.023 0.000 1.332 178 H CB -0.384 29.387 29.762 0.014 0.000 1.386 178 H HN 0.143 nan 8.280 nan 0.000 0.516 179 L N 0.073 121.380 121.223 0.139 0.000 2.012 179 L HA -0.192 4.147 4.340 -0.001 0.000 0.210 179 L C 2.231 179.162 176.870 0.101 0.000 1.073 179 L CA 1.042 55.946 54.840 0.107 0.000 0.748 179 L CB -0.254 41.849 42.059 0.073 0.000 0.891 179 L HN 0.188 nan 8.230 nan 0.000 0.431 180 L N -0.140 121.130 121.223 0.079 0.000 2.017 180 L HA -0.216 4.123 4.340 -0.001 0.000 0.208 180 L C 2.731 179.660 176.870 0.098 0.000 1.073 180 L CA 1.684 56.569 54.840 0.074 0.000 0.745 180 L CB -0.822 41.266 42.059 0.049 0.000 0.894 180 L HN 0.168 nan 8.230 nan 0.000 0.432 181 R N -1.135 119.431 120.500 0.111 0.000 2.103 181 R HA -0.196 4.144 4.340 -0.001 0.000 0.242 181 R C 2.316 178.714 176.300 0.163 0.000 1.142 181 R CA 1.462 57.640 56.100 0.130 0.000 0.960 181 R CB -0.502 29.882 30.300 0.139 0.000 0.858 181 R HN 0.320 nan 8.270 nan 0.000 0.439 182 L N 0.696 122.015 121.223 0.159 0.000 2.027 182 L HA -0.182 4.158 4.340 -0.001 0.000 0.206 182 L C 2.064 179.082 176.870 0.247 0.000 1.074 182 L CA 1.516 56.478 54.840 0.203 0.000 0.745 182 L CB -0.144 42.018 42.059 0.171 0.000 0.898 182 L HN 0.236 nan 8.230 nan 0.000 0.433 183 E N -1.010 119.297 120.200 0.179 0.000 2.110 183 E HA -0.206 4.144 4.350 -0.001 0.000 0.193 183 E C 1.922 178.604 176.600 0.137 0.000 0.988 183 E CA 1.799 58.291 56.400 0.153 0.000 0.804 183 E CB -0.043 29.722 29.700 0.108 0.000 0.745 183 E HN 0.491 nan 8.360 nan 0.000 0.458 184 T N 0.729 115.359 114.554 0.127 0.000 2.746 184 T HA -0.168 4.182 4.350 -0.001 0.000 0.267 184 T C 1.490 176.246 174.700 0.094 0.000 1.039 184 T CA 0.986 63.142 62.100 0.094 0.000 1.142 184 T CB -0.350 68.570 68.868 0.086 0.000 0.866 184 T HN 0.167 nan 8.240 nan 0.000 0.444 185 F N 2.015 121.976 119.950 0.018 0.000 2.146 185 F HA 0.047 4.573 4.527 -0.002 0.000 0.298 185 F C 2.479 178.225 175.800 -0.090 0.000 1.096 185 F CA 0.899 58.871 58.000 -0.047 0.000 1.275 185 F CB -0.461 38.536 39.000 -0.005 0.000 1.008 185 F HN 0.139 nan 8.300 nan 0.000 0.480 186 A N -0.126 122.843 122.820 0.249 0.000 2.024 186 A HA -0.261 4.058 4.320 -0.001 0.000 0.220 186 A C 2.075 179.729 177.584 0.117 0.000 1.164 186 A CA 1.887 54.099 52.037 0.291 0.000 0.643 186 A CB -0.775 18.426 19.000 0.334 0.000 0.806 186 A HN 0.618 nan 8.150 nan 0.000 0.451 187 Q N -0.578 119.231 119.800 0.015 0.000 2.020 187 Q HA -0.203 4.136 4.340 -0.001 0.000 0.202 187 Q C 0.889 176.849 176.000 -0.068 0.000 0.982 187 Q CA 1.714 57.509 55.803 -0.014 0.000 0.838 187 Q CB -0.163 28.560 28.738 -0.024 0.000 0.899 187 Q HN 1.004 nan 8.270 nan 0.000 0.423 188 N N -2.606 115.984 118.700 -0.183 0.000 2.167 188 N HA 0.141 4.881 4.740 -0.001 0.000 0.234 188 N C 0.884 176.151 175.510 -0.405 0.000 1.312 188 N CA 0.340 53.262 53.050 -0.213 0.000 0.861 188 N CB 0.367 38.759 38.487 -0.158 0.000 1.217 188 N HN 0.089 nan 8.380 nan 0.000 0.504 189 G N -0.134 108.226 108.800 -0.734 0.000 2.511 189 G HA2 0.033 3.992 3.960 -0.001 0.000 0.217 189 G HA3 0.033 3.992 3.960 -0.001 0.000 0.217 189 G C -0.306 173.999 174.900 -0.993 0.000 1.133 189 G CA 0.098 44.400 45.100 -1.330 0.000 0.792 189 G HN 0.204 nan 8.290 nan 0.000 0.539 190 F N 1.768 121.543 119.950 -0.292 0.000 2.368 190 F HA 0.662 5.189 4.527 -0.001 0.000 0.362 190 F C 0.610 176.359 175.800 -0.084 0.000 1.137 190 F CA -1.316 56.604 58.000 -0.135 0.000 1.161 190 F CB 0.908 39.873 39.000 -0.058 0.000 1.265 190 F HN 0.093 nan 8.300 nan 0.000 0.530 191 A N 3.358 126.212 122.820 0.057 0.000 2.340 191 A HA 0.700 5.019 4.320 -0.001 0.000 0.331 191 A C -0.831 176.982 177.584 0.381 0.000 1.140 191 A CA -0.866 51.244 52.037 0.122 0.000 0.801 191 A CB 1.001 19.958 19.000 -0.071 0.000 1.234 191 A HN 0.672 nan 8.150 nan 0.000 0.469 192 L N 0.717 122.141 121.223 0.334 0.000 2.490 192 L HA 0.290 4.629 4.340 -0.001 0.000 0.274 192 L C 0.268 177.437 176.870 0.498 0.000 1.201 192 L CA 0.705 55.761 54.840 0.360 0.000 0.869 192 L CB 0.400 42.597 42.059 0.230 0.000 1.123 192 L HN 0.740 nan 8.230 nan 0.000 0.484 193 Q N 4.441 124.438 119.800 0.328 0.000 2.368 193 Q HA 0.434 4.774 4.340 -0.001 0.000 0.256 193 Q C -1.778 174.347 176.000 0.208 0.000 0.980 193 Q CA 0.016 55.794 55.803 -0.042 0.000 0.887 193 Q CB 0.633 29.138 28.738 -0.388 0.000 1.221 193 Q HN 0.539 nan 8.270 nan 0.000 0.458 194 F N 3.568 123.480 119.950 -0.064 0.000 3.164 194 F HA 0.607 5.133 4.527 -0.001 0.000 0.375 194 F C 0.058 175.803 175.800 -0.091 0.000 1.257 194 F CA -0.509 57.506 58.000 0.025 0.000 1.171 194 F CB 1.224 40.267 39.000 0.073 0.000 1.588 194 F HN 0.578 nan 8.300 nan 0.000 0.604 195 G N 1.722 110.323 108.800 -0.332 0.000 2.599 195 G HA2 0.468 4.427 3.960 -0.001 0.000 0.196 195 G HA3 0.468 4.427 3.960 -0.001 0.000 0.196 195 G C 0.594 175.332 174.900 -0.271 0.000 1.148 195 G CA 0.401 45.256 45.100 -0.409 0.000 0.809 195 G HN 1.491 nan 8.290 nan 0.000 0.764 196 G N -0.398 108.299 108.800 -0.171 0.000 2.728 196 G HA2 0.265 4.224 3.960 -0.001 0.000 0.294 196 G HA3 0.265 4.224 3.960 -0.001 0.000 0.294 196 G C 1.163 176.022 174.900 -0.068 0.000 1.342 196 G CA 0.508 45.508 45.100 -0.168 0.000 0.866 196 G HN 1.298 nan 8.290 nan 0.000 0.534 197 A N -0.650 122.118 122.820 -0.087 0.000 1.881 197 A HA 0.197 4.517 4.320 -0.001 0.000 0.219 197 A C 2.577 180.123 177.584 -0.063 0.000 1.215 197 A CA 4.207 56.204 52.037 -0.066 0.000 0.648 197 A CB -0.762 18.210 19.000 -0.046 0.000 0.832 197 A HN 2.598 nan 8.150 nan 0.000 0.455 198 A N -2.992 119.802 122.820 -0.043 0.000 2.564 198 A HA 0.494 4.813 4.320 -0.001 0.000 0.279 198 A C 1.402 178.986 177.584 0.000 0.000 1.232 198 A CA 0.862 52.884 52.037 -0.025 0.000 0.950 198 A CB -0.495 18.486 19.000 -0.031 0.000 1.138 198 A HN 2.163 nan 8.150 nan 0.000 0.526 199 G N -0.604 108.206 108.800 0.017 0.000 2.141 199 G HA2 -0.240 3.719 3.960 -0.001 0.000 0.231 199 G HA3 -0.240 3.719 3.960 -0.001 0.000 0.231 199 G C 0.732 175.542 174.900 -0.149 0.000 0.984 199 G CA 1.119 46.182 45.100 -0.062 0.000 0.660 199 G HN 1.362 nan 8.290 nan 0.000 0.525 200 T N -1.767 112.709 114.554 -0.131 0.000 3.040 200 T HA 0.532 4.882 4.350 -0.001 0.000 0.266 200 T C 1.176 175.777 174.700 -0.164 0.000 1.005 200 T CA 0.496 62.518 62.100 -0.130 0.000 0.906 200 T CB 0.132 68.947 68.868 -0.089 0.000 1.082 200 T HN 1.200 nan 8.240 nan 0.000 0.531 201 L N 2.298 123.382 121.223 -0.231 0.000 3.677 201 L HA -0.195 4.144 4.340 -0.001 0.000 0.464 201 L C 1.937 178.682 176.870 -0.207 0.000 1.278 201 L CA 0.723 55.383 54.840 -0.300 0.000 0.806 201 L CB -1.111 40.729 42.059 -0.364 0.000 1.610 201 L HN 0.578 nan 8.230 nan 0.000 0.867 202 E N 0.148 120.251 120.200 -0.162 0.000 2.268 202 E HA -0.190 4.159 4.350 -0.001 0.000 0.195 202 E C 1.301 177.841 176.600 -0.099 0.000 0.995 202 E CA 1.073 57.409 56.400 -0.105 0.000 0.836 202 E CB 0.080 29.735 29.700 -0.075 0.000 0.763 202 E HN 0.540 nan 8.360 nan 0.000 0.491 203 K N 0.569 120.868 120.400 -0.168 0.000 2.366 203 K HA 0.116 4.436 4.320 -0.001 0.000 0.198 203 K C 2.083 178.606 176.600 -0.128 0.000 1.044 203 K CA 0.374 56.552 56.287 -0.182 0.000 0.973 203 K CB 0.129 32.346 32.500 -0.473 0.000 0.767 203 K HN 0.295 nan 8.250 nan 0.000 0.475 204 L N -0.467 120.677 121.223 -0.132 0.000 2.585 204 L HA 0.121 4.460 4.340 -0.001 0.000 0.226 204 L C 1.421 178.288 176.870 -0.005 0.000 1.113 204 L CA 0.195 55.007 54.840 -0.046 0.000 0.876 204 L CB -0.544 41.482 42.059 -0.055 0.000 1.072 204 L HN 0.204 nan 8.230 nan 0.000 0.468 205 G N 1.383 110.173 108.800 -0.016 0.000 2.660 205 G HA2 -0.394 3.565 3.960 -0.001 0.000 0.321 205 G HA3 -0.394 3.565 3.960 -0.001 0.000 0.321 205 G C 0.529 175.421 174.900 -0.014 0.000 1.246 205 G CA 0.710 45.805 45.100 -0.008 0.000 1.000 205 G HN 0.320 nan 8.290 nan 0.000 0.550 206 D N 1.286 121.684 120.400 -0.004 0.000 2.347 206 D HA 0.032 4.671 4.640 -0.001 0.000 0.213 206 D C 2.101 178.400 176.300 -0.002 0.000 0.985 206 D CA 0.713 54.710 54.000 -0.005 0.000 0.879 206 D CB -0.308 40.491 40.800 -0.002 0.000 0.919 206 D HN 0.545 nan 8.370 nan 0.000 0.526 207 N N 0.753 119.455 118.700 0.004 0.000 2.515 207 N HA 0.014 4.753 4.740 -0.001 0.000 0.185 207 N C 1.785 177.306 175.510 0.018 0.000 1.109 207 N CA 0.380 53.435 53.050 0.009 0.000 0.903 207 N CB 0.237 38.733 38.487 0.014 0.000 0.969 207 N HN 0.023 nan 8.380 nan 0.000 0.450 208 A N 1.216 124.039 122.820 0.005 0.000 1.881 208 A HA -0.224 4.095 4.320 -0.001 0.000 0.219 208 A C 2.400 180.014 177.584 0.050 0.000 1.215 208 A CA 2.206 54.246 52.037 0.005 0.000 0.648 208 A CB -1.552 17.416 19.000 -0.053 0.000 0.832 208 A HN 0.393 nan 8.150 nan 0.000 0.455 209 G N -1.220 107.594 108.800 0.024 0.000 2.418 209 G HA2 0.020 3.979 3.960 -0.001 0.000 0.217 209 G HA3 0.020 3.979 3.960 -0.001 0.000 0.217 209 G C 1.710 176.631 174.900 0.035 0.000 1.158 209 G CA 1.579 46.698 45.100 0.031 0.000 0.771 209 G HN 0.974 nan 8.290 nan 0.000 0.545 210 A N -0.202 122.631 122.820 0.021 0.000 1.968 210 A HA 0.244 4.563 4.320 -0.001 0.000 0.217 210 A C 2.544 180.128 177.584 0.000 0.000 1.169 210 A CA 1.457 53.498 52.037 0.005 0.000 0.638 210 A CB -0.314 18.682 19.000 -0.006 0.000 0.812 210 A HN 0.230 nan 8.150 nan 0.000 0.446 211 V N -0.166 119.764 119.914 0.026 0.000 2.323 211 V HA -0.195 3.925 4.120 -0.001 0.000 0.244 211 V C 2.609 178.693 176.094 -0.018 0.000 1.041 211 V CA 2.145 64.452 62.300 0.011 0.000 1.025 211 V CB -0.689 31.187 31.823 0.088 0.000 0.656 211 V HN 0.664 nan 8.190 nan 0.000 0.451 212 R N 0.211 120.785 120.500 0.123 0.000 2.081 212 R HA -0.161 4.178 4.340 -0.001 0.000 0.235 212 R C 2.266 178.577 176.300 0.018 0.000 1.131 212 R CA 1.680 57.858 56.100 0.131 0.000 0.960 212 R CB -0.454 30.026 30.300 0.300 0.000 0.856 212 R HN 0.489 nan 8.270 nan 0.000 0.436 213 A N 0.559 123.390 122.820 0.017 0.000 1.902 213 A HA -0.213 4.107 4.320 -0.001 0.000 0.217 213 A C 1.840 179.405 177.584 -0.033 0.000 1.181 213 A CA 1.954 53.989 52.037 -0.002 0.000 0.623 213 A CB -0.639 18.361 19.000 -0.001 0.000 0.818 213 A HN 0.478 nan 8.150 nan 0.000 0.443 214 D N -0.836 119.530 120.400 -0.056 0.000 2.149 214 D HA -0.094 4.545 4.640 -0.001 0.000 0.201 214 D C 1.778 178.010 176.300 -0.112 0.000 0.972 214 D CA 1.039 54.993 54.000 -0.077 0.000 0.835 214 D CB -0.173 40.576 40.800 -0.084 0.000 0.966 214 D HN 0.250 nan 8.370 nan 0.000 0.476 215 L N 0.404 121.524 121.223 -0.172 0.000 2.056 215 L HA 0.073 4.412 4.340 -0.001 0.000 0.207 215 L C 2.095 178.870 176.870 -0.158 0.000 1.078 215 L CA 2.040 56.728 54.840 -0.253 0.000 0.749 215 L CB -0.929 40.835 42.059 -0.492 0.000 0.901 215 L HN 0.030 nan 8.230 nan 0.000 0.433 216 A N -0.501 122.266 122.820 -0.089 0.000 1.933 216 A HA -0.248 4.071 4.320 -0.001 0.000 0.218 216 A C 2.430 180.005 177.584 -0.016 0.000 1.175 216 A CA 1.900 53.926 52.037 -0.018 0.000 0.628 216 A CB -0.581 18.433 19.000 0.022 0.000 0.814 216 A HN 0.514 nan 8.150 nan 0.000 0.444 217 K N -0.303 120.079 120.400 -0.030 0.000 2.026 217 K HA -0.128 4.192 4.320 -0.001 0.000 0.208 217 K C 2.237 178.820 176.600 -0.029 0.000 1.048 217 K CA 1.476 57.748 56.287 -0.024 0.000 0.929 217 K CB -0.179 32.304 32.500 -0.027 0.000 0.713 217 K HN 0.427 nan 8.250 nan 0.000 0.439 218 R N 0.226 120.697 120.500 -0.048 0.000 2.096 218 R HA -0.070 4.270 4.340 -0.001 0.000 0.235 218 R C 2.214 178.492 176.300 -0.037 0.000 1.127 218 R CA 1.305 57.376 56.100 -0.049 0.000 0.968 218 R CB -0.241 30.015 30.300 -0.073 0.000 0.861 218 R HN 0.242 nan 8.270 nan 0.000 0.440 219 L N -0.665 120.538 121.223 -0.035 0.000 2.418 219 L HA 0.126 4.465 4.340 -0.001 0.000 0.218 219 L C 1.097 177.971 176.870 0.006 0.000 1.125 219 L CA 0.542 55.377 54.840 -0.009 0.000 0.835 219 L CB 0.007 42.072 42.059 0.010 0.000 0.953 219 L HN 0.502 nan 8.230 nan 0.000 0.454 220 G N 0.629 109.432 108.800 0.005 0.000 2.149 220 G HA2 -0.249 3.711 3.960 -0.001 0.000 0.235 220 G HA3 -0.249 3.711 3.960 -0.001 0.000 0.235 220 G C -0.044 174.877 174.900 0.035 0.000 1.018 220 G CA 0.025 45.133 45.100 0.013 0.000 0.728 220 G HN 0.227 nan 8.290 nan 0.000 0.508 221 L N -0.528 120.724 121.223 0.049 0.000 2.286 221 L HA 0.869 5.208 4.340 -0.001 0.000 0.265 221 L C 0.961 177.867 176.870 0.061 0.000 1.012 221 L CA -0.944 53.945 54.840 0.081 0.000 0.818 221 L CB 1.694 43.827 42.059 0.123 0.000 1.337 221 L HN 0.254 nan 8.230 nan 0.000 0.438 222 A N 0.405 123.258 122.820 0.055 0.000 2.440 222 A HA 0.180 4.500 4.320 -0.001 0.000 0.251 222 A C -0.503 177.113 177.584 0.053 0.000 1.089 222 A CA -0.142 51.908 52.037 0.022 0.000 0.779 222 A CB 0.062 19.039 19.000 -0.037 0.000 1.022 222 A HN 0.683 nan 8.150 nan 0.000 0.492 223 D N 1.117 121.541 120.400 0.040 0.000 2.336 223 D HA 0.433 5.072 4.640 -0.001 0.000 0.249 223 D C 0.020 176.355 176.300 0.058 0.000 1.213 223 D CA 0.418 54.454 54.000 0.059 0.000 0.870 223 D CB 0.106 40.928 40.800 0.036 0.000 1.076 223 D HN 0.490 nan 8.370 nan 0.000 0.483 224 R N 3.140 123.703 120.500 0.106 0.000 2.668 224 R HA 0.471 4.811 4.340 -0.001 0.000 0.272 224 R C -2.592 173.795 176.300 0.146 0.000 1.019 224 R CA -1.766 54.394 56.100 0.100 0.000 0.894 224 R CB 1.582 31.930 30.300 0.079 0.000 1.228 224 R HN 0.254 nan 8.270 nan 0.000 0.460 225 P HA -0.050 nan 4.420 nan 0.000 0.267 225 P C -1.138 176.217 177.300 0.091 0.000 1.201 225 P CA -0.096 63.036 63.100 0.055 0.000 0.775 225 P CB 0.474 32.183 31.700 0.015 0.000 0.854 226 Q N 2.275 122.019 119.800 -0.095 0.000 2.326 226 Q HA -0.037 4.302 4.340 -0.001 0.000 0.314 226 Q C -0.437 175.451 176.000 -0.187 0.000 1.091 226 Q CA 0.675 56.271 55.803 -0.345 0.000 0.974 226 Q CB -0.099 28.168 28.738 -0.786 0.000 1.220 226 Q HN 0.582 nan 8.270 nan 0.000 0.398 227 W N 2.186 123.361 121.300 -0.208 0.000 1.433 227 W HA 0.326 4.986 4.660 -0.000 0.000 0.307 227 W C -0.648 175.835 176.519 -0.059 0.000 0.846 227 W CA -0.782 56.500 57.345 -0.106 0.000 2.535 227 W CB -1.233 28.200 29.460 -0.045 0.000 1.570 227 W HN 0.906 nan 8.180 nan 0.000 0.544 228 H N 2.164 121.078 119.070 -0.261 0.000 2.390 228 H HA -0.206 4.349 4.556 -0.001 0.000 0.298 228 H C 1.541 176.739 175.328 -0.216 0.000 1.106 228 H CA 2.310 58.146 56.048 -0.353 0.000 1.297 228 H CB 0.185 29.743 29.762 -0.340 0.000 1.375 228 H HN 0.196 nan 8.280 nan 0.000 0.509 229 N N -0.087 118.635 118.700 0.036 0.000 2.177 229 N HA -0.023 4.717 4.740 -0.001 0.000 0.218 229 N C -0.728 174.830 175.510 0.079 0.000 1.182 229 N CA -0.076 52.993 53.050 0.031 0.000 0.882 229 N CB 0.345 38.838 38.487 0.010 0.000 1.052 229 N HN 0.268 nan 8.380 nan 0.000 0.519 230 Q N 0.727 120.615 119.800 0.147 0.000 2.509 230 Q HA 0.387 4.726 4.340 -0.001 0.000 0.236 230 Q C -0.313 175.812 176.000 0.208 0.000 1.073 230 Q CA -0.547 55.348 55.803 0.154 0.000 0.867 230 Q CB 1.136 29.965 28.738 0.153 0.000 1.181 230 Q HN 0.101 nan 8.270 nan 0.000 0.526 231 R N 1.747 122.332 120.500 0.143 0.000 2.609 231 R HA 0.012 4.351 4.340 -0.001 0.000 0.326 231 R C 0.463 176.794 176.300 0.051 0.000 1.090 231 R CA 0.056 56.245 56.100 0.148 0.000 1.072 231 R CB 0.094 30.482 30.300 0.147 0.000 1.330 231 R HN 0.675 nan 8.270 nan 0.000 0.572 232 D N -0.098 120.313 120.400 0.019 0.000 2.178 232 D HA -0.100 4.539 4.640 -0.001 0.000 0.202 232 D C 1.580 177.876 176.300 -0.007 0.000 0.974 232 D CA 1.228 55.220 54.000 -0.012 0.000 0.841 232 D CB -0.362 40.436 40.800 -0.003 0.000 0.953 232 D HN 0.208 nan 8.370 nan 0.000 0.478 233 G N 1.243 110.017 108.800 -0.044 0.000 2.402 233 G HA2 -0.134 3.825 3.960 -0.001 0.000 0.216 233 G HA3 -0.134 3.825 3.960 -0.001 0.000 0.216 233 G C 1.886 176.855 174.900 0.115 0.000 1.162 233 G CA 0.535 45.625 45.100 -0.016 0.000 0.777 233 G HN 0.276 nan 8.290 nan 0.000 0.539 234 I N 1.300 121.909 120.570 0.064 0.000 2.252 234 I HA -0.154 4.016 4.170 -0.001 0.000 0.245 234 I C 3.268 179.449 176.117 0.107 0.000 1.102 234 I CA 1.126 62.510 61.300 0.141 0.000 1.385 234 I CB -0.431 37.680 38.000 0.184 0.000 1.064 234 I HN 0.265 nan 8.210 nan 0.000 0.414 235 A N 0.467 123.284 122.820 -0.005 0.000 1.930 235 A HA -0.241 4.078 4.320 -0.001 0.000 0.217 235 A C 2.309 179.862 177.584 -0.052 0.000 1.175 235 A CA 1.713 53.661 52.037 -0.147 0.000 0.627 235 A CB -0.582 18.138 19.000 -0.466 0.000 0.815 235 A HN 0.510 nan 8.150 nan 0.000 0.443 236 E N -1.193 119.019 120.200 0.019 0.000 2.051 236 E HA -0.223 4.126 4.350 -0.001 0.000 0.192 236 E C 1.774 178.334 176.600 -0.067 0.000 0.991 236 E CA 1.459 57.895 56.400 0.061 0.000 0.799 236 E CB -0.310 29.503 29.700 0.189 0.000 0.748 236 E HN 0.543 nan 8.360 nan 0.000 0.449 237 F N 1.187 120.929 119.950 -0.346 0.000 2.134 237 F HA -0.109 4.417 4.527 -0.001 0.000 0.299 237 F C 2.100 177.731 175.800 -0.282 0.000 1.097 237 F CA 1.636 59.252 58.000 -0.640 0.000 1.264 237 F CB -0.607 38.039 39.000 -0.590 0.000 1.001 237 F HN 0.114 nan 8.300 nan 0.000 0.479 238 A N -0.106 122.635 122.820 -0.132 0.000 1.972 238 A HA -0.235 4.084 4.320 -0.001 0.000 0.219 238 A C 1.998 179.487 177.584 -0.160 0.000 1.169 238 A CA 1.800 53.746 52.037 -0.152 0.000 0.635 238 A CB -1.198 17.798 19.000 -0.006 0.000 0.810 238 A HN 0.559 nan 8.150 nan 0.000 0.446 239 N N 0.018 118.660 118.700 -0.098 0.000 2.104 239 N HA -0.118 4.621 4.740 -0.001 0.000 0.190 239 N C 1.571 176.983 175.510 -0.163 0.000 1.024 239 N CA 1.670 54.681 53.050 -0.066 0.000 0.853 239 N CB -0.318 38.175 38.487 0.008 0.000 1.008 239 N HN 0.478 nan 8.380 nan 0.000 0.424 240 L N -0.418 120.650 121.223 -0.258 0.000 2.046 240 L HA -0.139 4.200 4.340 -0.001 0.000 0.208 240 L C 1.925 178.577 176.870 -0.364 0.000 1.077 240 L CA 0.556 55.210 54.840 -0.310 0.000 0.747 240 L CB -0.488 41.343 42.059 -0.381 0.000 0.896 240 L HN 0.270 nan 8.230 nan 0.000 0.432 241 L N -0.461 120.489 121.223 -0.454 0.000 2.081 241 L HA -0.256 4.083 4.340 -0.001 0.000 0.212 241 L C 2.787 179.529 176.870 -0.214 0.000 1.080 241 L CA 1.858 56.483 54.840 -0.358 0.000 0.754 241 L CB -1.167 40.667 42.059 -0.374 0.000 0.893 241 L HN 0.201 nan 8.230 nan 0.000 0.433 242 S N -1.678 113.911 115.700 -0.185 0.000 2.425 242 S HA -0.029 4.440 4.470 -0.001 0.000 0.225 242 S C 1.943 176.458 174.600 -0.141 0.000 1.024 242 S CA 0.078 58.208 58.200 -0.117 0.000 0.951 242 S CB -0.036 63.114 63.200 -0.082 0.000 0.796 242 S HN 0.184 nan 8.310 nan 0.000 0.498 243 L N 1.916 123.002 121.223 -0.228 0.000 2.013 243 L HA -0.071 4.268 4.340 -0.001 0.000 0.212 243 L C 2.516 179.079 176.870 -0.512 0.000 1.073 243 L CA 1.567 56.187 54.840 -0.368 0.000 0.753 243 L CB -1.377 40.361 42.059 -0.535 0.000 0.890 243 L HN 0.201 nan 8.230 nan 0.000 0.432 244 V N -0.546 119.074 119.914 -0.490 0.000 2.237 244 V HA -0.320 3.800 4.120 -0.001 0.000 0.245 244 V C 2.613 178.675 176.094 -0.053 0.000 1.046 244 V CA 2.245 64.405 62.300 -0.234 0.000 1.007 244 V CB -1.407 30.336 31.823 -0.134 0.000 0.638 244 V HN 0.685 nan 8.190 nan 0.000 0.445 245 T N -1.067 113.462 114.554 -0.042 0.000 2.759 245 T HA -0.124 4.226 4.350 -0.001 0.000 0.269 245 T C 1.954 176.682 174.700 0.046 0.000 1.042 245 T CA 1.604 63.720 62.100 0.028 0.000 1.140 245 T CB -0.957 67.945 68.868 0.056 0.000 0.864 245 T HN 0.504 nan 8.240 nan 0.000 0.455 246 G N 1.510 110.322 108.800 0.020 0.000 2.433 246 G HA2 -0.194 3.765 3.960 -0.001 0.000 0.216 246 G HA3 -0.194 3.765 3.960 -0.001 0.000 0.216 246 G C 1.746 176.703 174.900 0.094 0.000 1.186 246 G CA 1.435 46.563 45.100 0.047 0.000 0.779 246 G HN 0.523 nan 8.290 nan 0.000 0.543 247 T N 1.535 116.168 114.554 0.131 0.000 2.684 247 T HA -0.074 4.276 4.350 -0.001 0.000 0.267 247 T C 2.414 177.226 174.700 0.185 0.000 1.036 247 T CA 1.068 63.288 62.100 0.200 0.000 1.148 247 T CB -0.264 68.785 68.868 0.301 0.000 0.863 247 T HN 0.136 nan 8.240 nan 0.000 0.436 248 L N 0.634 121.950 121.223 0.155 0.000 2.131 248 L HA -0.016 4.323 4.340 -0.001 0.000 0.210 248 L C 2.955 179.907 176.870 0.136 0.000 1.092 248 L CA 1.146 56.092 54.840 0.176 0.000 0.759 248 L CB -0.909 41.235 42.059 0.141 0.000 0.903 248 L HN 0.370 nan 8.230 nan 0.000 0.435 249 G N -0.260 108.597 108.800 0.096 0.000 2.402 249 G HA2 -0.253 3.707 3.960 -0.001 0.000 0.216 249 G HA3 -0.253 3.707 3.960 -0.001 0.000 0.216 249 G C 1.701 176.637 174.900 0.059 0.000 1.162 249 G CA 0.357 45.492 45.100 0.058 0.000 0.777 249 G HN 0.144 nan 8.290 nan 0.000 0.539 250 K N 0.317 120.784 120.400 0.113 0.000 2.020 250 K HA -0.159 4.161 4.320 -0.001 0.000 0.212 250 K C 2.168 178.864 176.600 0.160 0.000 1.050 250 K CA 1.458 57.839 56.287 0.156 0.000 0.929 250 K CB -0.576 32.054 32.500 0.217 0.000 0.714 250 K HN 0.364 nan 8.250 nan 0.000 0.443 251 F N 0.823 120.717 119.950 -0.094 0.000 2.043 251 F HA -0.250 4.277 4.527 -0.000 0.000 0.297 251 F C 2.106 177.673 175.800 -0.389 0.000 1.121 251 F CA 2.019 59.708 58.000 -0.517 0.000 1.199 251 F CB -0.694 37.963 39.000 -0.571 0.000 0.968 251 F HN 0.182 nan 8.300 nan 0.000 0.478 252 G N -0.593 107.927 108.800 -0.468 0.000 2.469 252 G HA2 -0.373 3.586 3.960 -0.001 0.000 0.219 252 G HA3 -0.373 3.586 3.960 -0.001 0.000 0.219 252 G C 1.342 176.074 174.900 -0.279 0.000 1.150 252 G CA 1.018 45.837 45.100 -0.469 0.000 0.763 252 G HN 0.411 nan 8.290 nan 0.000 0.561 253 Q N 0.685 120.405 119.800 -0.133 0.000 2.084 253 Q HA -0.068 4.272 4.340 -0.001 0.000 0.202 253 Q C 2.122 178.093 176.000 -0.048 0.000 0.978 253 Q CA 1.762 57.526 55.803 -0.066 0.000 0.844 253 Q CB -0.472 28.263 28.738 -0.005 0.000 0.898 253 Q HN 0.404 nan 8.270 nan 0.000 0.426 254 D N -0.402 120.000 120.400 0.005 0.000 2.092 254 D HA -0.146 4.493 4.640 -0.001 0.000 0.193 254 D C 1.739 178.049 176.300 0.017 0.000 0.994 254 D CA 1.034 55.101 54.000 0.112 0.000 0.828 254 D CB -0.172 40.880 40.800 0.420 0.000 0.963 254 D HN 0.254 nan 8.370 nan 0.000 0.450 255 I N 1.026 121.495 120.570 -0.168 0.000 2.286 255 I HA -0.190 3.979 4.170 -0.001 0.000 0.248 255 I C 2.354 178.381 176.117 -0.151 0.000 1.115 255 I CA 0.700 61.871 61.300 -0.215 0.000 1.392 255 I CB -1.183 36.512 38.000 -0.508 0.000 1.065 255 I HN -0.105 nan 8.210 nan 0.000 0.418 256 A N 0.847 123.574 122.820 -0.156 0.000 1.898 256 A HA -0.119 4.201 4.320 -0.001 0.000 0.216 256 A C 2.391 179.925 177.584 -0.084 0.000 1.181 256 A CA 1.061 53.029 52.037 -0.115 0.000 0.620 256 A CB -0.714 18.220 19.000 -0.110 0.000 0.819 256 A HN 0.368 nan 8.150 nan 0.000 0.442 257 L N -1.122 120.055 121.223 -0.077 0.000 2.056 257 L HA -0.194 4.145 4.340 -0.001 0.000 0.207 257 L C 2.843 179.657 176.870 -0.093 0.000 1.078 257 L CA 1.497 56.281 54.840 -0.093 0.000 0.749 257 L CB -0.476 41.519 42.059 -0.107 0.000 0.901 257 L HN 0.398 nan 8.230 nan 0.000 0.433 258 M N -0.731 118.841 119.600 -0.047 0.000 2.117 258 M HA -0.208 4.271 4.480 -0.001 0.000 0.262 258 M C 2.519 178.808 176.300 -0.019 0.000 1.065 258 M CA 1.879 57.173 55.300 -0.010 0.000 1.114 258 M CB -0.544 32.089 32.600 0.055 0.000 1.361 258 M HN 0.333 nan 8.290 nan 0.000 0.408 259 A N 0.239 123.037 122.820 -0.037 0.000 1.877 259 A HA -0.239 4.080 4.320 -0.001 0.000 0.216 259 A C 1.954 179.515 177.584 -0.037 0.000 1.186 259 A CA 2.107 54.121 52.037 -0.038 0.000 0.620 259 A CB -0.879 18.088 19.000 -0.055 0.000 0.822 259 A HN 0.564 nan 8.150 nan 0.000 0.443 260 E N -0.067 120.104 120.200 -0.049 0.000 2.049 260 E HA -0.222 4.127 4.350 -0.001 0.000 0.198 260 E C 1.832 178.407 176.600 -0.041 0.000 1.007 260 E CA 1.885 58.257 56.400 -0.047 0.000 0.809 260 E CB -0.312 29.353 29.700 -0.058 0.000 0.749 260 E HN 0.656 nan 8.360 nan 0.000 0.450 261 I N -0.586 119.953 120.570 -0.051 0.000 2.202 261 I HA -0.087 4.082 4.170 -0.001 0.000 0.242 261 I C 1.995 178.109 176.117 -0.003 0.000 1.091 261 I CA 1.074 62.355 61.300 -0.032 0.000 1.368 261 I CB -0.334 37.636 38.000 -0.050 0.000 1.058 261 I HN 0.544 nan 8.210 nan 0.000 0.410 262 G N 0.466 109.265 108.800 -0.001 0.000 2.176 262 G HA2 -0.303 3.657 3.960 -0.001 0.000 0.253 262 G HA3 -0.303 3.657 3.960 -0.001 0.000 0.253 262 G C 1.056 175.967 174.900 0.019 0.000 0.979 262 G CA 0.697 45.801 45.100 0.006 0.000 0.641 262 G HN 0.469 nan 8.290 nan 0.000 0.530 263 S N -0.825 114.895 115.700 0.032 0.000 2.470 263 S HA 0.266 4.735 4.470 -0.001 0.000 0.222 263 S C 1.063 175.687 174.600 0.039 0.000 1.024 263 S CA 1.016 59.238 58.200 0.036 0.000 0.931 263 S CB 0.238 63.465 63.200 0.045 0.000 0.791 263 S HN 0.492 nan 8.310 nan 0.000 0.513 264 E N 0.448 120.678 120.200 0.050 0.000 2.995 264 E HA 0.524 4.873 4.350 -0.001 0.000 0.203 264 E C -0.886 175.750 176.600 0.060 0.000 0.980 264 E CA -0.105 56.328 56.400 0.054 0.000 1.172 264 E CB 0.898 30.640 29.700 0.071 0.000 1.088 264 E HN 0.470 nan 8.360 nan 0.000 0.463 265 I N 0.349 120.948 120.570 0.048 0.000 2.827 265 I HA 0.377 4.546 4.170 -0.001 0.000 0.298 265 I C -1.582 174.554 176.117 0.032 0.000 1.235 265 I CA -0.890 60.440 61.300 0.050 0.000 1.021 265 I CB 1.596 39.627 38.000 0.053 0.000 1.259 265 I HN -0.133 nan 8.210 nan 0.000 0.427 266 R N 7.465 127.985 120.500 0.032 0.000 2.409 266 R HA 0.604 4.943 4.340 -0.001 0.000 0.313 266 R C -1.631 174.680 176.300 0.018 0.000 0.953 266 R CA -0.696 55.418 56.100 0.022 0.000 0.849 266 R CB 1.831 32.146 30.300 0.024 0.000 1.171 266 R HN 0.558 nan 8.270 nan 0.000 0.458 267 L N 1.595 122.821 121.223 0.006 0.000 2.346 267 L HA 0.402 4.741 4.340 -0.001 0.000 0.276 267 L C 0.978 177.846 176.870 -0.004 0.000 1.006 267 L CA -0.096 54.742 54.840 -0.003 0.000 0.817 267 L CB 2.088 44.135 42.059 -0.020 0.000 1.272 267 L HN 0.782 nan 8.230 nan 0.000 0.421 268 S N 0.903 116.602 115.700 -0.003 0.000 4.207 268 S HA 0.709 5.179 4.470 -0.001 0.000 0.177 268 S C 0.247 174.842 174.600 -0.008 0.000 0.981 268 S CA 0.252 58.449 58.200 -0.004 0.000 1.097 268 S CB 1.241 64.442 63.200 0.002 0.000 1.525 268 S HN 0.847 nan 8.310 nan 0.000 0.686 269 G N -0.425 108.373 108.800 -0.002 0.000 2.146 269 G HA2 0.570 4.529 3.960 -0.001 0.000 0.261 269 G HA3 0.570 4.529 3.960 -0.001 0.000 0.261 269 G C -0.029 174.872 174.900 0.002 0.000 1.745 269 G CA 0.135 45.233 45.100 -0.004 0.000 0.905 269 G HN 1.920 nan 8.290 nan 0.000 0.746 282 P HA 0.324 nan 4.420 nan 0.000 0.231 282 P C 0.919 178.159 177.300 -0.100 0.000 1.811 282 P CA 0.014 63.062 63.100 -0.087 0.000 1.051 282 P CB 0.717 32.360 31.700 -0.095 0.000 1.951 283 V N 1.630 121.487 119.914 -0.095 0.000 2.407 283 V HA -0.169 3.950 4.120 -0.001 0.000 0.245 283 V C 2.143 178.158 176.094 -0.132 0.000 1.041 283 V CA 1.460 63.700 62.300 -0.100 0.000 1.040 283 V CB -0.647 31.121 31.823 -0.091 0.000 0.671 283 V HN 0.331 nan 8.190 nan 0.000 0.455 284 N N 0.785 119.401 118.700 -0.140 0.000 2.166 284 N HA -0.116 4.624 4.740 -0.001 0.000 0.186 284 N C 1.874 177.277 175.510 -0.177 0.000 1.019 284 N CA 1.595 54.550 53.050 -0.159 0.000 0.856 284 N CB -0.420 37.986 38.487 -0.135 0.000 0.993 284 N HN 0.486 nan 8.380 nan 0.000 0.426 285 A N 1.504 124.204 122.820 -0.200 0.000 1.877 285 A HA -0.144 4.176 4.320 -0.001 0.000 0.216 285 A C 2.104 179.585 177.584 -0.172 0.000 1.186 285 A CA 1.354 53.242 52.037 -0.249 0.000 0.620 285 A CB -0.497 18.345 19.000 -0.263 0.000 0.822 285 A HN 0.325 nan 8.150 nan 0.000 0.443 286 E N -0.743 119.382 120.200 -0.126 0.000 2.077 286 E HA -0.135 4.214 4.350 -0.001 0.000 0.193 286 E C 2.073 178.640 176.600 -0.056 0.000 0.989 286 E CA 1.580 57.933 56.400 -0.078 0.000 0.800 286 E CB -0.400 29.263 29.700 -0.062 0.000 0.746 286 E HN 0.609 nan 8.360 nan 0.000 0.452 287 T N 1.896 116.397 114.554 -0.088 0.000 2.720 287 T HA -0.157 4.193 4.350 -0.001 0.000 0.268 287 T C 1.962 176.648 174.700 -0.023 0.000 1.037 287 T CA 0.878 62.926 62.100 -0.087 0.000 1.144 287 T CB -0.209 68.505 68.868 -0.257 0.000 0.864 287 T HN 0.104 nan 8.240 nan 0.000 0.444 288 L N 0.747 121.937 121.223 -0.054 0.000 2.083 288 L HA -0.070 4.269 4.340 -0.001 0.000 0.209 288 L C 2.768 179.649 176.870 0.018 0.000 1.083 288 L CA 1.007 55.837 54.840 -0.017 0.000 0.752 288 L CB -0.673 41.346 42.059 -0.067 0.000 0.899 288 L HN 0.209 nan 8.230 nan 0.000 0.433 289 V N -1.196 118.716 119.914 -0.003 0.000 2.453 289 V HA -0.223 3.897 4.120 -0.001 0.000 0.247 289 V C 2.362 178.492 176.094 0.060 0.000 1.048 289 V CA 2.354 64.668 62.300 0.023 0.000 1.049 289 V CB -0.143 31.681 31.823 0.002 0.000 0.672 289 V HN 0.447 nan 8.190 nan 0.000 0.457 290 T N 1.607 116.202 114.554 0.068 0.000 2.624 290 T HA -0.196 4.153 4.350 -0.001 0.000 0.268 290 T C 1.823 176.623 174.700 0.167 0.000 1.041 290 T CA 2.271 64.436 62.100 0.110 0.000 1.159 290 T CB -0.435 68.513 68.868 0.132 0.000 0.863 290 T HN 0.352 nan 8.240 nan 0.000 0.434 291 L N 0.903 122.232 121.223 0.178 0.000 2.093 291 L HA 0.109 4.449 4.340 -0.001 0.000 0.208 291 L C 2.784 179.792 176.870 0.231 0.000 1.085 291 L CA 1.386 56.370 54.840 0.240 0.000 0.755 291 L CB -1.645 40.540 42.059 0.211 0.000 0.904 291 L HN 0.257 nan 8.230 nan 0.000 0.435 292 A N -0.382 122.526 122.820 0.147 0.000 1.865 292 A HA -0.212 4.108 4.320 -0.001 0.000 0.217 292 A C 2.406 180.055 177.584 0.107 0.000 1.191 292 A CA 1.479 53.581 52.037 0.108 0.000 0.623 292 A CB -0.409 18.637 19.000 0.077 0.000 0.826 292 A HN 0.360 nan 8.150 nan 0.000 0.444 293 R N -2.030 118.539 120.500 0.115 0.000 2.148 293 R HA -0.068 4.272 4.340 -0.001 0.000 0.227 293 R C 1.963 178.339 176.300 0.126 0.000 1.103 293 R CA 1.241 57.399 56.100 0.096 0.000 0.983 293 R CB -0.557 29.792 30.300 0.082 0.000 0.874 293 R HN 0.606 nan 8.270 nan 0.000 0.451 294 F N 2.353 122.326 119.950 0.040 0.000 2.075 294 F HA -0.160 4.366 4.527 -0.001 0.000 0.297 294 F C 1.733 177.559 175.800 0.043 0.000 1.113 294 F CA 1.630 59.657 58.000 0.045 0.000 1.218 294 F CB -0.416 38.633 39.000 0.082 0.000 0.984 294 F HN -0.035 nan 8.300 nan 0.000 0.472 295 N N -0.317 118.423 118.700 0.067 0.000 2.309 295 N HA -0.089 4.650 4.740 -0.001 0.000 0.182 295 N C 1.779 177.234 175.510 -0.092 0.000 1.018 295 N CA 0.581 53.590 53.050 -0.067 0.000 0.876 295 N CB -0.204 38.304 38.487 0.036 0.000 0.972 295 N HN 0.371 nan 8.380 nan 0.000 0.434 296 A N 0.373 123.167 122.820 -0.045 0.000 2.066 296 A HA -0.007 4.312 4.320 -0.001 0.000 0.218 296 A C 2.232 179.776 177.584 -0.066 0.000 1.157 296 A CA 0.718 52.730 52.037 -0.042 0.000 0.670 296 A CB -0.157 18.837 19.000 -0.009 0.000 0.804 296 A HN 0.066 nan 8.150 nan 0.000 0.453 297 V N -0.126 119.725 119.914 -0.105 0.000 2.346 297 V HA -0.168 3.952 4.120 -0.001 0.000 0.244 297 V C 2.534 178.531 176.094 -0.162 0.000 1.037 297 V CA 1.711 63.936 62.300 -0.125 0.000 1.029 297 V CB -0.592 31.147 31.823 -0.140 0.000 0.663 297 V HN 0.528 nan 8.190 nan 0.000 0.454 298 Q N -0.558 119.080 119.800 -0.270 0.000 2.224 298 Q HA -0.094 4.246 4.340 -0.001 0.000 0.203 298 Q C 2.139 178.078 176.000 -0.102 0.000 0.970 298 Q CA 1.107 56.766 55.803 -0.241 0.000 0.865 298 Q CB -0.614 27.897 28.738 -0.378 0.000 0.922 298 Q HN 0.580 nan 8.270 nan 0.000 0.445 299 I N 0.962 121.492 120.570 -0.067 0.000 2.335 299 I HA -0.247 3.922 4.170 -0.001 0.000 0.251 299 I C 2.293 178.464 176.117 0.090 0.000 1.129 299 I CA 1.223 62.538 61.300 0.026 0.000 1.402 299 I CB -0.573 37.436 38.000 0.014 0.000 1.069 299 I HN 0.062 nan 8.210 nan 0.000 0.424 300 S N 0.199 115.910 115.700 0.018 0.000 2.370 300 S HA -0.216 4.253 4.470 -0.001 0.000 0.226 300 S C 2.295 176.929 174.600 0.057 0.000 1.033 300 S CA 1.507 59.725 58.200 0.030 0.000 1.011 300 S CB -0.606 62.586 63.200 -0.013 0.000 0.852 300 S HN 0.650 nan 8.310 nan 0.000 0.457 301 A N 0.815 123.648 122.820 0.021 0.000 1.933 301 A HA 0.046 4.365 4.320 -0.001 0.000 0.218 301 A C 2.150 179.761 177.584 0.046 0.000 1.175 301 A CA 1.426 53.477 52.037 0.023 0.000 0.628 301 A CB -0.682 18.317 19.000 -0.002 0.000 0.814 301 A HN 0.562 nan 8.150 nan 0.000 0.444 302 L N -1.507 119.749 121.223 0.054 0.000 2.156 302 L HA -0.116 4.224 4.340 -0.001 0.000 0.208 302 L C 2.547 179.396 176.870 -0.034 0.000 1.095 302 L CA 1.026 55.883 54.840 0.029 0.000 0.770 302 L CB -0.499 41.575 42.059 0.025 0.000 0.914 302 L HN 0.458 nan 8.230 nan 0.000 0.439 303 H N -0.469 118.615 119.070 0.024 0.000 2.363 303 H HA -0.079 4.476 4.556 -0.001 0.000 0.301 303 H C 2.150 177.492 175.328 0.023 0.000 1.074 303 H CA 1.082 57.144 56.048 0.023 0.000 1.354 303 H CB 0.219 29.987 29.762 0.010 0.000 1.397 303 H HN 0.351 nan 8.280 nan 0.000 0.516 304 Q N 0.459 120.329 119.800 0.116 0.000 2.181 304 Q HA -0.074 4.265 4.340 -0.001 0.000 0.205 304 Q C 2.084 178.113 176.000 0.048 0.000 0.980 304 Q CA 0.752 56.594 55.803 0.066 0.000 0.862 304 Q CB -0.307 28.456 28.738 0.042 0.000 0.905 304 Q HN 0.207 nan 8.270 nan 0.000 0.429 305 S N 0.620 116.346 115.700 0.044 0.000 2.607 305 S HA 0.101 4.570 4.470 -0.001 0.000 0.224 305 S C 1.745 176.372 174.600 0.046 0.000 0.969 305 S CA -0.018 58.209 58.200 0.046 0.000 0.927 305 S CB -0.023 63.214 63.200 0.061 0.000 0.772 305 S HN 0.274 nan 8.310 nan 0.000 0.533 306 L N 0.670 121.911 121.223 0.031 0.000 2.217 306 L HA 0.059 4.398 4.340 -0.001 0.000 0.211 306 L C 0.433 177.326 176.870 0.038 0.000 1.107 306 L CA 0.524 55.380 54.840 0.027 0.000 0.783 306 L CB -0.165 41.903 42.059 0.016 0.000 0.919 306 L HN 0.104 nan 8.230 nan 0.000 0.442 307 V N 1.607 121.544 119.914 0.037 0.000 2.287 307 V HA 0.061 4.181 4.120 -0.001 0.000 0.246 307 V C -0.018 176.093 176.094 0.029 0.000 1.165 307 V CA 0.165 62.483 62.300 0.031 0.000 1.088 307 V CB -0.231 31.609 31.823 0.028 0.000 1.242 307 V HN 0.288 nan 8.190 nan 0.000 0.497 308 Q N 3.932 123.750 119.800 0.029 0.000 2.339 308 Q HA 0.323 4.662 4.340 -0.001 0.000 0.268 308 Q C -0.055 175.952 176.000 0.012 0.000 1.027 308 Q CA -0.520 55.298 55.803 0.024 0.000 0.759 308 Q CB 2.333 31.090 28.738 0.031 0.000 1.244 308 Q HN 0.798 nan 8.270 nan 0.000 0.464 309 E N 3.773 123.977 120.200 0.007 0.000 2.343 309 E HA 0.143 4.493 4.350 -0.001 0.000 0.269 309 E C -0.241 176.356 176.600 -0.005 0.000 1.047 309 E CA -0.011 56.391 56.400 0.003 0.000 0.874 309 E CB 1.208 30.910 29.700 0.003 0.000 1.033 309 E HN 0.642 nan 8.360 nan 0.000 0.409 310 Q N 0.615 120.412 119.800 -0.005 0.000 1.362 310 Q HA -0.292 4.047 4.340 -0.001 0.000 0.377 310 Q C 0.665 176.655 176.000 -0.016 0.000 0.972 310 Q CA 1.889 57.686 55.803 -0.010 0.000 0.658 310 Q CB -1.047 27.685 28.738 -0.010 0.000 4.537 310 Q HN 0.689 nan 8.270 nan 0.000 0.581 311 E N 0.342 120.529 120.200 -0.022 0.000 2.299 311 E HA 0.191 4.541 4.350 -0.001 0.000 0.193 311 E C -0.005 176.561 176.600 -0.056 0.000 0.998 311 E CA 0.756 57.142 56.400 -0.024 0.000 0.851 311 E CB 0.341 30.029 29.700 -0.021 0.000 0.795 311 E HN 0.250 nan 8.360 nan 0.000 0.492 312 R N -0.584 119.870 120.500 -0.076 0.000 2.522 312 R HA 0.311 4.650 4.340 -0.001 0.000 0.273 312 R C -1.586 174.678 176.300 -0.060 0.000 1.133 312 R CA -0.178 55.842 56.100 -0.133 0.000 0.969 312 R CB 1.503 31.681 30.300 -0.204 0.000 1.235 312 R HN -0.031 nan 8.270 nan 0.000 0.433 313 S N 2.258 117.933 115.700 -0.041 0.000 2.594 313 S HA 0.330 4.799 4.470 -0.001 0.000 0.322 313 S C 0.918 175.577 174.600 0.098 0.000 1.085 313 S CA -0.069 58.143 58.200 0.020 0.000 1.116 313 S CB 1.262 64.473 63.200 0.019 0.000 0.979 313 S HN 0.802 nan 8.310 nan 0.000 0.465 314 G N 3.657 112.517 108.800 0.099 0.000 2.408 314 G HA2 -0.045 3.915 3.960 -0.001 0.000 0.217 314 G HA3 -0.045 3.915 3.960 -0.001 0.000 0.217 314 G C 1.515 176.382 174.900 -0.054 0.000 1.150 314 G CA 0.795 45.944 45.100 0.082 0.000 0.776 314 G HN 0.891 nan 8.290 nan 0.000 0.542 315 A N 0.938 123.737 122.820 -0.035 0.000 1.877 315 A HA 0.155 4.474 4.320 -0.001 0.000 0.216 315 A C 2.702 180.254 177.584 -0.053 0.000 1.186 315 A CA 2.151 54.152 52.037 -0.060 0.000 0.620 315 A CB -1.088 17.893 19.000 -0.032 0.000 0.822 315 A HN 0.495 nan 8.150 nan 0.000 0.443 316 G N -1.909 106.892 108.800 0.000 0.000 2.402 316 G HA2 -0.241 3.719 3.960 -0.001 0.000 0.216 316 G HA3 -0.241 3.719 3.960 -0.001 0.000 0.216 316 G C 1.383 176.315 174.900 0.054 0.000 1.162 316 G CA 1.043 46.159 45.100 0.026 0.000 0.777 316 G HN 0.632 nan 8.290 nan 0.000 0.539 317 W N 1.270 122.464 121.300 -0.177 0.000 2.363 317 W HA 0.079 4.738 4.660 -0.001 0.000 0.296 317 W C 2.406 178.590 176.519 -0.558 0.000 1.212 317 W CA 1.055 58.260 57.345 -0.233 0.000 1.260 317 W CB -0.251 29.083 29.460 -0.210 0.000 1.131 317 W HN 0.170 nan 8.180 nan 0.000 0.530 318 M N -0.201 118.940 119.600 -0.765 0.000 2.562 318 M HA -0.094 4.385 4.480 -0.001 0.000 0.257 318 M C 2.085 178.101 176.300 -0.473 0.000 1.099 318 M CA 0.695 55.252 55.300 -1.239 0.000 1.099 318 M CB -0.406 31.579 32.600 -1.025 0.000 1.427 318 M HN -0.003 nan 8.290 nan 0.000 0.489 319 L N 0.457 121.543 121.223 -0.229 0.000 2.156 319 L HA -0.180 4.159 4.340 -0.001 0.000 0.208 319 L C 1.948 178.825 176.870 0.012 0.000 1.095 319 L CA 1.523 56.321 54.840 -0.071 0.000 0.770 319 L CB -0.147 41.893 42.059 -0.032 0.000 0.914 319 L HN 0.352 nan 8.230 nan 0.000 0.439 320 E N -0.650 119.581 120.200 0.052 0.000 2.085 320 E HA -0.265 4.084 4.350 -0.001 0.000 0.194 320 E C 1.911 178.681 176.600 0.285 0.000 0.994 320 E CA 1.589 58.103 56.400 0.190 0.000 0.801 320 E CB -0.211 29.675 29.700 0.310 0.000 0.743 320 E HN 0.518 nan 8.360 nan 0.000 0.453 321 W N 0.518 121.807 121.300 -0.019 0.000 2.338 321 W HA -0.139 4.521 4.660 -0.001 0.000 0.304 321 W C 1.969 178.464 176.519 -0.040 0.000 1.212 321 W CA 0.431 57.744 57.345 -0.053 0.000 1.264 321 W CB -1.011 28.363 29.460 -0.144 0.000 1.142 321 W HN 0.133 nan 8.180 nan 0.000 0.512 322 L N -0.073 121.262 121.223 0.186 0.000 2.217 322 L HA -0.077 4.262 4.340 -0.001 0.000 0.211 322 L C 2.376 179.289 176.870 0.072 0.000 1.107 322 L CA 2.362 57.262 54.840 0.101 0.000 0.783 322 L CB -1.472 40.620 42.059 0.055 0.000 0.919 322 L HN 0.129 nan 8.230 nan 0.000 0.442 323 T N -5.716 108.880 114.554 0.069 0.000 3.058 323 T HA 0.045 4.394 4.350 -0.001 0.000 0.247 323 T C 1.743 176.462 174.700 0.031 0.000 0.987 323 T CA 0.074 62.196 62.100 0.037 0.000 1.062 323 T CB -0.522 68.350 68.868 0.008 0.000 1.048 323 T HN -0.003 nan 8.240 nan 0.000 0.468 324 L N 2.822 124.081 121.223 0.061 0.000 2.012 324 L HA 0.152 4.491 4.340 -0.001 0.000 0.210 324 L C -0.934 175.903 176.870 -0.056 0.000 1.073 324 L CA 1.956 56.838 54.840 0.069 0.000 0.748 324 L CB -1.112 41.054 42.059 0.178 0.000 0.891 324 L HN 0.138 nan 8.230 nan 0.000 0.431 325 P HA -0.186 nan 4.420 nan 0.000 0.216 325 P C 1.394 178.366 177.300 -0.546 0.000 1.150 325 P CA 1.457 64.033 63.100 -0.873 0.000 0.837 325 P CB -0.062 31.047 31.700 -0.985 0.000 0.786 326 Q N -1.661 118.020 119.800 -0.197 0.000 2.230 326 Q HA -0.009 4.330 4.340 -0.001 0.000 0.202 326 Q C 2.162 178.224 176.000 0.104 0.000 0.963 326 Q CA 0.997 56.805 55.803 0.009 0.000 0.866 326 Q CB -0.396 28.528 28.738 0.310 0.000 0.931 326 Q HN 0.308 nan 8.270 nan 0.000 0.452 327 M N -0.025 119.613 119.600 0.063 0.000 2.132 327 M HA -0.139 4.340 4.480 -0.001 0.000 0.263 327 M C 2.410 178.710 176.300 -0.001 0.000 1.065 327 M CA 1.268 56.603 55.300 0.058 0.000 1.122 327 M CB -0.256 32.347 32.600 0.004 0.000 1.365 327 M HN 0.254 nan 8.290 nan 0.000 0.411 328 V N -1.283 118.624 119.914 -0.011 0.000 2.548 328 V HA -0.152 3.968 4.120 -0.001 0.000 0.249 328 V C 1.883 177.959 176.094 -0.030 0.000 1.055 328 V CA 2.237 64.563 62.300 0.043 0.000 1.065 328 V CB -0.853 31.134 31.823 0.275 0.000 0.681 328 V HN 0.405 nan 8.190 nan 0.000 0.462 329 T N 1.242 115.688 114.554 -0.179 0.000 2.746 329 T HA -0.018 4.332 4.350 -0.001 0.000 0.267 329 T C 2.136 176.529 174.700 -0.512 0.000 1.039 329 T CA 1.853 63.722 62.100 -0.384 0.000 1.142 329 T CB -0.597 67.868 68.868 -0.673 0.000 0.866 329 T HN 0.771 nan 8.240 nan 0.000 0.444 330 A N 1.214 123.783 122.820 -0.418 0.000 1.969 330 A HA -0.098 4.222 4.320 -0.001 0.000 0.218 330 A C 2.527 180.115 177.584 0.005 0.000 1.169 330 A CA 1.900 53.870 52.037 -0.112 0.000 0.635 330 A CB -1.086 18.081 19.000 0.278 0.000 0.810 330 A HN 0.469 nan 8.150 nan 0.000 0.445 331 T N -0.312 114.231 114.554 -0.019 0.000 2.701 331 T HA -0.009 4.340 4.350 -0.001 0.000 0.263 331 T C 2.037 176.736 174.700 -0.002 0.000 1.040 331 T CA 1.388 63.483 62.100 -0.009 0.000 1.147 331 T CB -0.710 68.130 68.868 -0.046 0.000 0.865 331 T HN 0.556 nan 8.240 nan 0.000 0.426 332 G N 1.113 109.904 108.800 -0.015 0.000 2.440 332 G HA2 -0.226 3.733 3.960 -0.001 0.000 0.218 332 G HA3 -0.226 3.733 3.960 -0.001 0.000 0.218 332 G C 1.705 176.605 174.900 0.001 0.000 1.154 332 G CA 1.511 46.611 45.100 -0.001 0.000 0.767 332 G HN 0.460 nan 8.290 nan 0.000 0.552 333 T N 0.462 115.007 114.554 -0.014 0.000 2.812 333 T HA -0.089 4.260 4.350 -0.001 0.000 0.264 333 T C 2.637 177.370 174.700 0.056 0.000 1.042 333 T CA 1.418 63.542 62.100 0.041 0.000 1.140 333 T CB -0.295 68.648 68.868 0.125 0.000 0.870 333 T HN 0.310 nan 8.240 nan 0.000 0.445 334 S N 0.928 116.667 115.700 0.066 0.000 2.365 334 S HA -0.077 4.393 4.470 -0.001 0.000 0.225 334 S C 1.994 176.627 174.600 0.054 0.000 1.039 334 S CA 1.102 59.341 58.200 0.065 0.000 1.033 334 S CB -0.528 62.716 63.200 0.074 0.000 0.887 334 S HN 0.414 nan 8.310 nan 0.000 0.447 335 L N 0.448 121.698 121.223 0.046 0.000 2.083 335 L HA -0.085 4.254 4.340 -0.001 0.000 0.209 335 L C 2.345 179.236 176.870 0.035 0.000 1.083 335 L CA 0.580 55.448 54.840 0.046 0.000 0.752 335 L CB -0.398 41.685 42.059 0.039 0.000 0.899 335 L HN 0.314 nan 8.230 nan 0.000 0.433 336 L N -0.972 120.264 121.223 0.022 0.000 2.027 336 L HA -0.144 4.195 4.340 -0.001 0.000 0.206 336 L C 2.405 179.278 176.870 0.004 0.000 1.074 336 L CA 1.467 56.311 54.840 0.007 0.000 0.745 336 L CB -0.666 41.397 42.059 0.007 0.000 0.898 336 L HN -0.041 nan 8.230 nan 0.000 0.433 337 V N -0.466 119.448 119.914 -0.001 0.000 2.343 337 V HA -0.263 3.856 4.120 -0.001 0.000 0.247 337 V C 2.676 178.771 176.094 0.002 0.000 1.051 337 V CA 1.511 63.794 62.300 -0.028 0.000 1.036 337 V CB -1.103 30.682 31.823 -0.064 0.000 0.654 337 V HN 0.495 nan 8.190 nan 0.000 0.451 338 A N -0.235 122.618 122.820 0.056 0.000 1.933 338 A HA -0.240 4.079 4.320 -0.001 0.000 0.218 338 A C 2.178 179.854 177.584 0.153 0.000 1.175 338 A CA 1.978 54.110 52.037 0.159 0.000 0.628 338 A CB -0.465 18.666 19.000 0.218 0.000 0.814 338 A HN 0.538 nan 8.150 nan 0.000 0.444 339 E N -0.112 120.141 120.200 0.089 0.000 2.072 339 E HA -0.143 4.206 4.350 -0.001 0.000 0.191 339 E C 2.166 178.801 176.600 0.059 0.000 0.985 339 E CA 1.275 57.721 56.400 0.077 0.000 0.801 339 E CB -0.213 29.514 29.700 0.044 0.000 0.750 339 E HN 0.545 nan 8.360 nan 0.000 0.452 340 R N -0.536 119.982 120.500 0.029 0.000 2.115 340 R HA -0.099 4.240 4.340 -0.001 0.000 0.230 340 R C 2.198 178.501 176.300 0.006 0.000 1.111 340 R CA 1.142 57.247 56.100 0.008 0.000 0.976 340 R CB -0.212 30.077 30.300 -0.018 0.000 0.870 340 R HN 0.252 nan 8.270 nan 0.000 0.445 341 L N 0.073 121.301 121.223 0.008 0.000 2.095 341 L HA 0.088 4.428 4.340 -0.001 0.000 0.204 341 L C 2.123 179.015 176.870 0.038 0.000 1.080 341 L CA 1.824 56.650 54.840 -0.022 0.000 0.759 341 L CB -0.522 41.471 42.059 -0.110 0.000 0.914 341 L HN 0.102 nan 8.230 nan 0.000 0.439 342 A N -0.167 122.729 122.820 0.127 0.000 1.986 342 A HA -0.159 4.160 4.320 -0.001 0.000 0.220 342 A C 2.375 180.013 177.584 0.091 0.000 1.171 342 A CA 1.800 53.926 52.037 0.149 0.000 0.640 342 A CB -1.087 17.997 19.000 0.141 0.000 0.811 342 A HN 0.580 nan 8.150 nan 0.000 0.451 343 A N -1.045 121.814 122.820 0.065 0.000 2.119 343 A HA -0.056 4.263 4.320 -0.001 0.000 0.216 343 A C 1.972 179.577 177.584 0.034 0.000 1.152 343 A CA 1.168 53.234 52.037 0.049 0.000 0.708 343 A CB -0.324 18.700 19.000 0.040 0.000 0.805 343 A HN 0.672 nan 8.150 nan 0.000 0.460 344 Q N -0.478 119.336 119.800 0.023 0.000 2.389 344 Q HA 0.173 4.512 4.340 -0.001 0.000 0.204 344 Q C -0.110 175.901 176.000 0.017 0.000 0.944 344 Q CA 0.177 55.985 55.803 0.008 0.000 0.908 344 Q CB 0.025 28.754 28.738 -0.016 0.000 1.002 344 Q HN 0.634 nan 8.270 nan 0.000 0.493 345 I N 2.751 123.343 120.570 0.037 0.000 2.372 345 I HA -0.054 4.115 4.170 -0.001 0.000 0.298 345 I C 0.171 176.321 176.117 0.055 0.000 1.137 345 I CA -0.270 61.061 61.300 0.053 0.000 1.314 345 I CB 0.400 38.455 38.000 0.092 0.000 1.444 345 I HN -0.002 nan 8.210 nan 0.000 0.541 346 D N 4.746 125.171 120.400 0.042 0.000 2.183 346 D HA 0.004 4.644 4.640 -0.001 0.000 0.203 346 D C 0.883 177.212 176.300 0.049 0.000 0.969 346 D CA 1.225 55.249 54.000 0.041 0.000 0.842 346 D CB 0.218 41.036 40.800 0.030 0.000 0.957 346 D HN 0.434 nan 8.370 nan 0.000 0.484 347 R N -0.467 120.066 120.500 0.055 0.000 2.579 347 R HA 0.384 4.724 4.340 -0.001 0.000 0.260 347 R C -1.772 174.572 176.300 0.072 0.000 1.103 347 R CA -0.490 55.645 56.100 0.058 0.000 0.942 347 R CB 1.074 31.400 30.300 0.043 0.000 1.251 347 R HN -0.063 nan 8.270 nan 0.000 0.450 348 L N 2.533 123.806 121.223 0.083 0.000 2.342 348 L HA 0.801 5.140 4.340 -0.001 0.000 0.271 348 L C 0.449 177.347 176.870 0.048 0.000 1.008 348 L CA -0.295 54.604 54.840 0.098 0.000 0.818 348 L CB 2.090 44.243 42.059 0.156 0.000 1.296 348 L HN 0.960 nan 8.230 nan 0.000 0.427 349 G N 1.106 109.932 108.800 0.044 0.000 2.663 349 G HA2 0.166 4.125 3.960 -0.001 0.000 0.686 349 G HA3 0.166 4.125 3.960 -0.001 0.000 0.686 349 G C -0.672 174.228 174.900 0.001 0.000 1.288 349 G CA -0.409 44.693 45.100 0.003 0.000 0.836 349 G HN 0.930 nan 8.290 nan 0.000 0.584 350 A N 0.000 122.812 122.820 -0.013 0.000 2.254 350 A HA 0.000 4.319 4.320 -0.001 0.000 0.244 350 A CA 0.000 52.035 52.037 -0.004 0.000 0.836 350 A CB 0.000 18.997 19.000 -0.005 0.000 0.831 350 A HN 0.000 nan 8.150 nan 0.000 0.486