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 3izj_1_K DATA FIRST_RESID 5131 DATA SEQUENCE VLPENMKRYM GRDAQRMNIL AGRIIAETVR STLGPKGMDK MLVDDLGDVV DATA SEQUENCE VTNDGVTILR EMSVEHPAAK MLIEVAKTQE KEVGDGTTTA VVVAGELLRK DATA SEQUENCE AEELLDQNVH PTIVVKGYQA AAQKAQELLK TIACEVGAQD KEILTKIAMT DATA SEQUENCE SITGKGAEKA KEKLAEIIVE AVSAVVDDEG KVDKDLIKIE KKSGASIDDT DATA SEQUENCE ELIKGVLVDK ERVSAQMPKK VTDAKIALLN CAIEIKETET DAEIRITDPA DATA SEQUENCE KLMEFIEQEE KMLKDMVAEI KASGANVLFC QKGIDDLAQH YLAKEGIVAA DATA SEQUENCE RRVKKSDMEK LAKATGANVI AAIAALSAQD LGDAGLVEER KISGDSMIFV DATA SEQUENCE EECKHPKAVT MLIRGTTEHV IEEVARAVDD AVGVVGCTIE DGRIVSGGGS DATA SEQUENCE TEVELSMKLR EYAEGISGRE QLAVRAFADA LEVIPRTLAE NAGLDAIEIL DATA SEQUENCE VKVRAAHASN GNKCAGLNVF TGAVEDMCEN GVVEPLRVKT QAIQSAAEST DATA SEQUENCE EMLLRIDDVI AAE 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 5131 V HA 0.000 nan 4.120 nan 0.000 0.244 5131 V C 0.000 176.090 176.094 -0.007 0.000 1.182 5131 V CA 0.000 62.296 62.300 -0.007 0.000 1.235 5131 V CB 0.000 31.819 31.823 -0.006 0.000 1.184 5132 L N 2.643 123.860 121.223 -0.010 0.000 2.375 5132 L HA 0.475 4.815 4.340 0.000 0.000 0.271 5132 L C -2.074 174.789 176.870 -0.011 0.000 1.107 5132 L CA -1.502 53.331 54.840 -0.010 0.000 0.806 5132 L CB 0.352 42.402 42.059 -0.015 0.000 1.146 5132 L HN 0.137 nan 8.230 nan 0.000 0.447 5133 P HA 0.028 nan 4.420 nan 0.000 0.265 5133 P C -0.945 176.348 177.300 -0.012 0.000 1.187 5133 P CA -0.198 62.898 63.100 -0.008 0.000 0.766 5133 P CB 0.369 32.066 31.700 -0.004 0.000 0.820 5134 E N 2.812 123.006 120.200 -0.011 0.000 2.417 5134 E HA 0.076 4.426 4.350 0.000 0.000 0.261 5134 E C 0.586 177.178 176.600 -0.013 0.000 1.000 5134 E CA 0.591 56.982 56.400 -0.014 0.000 0.919 5134 E CB -0.049 29.644 29.700 -0.012 0.000 0.955 5134 E HN 0.347 nan 8.360 nan 0.000 0.455 5135 N N 0.595 119.284 118.700 -0.019 0.000 2.990 5135 N HA -0.177 4.563 4.740 0.000 0.000 0.163 5135 N C -0.215 175.283 175.510 -0.020 0.000 1.452 5135 N CA 0.523 53.563 53.050 -0.017 0.000 1.624 5135 N CB -1.038 37.444 38.487 -0.009 0.000 1.088 5135 N HN 0.552 nan 8.380 nan 0.000 0.695 5136 M N 3.011 122.599 119.600 -0.020 0.000 2.248 5136 M HA 0.045 4.525 4.480 0.000 0.000 0.345 5136 M C 0.327 176.598 176.300 -0.048 0.000 1.243 5136 M CA 0.413 55.700 55.300 -0.021 0.000 1.090 5136 M CB 0.458 33.049 32.600 -0.015 0.000 1.683 5136 M HN 0.100 nan 8.290 nan 0.000 0.450 5137 K N 5.161 125.528 120.400 -0.056 0.000 2.164 5137 K HA 0.599 4.919 4.320 0.000 0.000 0.258 5137 K C -1.123 175.372 176.600 -0.174 0.000 0.951 5137 K CA -0.958 55.245 56.287 -0.140 0.000 0.844 5137 K CB 2.026 34.447 32.500 -0.132 0.000 1.099 5137 K HN 0.792 nan 8.250 nan 0.000 0.435 5138 R N 2.651 122.961 120.500 -0.316 0.000 2.673 5138 R HA 0.306 4.646 4.340 0.000 0.000 0.281 5138 R C -1.657 174.363 176.300 -0.467 0.000 0.991 5138 R CA -0.670 55.279 56.100 -0.251 0.000 0.896 5138 R CB 1.318 31.552 30.300 -0.111 0.000 1.201 5138 R HN 0.735 nan 8.270 nan 0.000 0.457 5139 Y N 4.270 124.555 120.300 -0.026 0.000 2.429 5139 Y HA 0.546 5.096 4.550 0.000 0.000 0.342 5139 Y C 0.377 176.260 175.900 -0.028 0.000 1.004 5139 Y CA -0.875 57.205 58.100 -0.033 0.000 1.075 5139 Y CB 2.127 40.558 38.460 -0.048 0.000 1.214 5139 Y HN 0.389 nan 8.280 nan 0.000 0.455 5140 M N 1.083 120.746 119.600 0.105 0.000 2.465 5140 M HA 0.772 5.252 4.480 0.000 0.000 0.284 5140 M C 0.044 176.363 176.300 0.031 0.000 1.212 5140 M CA -0.298 55.032 55.300 0.048 0.000 0.910 5140 M CB 1.275 33.884 32.600 0.015 0.000 1.725 5140 M HN 0.834 nan 8.290 nan 0.000 0.477 5141 G N 3.240 112.047 108.800 0.011 0.000 2.591 5141 G HA2 -0.333 3.627 3.960 0.000 0.000 0.298 5141 G HA3 -0.333 3.627 3.960 0.000 0.000 0.298 5141 G C 0.563 175.457 174.900 -0.010 0.000 1.195 5141 G CA 0.828 45.923 45.100 -0.009 0.000 0.989 5141 G HN 0.944 nan 8.290 nan 0.000 0.551 5142 R N 0.749 121.241 120.500 -0.013 0.000 2.237 5142 R HA 0.050 4.390 4.340 0.000 0.000 0.219 5142 R C 1.962 178.264 176.300 0.004 0.000 1.080 5142 R CA 1.259 57.351 56.100 -0.014 0.000 0.995 5142 R CB -0.198 30.092 30.300 -0.017 0.000 0.875 5142 R HN 0.500 nan 8.270 nan 0.000 0.462 5143 D N 0.589 121.007 120.400 0.030 0.000 2.162 5143 D HA -0.039 4.601 4.640 0.000 0.000 0.203 5143 D C 1.800 178.154 176.300 0.090 0.000 0.967 5143 D CA 1.207 55.254 54.000 0.078 0.000 0.840 5143 D CB -0.118 40.751 40.800 0.115 0.000 0.972 5143 D HN 0.182 nan 8.370 nan 0.000 0.482 5144 A N 0.922 123.791 122.820 0.081 0.000 1.933 5144 A HA -0.184 4.136 4.320 0.000 0.000 0.218 5144 A C 2.076 179.630 177.584 -0.051 0.000 1.175 5144 A CA 1.197 53.257 52.037 0.039 0.000 0.628 5144 A CB -0.317 18.713 19.000 0.049 0.000 0.814 5144 A HN 0.082 nan 8.150 nan 0.000 0.444 5145 Q N -0.806 118.973 119.800 -0.035 0.000 2.123 5145 Q HA -0.134 4.206 4.340 0.000 0.000 0.199 5145 Q C 2.216 178.181 176.000 -0.059 0.000 0.966 5145 Q CA 1.550 57.324 55.803 -0.047 0.000 0.845 5145 Q CB -0.383 28.332 28.738 -0.038 0.000 0.907 5145 Q HN 0.628 nan 8.270 nan 0.000 0.439 5146 R N 1.034 121.503 120.500 -0.051 0.000 2.083 5146 R HA -0.079 4.261 4.340 0.000 0.000 0.237 5146 R C 2.097 178.329 176.300 -0.113 0.000 1.137 5146 R CA 1.488 57.555 56.100 -0.055 0.000 0.951 5146 R CB -0.599 29.687 30.300 -0.023 0.000 0.851 5146 R HN 0.181 nan 8.270 nan 0.000 0.434 5147 M N 0.452 119.928 119.600 -0.206 0.000 2.132 5147 M HA -0.119 4.361 4.480 0.000 0.000 0.263 5147 M C 0.986 177.082 176.300 -0.340 0.000 1.065 5147 M CA 1.793 56.852 55.300 -0.402 0.000 1.122 5147 M CB -0.702 31.401 32.600 -0.827 0.000 1.365 5147 M HN 0.154 nan 8.290 nan 0.000 0.411 5148 N N 0.996 119.553 118.700 -0.239 0.000 2.166 5148 N HA -0.110 4.630 4.740 0.000 0.000 0.186 5148 N C 1.739 177.203 175.510 -0.078 0.000 1.019 5148 N CA 1.334 54.297 53.050 -0.145 0.000 0.856 5148 N CB -0.399 38.030 38.487 -0.096 0.000 0.993 5148 N HN 0.359 nan 8.380 nan 0.000 0.426 5149 I N 1.024 121.555 120.570 -0.065 0.000 2.252 5149 I HA -0.134 4.036 4.170 0.000 0.000 0.245 5149 I C 2.191 178.296 176.117 -0.020 0.000 1.102 5149 I CA 0.682 61.966 61.300 -0.027 0.000 1.385 5149 I CB -1.036 36.953 38.000 -0.019 0.000 1.064 5149 I HN 0.101 nan 8.210 nan 0.000 0.414 5150 L N 0.585 121.785 121.223 -0.038 0.000 2.083 5150 L HA -0.180 4.160 4.340 0.000 0.000 0.209 5150 L C 2.805 179.705 176.870 0.050 0.000 1.083 5150 L CA 1.242 56.080 54.840 -0.005 0.000 0.752 5150 L CB -0.633 41.413 42.059 -0.022 0.000 0.899 5150 L HN 0.183 nan 8.230 nan 0.000 0.433 5151 A N 0.316 123.165 122.820 0.049 0.000 1.858 5151 A HA -0.139 4.181 4.320 0.000 0.000 0.216 5151 A C 2.396 180.029 177.584 0.082 0.000 1.190 5151 A CA 1.866 54.014 52.037 0.183 0.000 0.617 5151 A CB -1.322 17.740 19.000 0.104 0.000 0.827 5151 A HN 0.424 nan 8.150 nan 0.000 0.443 5152 G N -0.912 107.909 108.800 0.035 0.000 2.408 5152 G HA2 -0.189 3.771 3.960 0.000 0.000 0.217 5152 G HA3 -0.189 3.771 3.960 0.000 0.000 0.217 5152 G C 1.700 176.607 174.900 0.013 0.000 1.150 5152 G CA 1.173 46.285 45.100 0.020 0.000 0.776 5152 G HN 0.514 nan 8.290 nan 0.000 0.542 5153 R N 0.515 121.023 120.500 0.013 0.000 2.081 5153 R HA 0.095 4.435 4.340 0.000 0.000 0.235 5153 R C 2.433 178.736 176.300 0.006 0.000 1.131 5153 R CA 1.126 57.230 56.100 0.006 0.000 0.960 5153 R CB -0.591 29.712 30.300 0.006 0.000 0.856 5153 R HN 0.427 nan 8.270 nan 0.000 0.436 5154 I N 0.069 120.649 120.570 0.016 0.000 2.202 5154 I HA -0.249 3.921 4.170 0.000 0.000 0.242 5154 I C 1.785 177.899 176.117 -0.005 0.000 1.091 5154 I CA 0.766 62.071 61.300 0.008 0.000 1.368 5154 I CB -0.266 37.744 38.000 0.016 0.000 1.058 5154 I HN 0.144 nan 8.210 nan 0.000 0.410 5155 I N 1.197 121.766 120.570 -0.002 0.000 2.163 5155 I HA -0.303 3.867 4.170 0.000 0.000 0.243 5155 I C 2.817 178.927 176.117 -0.013 0.000 1.085 5155 I CA 1.916 63.210 61.300 -0.010 0.000 1.347 5155 I CB -1.490 36.507 38.000 -0.005 0.000 1.044 5155 I HN 0.204 nan 8.210 nan 0.000 0.408 5156 A N 0.191 123.005 122.820 -0.010 0.000 1.930 5156 A HA -0.214 4.106 4.320 0.000 0.000 0.217 5156 A C 2.260 179.833 177.584 -0.019 0.000 1.175 5156 A CA 1.681 53.708 52.037 -0.016 0.000 0.627 5156 A CB -0.501 18.488 19.000 -0.017 0.000 0.815 5156 A HN 0.407 nan 8.150 nan 0.000 0.443 5157 E N 0.328 120.519 120.200 -0.015 0.000 2.106 5157 E HA -0.146 4.204 4.350 0.000 0.000 0.192 5157 E C 2.040 178.629 176.600 -0.018 0.000 0.984 5157 E CA 2.221 58.611 56.400 -0.016 0.000 0.806 5157 E CB -0.438 29.255 29.700 -0.011 0.000 0.750 5157 E HN 0.663 nan 8.360 nan 0.000 0.458 5158 T N -2.648 111.895 114.554 -0.019 0.000 2.976 5158 T HA 0.026 4.376 4.350 0.000 0.000 0.257 5158 T C 1.958 176.645 174.700 -0.022 0.000 1.051 5158 T CA 0.806 62.893 62.100 -0.021 0.000 1.141 5158 T CB -0.411 68.443 68.868 -0.023 0.000 0.881 5158 T HN 0.034 nan 8.240 nan 0.000 0.461 5159 V N 2.857 122.758 119.914 -0.021 0.000 2.788 5159 V HA 0.031 4.151 4.120 0.000 0.000 0.251 5159 V C 2.887 178.966 176.094 -0.024 0.000 1.068 5159 V CA 1.422 63.709 62.300 -0.022 0.000 1.090 5159 V CB -0.585 31.226 31.823 -0.020 0.000 0.710 5159 V HN 0.648 nan 8.190 nan 0.000 0.467 5160 R N 0.986 121.471 120.500 -0.026 0.000 2.200 5160 R HA -0.115 4.225 4.340 0.000 0.000 0.234 5160 R C 1.912 178.193 176.300 -0.031 0.000 1.127 5160 R CA 1.773 57.855 56.100 -0.030 0.000 0.989 5160 R CB -1.029 29.253 30.300 -0.031 0.000 0.869 5160 R HN 0.628 nan 8.270 nan 0.000 0.459 5161 S N 0.240 115.922 115.700 -0.029 0.000 2.595 5161 S HA -0.084 4.386 4.470 0.000 0.000 0.235 5161 S C 1.654 176.235 174.600 -0.031 0.000 0.974 5161 S CA 0.875 59.056 58.200 -0.031 0.000 0.942 5161 S CB -0.067 63.116 63.200 -0.028 0.000 0.766 5161 S HN 0.610 nan 8.310 nan 0.000 0.536 5162 T N -1.166 113.370 114.554 -0.029 0.000 3.037 5162 T HA 0.311 4.661 4.350 0.000 0.000 0.251 5162 T C 0.421 175.103 174.700 -0.030 0.000 1.079 5162 T CA -0.475 61.608 62.100 -0.027 0.000 1.067 5162 T CB -0.468 68.387 68.868 -0.022 0.000 0.948 5162 T HN 0.276 nan 8.240 nan 0.000 0.496 5163 L N 2.897 124.099 121.223 -0.034 0.000 2.462 5163 L HA 0.516 4.856 4.340 0.000 0.000 0.272 5163 L C 0.703 177.546 176.870 -0.046 0.000 1.166 5163 L CA 1.617 56.435 54.840 -0.036 0.000 0.880 5163 L CB -0.670 41.367 42.059 -0.038 0.000 1.142 5163 L HN 0.735 nan 8.230 nan 0.000 0.473 5164 G N 4.039 112.814 108.800 -0.042 0.000 2.663 5164 G HA2 -0.147 3.813 3.960 0.000 0.000 0.686 5164 G HA3 -0.147 3.813 3.960 0.000 0.000 0.686 5164 G C -2.100 172.760 174.900 -0.068 0.000 1.288 5164 G CA -0.459 44.607 45.100 -0.058 0.000 0.836 5164 G HN 0.482 nan 8.290 nan 0.000 0.584 5165 P HA -0.015 nan 4.420 nan 0.000 0.218 5165 P C 1.409 178.615 177.300 -0.157 0.000 1.148 5165 P CA 1.492 64.521 63.100 -0.118 0.000 0.822 5165 P CB 0.047 31.577 31.700 -0.284 0.000 0.784 5166 K N -0.691 119.590 120.400 -0.198 0.000 2.446 5166 K HA 0.257 4.577 4.320 0.000 0.000 0.203 5166 K C 0.952 177.497 176.600 -0.090 0.000 1.027 5166 K CA -0.189 56.007 56.287 -0.152 0.000 1.166 5166 K CB -0.374 32.016 32.500 -0.183 0.000 0.869 5166 K HN 0.035 nan 8.250 nan 0.000 0.504 5167 G N 0.376 109.133 108.800 -0.072 0.000 2.569 5167 G HA2 0.222 4.182 3.960 0.000 0.000 0.249 5167 G HA3 0.222 4.182 3.960 0.000 0.000 0.249 5167 G C -0.018 174.859 174.900 -0.038 0.000 1.216 5167 G CA -0.432 44.638 45.100 -0.050 0.000 0.845 5167 G HN -0.029 nan 8.290 nan 0.000 0.568 5168 M N -0.049 119.531 119.600 -0.033 0.000 2.705 5168 M HA 0.409 4.889 4.480 0.000 0.000 0.272 5168 M C -0.691 175.595 176.300 -0.024 0.000 1.172 5168 M CA -0.513 54.771 55.300 -0.027 0.000 0.901 5168 M CB 1.404 33.987 32.600 -0.028 0.000 1.516 5168 M HN 0.389 nan 8.290 nan 0.000 0.530 5169 D N -0.222 120.164 120.400 -0.024 0.000 2.269 5169 D HA 0.474 5.114 4.640 0.000 0.000 0.244 5169 D C -0.978 175.307 176.300 -0.026 0.000 0.992 5169 D CA -0.370 53.616 54.000 -0.024 0.000 0.894 5169 D CB 1.414 42.199 40.800 -0.025 0.000 1.248 5169 D HN 0.098 nan 8.370 nan 0.000 0.468 5170 K N 0.739 121.124 120.400 -0.025 0.000 2.123 5170 K HA 0.612 4.932 4.320 0.000 0.000 0.248 5170 K C -0.808 175.774 176.600 -0.030 0.000 0.969 5170 K CA -0.519 55.752 56.287 -0.026 0.000 0.882 5170 K CB 1.317 33.803 32.500 -0.023 0.000 1.080 5170 K HN 0.364 nan 8.250 nan 0.000 0.441 5171 M N 3.306 122.887 119.600 -0.031 0.000 2.022 5171 M HA 0.328 4.808 4.480 0.000 0.000 0.298 5171 M C -1.706 174.578 176.300 -0.028 0.000 0.909 5171 M CA -0.918 54.361 55.300 -0.036 0.000 0.914 5171 M CB 0.568 33.143 32.600 -0.042 0.000 1.486 5171 M HN 0.308 nan 8.290 nan 0.000 0.415 5172 L N 5.059 126.268 121.223 -0.023 0.000 2.275 5172 L HA 0.562 4.903 4.340 0.000 0.000 0.288 5172 L C -0.680 176.182 176.870 -0.013 0.000 1.046 5172 L CA -0.323 54.507 54.840 -0.017 0.000 0.805 5172 L CB 1.739 43.790 42.059 -0.014 0.000 1.193 5172 L HN 0.360 nan 8.230 nan 0.000 0.426 5173 V N 2.579 122.486 119.914 -0.012 0.000 2.409 5173 V HA 0.349 4.469 4.120 0.000 0.000 0.291 5173 V C -0.057 176.033 176.094 -0.005 0.000 1.020 5173 V CA -0.856 61.439 62.300 -0.008 0.000 0.848 5173 V CB 1.565 33.383 31.823 -0.009 0.000 0.990 5173 V HN 0.633 nan 8.190 nan 0.000 0.430 5174 D N 2.504 122.903 120.400 -0.001 0.000 2.384 5174 D HA 0.046 4.686 4.640 0.000 0.000 0.244 5174 D C 1.021 177.320 176.300 -0.001 0.000 1.251 5174 D CA -0.115 53.884 54.000 -0.001 0.000 0.961 5174 D CB 1.274 42.075 40.800 0.002 0.000 1.116 5174 D HN 0.703 nan 8.370 nan 0.000 0.484 5175 D N -0.480 119.919 120.400 -0.001 0.000 2.263 5175 D HA -0.116 4.525 4.640 0.000 0.000 0.208 5175 D C 1.530 177.831 176.300 0.001 0.000 0.971 5175 D CA 0.831 54.831 54.000 -0.001 0.000 0.867 5175 D CB 0.116 40.916 40.800 -0.001 0.000 0.929 5175 D HN 0.118 nan 8.370 nan 0.000 0.492 5176 L N -1.169 120.055 121.223 0.002 0.000 2.509 5176 L HA 0.344 4.684 4.340 0.000 0.000 0.222 5176 L C 2.047 178.920 176.870 0.005 0.000 1.123 5176 L CA 0.998 55.840 54.840 0.003 0.000 0.856 5176 L CB 0.134 42.196 42.059 0.004 0.000 0.985 5176 L HN 0.268 nan 8.230 nan 0.000 0.456 5177 G N -1.540 107.263 108.800 0.004 0.000 2.201 5177 G HA2 -0.248 3.712 3.960 0.000 0.000 0.212 5177 G HA3 -0.248 3.712 3.960 0.000 0.000 0.212 5177 G C 0.281 175.187 174.900 0.009 0.000 0.994 5177 G CA 0.069 45.172 45.100 0.006 0.000 0.644 5177 G HN 0.317 nan 8.290 nan 0.000 0.508 5178 D N 1.193 121.600 120.400 0.011 0.000 2.487 5178 D HA 0.355 4.995 4.640 0.000 0.000 0.243 5178 D C 0.459 176.769 176.300 0.017 0.000 1.154 5178 D CA 0.389 54.400 54.000 0.018 0.000 0.876 5178 D CB 1.059 41.869 40.800 0.017 0.000 1.161 5178 D HN 0.257 nan 8.370 nan 0.000 0.478 5179 V N 4.938 124.869 119.914 0.027 0.000 2.398 5179 V HA 0.377 4.498 4.120 0.000 0.000 0.286 5179 V C 0.114 176.224 176.094 0.026 0.000 1.026 5179 V CA -0.827 61.481 62.300 0.014 0.000 0.868 5179 V CB 1.684 33.508 31.823 0.001 0.000 0.982 5179 V HN 0.401 nan 8.190 nan 0.000 0.443 5180 V N 6.414 126.331 119.914 0.004 0.000 2.656 5180 V HA 0.675 4.795 4.120 0.000 0.000 0.307 5180 V C -0.774 175.305 176.094 -0.025 0.000 1.051 5180 V CA -0.294 62.011 62.300 0.009 0.000 0.893 5180 V CB 2.341 34.174 31.823 0.016 0.000 0.999 5180 V HN 0.622 nan 8.190 nan 0.000 0.426 5181 V N 5.812 125.703 119.914 -0.039 0.000 2.409 5181 V HA 0.781 4.901 4.120 0.000 0.000 0.291 5181 V C 0.014 176.095 176.094 -0.021 0.000 1.020 5181 V CA -0.087 62.181 62.300 -0.054 0.000 0.848 5181 V CB 1.552 33.309 31.823 -0.108 0.000 0.990 5181 V HN 1.038 nan 8.190 nan 0.000 0.430 5182 T N 2.546 117.089 114.554 -0.018 0.000 2.802 5182 T HA 0.323 4.673 4.350 0.000 0.000 0.311 5182 T C 0.080 174.773 174.700 -0.012 0.000 1.405 5182 T CA -0.378 61.717 62.100 -0.008 0.000 1.016 5182 T CB 2.029 70.896 68.868 -0.002 0.000 1.352 5182 T HN 0.661 nan 8.240 nan 0.000 0.498 5183 N N 1.181 119.877 118.700 -0.008 0.000 2.210 5183 N HA 0.074 4.814 4.740 0.000 0.000 0.203 5183 N C -0.315 175.190 175.510 -0.008 0.000 1.175 5183 N CA -0.006 53.038 53.050 -0.010 0.000 0.894 5183 N CB 0.477 38.959 38.487 -0.008 0.000 1.041 5183 N HN 0.691 nan 8.380 nan 0.000 0.506 5184 D N -0.057 120.340 120.400 -0.005 0.000 2.371 5184 D HA 0.202 4.843 4.640 0.000 0.000 0.256 5184 D C 1.485 177.781 176.300 -0.007 0.000 1.193 5184 D CA 0.206 54.203 54.000 -0.004 0.000 0.881 5184 D CB 1.038 41.837 40.800 -0.001 0.000 1.143 5184 D HN 0.263 nan 8.370 nan 0.000 0.473 5185 G N 2.654 111.449 108.800 -0.008 0.000 2.440 5185 G HA2 -0.246 3.714 3.960 0.000 0.000 0.218 5185 G HA3 -0.246 3.714 3.960 0.000 0.000 0.218 5185 G C 1.532 176.427 174.900 -0.008 0.000 1.154 5185 G CA 0.758 45.852 45.100 -0.010 0.000 0.767 5185 G HN 0.490 nan 8.290 nan 0.000 0.552 5186 V N 0.839 120.749 119.914 -0.005 0.000 2.261 5186 V HA -0.185 3.935 4.120 0.000 0.000 0.246 5186 V C 3.185 179.277 176.094 -0.004 0.000 1.047 5186 V CA 2.422 64.720 62.300 -0.004 0.000 1.015 5186 V CB -0.913 30.908 31.823 -0.002 0.000 0.642 5186 V HN 0.408 nan 8.190 nan 0.000 0.446 5187 T N 0.309 114.861 114.554 -0.003 0.000 2.684 5187 T HA -0.168 4.182 4.350 0.000 0.000 0.267 5187 T C 1.805 176.502 174.700 -0.005 0.000 1.036 5187 T CA 1.915 64.014 62.100 -0.002 0.000 1.148 5187 T CB -0.315 68.553 68.868 -0.000 0.000 0.863 5187 T HN 0.339 nan 8.240 nan 0.000 0.436 5188 I N 0.320 120.885 120.570 -0.007 0.000 2.179 5188 I HA -0.149 4.021 4.170 0.000 0.000 0.242 5188 I C 2.100 178.210 176.117 -0.012 0.000 1.088 5188 I CA 1.001 62.294 61.300 -0.011 0.000 1.357 5188 I CB -0.281 37.711 38.000 -0.013 0.000 1.051 5188 I HN 0.160 nan 8.210 nan 0.000 0.409 5189 L N 0.113 121.330 121.223 -0.010 0.000 2.109 5189 L HA -0.089 4.251 4.340 0.000 0.000 0.207 5189 L C 2.502 179.367 176.870 -0.009 0.000 1.086 5189 L CA 1.506 56.339 54.840 -0.011 0.000 0.760 5189 L CB -0.946 41.108 42.059 -0.008 0.000 0.910 5189 L HN 0.147 nan 8.230 nan 0.000 0.437 5190 R N -0.141 120.355 120.500 -0.006 0.000 2.075 5190 R HA -0.108 4.232 4.340 0.000 0.000 0.232 5190 R C 1.892 178.189 176.300 -0.005 0.000 1.126 5190 R CA 1.239 57.337 56.100 -0.004 0.000 0.963 5190 R CB 0.092 30.390 30.300 -0.002 0.000 0.858 5190 R HN 0.337 nan 8.270 nan 0.000 0.435 5191 E N 0.884 121.081 120.200 -0.006 0.000 2.086 5191 E HA -0.052 4.298 4.350 0.000 0.000 0.190 5191 E C 1.282 177.877 176.600 -0.009 0.000 0.975 5191 E CA 0.467 56.864 56.400 -0.006 0.000 0.813 5191 E CB -0.359 29.338 29.700 -0.004 0.000 0.768 5191 E HN 0.448 nan 8.360 nan 0.000 0.457 5192 M N -0.020 119.572 119.600 -0.013 0.000 2.240 5192 M HA 0.102 4.582 4.480 0.000 0.000 0.317 5192 M C 0.499 176.787 176.300 -0.020 0.000 1.087 5192 M CA 0.331 55.620 55.300 -0.018 0.000 1.176 5192 M CB 0.568 33.154 32.600 -0.024 0.000 1.439 5192 M HN -0.260 nan 8.290 nan 0.000 0.452 5193 S N 2.316 118.001 115.700 -0.025 0.000 2.473 5193 S HA 0.430 4.900 4.470 0.000 0.000 0.312 5193 S C -0.652 173.924 174.600 -0.041 0.000 1.087 5193 S CA -0.801 57.384 58.200 -0.026 0.000 1.077 5193 S CB -0.235 62.951 63.200 -0.022 0.000 1.065 5193 S HN 0.521 nan 8.310 nan 0.000 0.510 5194 V N 5.072 124.964 119.914 -0.036 0.000 2.546 5194 V HA 0.332 4.452 4.120 0.000 0.000 0.284 5194 V C 1.117 177.187 176.094 -0.041 0.000 1.050 5194 V CA -0.229 62.040 62.300 -0.051 0.000 0.981 5194 V CB 1.513 33.317 31.823 -0.031 0.000 0.990 5194 V HN 0.913 nan 8.190 nan 0.000 0.474 5195 E N 2.478 122.632 120.200 -0.076 0.000 2.256 5195 E HA 0.075 4.426 4.350 0.000 0.000 0.198 5195 E C 0.579 177.228 176.600 0.080 0.000 0.908 5195 E CA 0.435 56.824 56.400 -0.019 0.000 0.915 5195 E CB 0.121 29.793 29.700 -0.046 0.000 0.890 5195 E HN 0.821 nan 8.360 nan 0.000 0.484 5196 H N 1.021 120.077 119.070 -0.023 0.000 2.848 5196 H HA 0.065 4.621 4.556 -0.000 0.000 0.317 5196 H C -1.753 173.554 175.328 -0.035 0.000 1.046 5196 H CA -1.629 54.392 56.048 -0.046 0.000 1.470 5196 H CB 1.367 31.088 29.762 -0.069 0.000 1.483 5196 H HN 0.156 nan 8.280 nan 0.000 0.548 5197 P HA -0.200 nan 4.420 nan 0.000 0.215 5197 P C 1.266 178.580 177.300 0.024 0.000 1.153 5197 P CA 1.503 64.624 63.100 0.036 0.000 0.853 5197 P CB 0.215 31.925 31.700 0.018 0.000 0.788 5198 A N -0.024 122.800 122.820 0.007 0.000 1.930 5198 A HA -0.073 4.248 4.320 0.000 0.000 0.217 5198 A C 2.315 179.914 177.584 0.024 0.000 1.175 5198 A CA 1.929 53.967 52.037 0.001 0.000 0.627 5198 A CB -1.565 17.416 19.000 -0.032 0.000 0.815 5198 A HN 0.188 nan 8.150 nan 0.000 0.443 5199 A N 0.079 122.930 122.820 0.052 0.000 1.933 5199 A HA -0.163 4.157 4.320 0.000 0.000 0.218 5199 A C 2.052 179.650 177.584 0.023 0.000 1.175 5199 A CA 1.754 53.816 52.037 0.041 0.000 0.628 5199 A CB -0.424 18.604 19.000 0.047 0.000 0.814 5199 A HN 0.553 nan 8.150 nan 0.000 0.444 5200 K N -0.955 119.461 120.400 0.026 0.000 2.209 5200 K HA -0.056 4.264 4.320 0.000 0.000 0.204 5200 K C 1.821 178.430 176.600 0.015 0.000 1.048 5200 K CA 1.211 57.508 56.287 0.017 0.000 0.940 5200 K CB -0.189 32.323 32.500 0.020 0.000 0.729 5200 K HN 0.387 nan 8.250 nan 0.000 0.451 5201 M N 0.378 119.988 119.600 0.016 0.000 2.236 5201 M HA -0.041 4.439 4.480 0.000 0.000 0.266 5201 M C 2.177 178.486 176.300 0.014 0.000 1.070 5201 M CA 1.138 56.447 55.300 0.015 0.000 1.137 5201 M CB -0.663 31.946 32.600 0.015 0.000 1.378 5201 M HN 0.176 nan 8.290 nan 0.000 0.426 5202 L N 0.327 121.558 121.223 0.014 0.000 2.131 5202 L HA -0.197 4.143 4.340 0.000 0.000 0.210 5202 L C 2.249 179.124 176.870 0.008 0.000 1.092 5202 L CA 0.887 55.734 54.840 0.012 0.000 0.759 5202 L CB -0.219 41.846 42.059 0.011 0.000 0.903 5202 L HN 0.187 nan 8.230 nan 0.000 0.435 5203 I N -0.241 120.333 120.570 0.007 0.000 2.248 5203 I HA -0.350 3.820 4.170 0.000 0.000 0.248 5203 I C 2.377 178.496 176.117 0.005 0.000 1.107 5203 I CA 1.332 62.634 61.300 0.004 0.000 1.373 5203 I CB -0.213 37.789 38.000 0.003 0.000 1.055 5203 I HN 0.305 nan 8.210 nan 0.000 0.418 5204 E N 0.599 120.803 120.200 0.007 0.000 2.153 5204 E HA -0.153 4.197 4.350 0.000 0.000 0.194 5204 E C 2.135 178.740 176.600 0.008 0.000 0.988 5204 E CA 0.963 57.368 56.400 0.008 0.000 0.811 5204 E CB 0.003 29.709 29.700 0.010 0.000 0.746 5204 E HN 0.265 nan 8.360 nan 0.000 0.466 5205 V N 0.557 120.477 119.914 0.009 0.000 2.295 5205 V HA -0.287 3.833 4.120 0.000 0.000 0.246 5205 V C 2.304 178.400 176.094 0.004 0.000 1.049 5205 V CA 1.892 64.197 62.300 0.009 0.000 1.024 5205 V CB -0.894 30.935 31.823 0.010 0.000 0.648 5205 V HN 0.444 nan 8.190 nan 0.000 0.447 5206 A N -0.495 122.326 122.820 0.002 0.000 1.972 5206 A HA -0.219 4.101 4.320 0.000 0.000 0.219 5206 A C 2.280 179.864 177.584 0.000 0.000 1.169 5206 A CA 1.842 53.879 52.037 -0.000 0.000 0.635 5206 A CB -0.402 18.596 19.000 -0.002 0.000 0.810 5206 A HN 0.557 nan 8.150 nan 0.000 0.446 5207 K N -0.532 119.869 120.400 0.002 0.000 2.097 5207 K HA -0.102 4.218 4.320 0.000 0.000 0.205 5207 K C 2.189 178.790 176.600 0.002 0.000 1.050 5207 K CA 1.728 58.016 56.287 0.002 0.000 0.938 5207 K CB -0.305 32.197 32.500 0.003 0.000 0.718 5207 K HN 0.729 nan 8.250 nan 0.000 0.442 5208 T N -1.301 113.255 114.554 0.004 0.000 2.951 5208 T HA -0.138 4.212 4.350 0.000 0.000 0.268 5208 T C 1.985 176.687 174.700 0.003 0.000 1.073 5208 T CA 0.818 62.920 62.100 0.004 0.000 1.134 5208 T CB -0.002 68.870 68.868 0.006 0.000 0.884 5208 T HN 0.034 nan 8.240 nan 0.000 0.479 5209 Q N 1.209 121.010 119.800 0.002 0.000 2.079 5209 Q HA -0.068 4.272 4.340 0.000 0.000 0.200 5209 Q C 2.438 178.439 176.000 0.001 0.000 0.974 5209 Q CA 1.452 57.256 55.803 0.001 0.000 0.840 5209 Q CB -0.398 28.340 28.738 -0.000 0.000 0.898 5209 Q HN 0.523 nan 8.270 nan 0.000 0.430 5210 E N -0.086 120.114 120.200 0.000 0.000 2.085 5210 E HA -0.205 4.145 4.350 0.000 0.000 0.194 5210 E C 1.613 178.213 176.600 -0.000 0.000 0.994 5210 E CA 1.149 57.549 56.400 -0.000 0.000 0.801 5210 E CB 0.158 29.857 29.700 -0.000 0.000 0.743 5210 E HN 0.233 nan 8.360 nan 0.000 0.453 5211 K N 0.379 120.779 120.400 0.000 0.000 2.031 5211 K HA -0.133 4.187 4.320 0.000 0.000 0.205 5211 K C 2.129 178.729 176.600 0.000 0.000 1.049 5211 K CA 1.070 57.357 56.287 -0.000 0.000 0.939 5211 K CB -0.279 32.221 32.500 0.000 0.000 0.717 5211 K HN 0.051 nan 8.250 nan 0.000 0.438 5212 E N 0.839 121.039 120.200 0.001 0.000 2.076 5212 E HA -0.107 4.243 4.350 0.000 0.000 0.190 5212 E C 1.719 178.320 176.600 0.001 0.000 0.979 5212 E CA 1.299 57.699 56.400 0.001 0.000 0.807 5212 E CB 0.285 29.987 29.700 0.002 0.000 0.761 5212 E HN 0.088 nan 8.360 nan 0.000 0.454 5213 V N -4.933 114.982 119.914 0.001 0.000 3.473 5213 V HA 0.584 4.704 4.120 0.000 0.000 0.253 5213 V C 1.484 177.579 176.094 0.001 0.000 1.340 5213 V CA 0.850 63.151 62.300 0.001 0.000 1.103 5213 V CB 0.451 32.275 31.823 0.002 0.000 0.881 5213 V HN 0.340 nan 8.190 nan 0.000 0.451 5214 G N 0.687 109.487 108.800 0.001 0.000 3.586 5214 G HA2 -0.265 3.695 3.960 0.000 0.000 0.212 5214 G HA3 -0.265 3.695 3.960 0.000 0.000 0.212 5214 G C 0.166 175.067 174.900 0.001 0.000 1.411 5214 G CA 0.468 45.569 45.100 0.000 0.000 0.898 5214 G HN 0.654 nan 8.290 nan 0.000 0.575 5215 D N 1.168 121.569 120.400 0.002 0.000 2.478 5215 D HA 0.480 5.120 4.640 0.000 0.000 0.269 5215 D C 1.537 177.837 176.300 0.000 0.000 1.232 5215 D CA 1.219 55.220 54.000 0.002 0.000 1.059 5215 D CB 0.615 41.418 40.800 0.005 0.000 1.104 5215 D HN 1.611 nan 8.370 nan 0.000 0.566 5216 G N -0.343 108.457 108.800 -0.001 0.000 2.153 5216 G HA2 -0.326 3.634 3.960 0.000 0.000 0.252 5216 G HA3 -0.326 3.634 3.960 0.000 0.000 0.252 5216 G C 1.037 175.932 174.900 -0.008 0.000 0.994 5216 G CA 1.515 46.612 45.100 -0.005 0.000 0.698 5216 G HN 0.584 nan 8.290 nan 0.000 0.521 5217 T N -2.950 111.600 114.554 -0.006 0.000 2.746 5217 T HA -0.113 4.237 4.350 0.000 0.000 0.267 5217 T C 2.215 176.909 174.700 -0.010 0.000 1.039 5217 T CA 2.419 64.515 62.100 -0.007 0.000 1.142 5217 T CB -0.563 68.302 68.868 -0.005 0.000 0.866 5217 T HN 0.308 nan 8.240 nan 0.000 0.444 5218 T N 2.008 116.555 114.554 -0.013 0.000 2.737 5218 T HA -0.086 4.264 4.350 0.000 0.000 0.265 5218 T C 2.280 176.967 174.700 -0.022 0.000 1.038 5218 T CA 1.816 63.906 62.100 -0.017 0.000 1.144 5218 T CB -0.988 67.869 68.868 -0.019 0.000 0.866 5218 T HN 0.518 nan 8.240 nan 0.000 0.434 5219 T N 2.233 116.773 114.554 -0.022 0.000 2.665 5219 T HA -0.135 4.215 4.350 0.000 0.000 0.268 5219 T C 2.371 177.052 174.700 -0.032 0.000 1.035 5219 T CA 1.335 63.418 62.100 -0.029 0.000 1.151 5219 T CB -0.631 68.222 68.868 -0.025 0.000 0.862 5219 T HN 0.447 nan 8.240 nan 0.000 0.438 5220 A N 0.761 123.567 122.820 -0.023 0.000 1.940 5220 A HA -0.058 4.263 4.320 0.000 0.000 0.219 5220 A C 2.592 180.162 177.584 -0.023 0.000 1.176 5220 A CA 1.458 53.483 52.037 -0.021 0.000 0.631 5220 A CB -0.911 18.082 19.000 -0.011 0.000 0.814 5220 A HN 0.385 nan 8.150 nan 0.000 0.446 5221 V N -0.652 119.250 119.914 -0.020 0.000 2.379 5221 V HA -0.178 3.942 4.120 0.000 0.000 0.245 5221 V C 2.552 178.630 176.094 -0.028 0.000 1.044 5221 V CA 1.735 64.023 62.300 -0.019 0.000 1.036 5221 V CB -0.631 31.183 31.823 -0.015 0.000 0.664 5221 V HN 0.363 nan 8.190 nan 0.000 0.453 5222 V N -0.448 119.446 119.914 -0.034 0.000 2.295 5222 V HA -0.218 3.902 4.120 0.000 0.000 0.246 5222 V C 2.465 178.524 176.094 -0.059 0.000 1.049 5222 V CA 2.131 64.406 62.300 -0.043 0.000 1.024 5222 V CB -0.378 31.418 31.823 -0.044 0.000 0.648 5222 V HN 0.425 nan 8.190 nan 0.000 0.447 5223 V N -0.021 119.849 119.914 -0.072 0.000 2.515 5223 V HA -0.183 3.937 4.120 0.000 0.000 0.250 5223 V C 2.525 178.548 176.094 -0.118 0.000 1.058 5223 V CA 1.997 64.230 62.300 -0.112 0.000 1.064 5223 V CB -0.277 31.472 31.823 -0.124 0.000 0.675 5223 V HN 0.522 nan 8.190 nan 0.000 0.461 5224 A N -0.138 122.640 122.820 -0.071 0.000 1.898 5224 A HA 0.004 4.324 4.320 0.000 0.000 0.216 5224 A C 2.342 179.910 177.584 -0.027 0.000 1.181 5224 A CA 1.701 53.713 52.037 -0.041 0.000 0.620 5224 A CB -1.231 17.762 19.000 -0.012 0.000 0.819 5224 A HN 0.599 nan 8.150 nan 0.000 0.442 5225 G N -0.493 108.290 108.800 -0.029 0.000 2.408 5225 G HA2 -0.202 3.758 3.960 0.000 0.000 0.217 5225 G HA3 -0.202 3.758 3.960 0.000 0.000 0.217 5225 G C 1.461 176.347 174.900 -0.024 0.000 1.150 5225 G CA 1.286 46.375 45.100 -0.018 0.000 0.776 5225 G HN 0.583 nan 8.290 nan 0.000 0.542 5226 E N 0.250 120.420 120.200 -0.051 0.000 2.107 5226 E HA 0.040 4.390 4.350 0.000 0.000 0.191 5226 E C 2.454 179.014 176.600 -0.067 0.000 0.982 5226 E CA 0.433 56.795 56.400 -0.063 0.000 0.809 5226 E CB -0.351 29.294 29.700 -0.093 0.000 0.756 5226 E HN 0.416 nan 8.360 nan 0.000 0.459 5227 L N 0.032 121.195 121.223 -0.100 0.000 2.083 5227 L HA -0.159 4.181 4.340 0.000 0.000 0.209 5227 L C 2.371 179.304 176.870 0.104 0.000 1.083 5227 L CA 0.946 55.729 54.840 -0.096 0.000 0.752 5227 L CB -0.335 41.618 42.059 -0.176 0.000 0.899 5227 L HN 0.249 nan 8.230 nan 0.000 0.433 5228 L N -0.865 120.404 121.223 0.077 0.000 2.156 5228 L HA -0.165 4.175 4.340 0.000 0.000 0.208 5228 L C 2.731 179.638 176.870 0.061 0.000 1.095 5228 L CA 0.608 55.501 54.840 0.088 0.000 0.770 5228 L CB -0.385 41.703 42.059 0.049 0.000 0.914 5228 L HN 0.202 nan 8.230 nan 0.000 0.439 5229 R N 0.903 121.423 120.500 0.034 0.000 2.081 5229 R HA -0.169 4.171 4.340 0.000 0.000 0.235 5229 R C 2.116 178.440 176.300 0.040 0.000 1.131 5229 R CA 1.594 57.707 56.100 0.023 0.000 0.960 5229 R CB -0.098 30.204 30.300 0.003 0.000 0.856 5229 R HN 0.008 nan 8.270 nan 0.000 0.436 5230 K N -0.236 120.199 120.400 0.059 0.000 2.155 5230 K HA 0.144 4.464 4.320 0.000 0.000 0.203 5230 K C 1.816 178.500 176.600 0.141 0.000 1.052 5230 K CA 1.303 57.644 56.287 0.090 0.000 0.948 5230 K CB -0.282 32.271 32.500 0.088 0.000 0.728 5230 K HN 0.292 nan 8.250 nan 0.000 0.448 5231 A N 0.752 123.684 122.820 0.187 0.000 1.902 5231 A HA -0.218 4.102 4.320 0.000 0.000 0.217 5231 A C 2.123 179.732 177.584 0.042 0.000 1.181 5231 A CA 1.809 53.928 52.037 0.137 0.000 0.623 5231 A CB -0.480 18.609 19.000 0.148 0.000 0.818 5231 A HN 0.442 nan 8.150 nan 0.000 0.443 5232 E N -0.322 119.901 120.200 0.039 0.000 2.110 5232 E HA -0.215 4.135 4.350 0.000 0.000 0.193 5232 E C 1.723 178.330 176.600 0.012 0.000 0.988 5232 E CA 1.240 57.647 56.400 0.013 0.000 0.804 5232 E CB -0.056 29.650 29.700 0.010 0.000 0.745 5232 E HN 0.563 nan 8.360 nan 0.000 0.458 5233 E N 0.225 120.440 120.200 0.026 0.000 2.106 5233 E HA -0.160 4.190 4.350 0.000 0.000 0.192 5233 E C 2.088 178.701 176.600 0.022 0.000 0.984 5233 E CA 0.556 56.970 56.400 0.024 0.000 0.806 5233 E CB -0.073 29.646 29.700 0.031 0.000 0.750 5233 E HN 0.274 nan 8.360 nan 0.000 0.458 5234 L N 0.436 121.677 121.223 0.029 0.000 2.156 5234 L HA -0.086 4.254 4.340 0.000 0.000 0.208 5234 L C 2.383 179.249 176.870 -0.006 0.000 1.095 5234 L CA 1.049 55.901 54.840 0.020 0.000 0.770 5234 L CB -0.673 41.403 42.059 0.028 0.000 0.914 5234 L HN 0.084 nan 8.230 nan 0.000 0.439 5235 L N -0.962 120.249 121.223 -0.019 0.000 2.093 5235 L HA -0.187 4.153 4.340 0.000 0.000 0.208 5235 L C 1.982 178.837 176.870 -0.024 0.000 1.085 5235 L CA 0.911 55.730 54.840 -0.035 0.000 0.755 5235 L CB -0.526 41.508 42.059 -0.042 0.000 0.904 5235 L HN 0.232 nan 8.230 nan 0.000 0.435 5236 D N -0.567 119.827 120.400 -0.011 0.000 2.224 5236 D HA -0.133 4.507 4.640 0.000 0.000 0.205 5236 D C 2.016 178.315 176.300 -0.002 0.000 0.965 5236 D CA 0.805 54.802 54.000 -0.006 0.000 0.852 5236 D CB -0.030 40.770 40.800 -0.000 0.000 0.947 5236 D HN 0.262 nan 8.370 nan 0.000 0.494 5237 Q N 0.469 120.270 119.800 0.002 0.000 2.415 5237 Q HA -0.007 4.333 4.340 0.000 0.000 0.206 5237 Q C 0.046 176.050 176.000 0.005 0.000 0.946 5237 Q CA 0.010 55.817 55.803 0.007 0.000 0.951 5237 Q CB -0.159 28.588 28.738 0.015 0.000 1.026 5237 Q HN 0.176 nan 8.270 nan 0.000 0.510 5238 N N -0.338 118.360 118.700 -0.002 0.000 2.754 5238 N HA -0.155 4.585 4.740 0.000 0.000 0.248 5238 N C -1.366 174.149 175.510 0.008 0.000 1.093 5238 N CA 0.301 53.349 53.050 -0.002 0.000 0.699 5238 N CB -1.297 37.193 38.487 0.005 0.000 1.016 5238 N HN -0.028 nan 8.380 nan 0.000 0.552 5239 V N 2.114 122.028 119.914 0.001 0.000 2.385 5239 V HA 0.129 4.249 4.120 0.000 0.000 0.269 5239 V C 1.000 177.097 176.094 0.005 0.000 1.043 5239 V CA -0.799 61.509 62.300 0.014 0.000 0.906 5239 V CB 1.031 32.857 31.823 0.005 0.000 0.995 5239 V HN 0.348 nan 8.190 nan 0.000 0.467 5240 H N 8.245 127.299 119.070 -0.028 0.000 3.094 5240 H HA 0.016 4.573 4.556 0.000 0.000 0.320 5240 H C -1.667 173.633 175.328 -0.046 0.000 1.000 5240 H CA -1.053 54.977 56.048 -0.030 0.000 1.413 5240 H CB 1.574 31.321 29.762 -0.025 0.000 1.405 5240 H HN 0.385 nan 8.280 nan 0.000 0.586 5241 P HA -0.187 nan 4.420 nan 0.000 0.217 5241 P C 1.429 178.750 177.300 0.035 0.000 1.148 5241 P CA 2.564 65.597 63.100 -0.113 0.000 0.834 5241 P CB 0.025 31.619 31.700 -0.178 0.000 0.783 5242 T N -4.236 110.480 114.554 0.270 0.000 2.995 5242 T HA -0.034 4.316 4.350 0.000 0.000 0.269 5242 T C 1.702 176.436 174.700 0.056 0.000 1.091 5242 T CA 0.653 62.841 62.100 0.146 0.000 1.128 5242 T CB -0.754 68.187 68.868 0.122 0.000 0.891 5242 T HN -0.082 nan 8.240 nan 0.000 0.492 5243 I N 1.195 121.808 120.570 0.072 0.000 2.333 5243 I HA 0.010 4.180 4.170 0.000 0.000 0.246 5243 I C 2.657 178.748 176.117 -0.044 0.000 1.106 5243 I CA 0.502 61.810 61.300 0.014 0.000 1.411 5243 I CB -1.106 36.914 38.000 0.033 0.000 1.082 5243 I HN 0.175 nan 8.210 nan 0.000 0.420 5244 V N 1.547 121.400 119.914 -0.102 0.000 2.295 5244 V HA -0.219 3.901 4.120 0.000 0.000 0.246 5244 V C 2.731 178.570 176.094 -0.426 0.000 1.049 5244 V CA 1.992 64.115 62.300 -0.295 0.000 1.024 5244 V CB -0.801 30.827 31.823 -0.326 0.000 0.648 5244 V HN 0.414 nan 8.190 nan 0.000 0.447 5245 V N -0.892 118.887 119.914 -0.226 0.000 2.667 5245 V HA -0.105 4.015 4.120 0.000 0.000 0.252 5245 V C 2.360 178.436 176.094 -0.030 0.000 1.065 5245 V CA 2.114 64.340 62.300 -0.123 0.000 1.083 5245 V CB -0.684 31.108 31.823 -0.053 0.000 0.692 5245 V HN 0.493 nan 8.190 nan 0.000 0.468 5246 K N 2.233 122.617 120.400 -0.027 0.000 2.025 5246 K HA 0.098 4.418 4.320 0.000 0.000 0.207 5246 K C 2.136 178.754 176.600 0.029 0.000 1.049 5246 K CA 2.080 58.369 56.287 0.004 0.000 0.933 5246 K CB -1.325 31.174 32.500 -0.001 0.000 0.714 5246 K HN 0.435 nan 8.250 nan 0.000 0.438 5247 G N -0.748 108.077 108.800 0.041 0.000 2.422 5247 G HA2 -0.216 3.744 3.960 0.000 0.000 0.218 5247 G HA3 -0.216 3.744 3.960 0.000 0.000 0.218 5247 G C 1.170 176.173 174.900 0.172 0.000 1.146 5247 G CA 0.828 45.999 45.100 0.117 0.000 0.769 5247 G HN 0.290 nan 8.290 nan 0.000 0.547 5248 Y N 0.311 120.561 120.300 -0.083 0.000 2.314 5248 Y HA -0.014 4.536 4.550 0.000 0.000 0.293 5248 Y C 2.860 178.581 175.900 -0.298 0.000 1.129 5248 Y CA 0.897 58.876 58.100 -0.202 0.000 1.201 5248 Y CB -0.786 37.716 38.460 0.070 0.000 0.999 5248 Y HN 0.260 nan 8.280 nan 0.000 0.541 5249 Q N 0.384 120.205 119.800 0.035 0.000 2.079 5249 Q HA -0.056 4.284 4.340 0.000 0.000 0.200 5249 Q C 2.357 178.311 176.000 -0.077 0.000 0.974 5249 Q CA 1.755 57.549 55.803 -0.015 0.000 0.840 5249 Q CB -0.474 28.273 28.738 0.015 0.000 0.898 5249 Q HN 0.324 nan 8.270 nan 0.000 0.430 5250 A N 0.252 123.048 122.820 -0.041 0.000 1.873 5250 A HA -0.004 4.317 4.320 0.000 0.000 0.215 5250 A C 2.271 179.788 177.584 -0.111 0.000 1.186 5250 A CA 1.871 53.914 52.037 0.010 0.000 0.616 5250 A CB -1.143 17.941 19.000 0.141 0.000 0.823 5250 A HN 0.499 nan 8.150 nan 0.000 0.442 5251 A N -0.343 122.315 122.820 -0.270 0.000 1.930 5251 A HA 0.249 4.569 4.320 0.000 0.000 0.217 5251 A C 2.443 179.622 177.584 -0.676 0.000 1.175 5251 A CA 1.818 53.540 52.037 -0.526 0.000 0.627 5251 A CB -0.843 17.680 19.000 -0.795 0.000 0.815 5251 A HN 0.990 nan 8.150 nan 0.000 0.443 5252 A N -1.148 121.227 122.820 -0.742 0.000 1.930 5252 A HA -0.124 4.196 4.320 0.000 0.000 0.217 5252 A C 2.093 179.581 177.584 -0.160 0.000 1.175 5252 A CA 1.446 53.298 52.037 -0.309 0.000 0.627 5252 A CB -0.378 18.531 19.000 -0.152 0.000 0.815 5252 A HN 0.462 nan 8.150 nan 0.000 0.443 5253 Q N -0.296 119.398 119.800 -0.175 0.000 2.124 5253 Q HA -0.167 4.173 4.340 0.000 0.000 0.202 5253 Q C 2.003 177.902 176.000 -0.170 0.000 0.977 5253 Q CA 1.816 57.544 55.803 -0.126 0.000 0.850 5253 Q CB -0.301 28.382 28.738 -0.091 0.000 0.901 5253 Q HN 0.619 nan 8.270 nan 0.000 0.429 5254 K N 0.888 121.109 120.400 -0.298 0.000 2.103 5254 K HA 0.029 4.349 4.320 0.000 0.000 0.204 5254 K C 1.843 178.316 176.600 -0.211 0.000 1.052 5254 K CA 1.175 57.236 56.287 -0.376 0.000 0.945 5254 K CB -0.413 31.593 32.500 -0.823 0.000 0.722 5254 K HN 0.111 nan 8.250 nan 0.000 0.443 5255 A N 0.353 123.083 122.820 -0.150 0.000 1.933 5255 A HA -0.206 4.114 4.320 0.000 0.000 0.218 5255 A C 2.149 179.718 177.584 -0.025 0.000 1.175 5255 A CA 1.842 53.860 52.037 -0.033 0.000 0.628 5255 A CB -0.652 18.400 19.000 0.086 0.000 0.814 5255 A HN 0.456 nan 8.150 nan 0.000 0.444 5256 Q N 0.097 119.873 119.800 -0.040 0.000 2.084 5256 Q HA -0.183 4.157 4.340 0.000 0.000 0.202 5256 Q C 1.951 177.932 176.000 -0.032 0.000 0.978 5256 Q CA 2.250 58.037 55.803 -0.027 0.000 0.844 5256 Q CB -0.352 28.369 28.738 -0.028 0.000 0.898 5256 Q HN 0.763 nan 8.270 nan 0.000 0.426 5257 E N -0.591 119.578 120.200 -0.053 0.000 2.077 5257 E HA -0.170 4.180 4.350 0.000 0.000 0.193 5257 E C 1.902 178.482 176.600 -0.034 0.000 0.989 5257 E CA 1.114 57.486 56.400 -0.045 0.000 0.800 5257 E CB -0.150 29.511 29.700 -0.064 0.000 0.746 5257 E HN 0.452 nan 8.360 nan 0.000 0.452 5258 L N 0.583 121.781 121.223 -0.041 0.000 2.083 5258 L HA -0.188 4.152 4.340 0.000 0.000 0.209 5258 L C 2.546 179.414 176.870 -0.003 0.000 1.083 5258 L CA 0.706 55.535 54.840 -0.020 0.000 0.752 5258 L CB -0.298 41.748 42.059 -0.021 0.000 0.899 5258 L HN 0.258 nan 8.230 nan 0.000 0.433 5259 L N -0.389 120.831 121.223 -0.005 0.000 2.056 5259 L HA -0.202 4.138 4.340 0.000 0.000 0.207 5259 L C 2.527 179.399 176.870 0.002 0.000 1.078 5259 L CA 1.357 56.199 54.840 0.003 0.000 0.749 5259 L CB -0.389 41.672 42.059 0.002 0.000 0.901 5259 L HN 0.198 nan 8.230 nan 0.000 0.433 5260 K N -0.885 119.513 120.400 -0.003 0.000 2.362 5260 K HA -0.073 4.247 4.320 0.000 0.000 0.200 5260 K C 1.856 178.456 176.600 -0.001 0.000 1.046 5260 K CA 1.253 57.539 56.287 -0.002 0.000 0.952 5260 K CB -0.060 32.437 32.500 -0.006 0.000 0.753 5260 K HN 0.283 nan 8.250 nan 0.000 0.466 5261 T N 1.275 115.829 114.554 -0.000 0.000 3.035 5261 T HA 0.046 4.396 4.350 0.000 0.000 0.259 5261 T C 1.736 176.440 174.700 0.007 0.000 1.078 5261 T CA 0.570 62.671 62.100 0.002 0.000 1.132 5261 T CB 0.069 68.938 68.868 0.001 0.000 0.900 5261 T HN 0.348 nan 8.240 nan 0.000 0.480 5262 I N -0.860 119.717 120.570 0.012 0.000 3.968 5262 I HA 0.536 4.706 4.170 0.000 0.000 0.328 5262 I C 0.941 177.067 176.117 0.015 0.000 1.290 5262 I CA -0.673 60.638 61.300 0.018 0.000 1.163 5262 I CB -0.254 37.766 38.000 0.033 0.000 1.024 5262 I HN -0.095 nan 8.210 nan 0.000 0.413 5263 A N 1.596 124.423 122.820 0.011 0.000 2.546 5263 A HA 0.129 4.449 4.320 0.000 0.000 0.243 5263 A C 0.082 177.671 177.584 0.007 0.000 1.063 5263 A CA 0.032 52.074 52.037 0.009 0.000 0.757 5263 A CB -0.243 18.760 19.000 0.006 0.000 0.991 5263 A HN 0.640 nan 8.150 nan 0.000 0.503 5264 C N 3.664 122.969 119.300 0.008 0.000 2.255 5264 C HA 0.539 4.999 4.460 0.000 0.000 0.326 5264 C C 0.355 175.348 174.990 0.005 0.000 1.258 5264 C CA -0.641 58.381 59.018 0.006 0.000 1.676 5264 C CB -0.347 27.397 27.740 0.008 0.000 2.314 5264 C HN 0.941 nan 8.230 nan 0.000 0.509 5265 E N 3.680 123.882 120.200 0.004 0.000 2.351 5265 E HA 0.405 4.755 4.350 0.000 0.000 0.266 5265 E C -0.092 176.510 176.600 0.003 0.000 1.031 5265 E CA 0.229 56.631 56.400 0.003 0.000 0.911 5265 E CB 0.643 30.345 29.700 0.002 0.000 0.986 5265 E HN 0.712 nan 8.360 nan 0.000 0.446 5266 V N 1.474 121.390 119.914 0.003 0.000 3.102 5266 V HA 0.840 4.960 4.120 0.000 0.000 0.312 5266 V C 0.514 176.610 176.094 0.003 0.000 1.135 5266 V CA -0.793 61.509 62.300 0.003 0.000 1.022 5266 V CB 1.645 33.470 31.823 0.003 0.000 1.056 5266 V HN 0.672 nan 8.190 nan 0.000 0.436 5267 G N 0.418 109.220 108.800 0.002 0.000 2.343 5267 G HA2 0.464 4.424 3.960 0.000 0.000 0.254 5267 G HA3 0.464 4.424 3.960 0.000 0.000 0.254 5267 G C 0.994 175.896 174.900 0.003 0.000 1.277 5267 G CA 0.192 45.294 45.100 0.003 0.000 0.909 5267 G HN 1.670 nan 8.290 nan 0.000 0.502 5268 A N 2.140 124.962 122.820 0.003 0.000 1.940 5268 A HA -0.123 4.197 4.320 0.000 0.000 0.219 5268 A C 1.930 179.516 177.584 0.004 0.000 1.176 5268 A CA 1.854 53.894 52.037 0.004 0.000 0.631 5268 A CB -0.069 18.934 19.000 0.004 0.000 0.814 5268 A HN 0.641 nan 8.150 nan 0.000 0.446 5269 Q N -0.482 119.321 119.800 0.004 0.000 2.155 5269 Q HA 0.120 4.460 4.340 0.000 0.000 0.220 5269 Q C -0.829 175.173 176.000 0.003 0.000 0.819 5269 Q CA -0.267 55.538 55.803 0.004 0.000 1.032 5269 Q CB 0.182 28.923 28.738 0.006 0.000 1.151 5269 Q HN 0.579 nan 8.270 nan 0.000 0.487 5270 D N 1.012 121.414 120.400 0.003 0.000 2.412 5270 D HA -0.073 4.567 4.640 0.000 0.000 0.257 5270 D C 1.262 177.563 176.300 0.001 0.000 1.217 5270 D CA 0.223 54.224 54.000 0.002 0.000 0.897 5270 D CB 0.906 41.707 40.800 0.002 0.000 1.132 5270 D HN -0.030 nan 8.370 nan 0.000 0.493 5271 K N 3.486 123.887 120.400 0.001 0.000 2.032 5271 K HA -0.265 4.055 4.320 0.000 0.000 0.218 5271 K C 1.237 177.837 176.600 -0.001 0.000 1.054 5271 K CA 1.545 57.832 56.287 -0.000 0.000 0.941 5271 K CB -0.019 32.481 32.500 -0.000 0.000 0.720 5271 K HN 0.584 nan 8.250 nan 0.000 0.449 5272 E N 0.569 120.768 120.200 -0.002 0.000 2.023 5272 E HA -0.203 4.147 4.350 0.000 0.000 0.196 5272 E C 2.134 178.732 176.600 -0.003 0.000 1.003 5272 E CA 1.182 57.581 56.400 -0.003 0.000 0.809 5272 E CB -0.457 29.241 29.700 -0.003 0.000 0.755 5272 E HN 0.324 nan 8.360 nan 0.000 0.449 5273 I N 0.726 121.296 120.570 -0.001 0.000 2.493 5273 I HA -0.211 3.959 4.170 0.000 0.000 0.254 5273 I C 2.086 178.203 176.117 0.000 0.000 1.160 5273 I CA 0.636 61.936 61.300 -0.000 0.000 1.445 5273 I CB -0.094 37.907 38.000 0.001 0.000 1.086 5273 I HN 0.014 nan 8.210 nan 0.000 0.433 5274 L N -0.154 121.069 121.223 0.000 0.000 2.093 5274 L HA -0.161 4.179 4.340 0.000 0.000 0.208 5274 L C 2.468 179.338 176.870 -0.001 0.000 1.085 5274 L CA 1.925 56.765 54.840 0.000 0.000 0.755 5274 L CB -1.359 40.700 42.059 0.000 0.000 0.904 5274 L HN 0.201 nan 8.230 nan 0.000 0.435 5275 T N -1.436 113.117 114.554 -0.002 0.000 2.867 5275 T HA -0.153 4.197 4.350 0.000 0.000 0.268 5275 T C 1.957 176.654 174.700 -0.005 0.000 1.057 5275 T CA 1.026 63.123 62.100 -0.004 0.000 1.136 5275 T CB 0.036 68.900 68.868 -0.006 0.000 0.874 5275 T HN 0.059 nan 8.240 nan 0.000 0.466 5276 K N 0.776 121.173 120.400 -0.004 0.000 2.103 5276 K HA 0.157 4.477 4.320 0.000 0.000 0.204 5276 K C 2.032 178.633 176.600 0.001 0.000 1.052 5276 K CA 0.532 56.817 56.287 -0.004 0.000 0.945 5276 K CB -0.335 32.164 32.500 -0.003 0.000 0.722 5276 K HN 0.201 nan 8.250 nan 0.000 0.443 5277 I N 0.741 121.313 120.570 0.003 0.000 2.142 5277 I HA -0.206 3.965 4.170 0.000 0.000 0.240 5277 I C 2.161 178.282 176.117 0.006 0.000 1.078 5277 I CA 1.502 62.806 61.300 0.006 0.000 1.343 5277 I CB -1.359 36.644 38.000 0.005 0.000 1.046 5277 I HN 0.082 nan 8.210 nan 0.000 0.405 5278 A N 0.637 123.460 122.820 0.004 0.000 1.908 5278 A HA -0.281 4.039 4.320 0.000 0.000 0.218 5278 A C 2.471 180.058 177.584 0.005 0.000 1.181 5278 A CA 2.203 54.242 52.037 0.004 0.000 0.627 5278 A CB -0.731 18.270 19.000 0.001 0.000 0.818 5278 A HN 0.480 nan 8.150 nan 0.000 0.445 5279 M N 0.307 119.908 119.600 0.002 0.000 2.086 5279 M HA -0.169 4.311 4.480 0.000 0.000 0.261 5279 M C 2.267 178.573 176.300 0.010 0.000 1.067 5279 M CA 2.553 57.852 55.300 -0.001 0.000 1.116 5279 M CB -0.504 32.089 32.600 -0.013 0.000 1.348 5279 M HN 0.600 nan 8.290 nan 0.000 0.407 5280 T N -2.458 112.105 114.554 0.015 0.000 2.867 5280 T HA -0.092 4.258 4.350 0.000 0.000 0.268 5280 T C 1.979 176.701 174.700 0.038 0.000 1.057 5280 T CA 1.588 63.708 62.100 0.033 0.000 1.136 5280 T CB -0.686 68.201 68.868 0.032 0.000 0.874 5280 T HN 0.486 nan 8.240 nan 0.000 0.466 5281 S N 1.163 116.878 115.700 0.025 0.000 2.355 5281 S HA -0.005 4.465 4.470 0.000 0.000 0.222 5281 S C 2.031 176.647 174.600 0.026 0.000 1.031 5281 S CA 0.934 59.147 58.200 0.022 0.000 0.993 5281 S CB -0.670 62.539 63.200 0.014 0.000 0.859 5281 S HN 0.585 nan 8.310 nan 0.000 0.453 5282 I N 1.715 122.300 120.570 0.024 0.000 2.264 5282 I HA -0.116 4.054 4.170 0.000 0.000 0.248 5282 I C 1.356 177.497 176.117 0.041 0.000 1.111 5282 I CA 1.018 62.333 61.300 0.026 0.000 1.382 5282 I CB -0.964 37.047 38.000 0.018 0.000 1.060 5282 I HN 0.452 nan 8.210 nan 0.000 0.418 5283 T N -0.764 113.826 114.554 0.059 0.000 2.900 5283 T HA 0.366 4.716 4.350 0.000 0.000 0.307 5283 T C 1.143 175.904 174.700 0.102 0.000 1.065 5283 T CA 0.056 62.220 62.100 0.106 0.000 1.105 5283 T CB 1.378 70.346 68.868 0.168 0.000 0.979 5283 T HN 0.599 nan 8.240 nan 0.000 0.544 5284 G N 1.403 110.274 108.800 0.117 0.000 2.176 5284 G HA2 -0.205 3.755 3.960 0.000 0.000 0.253 5284 G HA3 -0.205 3.755 3.960 0.000 0.000 0.253 5284 G C -0.040 174.882 174.900 0.036 0.000 0.979 5284 G CA 0.408 45.543 45.100 0.059 0.000 0.641 5284 G HN 0.935 nan 8.290 nan 0.000 0.530 5285 K N -0.905 119.521 120.400 0.044 0.000 2.352 5285 K HA 0.609 4.929 4.320 0.000 0.000 0.240 5285 K C 1.541 178.161 176.600 0.034 0.000 1.017 5285 K CA -0.539 55.766 56.287 0.030 0.000 0.851 5285 K CB 1.283 33.799 32.500 0.026 0.000 1.261 5285 K HN 0.169 nan 8.250 nan 0.000 0.451 5286 G N 0.394 109.210 108.800 0.027 0.000 2.448 5286 G HA2 -0.252 3.708 3.960 0.000 0.000 0.219 5286 G HA3 -0.252 3.708 3.960 0.000 0.000 0.219 5286 G C 1.265 176.182 174.900 0.028 0.000 1.127 5286 G CA 1.111 46.228 45.100 0.027 0.000 0.766 5286 G HN 0.614 nan 8.290 nan 0.000 0.552 5287 A N 1.531 124.367 122.820 0.026 0.000 2.121 5287 A HA 0.004 4.325 4.320 0.000 0.000 0.218 5287 A C 2.135 179.733 177.584 0.023 0.000 1.154 5287 A CA 1.670 53.721 52.037 0.023 0.000 0.679 5287 A CB -0.386 18.627 19.000 0.021 0.000 0.795 5287 A HN 0.656 nan 8.150 nan 0.000 0.458 5288 E N 0.528 120.746 120.200 0.031 0.000 2.401 5288 E HA -0.216 4.134 4.350 0.000 0.000 0.199 5288 E C 1.457 178.069 176.600 0.020 0.000 1.023 5288 E CA 1.228 57.647 56.400 0.031 0.000 0.859 5288 E CB -0.317 29.418 29.700 0.059 0.000 0.780 5288 E HN 0.612 nan 8.360 nan 0.000 0.523 5289 K N 0.492 120.904 120.400 0.021 0.000 2.147 5289 K HA -0.063 4.257 4.320 0.000 0.000 0.205 5289 K C 1.388 177.992 176.600 0.006 0.000 1.049 5289 K CA 1.290 57.586 56.287 0.014 0.000 0.936 5289 K CB 0.055 32.565 32.500 0.017 0.000 0.722 5289 K HN 0.229 nan 8.250 nan 0.000 0.446 5290 A N 1.269 124.093 122.820 0.006 0.000 2.676 5290 A HA 0.079 4.399 4.320 0.000 0.000 0.297 5290 A C 1.173 178.757 177.584 -0.000 0.000 1.132 5290 A CA -0.489 51.550 52.037 0.002 0.000 0.972 5290 A CB -0.097 18.906 19.000 0.006 0.000 1.197 5290 A HN 0.253 nan 8.150 nan 0.000 0.524 5291 K N 0.116 120.515 120.400 -0.002 0.000 2.286 5291 K HA -0.223 4.097 4.320 0.000 0.000 0.203 5291 K C 0.841 177.435 176.600 -0.009 0.000 1.045 5291 K CA 1.969 58.254 56.287 -0.004 0.000 0.935 5291 K CB -0.110 32.385 32.500 -0.009 0.000 0.737 5291 K HN 0.348 nan 8.250 nan 0.000 0.460 5292 E N 1.436 121.628 120.200 -0.013 0.000 2.046 5292 E HA -0.136 4.214 4.350 0.000 0.000 0.190 5292 E C 1.929 178.525 176.600 -0.007 0.000 0.982 5292 E CA 1.343 57.736 56.400 -0.013 0.000 0.800 5292 E CB -0.048 29.642 29.700 -0.016 0.000 0.756 5292 E HN 0.305 nan 8.360 nan 0.000 0.449 5293 K N 0.279 120.677 120.400 -0.004 0.000 2.057 5293 K HA -0.072 4.248 4.320 0.000 0.000 0.206 5293 K C 1.667 178.267 176.600 0.001 0.000 1.050 5293 K CA 0.794 57.081 56.287 -0.001 0.000 0.935 5293 K CB -0.228 32.273 32.500 0.002 0.000 0.715 5293 K HN -0.014 nan 8.250 nan 0.000 0.439 5294 L N 0.679 121.903 121.223 0.002 0.000 2.083 5294 L HA -0.001 4.339 4.340 0.000 0.000 0.209 5294 L C 2.301 179.172 176.870 0.002 0.000 1.083 5294 L CA 1.933 56.775 54.840 0.004 0.000 0.752 5294 L CB -1.150 40.912 42.059 0.006 0.000 0.899 5294 L HN 0.293 nan 8.230 nan 0.000 0.433 5295 A N -0.820 122.000 122.820 -0.000 0.000 1.902 5295 A HA -0.252 4.068 4.320 0.000 0.000 0.217 5295 A C 2.360 179.943 177.584 -0.002 0.000 1.181 5295 A CA 1.716 53.752 52.037 -0.002 0.000 0.623 5295 A CB -0.563 18.434 19.000 -0.004 0.000 0.818 5295 A HN 0.493 nan 8.150 nan 0.000 0.443 5296 E N -0.132 120.067 120.200 -0.002 0.000 2.077 5296 E HA -0.183 4.167 4.350 0.000 0.000 0.193 5296 E C 1.865 178.465 176.600 -0.000 0.000 0.989 5296 E CA 1.347 57.747 56.400 -0.001 0.000 0.800 5296 E CB -0.245 29.454 29.700 -0.001 0.000 0.746 5296 E HN 0.665 nan 8.360 nan 0.000 0.452 5297 I N 0.952 121.523 120.570 0.001 0.000 2.226 5297 I HA -0.271 3.899 4.170 0.000 0.000 0.245 5297 I C 2.223 178.340 176.117 -0.000 0.000 1.100 5297 I CA 0.642 61.943 61.300 0.002 0.000 1.374 5297 I CB -0.172 37.831 38.000 0.005 0.000 1.057 5297 I HN 0.259 nan 8.210 nan 0.000 0.413 5298 I N 0.525 121.094 120.570 -0.001 0.000 2.353 5298 I HA -0.141 4.029 4.170 0.000 0.000 0.248 5298 I C 2.681 178.795 176.117 -0.004 0.000 1.119 5298 I CA 1.419 62.717 61.300 -0.003 0.000 1.417 5298 I CB -1.017 36.982 38.000 -0.001 0.000 1.078 5298 I HN 0.199 nan 8.210 nan 0.000 0.421 5299 V N -1.106 118.807 119.914 -0.003 0.000 2.809 5299 V HA -0.120 4.000 4.120 0.000 0.000 0.256 5299 V C 2.179 178.271 176.094 -0.004 0.000 1.080 5299 V CA 1.583 63.881 62.300 -0.003 0.000 1.102 5299 V CB -0.820 31.002 31.823 -0.002 0.000 0.705 5299 V HN 0.433 nan 8.190 nan 0.000 0.475 5300 E N 1.080 121.277 120.200 -0.004 0.000 2.076 5300 E HA -0.039 4.311 4.350 0.000 0.000 0.190 5300 E C 2.206 178.800 176.600 -0.011 0.000 0.979 5300 E CA 1.121 57.518 56.400 -0.005 0.000 0.807 5300 E CB -0.242 29.456 29.700 -0.003 0.000 0.761 5300 E HN 0.642 nan 8.360 nan 0.000 0.454 5301 A N 0.741 123.554 122.820 -0.012 0.000 1.858 5301 A HA -0.139 4.181 4.320 0.000 0.000 0.216 5301 A C 2.388 179.959 177.584 -0.022 0.000 1.190 5301 A CA 1.607 53.634 52.037 -0.018 0.000 0.617 5301 A CB -0.781 18.210 19.000 -0.015 0.000 0.827 5301 A HN 0.226 nan 8.150 nan 0.000 0.443 5302 V N -0.280 119.625 119.914 -0.015 0.000 2.515 5302 V HA -0.169 3.951 4.120 0.000 0.000 0.250 5302 V C 2.763 178.849 176.094 -0.013 0.000 1.058 5302 V CA 2.154 64.446 62.300 -0.014 0.000 1.064 5302 V CB -0.592 31.226 31.823 -0.009 0.000 0.675 5302 V HN 0.671 nan 8.190 nan 0.000 0.461 5303 S N -0.012 115.681 115.700 -0.011 0.000 2.383 5303 S HA -0.119 4.351 4.470 0.000 0.000 0.227 5303 S C 2.108 176.699 174.600 -0.015 0.000 1.026 5303 S CA 1.458 59.653 58.200 -0.008 0.000 0.981 5303 S CB -0.186 63.012 63.200 -0.003 0.000 0.818 5303 S HN 0.597 nan 8.310 nan 0.000 0.472 5304 A N 1.067 123.868 122.820 -0.031 0.000 1.873 5304 A HA 0.025 4.345 4.320 0.000 0.000 0.215 5304 A C 2.374 179.903 177.584 -0.091 0.000 1.186 5304 A CA 1.758 53.757 52.037 -0.063 0.000 0.616 5304 A CB -0.984 17.975 19.000 -0.068 0.000 0.823 5304 A HN 0.941 nan 8.150 nan 0.000 0.442 5305 V N -3.063 116.812 119.914 -0.065 0.000 2.788 5305 V HA -0.008 4.112 4.120 0.000 0.000 0.251 5305 V C 2.093 178.166 176.094 -0.035 0.000 1.068 5305 V CA 1.485 63.747 62.300 -0.063 0.000 1.090 5305 V CB -0.547 31.247 31.823 -0.048 0.000 0.710 5305 V HN 0.205 nan 8.190 nan 0.000 0.467 5306 V N 0.497 120.400 119.914 -0.019 0.000 2.515 5306 V HA -0.092 4.028 4.120 0.000 0.000 0.250 5306 V C 1.609 177.712 176.094 0.015 0.000 1.058 5306 V CA 2.401 64.700 62.300 -0.002 0.000 1.064 5306 V CB -0.533 31.291 31.823 0.001 0.000 0.675 5306 V HN 0.869 nan 8.190 nan 0.000 0.461 5307 D N -0.757 119.657 120.400 0.024 0.000 4.344 5307 D HA -0.223 4.417 4.640 0.000 0.000 0.144 5307 D C 0.552 176.885 176.300 0.056 0.000 0.730 5307 D CA 1.934 55.977 54.000 0.073 0.000 1.156 5307 D CB -1.243 39.623 40.800 0.109 0.000 0.570 5307 D HN 0.565 nan 8.370 nan 0.000 0.533 5308 D N 1.635 122.063 120.400 0.047 0.000 2.398 5308 D HA 0.235 4.876 4.640 0.000 0.000 0.247 5308 D C -0.236 176.076 176.300 0.020 0.000 1.227 5308 D CA 0.169 54.187 54.000 0.030 0.000 0.980 5308 D CB 0.609 41.424 40.800 0.024 0.000 1.106 5308 D HN 0.261 nan 8.370 nan 0.000 0.493 5309 E N 0.029 120.238 120.200 0.015 0.000 2.079 5309 E HA 0.518 4.868 4.350 0.000 0.000 0.252 5309 E C -0.702 175.903 176.600 0.009 0.000 0.992 5309 E CA -0.509 55.898 56.400 0.011 0.000 0.829 5309 E CB -0.344 29.361 29.700 0.009 0.000 1.158 5309 E HN 0.515 nan 8.360 nan 0.000 0.435 5310 G N 2.744 111.549 108.800 0.008 0.000 2.358 5310 G HA2 0.173 4.133 3.960 0.000 0.000 0.303 5310 G HA3 0.173 4.133 3.960 0.000 0.000 0.303 5310 G C -1.867 173.037 174.900 0.007 0.000 1.537 5310 G CA -0.844 44.261 45.100 0.009 0.000 0.928 5310 G HN 0.194 nan 8.290 nan 0.000 0.656 5311 K N 0.434 120.838 120.400 0.006 0.000 2.561 5311 K HA 0.577 4.897 4.320 0.000 0.000 0.254 5311 K C -1.425 175.176 176.600 0.002 0.000 0.942 5311 K CA -0.538 55.751 56.287 0.004 0.000 0.818 5311 K CB 2.306 34.809 32.500 0.004 0.000 1.306 5311 K HN 0.601 nan 8.250 nan 0.000 0.435 5312 V N 2.931 122.845 119.914 -0.000 0.000 2.459 5312 V HA 0.346 4.466 4.120 0.000 0.000 0.295 5312 V C -0.538 175.553 176.094 -0.005 0.000 1.029 5312 V CA -0.725 61.573 62.300 -0.003 0.000 0.874 5312 V CB 1.676 33.497 31.823 -0.004 0.000 0.985 5312 V HN 0.673 nan 8.190 nan 0.000 0.438 5313 D N 3.312 123.707 120.400 -0.008 0.000 2.471 5313 D HA 0.240 4.880 4.640 0.000 0.000 0.245 5313 D C 0.778 177.070 176.300 -0.013 0.000 1.116 5313 D CA -0.554 53.441 54.000 -0.009 0.000 0.853 5313 D CB 1.816 42.610 40.800 -0.009 0.000 1.123 5313 D HN 0.523 nan 8.370 nan 0.000 0.540 5314 K N 2.733 123.126 120.400 -0.012 0.000 2.218 5314 K HA -0.236 4.084 4.320 0.000 0.000 0.205 5314 K C 0.921 177.511 176.600 -0.018 0.000 1.046 5314 K CA 1.401 57.679 56.287 -0.014 0.000 0.933 5314 K CB 0.162 32.656 32.500 -0.011 0.000 0.728 5314 K HN 0.349 nan 8.250 nan 0.000 0.454 5315 D N 0.261 120.650 120.400 -0.018 0.000 2.309 5315 D HA -0.127 4.513 4.640 0.000 0.000 0.212 5315 D C 1.484 177.766 176.300 -0.029 0.000 0.968 5315 D CA 0.778 54.765 54.000 -0.023 0.000 0.882 5315 D CB 0.115 40.903 40.800 -0.020 0.000 0.918 5315 D HN 0.282 nan 8.370 nan 0.000 0.503 5316 L N -0.355 120.851 121.223 -0.028 0.000 2.492 5316 L HA 0.171 4.511 4.340 0.000 0.000 0.223 5316 L C 0.410 177.257 176.870 -0.039 0.000 1.132 5316 L CA 0.204 55.023 54.840 -0.035 0.000 0.850 5316 L CB 0.152 42.191 42.059 -0.032 0.000 0.966 5316 L HN 0.016 nan 8.230 nan 0.000 0.454 5317 I N 0.629 121.179 120.570 -0.034 0.000 2.420 5317 I HA 0.180 4.350 4.170 0.000 0.000 0.282 5317 I C 0.023 176.119 176.117 -0.035 0.000 1.019 5317 I CA -0.394 60.885 61.300 -0.034 0.000 1.130 5317 I CB 1.630 39.614 38.000 -0.026 0.000 1.262 5317 I HN -0.040 nan 8.210 nan 0.000 0.454 5318 K N 6.766 127.140 120.400 -0.044 0.000 2.249 5318 K HA 0.405 4.726 4.320 0.000 0.000 0.280 5318 K C -0.635 175.940 176.600 -0.041 0.000 1.033 5318 K CA -0.479 55.779 56.287 -0.047 0.000 0.946 5318 K CB 0.905 33.366 32.500 -0.065 0.000 1.005 5318 K HN 0.459 nan 8.250 nan 0.000 0.469 5319 I N 4.257 124.806 120.570 -0.035 0.000 2.347 5319 I HA 0.184 4.354 4.170 0.000 0.000 0.283 5319 I C -0.217 175.881 176.117 -0.032 0.000 1.058 5319 I CA -0.550 60.733 61.300 -0.027 0.000 1.202 5319 I CB 0.425 38.414 38.000 -0.018 0.000 1.386 5319 I HN 0.668 nan 8.210 nan 0.000 0.475 5320 E N 6.776 126.953 120.200 -0.037 0.000 2.204 5320 E HA 0.589 4.939 4.350 0.000 0.000 0.276 5320 E C -0.783 175.802 176.600 -0.025 0.000 0.974 5320 E CA -0.633 55.742 56.400 -0.043 0.000 0.815 5320 E CB 1.395 31.051 29.700 -0.073 0.000 1.119 5320 E HN 0.544 nan 8.360 nan 0.000 0.393 5321 K N 1.925 122.312 120.400 -0.022 0.000 2.468 5321 K HA 0.697 5.018 4.320 0.000 0.000 0.252 5321 K C -1.250 175.345 176.600 -0.008 0.000 0.932 5321 K CA -1.183 55.098 56.287 -0.010 0.000 0.794 5321 K CB 1.843 34.337 32.500 -0.009 0.000 1.241 5321 K HN 0.189 nan 8.250 nan 0.000 0.428 5322 K N 1.599 122.001 120.400 0.004 0.000 2.588 5322 K HA 0.191 4.511 4.320 0.000 0.000 0.250 5322 K C -0.999 175.608 176.600 0.012 0.000 0.972 5322 K CA -0.341 55.951 56.287 0.009 0.000 0.821 5322 K CB 1.911 34.426 32.500 0.025 0.000 1.249 5322 K HN 0.853 nan 8.250 nan 0.000 0.442 5323 S N 2.002 117.702 115.700 0.001 0.000 2.580 5323 S HA 0.685 5.155 4.470 0.000 0.000 0.266 5323 S C 0.531 175.138 174.600 0.011 0.000 1.354 5323 S CA 0.501 58.702 58.200 0.001 0.000 1.008 5323 S CB 0.512 63.705 63.200 -0.011 0.000 0.898 5323 S HN 1.385 nan 8.310 nan 0.000 0.555 5324 G N -0.065 108.742 108.800 0.011 0.000 2.484 5324 G HA2 0.483 4.443 3.960 0.000 0.000 0.685 5324 G HA3 0.483 4.443 3.960 0.000 0.000 0.685 5324 G C -0.060 174.850 174.900 0.015 0.000 1.294 5324 G CA -0.008 45.100 45.100 0.013 0.000 0.879 5324 G HN 2.454 nan 8.290 nan 0.000 0.646 5325 A N -0.710 122.118 122.820 0.013 0.000 5.953 5325 A HA 0.384 4.704 4.320 0.000 0.000 0.267 5325 A C 1.164 178.755 177.584 0.012 0.000 2.116 5325 A CA 1.984 54.028 52.037 0.012 0.000 0.711 5325 A CB -1.623 17.386 19.000 0.014 0.000 1.100 5325 A HN 2.726 nan 8.150 nan 0.000 0.364 5326 S N -2.592 113.116 115.700 0.013 0.000 2.810 5326 S HA 0.750 5.220 4.470 0.000 0.000 0.315 5326 S C 1.302 175.911 174.600 0.014 0.000 1.138 5326 S CA 0.011 58.218 58.200 0.013 0.000 0.889 5326 S CB 0.920 64.127 63.200 0.011 0.000 1.236 5326 S HN 0.966 nan 8.310 nan 0.000 0.548 5327 I N 1.195 121.773 120.570 0.014 0.000 2.315 5327 I HA -0.092 4.078 4.170 0.000 0.000 0.248 5327 I C 1.931 178.055 176.117 0.013 0.000 1.117 5327 I CA 1.392 62.701 61.300 0.015 0.000 1.404 5327 I CB -0.302 37.708 38.000 0.015 0.000 1.071 5327 I HN 0.694 nan 8.210 nan 0.000 0.419 5328 D N 1.016 121.423 120.400 0.011 0.000 2.218 5328 D HA -0.210 4.430 4.640 0.000 0.000 0.204 5328 D C 1.593 177.898 176.300 0.010 0.000 0.976 5328 D CA 1.140 55.145 54.000 0.008 0.000 0.853 5328 D CB -0.016 40.788 40.800 0.005 0.000 0.939 5328 D HN 0.248 nan 8.370 nan 0.000 0.481 5329 D N -0.433 119.974 120.400 0.012 0.000 2.347 5329 D HA -0.038 4.603 4.640 0.000 0.000 0.215 5329 D C 0.239 176.552 176.300 0.022 0.000 0.976 5329 D CA 0.391 54.400 54.000 0.014 0.000 0.884 5329 D CB -0.189 40.619 40.800 0.014 0.000 0.915 5329 D HN 0.162 nan 8.370 nan 0.000 0.526 5330 T N 1.514 116.081 114.554 0.022 0.000 2.933 5330 T HA 0.085 4.435 4.350 0.000 0.000 0.306 5330 T C 0.303 175.019 174.700 0.027 0.000 1.045 5330 T CA 0.689 62.805 62.100 0.026 0.000 1.143 5330 T CB 0.965 69.844 68.868 0.019 0.000 1.003 5330 T HN 0.033 nan 8.240 nan 0.000 0.540 5331 E N 1.628 121.849 120.200 0.037 0.000 2.372 5331 E HA 0.527 4.877 4.350 0.000 0.000 0.279 5331 E C -1.890 174.737 176.600 0.045 0.000 0.946 5331 E CA -0.830 55.593 56.400 0.039 0.000 0.769 5331 E CB 1.088 30.815 29.700 0.046 0.000 1.230 5331 E HN 0.367 nan 8.360 nan 0.000 0.442 5332 L N 3.901 125.145 121.223 0.035 0.000 2.289 5332 L HA 0.622 4.962 4.340 0.000 0.000 0.285 5332 L C -1.248 175.648 176.870 0.043 0.000 1.049 5332 L CA -0.247 54.610 54.840 0.028 0.000 0.804 5332 L CB 0.842 42.909 42.059 0.012 0.000 1.195 5332 L HN 0.596 nan 8.230 nan 0.000 0.428 5333 I N 4.753 125.350 120.570 0.045 0.000 2.354 5333 I HA 0.300 4.470 4.170 0.000 0.000 0.286 5333 I C -0.106 176.027 176.117 0.026 0.000 1.007 5333 I CA -0.442 60.896 61.300 0.065 0.000 1.167 5333 I CB 1.197 39.265 38.000 0.114 0.000 1.320 5333 I HN 0.425 nan 8.210 nan 0.000 0.458 5334 K N 5.266 125.680 120.400 0.023 0.000 2.199 5334 K HA 0.551 4.871 4.320 0.000 0.000 0.226 5334 K C 0.512 177.112 176.600 -0.001 0.000 1.237 5334 K CA -0.078 56.209 56.287 -0.001 0.000 1.170 5334 K CB -0.284 32.214 32.500 -0.003 0.000 1.418 5334 K HN 0.869 nan 8.250 nan 0.000 0.255 5335 G N -1.374 107.419 108.800 -0.012 0.000 2.512 5335 G HA2 0.166 4.126 3.960 0.000 0.000 0.181 5335 G HA3 0.166 4.126 3.960 0.000 0.000 0.181 5335 G C -1.623 173.248 174.900 -0.048 0.000 1.173 5335 G CA -0.739 44.348 45.100 -0.021 0.000 0.988 5335 G HN 0.043 nan 8.290 nan 0.000 0.485 5336 V N 0.834 120.710 119.914 -0.064 0.000 2.487 5336 V HA 0.694 4.814 4.120 0.000 0.000 0.298 5336 V C -0.903 175.102 176.094 -0.148 0.000 1.028 5336 V CA -0.592 61.637 62.300 -0.119 0.000 0.860 5336 V CB 1.450 33.170 31.823 -0.171 0.000 0.991 5336 V HN 0.889 nan 8.190 nan 0.000 0.427 5337 L N 7.607 128.706 121.223 -0.207 0.000 2.298 5337 L HA 0.842 5.182 4.340 0.000 0.000 0.284 5337 L C -0.384 176.328 176.870 -0.263 0.000 1.013 5337 L CA -0.178 54.450 54.840 -0.354 0.000 0.824 5337 L CB 1.648 43.391 42.059 -0.528 0.000 1.221 5337 L HN 0.582 nan 8.230 nan 0.000 0.418 5338 V N 1.584 121.365 119.914 -0.222 0.000 2.769 5338 V HA 0.634 4.754 4.120 0.000 0.000 0.312 5338 V C -0.369 175.667 176.094 -0.096 0.000 1.061 5338 V CA -0.523 61.701 62.300 -0.128 0.000 0.931 5338 V CB 1.820 33.602 31.823 -0.068 0.000 1.010 5338 V HN 0.812 nan 8.190 nan 0.000 0.433 5339 D N 1.001 121.365 120.400 -0.061 0.000 3.134 5339 D HA 0.327 4.967 4.640 0.000 0.000 0.248 5339 D C -0.115 176.188 176.300 0.005 0.000 1.273 5339 D CA -0.218 53.763 54.000 -0.032 0.000 0.904 5339 D CB 0.216 40.998 40.800 -0.030 0.000 1.089 5339 D HN 0.547 nan 8.370 nan 0.000 0.478 5340 K N 0.237 120.655 120.400 0.029 0.000 2.352 5340 K HA 0.558 4.878 4.320 0.000 0.000 0.240 5340 K C 0.002 176.635 176.600 0.055 0.000 1.017 5340 K CA -0.865 55.455 56.287 0.055 0.000 0.851 5340 K CB 1.942 34.504 32.500 0.102 0.000 1.261 5340 K HN 0.294 nan 8.250 nan 0.000 0.451 5341 E N -0.156 120.069 120.200 0.042 0.000 2.416 5341 E HA 0.455 4.805 4.350 0.000 0.000 0.273 5341 E C -0.965 175.638 176.600 0.005 0.000 0.935 5341 E CA -1.091 55.326 56.400 0.029 0.000 0.784 5341 E CB 1.447 31.162 29.700 0.024 0.000 1.301 5341 E HN 0.281 nan 8.360 nan 0.000 0.454 5342 R N 0.922 121.418 120.500 -0.006 0.000 2.401 5342 R HA 0.075 4.415 4.340 0.000 0.000 0.299 5342 R C 1.338 177.625 176.300 -0.023 0.000 1.064 5342 R CA 0.252 56.332 56.100 -0.032 0.000 1.000 5342 R CB 0.878 31.159 30.300 -0.031 0.000 0.973 5342 R HN 0.577 nan 8.270 nan 0.000 0.438 5343 V N -0.139 119.757 119.914 -0.030 0.000 2.867 5343 V HA -0.115 4.005 4.120 0.000 0.000 0.260 5343 V C 0.772 176.859 176.094 -0.012 0.000 1.099 5343 V CA 1.226 63.516 62.300 -0.017 0.000 1.122 5343 V CB -0.152 31.660 31.823 -0.018 0.000 0.708 5343 V HN 0.560 nan 8.190 nan 0.000 0.490 5344 S N -1.011 114.678 115.700 -0.018 0.000 2.521 5344 S HA 0.774 5.244 4.470 0.000 0.000 0.295 5344 S C 0.874 175.466 174.600 -0.014 0.000 1.098 5344 S CA -0.127 58.065 58.200 -0.013 0.000 0.999 5344 S CB 1.858 65.047 63.200 -0.017 0.000 1.034 5344 S HN 0.724 nan 8.310 nan 0.000 0.483 5345 A N 3.019 125.835 122.820 -0.007 0.000 2.070 5345 A HA -0.077 4.243 4.320 0.000 0.000 0.220 5345 A C 1.873 179.451 177.584 -0.011 0.000 1.159 5345 A CA 1.885 53.918 52.037 -0.006 0.000 0.656 5345 A CB -0.674 18.326 19.000 -0.001 0.000 0.800 5345 A HN 0.809 nan 8.150 nan 0.000 0.453 5346 Q N -0.530 119.260 119.800 -0.017 0.000 2.378 5346 Q HA 0.132 4.472 4.340 0.000 0.000 0.205 5346 Q C 0.711 176.688 176.000 -0.037 0.000 0.954 5346 Q CA 0.413 56.199 55.803 -0.028 0.000 0.901 5346 Q CB -0.457 28.255 28.738 -0.045 0.000 0.981 5346 Q HN 0.679 nan 8.270 nan 0.000 0.483 5347 M N 2.251 121.829 119.600 -0.037 0.000 2.245 5347 M HA 0.194 4.674 4.480 0.000 0.000 0.344 5347 M C -1.920 174.363 176.300 -0.029 0.000 1.170 5347 M CA -1.737 53.539 55.300 -0.040 0.000 1.135 5347 M CB 0.389 32.962 32.600 -0.044 0.000 1.574 5347 M HN -0.054 nan 8.290 nan 0.000 0.452 5348 P HA -0.021 nan 4.420 nan 0.000 0.265 5348 P C -0.237 177.055 177.300 -0.013 0.000 1.187 5348 P CA 0.245 63.334 63.100 -0.018 0.000 0.766 5348 P CB 0.467 32.157 31.700 -0.017 0.000 0.820 5349 K N 2.256 122.653 120.400 -0.006 0.000 2.426 5349 K HA 0.008 4.328 4.320 0.000 0.000 0.193 5349 K C 0.148 176.754 176.600 0.010 0.000 1.028 5349 K CA 0.480 56.768 56.287 0.002 0.000 1.047 5349 K CB 0.094 32.595 32.500 0.002 0.000 0.821 5349 K HN 0.448 nan 8.250 nan 0.000 0.513 5350 K N -0.716 119.688 120.400 0.006 0.000 2.561 5350 K HA 0.263 4.583 4.320 0.000 0.000 0.254 5350 K C -1.540 175.065 176.600 0.009 0.000 0.942 5350 K CA -0.942 55.352 56.287 0.012 0.000 0.818 5350 K CB 2.047 34.551 32.500 0.007 0.000 1.306 5350 K HN -0.218 nan 8.250 nan 0.000 0.435 5351 V N 2.206 122.130 119.914 0.017 0.000 2.531 5351 V HA 0.438 4.558 4.120 0.000 0.000 0.301 5351 V C -0.156 175.951 176.094 0.023 0.000 1.034 5351 V CA -0.528 61.781 62.300 0.014 0.000 0.865 5351 V CB 1.812 33.640 31.823 0.009 0.000 0.995 5351 V HN 0.997 nan 8.190 nan 0.000 0.424 5352 T N 0.014 114.578 114.554 0.017 0.000 2.929 5352 T HA 0.534 4.884 4.350 0.000 0.000 0.284 5352 T C 0.178 174.891 174.700 0.021 0.000 1.014 5352 T CA -0.218 61.894 62.100 0.020 0.000 1.051 5352 T CB 1.278 70.154 68.868 0.014 0.000 1.028 5352 T HN 0.777 nan 8.240 nan 0.000 0.485 5353 D N 0.147 120.561 120.400 0.024 0.000 2.689 5353 D HA -0.156 4.484 4.640 0.000 0.000 0.237 5353 D C 0.303 176.620 176.300 0.028 0.000 1.148 5353 D CA 0.825 54.839 54.000 0.024 0.000 0.656 5353 D CB -1.279 39.532 40.800 0.018 0.000 1.050 5353 D HN 1.100 nan 8.370 nan 0.000 0.426 5354 A N 1.347 124.189 122.820 0.036 0.000 2.511 5354 A HA 0.354 4.674 4.320 0.000 0.000 0.242 5354 A C 0.510 178.121 177.584 0.046 0.000 1.069 5354 A CA 0.200 52.262 52.037 0.042 0.000 0.763 5354 A CB 0.545 19.581 19.000 0.060 0.000 1.001 5354 A HN 0.158 nan 8.150 nan 0.000 0.498 5355 K N 3.027 123.451 120.400 0.040 0.000 2.404 5355 K HA 0.383 4.703 4.320 0.000 0.000 0.257 5355 K C -1.213 175.420 176.600 0.055 0.000 1.026 5355 K CA -0.248 56.064 56.287 0.041 0.000 0.951 5355 K CB 0.935 33.451 32.500 0.027 0.000 1.203 5355 K HN 0.524 nan 8.250 nan 0.000 0.446 5356 I N 2.141 122.760 120.570 0.082 0.000 2.371 5356 I HA 0.201 4.371 4.170 0.000 0.000 0.290 5356 I C 0.371 176.555 176.117 0.112 0.000 1.028 5356 I CA -0.145 61.235 61.300 0.133 0.000 1.345 5356 I CB 1.360 39.475 38.000 0.193 0.000 1.407 5356 I HN 0.517 nan 8.210 nan 0.000 0.501 5357 A N 7.501 130.392 122.820 0.117 0.000 2.330 5357 A HA 0.856 5.176 4.320 0.000 0.000 0.327 5357 A C -0.794 176.875 177.584 0.142 0.000 1.155 5357 A CA -0.569 51.524 52.037 0.094 0.000 0.803 5357 A CB 0.707 19.739 19.000 0.054 0.000 1.208 5357 A HN 0.653 nan 8.150 nan 0.000 0.477 5358 L N 3.410 124.696 121.223 0.105 0.000 2.318 5358 L HA 0.421 4.761 4.340 0.000 0.000 0.277 5358 L C -0.919 175.993 176.870 0.070 0.000 1.008 5358 L CA -0.082 54.821 54.840 0.105 0.000 0.846 5358 L CB 0.963 43.063 42.059 0.068 0.000 1.220 5358 L HN 0.572 nan 8.230 nan 0.000 0.423 5359 L N 2.759 124.027 121.223 0.075 0.000 2.325 5359 L HA 0.432 4.772 4.340 0.000 0.000 0.278 5359 L C 0.784 177.684 176.870 0.049 0.000 1.023 5359 L CA -0.340 54.531 54.840 0.052 0.000 0.811 5359 L CB 1.903 43.989 42.059 0.046 0.000 1.249 5359 L HN 0.518 nan 8.230 nan 0.000 0.431 5360 N N 0.822 119.543 118.700 0.036 0.000 2.454 5360 N HA -0.016 4.724 4.740 0.000 0.000 0.177 5360 N C 0.501 176.027 175.510 0.027 0.000 1.049 5360 N CA -0.025 53.043 53.050 0.030 0.000 0.887 5360 N CB 0.331 38.831 38.487 0.022 0.000 1.095 5360 N HN 0.743 nan 8.380 nan 0.000 0.446 5361 C N 1.350 120.665 119.300 0.025 0.000 2.700 5361 C HA 0.779 5.239 4.460 0.000 0.000 0.397 5361 C C 0.984 175.990 174.990 0.025 0.000 1.301 5361 C CA -1.340 57.692 59.018 0.023 0.000 2.219 5361 C CB -0.450 27.303 27.740 0.021 0.000 2.699 5361 C HN 0.426 nan 8.230 nan 0.000 0.669 5362 A N 2.775 125.609 122.820 0.023 0.000 2.388 5362 A HA 0.580 4.900 4.320 0.000 0.000 0.257 5362 A C 0.183 177.782 177.584 0.026 0.000 1.095 5362 A CA -0.598 51.453 52.037 0.024 0.000 0.791 5362 A CB -0.058 18.954 19.000 0.022 0.000 1.029 5362 A HN 0.901 nan 8.150 nan 0.000 0.489 5363 I N 2.759 123.345 120.570 0.027 0.000 2.206 5363 I HA 0.182 4.352 4.170 0.000 0.000 0.292 5363 I C 0.441 176.579 176.117 0.035 0.000 1.156 5363 I CA 0.247 61.565 61.300 0.031 0.000 1.356 5363 I CB -0.694 37.325 38.000 0.032 0.000 1.494 5363 I HN 0.870 nan 8.210 nan 0.000 0.601 5364 E N 3.926 124.145 120.200 0.033 0.000 2.456 5364 E HA 0.469 4.819 4.350 0.000 0.000 0.276 5364 E C -0.753 175.867 176.600 0.034 0.000 0.981 5364 E CA -1.179 55.241 56.400 0.034 0.000 0.814 5364 E CB 1.513 31.230 29.700 0.028 0.000 1.382 5364 E HN 0.020 nan 8.360 nan 0.000 0.459 5365 I N 2.249 122.840 120.570 0.036 0.000 2.705 5365 I HA -0.028 4.142 4.170 0.000 0.000 0.291 5365 I C 0.653 176.789 176.117 0.031 0.000 1.146 5365 I CA 0.461 61.783 61.300 0.037 0.000 1.383 5365 I CB -0.376 37.649 38.000 0.042 0.000 1.454 5365 I HN 0.328 nan 8.210 nan 0.000 0.581 5366 K N 5.194 125.611 120.400 0.028 0.000 2.511 5366 K HA -0.058 4.262 4.320 0.000 0.000 0.280 5366 K C 0.038 176.653 176.600 0.024 0.000 1.008 5366 K CA 0.219 56.521 56.287 0.024 0.000 1.050 5366 K CB 0.390 32.903 32.500 0.022 0.000 0.889 5366 K HN 0.466 nan 8.250 nan 0.000 0.484 5367 E N 2.240 122.452 120.200 0.020 0.000 2.179 5367 E HA 0.151 4.501 4.350 0.000 0.000 0.275 5367 E C -0.835 175.774 176.600 0.015 0.000 0.945 5367 E CA -0.553 55.858 56.400 0.018 0.000 0.792 5367 E CB 0.988 30.696 29.700 0.014 0.000 1.125 5367 E HN 0.578 nan 8.360 nan 0.000 0.397 5368 T N 1.933 116.496 114.554 0.015 0.000 2.903 5368 T HA 0.095 4.445 4.350 0.000 0.000 0.314 5368 T C 0.886 175.592 174.700 0.010 0.000 1.078 5368 T CA -0.489 61.619 62.100 0.014 0.000 1.114 5368 T CB 0.752 69.629 68.868 0.015 0.000 0.987 5368 T HN 0.448 nan 8.240 nan 0.000 0.548 5369 E N 0.724 120.930 120.200 0.010 0.000 2.046 5369 E HA -0.026 4.324 4.350 0.000 0.000 0.190 5369 E C 1.302 177.906 176.600 0.006 0.000 0.982 5369 E CA 0.901 57.306 56.400 0.008 0.000 0.800 5369 E CB -0.580 29.124 29.700 0.008 0.000 0.756 5369 E HN 0.795 nan 8.360 nan 0.000 0.449 5370 T N 1.853 116.410 114.554 0.006 0.000 2.930 5370 T HA -0.005 4.345 4.350 0.000 0.000 0.306 5370 T C -0.328 174.375 174.700 0.004 0.000 1.045 5370 T CA -0.610 61.493 62.100 0.005 0.000 1.134 5370 T CB 0.356 69.227 68.868 0.006 0.000 0.961 5370 T HN -0.178 nan 8.240 nan 0.000 0.545 5371 D N 2.737 123.138 120.400 0.002 0.000 2.450 5371 D HA 0.471 5.111 4.640 0.000 0.000 0.247 5371 D C -0.247 176.052 176.300 -0.002 0.000 1.162 5371 D CA 0.516 54.516 54.000 -0.001 0.000 0.879 5371 D CB 0.703 41.502 40.800 -0.002 0.000 1.163 5371 D HN 0.743 nan 8.370 nan 0.000 0.472 5372 A N 2.804 125.622 122.820 -0.004 0.000 2.547 5372 A HA 0.602 4.922 4.320 0.000 0.000 0.297 5372 A C -0.785 176.789 177.584 -0.017 0.000 1.056 5372 A CA -0.774 51.259 52.037 -0.006 0.000 0.688 5372 A CB 1.657 20.658 19.000 0.002 0.000 1.282 5372 A HN 0.459 nan 8.150 nan 0.000 0.400 5373 E N 0.857 121.039 120.200 -0.029 0.000 2.356 5373 E HA 0.503 4.853 4.350 0.000 0.000 0.275 5373 E C -1.466 175.084 176.600 -0.083 0.000 0.904 5373 E CA -0.835 55.533 56.400 -0.053 0.000 0.757 5373 E CB 2.300 31.970 29.700 -0.049 0.000 1.232 5373 E HN 0.494 nan 8.360 nan 0.000 0.442 5374 I N 2.053 122.535 120.570 -0.147 0.000 2.472 5374 I HA 0.183 4.353 4.170 0.000 0.000 0.290 5374 I C -0.011 175.958 176.117 -0.246 0.000 1.016 5374 I CA -0.254 60.883 61.300 -0.271 0.000 1.348 5374 I CB 0.484 38.153 38.000 -0.552 0.000 1.417 5374 I HN 0.195 nan 8.210 nan 0.000 0.521 5375 R N 6.974 127.344 120.500 -0.216 0.000 2.363 5375 R HA 0.478 4.818 4.340 0.000 0.000 0.297 5375 R C -0.926 175.300 176.300 -0.123 0.000 1.208 5375 R CA -0.527 55.491 56.100 -0.136 0.000 1.121 5375 R CB 0.679 30.938 30.300 -0.068 0.000 1.124 5375 R HN 0.547 nan 8.270 nan 0.000 0.561 5376 I N 0.968 121.450 120.570 -0.147 0.000 2.395 5376 I HA 0.112 4.282 4.170 0.000 0.000 0.289 5376 I C 1.318 177.430 176.117 -0.009 0.000 1.023 5376 I CA 0.263 61.526 61.300 -0.062 0.000 1.350 5376 I CB 1.548 39.508 38.000 -0.066 0.000 1.409 5376 I HN 0.357 nan 8.210 nan 0.000 0.507 5377 T N 3.108 117.680 114.554 0.030 0.000 3.262 5377 T HA 0.113 4.463 4.350 0.000 0.000 0.300 5377 T C -0.502 174.219 174.700 0.035 0.000 0.959 5377 T CA -0.154 61.960 62.100 0.024 0.000 0.936 5377 T CB -0.212 68.668 68.868 0.019 0.000 1.169 5377 T HN 0.620 nan 8.240 nan 0.000 0.532 5378 D N 0.640 121.071 120.400 0.052 0.000 2.896 5378 D HA 0.356 4.996 4.640 0.000 0.000 0.241 5378 D C -2.187 174.144 176.300 0.052 0.000 1.188 5378 D CA -1.811 52.218 54.000 0.048 0.000 0.879 5378 D CB 2.851 43.682 40.800 0.051 0.000 1.553 5378 D HN -0.154 nan 8.370 nan 0.000 0.515 5379 P HA -0.134 nan 4.420 nan 0.000 0.217 5379 P C 0.962 178.286 177.300 0.039 0.000 1.148 5379 P CA 1.348 64.469 63.100 0.034 0.000 0.834 5379 P CB 0.335 32.049 31.700 0.023 0.000 0.783 5380 A N -0.297 122.544 122.820 0.036 0.000 1.898 5380 A HA -0.193 4.127 4.320 0.000 0.000 0.216 5380 A C 2.083 179.694 177.584 0.044 0.000 1.181 5380 A CA 1.581 53.636 52.037 0.030 0.000 0.620 5380 A CB -0.881 18.129 19.000 0.017 0.000 0.819 5380 A HN 0.151 nan 8.150 nan 0.000 0.442 5381 K N -0.813 119.636 120.400 0.081 0.000 2.148 5381 K HA -0.046 4.274 4.320 0.000 0.000 0.204 5381 K C 1.821 178.574 176.600 0.256 0.000 1.050 5381 K CA 1.041 57.427 56.287 0.166 0.000 0.942 5381 K CB -0.307 32.344 32.500 0.252 0.000 0.724 5381 K HN 0.376 nan 8.250 nan 0.000 0.446 5382 L N 0.999 122.317 121.223 0.158 0.000 2.042 5382 L HA -0.199 4.141 4.340 0.000 0.000 0.210 5382 L C 1.995 178.938 176.870 0.122 0.000 1.076 5382 L CA 1.770 56.688 54.840 0.129 0.000 0.749 5382 L CB -0.223 41.877 42.059 0.069 0.000 0.893 5382 L HN 0.177 nan 8.230 nan 0.000 0.432 5383 M N -1.269 118.382 119.600 0.084 0.000 2.193 5383 M HA -0.067 4.413 4.480 0.000 0.000 0.265 5383 M C 2.150 178.475 176.300 0.042 0.000 1.071 5383 M CA 1.134 56.467 55.300 0.054 0.000 1.140 5383 M CB -1.106 31.512 32.600 0.030 0.000 1.369 5383 M HN 0.246 nan 8.290 nan 0.000 0.423 5384 E N 0.013 120.225 120.200 0.019 0.000 2.051 5384 E HA -0.136 4.214 4.350 0.000 0.000 0.192 5384 E C 2.071 178.609 176.600 -0.103 0.000 0.991 5384 E CA 1.403 57.753 56.400 -0.082 0.000 0.799 5384 E CB -0.416 29.175 29.700 -0.182 0.000 0.748 5384 E HN 0.455 nan 8.360 nan 0.000 0.449 5385 F N 0.657 120.610 119.950 0.005 0.000 2.206 5385 F HA -0.051 4.477 4.527 0.000 0.000 0.298 5385 F C 2.400 178.204 175.800 0.008 0.000 1.090 5385 F CA 0.550 58.554 58.000 0.006 0.000 1.323 5385 F CB -0.165 38.838 39.000 0.005 0.000 1.028 5385 F HN -0.053 nan 8.300 nan 0.000 0.492 5386 I N -0.124 120.559 120.570 0.189 0.000 2.286 5386 I HA -0.263 3.907 4.170 0.000 0.000 0.248 5386 I C 2.014 178.176 176.117 0.074 0.000 1.115 5386 I CA 1.514 62.880 61.300 0.110 0.000 1.392 5386 I CB -0.398 37.649 38.000 0.078 0.000 1.065 5386 I HN 0.175 nan 8.210 nan 0.000 0.418 5387 E N -0.011 120.220 120.200 0.052 0.000 2.216 5387 E HA -0.232 4.118 4.350 0.000 0.000 0.192 5387 E C 2.030 178.640 176.600 0.016 0.000 0.988 5387 E CA 0.519 56.936 56.400 0.029 0.000 0.834 5387 E CB 0.035 29.741 29.700 0.009 0.000 0.772 5387 E HN 0.330 nan 8.360 nan 0.000 0.479 5388 Q N 1.022 120.824 119.800 0.005 0.000 2.172 5388 Q HA -0.148 4.192 4.340 0.000 0.000 0.200 5388 Q C 1.768 177.788 176.000 0.034 0.000 0.964 5388 Q CA 1.137 56.931 55.803 -0.014 0.000 0.855 5388 Q CB 0.213 28.901 28.738 -0.085 0.000 0.918 5388 Q HN 0.147 nan 8.270 nan 0.000 0.444 5389 E N 0.286 120.529 120.200 0.071 0.000 2.051 5389 E HA -0.198 4.152 4.350 0.000 0.000 0.192 5389 E C 1.718 178.355 176.600 0.063 0.000 0.991 5389 E CA 1.123 57.567 56.400 0.073 0.000 0.799 5389 E CB -0.155 29.594 29.700 0.082 0.000 0.748 5389 E HN 0.481 nan 8.360 nan 0.000 0.449 5390 E N 1.388 121.627 120.200 0.066 0.000 2.150 5390 E HA -0.197 4.153 4.350 0.000 0.000 0.193 5390 E C 1.927 178.565 176.600 0.064 0.000 0.985 5390 E CA 1.032 57.485 56.400 0.088 0.000 0.814 5390 E CB 0.132 29.890 29.700 0.097 0.000 0.752 5390 E HN -0.055 nan 8.360 nan 0.000 0.466 5391 K N 0.842 121.257 120.400 0.024 0.000 2.057 5391 K HA -0.071 4.249 4.320 0.000 0.000 0.206 5391 K C 2.294 178.881 176.600 -0.022 0.000 1.050 5391 K CA 1.467 57.745 56.287 -0.016 0.000 0.935 5391 K CB -0.534 31.951 32.500 -0.025 0.000 0.715 5391 K HN 0.148 nan 8.250 nan 0.000 0.439 5392 M N -0.200 119.401 119.600 0.002 0.000 2.065 5392 M HA -0.179 4.301 4.480 0.000 0.000 0.259 5392 M C 1.858 178.163 176.300 0.009 0.000 1.069 5392 M CA 1.741 57.045 55.300 0.006 0.000 1.110 5392 M CB -0.267 32.347 32.600 0.024 0.000 1.328 5392 M HN 0.264 nan 8.290 nan 0.000 0.405 5393 L N 0.766 122.009 121.223 0.033 0.000 2.083 5393 L HA -0.196 4.144 4.340 0.000 0.000 0.209 5393 L C 2.366 179.261 176.870 0.043 0.000 1.083 5393 L CA 1.954 56.828 54.840 0.057 0.000 0.752 5393 L CB -0.779 41.339 42.059 0.098 0.000 0.899 5393 L HN 0.350 nan 8.230 nan 0.000 0.433 5394 K N -0.846 119.542 120.400 -0.021 0.000 2.057 5394 K HA -0.197 4.123 4.320 0.000 0.000 0.207 5394 K C 1.601 178.099 176.600 -0.169 0.000 1.049 5394 K CA 1.768 57.912 56.287 -0.238 0.000 0.931 5394 K CB -0.090 32.155 32.500 -0.425 0.000 0.714 5394 K HN 0.344 nan 8.250 nan 0.000 0.440 5395 D N 0.401 120.744 120.400 -0.095 0.000 2.183 5395 D HA -0.112 4.528 4.640 0.000 0.000 0.203 5395 D C 1.880 178.156 176.300 -0.040 0.000 0.969 5395 D CA 1.068 55.027 54.000 -0.068 0.000 0.842 5395 D CB -0.017 40.755 40.800 -0.046 0.000 0.957 5395 D HN 0.305 nan 8.370 nan 0.000 0.484 5396 M N -0.041 119.547 119.600 -0.021 0.000 2.117 5396 M HA -0.131 4.349 4.480 0.000 0.000 0.262 5396 M C 2.223 178.523 176.300 0.000 0.000 1.065 5396 M CA 0.902 56.202 55.300 -0.001 0.000 1.114 5396 M CB -0.068 32.541 32.600 0.016 0.000 1.361 5396 M HN -0.108 nan 8.290 nan 0.000 0.408 5397 V N 0.245 120.159 119.914 -0.000 0.000 2.358 5397 V HA -0.212 3.908 4.120 0.000 0.000 0.246 5397 V C 2.607 178.691 176.094 -0.016 0.000 1.047 5397 V CA 1.885 64.190 62.300 0.008 0.000 1.035 5397 V CB -1.145 30.703 31.823 0.043 0.000 0.658 5397 V HN 0.513 nan 8.190 nan 0.000 0.452 5398 A N -0.358 122.435 122.820 -0.045 0.000 1.972 5398 A HA -0.245 4.075 4.320 0.000 0.000 0.219 5398 A C 2.166 179.734 177.584 -0.026 0.000 1.169 5398 A CA 1.899 53.908 52.037 -0.046 0.000 0.635 5398 A CB -0.405 18.555 19.000 -0.066 0.000 0.810 5398 A HN 0.638 nan 8.150 nan 0.000 0.446 5399 E N -0.426 119.763 120.200 -0.020 0.000 2.107 5399 E HA -0.086 4.265 4.350 0.000 0.000 0.191 5399 E C 1.838 178.435 176.600 -0.004 0.000 0.982 5399 E CA 0.969 57.362 56.400 -0.010 0.000 0.809 5399 E CB -0.241 29.455 29.700 -0.007 0.000 0.756 5399 E HN 0.700 nan 8.360 nan 0.000 0.459 5400 I N 1.209 121.778 120.570 -0.002 0.000 2.226 5400 I HA -0.273 3.897 4.170 0.000 0.000 0.245 5400 I C 2.444 178.560 176.117 -0.001 0.000 1.100 5400 I CA 0.996 62.298 61.300 0.002 0.000 1.374 5400 I CB -0.116 37.886 38.000 0.005 0.000 1.057 5400 I HN -0.019 nan 8.210 nan 0.000 0.413 5401 K N 1.673 122.070 120.400 -0.005 0.000 2.097 5401 K HA -0.073 4.247 4.320 0.000 0.000 0.205 5401 K C 2.025 178.621 176.600 -0.006 0.000 1.050 5401 K CA 1.618 57.901 56.287 -0.007 0.000 0.938 5401 K CB -0.407 32.086 32.500 -0.011 0.000 0.718 5401 K HN 0.254 nan 8.250 nan 0.000 0.442 5402 A N 0.354 123.170 122.820 -0.007 0.000 1.978 5402 A HA -0.166 4.155 4.320 0.000 0.000 0.220 5402 A C 2.129 179.712 177.584 -0.002 0.000 1.170 5402 A CA 2.161 54.194 52.037 -0.006 0.000 0.636 5402 A CB -1.034 17.961 19.000 -0.008 0.000 0.810 5402 A HN 0.555 nan 8.150 nan 0.000 0.448 5403 S N -1.691 114.010 115.700 0.001 0.000 2.442 5403 S HA 0.232 4.702 4.470 0.000 0.000 0.236 5403 S C 1.642 176.245 174.600 0.007 0.000 1.007 5403 S CA 1.479 59.682 58.200 0.005 0.000 0.965 5403 S CB -0.538 62.667 63.200 0.009 0.000 0.773 5403 S HN 1.987 nan 8.310 nan 0.000 0.504 5404 G N 0.571 109.373 108.800 0.004 0.000 2.176 5404 G HA2 -0.060 3.900 3.960 0.000 0.000 0.232 5404 G HA3 -0.060 3.900 3.960 0.000 0.000 0.232 5404 G C 0.256 175.161 174.900 0.007 0.000 0.986 5404 G CA -0.001 45.102 45.100 0.005 0.000 0.643 5404 G HN 1.365 nan 8.290 nan 0.000 0.522 5405 A N 0.407 123.232 122.820 0.008 0.000 2.498 5405 A HA 0.570 4.890 4.320 0.000 0.000 0.239 5405 A C 1.000 178.583 177.584 -0.001 0.000 1.068 5405 A CA 1.290 53.333 52.037 0.010 0.000 0.766 5405 A CB 0.129 19.136 19.000 0.012 0.000 1.003 5405 A HN 1.357 nan 8.150 nan 0.000 0.497 5406 N N -0.354 118.344 118.700 -0.003 0.000 2.067 5406 N HA 0.176 4.916 4.740 0.000 0.000 0.227 5406 N C -0.901 174.588 175.510 -0.036 0.000 1.348 5406 N CA 0.125 53.166 53.050 -0.016 0.000 0.879 5406 N CB 0.523 39.005 38.487 -0.008 0.000 1.109 5406 N HN 0.269 nan 8.380 nan 0.000 0.501 5407 V N 1.516 121.409 119.914 -0.035 0.000 2.531 5407 V HA 0.600 4.720 4.120 0.000 0.000 0.301 5407 V C -1.354 174.668 176.094 -0.121 0.000 1.034 5407 V CA -0.815 61.428 62.300 -0.094 0.000 0.865 5407 V CB 1.811 33.619 31.823 -0.024 0.000 0.995 5407 V HN 0.219 nan 8.190 nan 0.000 0.424 5408 L N 5.537 126.589 121.223 -0.285 0.000 2.410 5408 L HA 0.736 5.076 4.340 0.000 0.000 0.270 5408 L C -1.573 175.035 176.870 -0.437 0.000 0.983 5408 L CA -0.068 54.647 54.840 -0.209 0.000 0.822 5408 L CB 1.742 43.736 42.059 -0.108 0.000 1.285 5408 L HN 0.476 nan 8.230 nan 0.000 0.409 5409 F N 4.631 124.585 119.950 0.006 0.000 2.427 5409 F HA 0.486 5.013 4.527 0.000 0.000 0.348 5409 F C -0.041 175.761 175.800 0.004 0.000 1.125 5409 F CA -0.438 57.564 58.000 0.003 0.000 0.989 5409 F CB 1.602 40.602 39.000 -0.001 0.000 1.165 5409 F HN 0.507 nan 8.300 nan 0.000 0.442 5410 C N 4.891 124.273 119.300 0.136 0.000 2.303 5410 C HA 0.244 4.704 4.460 0.000 0.000 0.326 5410 C C 1.641 176.683 174.990 0.087 0.000 1.285 5410 C CA -0.403 58.667 59.018 0.088 0.000 1.675 5410 C CB 0.758 28.526 27.740 0.046 0.000 2.289 5410 C HN 0.965 nan 8.230 nan 0.000 0.512 5411 Q N 3.396 123.238 119.800 0.070 0.000 2.124 5411 Q HA -0.052 4.289 4.340 0.000 0.000 0.202 5411 Q C 0.791 176.814 176.000 0.039 0.000 0.977 5411 Q CA 1.631 57.465 55.803 0.051 0.000 0.850 5411 Q CB 0.180 28.939 28.738 0.035 0.000 0.901 5411 Q HN 0.758 nan 8.270 nan 0.000 0.429 5412 K N -1.145 119.276 120.400 0.035 0.000 2.632 5412 K HA 0.433 4.753 4.320 0.000 0.000 0.267 5412 K C 0.329 176.946 176.600 0.028 0.000 1.028 5412 K CA -0.203 56.101 56.287 0.028 0.000 1.045 5412 K CB 0.146 32.660 32.500 0.024 0.000 1.400 5412 K HN 0.114 nan 8.250 nan 0.000 0.522 5413 G N 0.262 109.076 108.800 0.023 0.000 2.599 5413 G HA2 0.429 4.389 3.960 0.000 0.000 0.264 5413 G HA3 0.429 4.389 3.960 0.000 0.000 0.264 5413 G C -0.523 174.390 174.900 0.022 0.000 1.200 5413 G CA -0.513 44.600 45.100 0.021 0.000 0.896 5413 G HN 0.371 nan 8.290 nan 0.000 0.536 5414 I N 0.350 120.932 120.570 0.019 0.000 2.499 5414 I HA 0.169 4.339 4.170 0.000 0.000 0.288 5414 I C -0.586 175.544 176.117 0.021 0.000 1.048 5414 I CA -0.790 60.522 61.300 0.021 0.000 1.062 5414 I CB 2.151 40.161 38.000 0.016 0.000 1.238 5414 I HN 0.420 nan 8.210 nan 0.000 0.426 5415 D N 5.241 125.658 120.400 0.028 0.000 2.414 5415 D HA -0.037 4.603 4.640 0.000 0.000 0.242 5415 D C 0.632 176.946 176.300 0.024 0.000 1.129 5415 D CA 0.141 54.157 54.000 0.026 0.000 0.885 5415 D CB 1.320 42.141 40.800 0.035 0.000 1.198 5415 D HN 0.496 nan 8.370 nan 0.000 0.437 5416 D N 3.134 123.541 120.400 0.012 0.000 2.190 5416 D HA -0.169 4.471 4.640 0.000 0.000 0.200 5416 D C 1.912 178.209 176.300 -0.005 0.000 0.992 5416 D CA 0.766 54.766 54.000 0.002 0.000 0.854 5416 D CB 0.260 41.053 40.800 -0.012 0.000 0.936 5416 D HN 0.342 nan 8.370 nan 0.000 0.462 5417 L N 1.005 122.227 121.223 -0.003 0.000 2.056 5417 L HA -0.075 4.265 4.340 0.000 0.000 0.207 5417 L C 2.525 179.423 176.870 0.046 0.000 1.078 5417 L CA 1.224 56.050 54.840 -0.023 0.000 0.749 5417 L CB -1.067 41.009 42.059 0.028 0.000 0.901 5417 L HN -0.051 nan 8.230 nan 0.000 0.433 5418 A N -1.333 121.551 122.820 0.108 0.000 1.930 5418 A HA -0.225 4.095 4.320 0.000 0.000 0.217 5418 A C 2.214 179.862 177.584 0.107 0.000 1.175 5418 A CA 1.326 53.455 52.037 0.155 0.000 0.627 5418 A CB -0.433 18.630 19.000 0.105 0.000 0.815 5418 A HN 0.525 nan 8.150 nan 0.000 0.443 5419 Q N -1.281 118.553 119.800 0.056 0.000 2.084 5419 Q HA -0.217 4.123 4.340 0.000 0.000 0.202 5419 Q C 2.156 178.169 176.000 0.022 0.000 0.978 5419 Q CA 1.530 57.350 55.803 0.029 0.000 0.844 5419 Q CB -0.391 28.357 28.738 0.017 0.000 0.898 5419 Q HN 0.910 nan 8.270 nan 0.000 0.426 5420 H N -0.251 118.765 119.070 -0.090 0.000 2.293 5420 H HA -0.164 4.392 4.556 0.000 0.000 0.300 5420 H C 1.547 176.816 175.328 -0.100 0.000 1.082 5420 H CA 1.590 57.547 56.048 -0.151 0.000 1.308 5420 H CB -0.056 29.529 29.762 -0.294 0.000 1.375 5420 H HN 0.266 nan 8.280 nan 0.000 0.495 5421 Y N 0.909 121.227 120.300 0.030 0.000 2.274 5421 Y HA -0.119 4.431 4.550 0.000 0.000 0.290 5421 Y C 2.963 178.815 175.900 -0.080 0.000 1.145 5421 Y CA 0.636 58.719 58.100 -0.029 0.000 1.203 5421 Y CB -0.522 37.975 38.460 0.063 0.000 0.984 5421 Y HN 0.155 nan 8.280 nan 0.000 0.533 5422 L N -1.115 120.161 121.223 0.089 0.000 2.046 5422 L HA -0.235 4.105 4.340 0.000 0.000 0.208 5422 L C 2.642 179.491 176.870 -0.034 0.000 1.077 5422 L CA 1.219 56.071 54.840 0.020 0.000 0.747 5422 L CB -0.813 41.251 42.059 0.009 0.000 0.896 5422 L HN 0.191 nan 8.230 nan 0.000 0.432 5423 A N -0.443 122.329 122.820 -0.080 0.000 1.933 5423 A HA -0.168 4.152 4.320 0.000 0.000 0.218 5423 A C 2.249 179.759 177.584 -0.124 0.000 1.175 5423 A CA 1.380 53.353 52.037 -0.108 0.000 0.628 5423 A CB -0.234 18.685 19.000 -0.135 0.000 0.814 5423 A HN 0.195 nan 8.150 nan 0.000 0.444 5424 K N -0.047 120.250 120.400 -0.173 0.000 2.296 5424 K HA -0.003 4.317 4.320 0.000 0.000 0.200 5424 K C 1.151 177.726 176.600 -0.043 0.000 1.048 5424 K CA 0.640 56.852 56.287 -0.125 0.000 0.966 5424 K CB -0.055 32.354 32.500 -0.151 0.000 0.754 5424 K HN 0.475 nan 8.250 nan 0.000 0.466 5425 E N -0.107 120.079 120.200 -0.024 0.000 2.489 5425 E HA 0.023 4.373 4.350 0.000 0.000 0.193 5425 E C 0.742 177.330 176.600 -0.020 0.000 1.057 5425 E CA 0.352 56.745 56.400 -0.012 0.000 0.866 5425 E CB 0.210 29.909 29.700 -0.002 0.000 0.916 5425 E HN 0.433 nan 8.360 nan 0.000 0.500 5426 G N 1.876 110.657 108.800 -0.030 0.000 2.147 5426 G HA2 -0.283 3.677 3.960 0.000 0.000 0.244 5426 G HA3 -0.283 3.677 3.960 0.000 0.000 0.244 5426 G C 0.242 175.124 174.900 -0.031 0.000 1.005 5426 G CA 0.146 45.228 45.100 -0.030 0.000 0.713 5426 G HN 0.257 nan 8.290 nan 0.000 0.515 5427 I N 1.147 121.697 120.570 -0.034 0.000 2.315 5427 I HA 0.442 4.612 4.170 0.000 0.000 0.291 5427 I C 1.017 177.099 176.117 -0.059 0.000 1.006 5427 I CA -1.143 60.132 61.300 -0.041 0.000 1.265 5427 I CB 1.563 39.544 38.000 -0.033 0.000 1.387 5427 I HN 0.151 nan 8.210 nan 0.000 0.475 5428 V N 3.824 123.692 119.914 -0.076 0.000 2.644 5428 V HA 0.938 5.058 4.120 0.000 0.000 0.295 5428 V C 0.049 176.043 176.094 -0.167 0.000 1.053 5428 V CA -0.227 62.011 62.300 -0.103 0.000 0.987 5428 V CB 1.265 33.030 31.823 -0.097 0.000 1.006 5428 V HN 0.855 nan 8.190 nan 0.000 0.472 5429 A N 3.235 125.951 122.820 -0.173 0.000 2.594 5429 A HA 1.004 5.324 4.320 0.000 0.000 0.295 5429 A C -0.468 177.000 177.584 -0.193 0.000 1.071 5429 A CA -0.330 51.577 52.037 -0.217 0.000 0.685 5429 A CB 1.741 20.668 19.000 -0.122 0.000 1.285 5429 A HN 2.449 nan 8.150 nan 0.000 0.405 5430 A N 1.436 124.121 122.820 -0.224 0.000 2.398 5430 A HA 0.764 5.084 4.320 0.000 0.000 0.301 5430 A C -0.153 177.428 177.584 -0.005 0.000 1.041 5430 A CA -0.551 51.434 52.037 -0.088 0.000 0.711 5430 A CB 0.944 19.916 19.000 -0.047 0.000 1.240 5430 A HN 1.352 nan 8.150 nan 0.000 0.420 5431 R N 1.691 122.200 120.500 0.016 0.000 2.608 5431 R HA 0.731 5.071 4.340 0.000 0.000 0.255 5431 R C -0.346 175.982 176.300 0.048 0.000 1.086 5431 R CA -0.741 55.379 56.100 0.033 0.000 1.125 5431 R CB 0.400 30.712 30.300 0.019 0.000 1.193 5431 R HN 0.504 nan 8.270 nan 0.000 0.553 5432 R N -0.945 119.581 120.500 0.043 0.000 3.516 5432 R HA -0.110 4.230 4.340 0.000 0.000 0.271 5432 R C -0.712 175.615 176.300 0.045 0.000 1.098 5432 R CA 0.572 56.694 56.100 0.037 0.000 0.732 5432 R CB -2.662 27.654 30.300 0.026 0.000 1.152 5432 R HN 0.528 nan 8.270 nan 0.000 0.455 5433 V N 1.512 121.466 119.914 0.067 0.000 2.572 5433 V HA 0.035 4.155 4.120 0.000 0.000 0.291 5433 V C 1.492 177.605 176.094 0.031 0.000 1.039 5433 V CA -0.127 62.217 62.300 0.073 0.000 1.055 5433 V CB 1.164 33.068 31.823 0.134 0.000 0.969 5433 V HN 0.148 nan 8.190 nan 0.000 0.482 5434 K N 4.138 124.544 120.400 0.010 0.000 2.489 5434 K HA -0.026 4.295 4.320 0.000 0.000 0.278 5434 K C 1.377 177.967 176.600 -0.015 0.000 1.000 5434 K CA 0.090 56.374 56.287 -0.006 0.000 1.012 5434 K CB 0.321 32.810 32.500 -0.017 0.000 0.903 5434 K HN 0.710 nan 8.250 nan 0.000 0.485 5435 K N 2.297 122.691 120.400 -0.010 0.000 2.113 5435 K HA -0.218 4.102 4.320 0.000 0.000 0.208 5435 K C 1.863 178.447 176.600 -0.028 0.000 1.047 5435 K CA 2.025 58.303 56.287 -0.014 0.000 0.928 5435 K CB -0.139 32.356 32.500 -0.008 0.000 0.716 5435 K HN 0.619 nan 8.250 nan 0.000 0.446 5436 S N 0.652 116.334 115.700 -0.031 0.000 2.368 5436 S HA -0.156 4.314 4.470 0.000 0.000 0.225 5436 S C 1.349 175.912 174.600 -0.062 0.000 1.030 5436 S CA 1.735 59.911 58.200 -0.040 0.000 0.999 5436 S CB -0.341 62.838 63.200 -0.036 0.000 0.844 5436 S HN 0.372 nan 8.310 nan 0.000 0.459 5437 D N 0.859 121.215 120.400 -0.074 0.000 2.144 5437 D HA -0.034 4.606 4.640 0.000 0.000 0.200 5437 D C 1.975 178.182 176.300 -0.155 0.000 0.978 5437 D CA 0.878 54.806 54.000 -0.120 0.000 0.833 5437 D CB -0.235 40.492 40.800 -0.121 0.000 0.961 5437 D HN 0.375 nan 8.370 nan 0.000 0.470 5438 M N 0.475 120.011 119.600 -0.106 0.000 2.159 5438 M HA -0.089 4.392 4.480 0.000 0.000 0.263 5438 M C 1.881 178.130 176.300 -0.084 0.000 1.063 5438 M CA 1.195 56.439 55.300 -0.093 0.000 1.110 5438 M CB -0.735 31.845 32.600 -0.034 0.000 1.374 5438 M HN 0.111 nan 8.290 nan 0.000 0.411 5439 E N -0.005 120.154 120.200 -0.067 0.000 2.107 5439 E HA -0.134 4.216 4.350 0.000 0.000 0.191 5439 E C 2.011 178.571 176.600 -0.068 0.000 0.982 5439 E CA 0.821 57.188 56.400 -0.054 0.000 0.809 5439 E CB 0.022 29.698 29.700 -0.040 0.000 0.756 5439 E HN 0.499 nan 8.360 nan 0.000 0.459 5440 K N 0.534 120.881 120.400 -0.088 0.000 2.148 5440 K HA -0.059 4.261 4.320 0.000 0.000 0.204 5440 K C 2.108 178.638 176.600 -0.117 0.000 1.050 5440 K CA 0.639 56.868 56.287 -0.095 0.000 0.942 5440 K CB 0.031 32.468 32.500 -0.104 0.000 0.724 5440 K HN 0.088 nan 8.250 nan 0.000 0.446 5441 L N 0.368 121.495 121.223 -0.161 0.000 2.093 5441 L HA -0.148 4.192 4.340 0.000 0.000 0.208 5441 L C 2.545 179.355 176.870 -0.101 0.000 1.085 5441 L CA 0.996 55.723 54.840 -0.188 0.000 0.755 5441 L CB -0.491 41.370 42.059 -0.329 0.000 0.904 5441 L HN 0.183 nan 8.230 nan 0.000 0.435 5442 A N 0.225 123.001 122.820 -0.073 0.000 1.877 5442 A HA -0.212 4.108 4.320 0.000 0.000 0.216 5442 A C 2.323 179.891 177.584 -0.025 0.000 1.186 5442 A CA 1.685 53.701 52.037 -0.035 0.000 0.620 5442 A CB -0.300 18.685 19.000 -0.026 0.000 0.822 5442 A HN 0.316 nan 8.150 nan 0.000 0.443 5443 K N -0.436 119.943 120.400 -0.035 0.000 2.103 5443 K HA 0.068 4.388 4.320 0.000 0.000 0.204 5443 K C 2.339 178.922 176.600 -0.028 0.000 1.052 5443 K CA 0.937 57.208 56.287 -0.026 0.000 0.945 5443 K CB -0.256 32.225 32.500 -0.032 0.000 0.722 5443 K HN 0.426 nan 8.250 nan 0.000 0.443 5444 A N 1.345 124.138 122.820 -0.044 0.000 1.840 5444 A HA -0.146 4.174 4.320 0.000 0.000 0.214 5444 A C 2.329 179.900 177.584 -0.021 0.000 1.198 5444 A CA 2.211 54.221 52.037 -0.045 0.000 0.608 5444 A CB -1.097 17.867 19.000 -0.059 0.000 0.839 5444 A HN 0.436 nan 8.150 nan 0.000 0.443 5445 T N -4.154 110.390 114.554 -0.016 0.000 3.043 5445 T HA 0.356 4.706 4.350 0.000 0.000 0.263 5445 T C 1.425 176.137 174.700 0.021 0.000 1.094 5445 T CA 1.244 63.350 62.100 0.009 0.000 1.127 5445 T CB -0.155 68.723 68.868 0.017 0.000 0.905 5445 T HN 1.852 nan 8.240 nan 0.000 0.490 5446 G N 1.350 110.159 108.800 0.014 0.000 2.137 5446 G HA2 -0.001 3.959 3.960 0.000 0.000 0.237 5446 G HA3 -0.001 3.959 3.960 0.000 0.000 0.237 5446 G C 0.220 175.132 174.900 0.020 0.000 1.002 5446 G CA -0.039 45.074 45.100 0.022 0.000 0.702 5446 G HN 1.175 nan 8.290 nan 0.000 0.515 5447 A N -0.386 122.444 122.820 0.016 0.000 2.407 5447 A HA 0.623 4.943 4.320 0.000 0.000 0.248 5447 A C 0.418 178.012 177.584 0.016 0.000 1.082 5447 A CA 0.374 52.425 52.037 0.023 0.000 0.785 5447 A CB 0.475 19.494 19.000 0.032 0.000 1.020 5447 A HN 0.773 nan 8.150 nan 0.000 0.489 5448 N N 1.215 119.927 118.700 0.021 0.000 2.421 5448 N HA 0.371 5.111 4.740 0.000 0.000 0.285 5448 N C -0.879 174.642 175.510 0.019 0.000 1.027 5448 N CA -0.364 52.696 53.050 0.017 0.000 0.918 5448 N CB 1.307 39.804 38.487 0.016 0.000 1.152 5448 N HN 0.281 nan 8.380 nan 0.000 0.485 5449 V N 4.902 124.824 119.914 0.014 0.000 2.446 5449 V HA 0.180 4.300 4.120 0.000 0.000 0.276 5449 V C 0.257 176.362 176.094 0.018 0.000 1.030 5449 V CA -0.086 62.223 62.300 0.016 0.000 1.033 5449 V CB -0.269 31.559 31.823 0.008 0.000 0.993 5449 V HN 0.514 nan 8.190 nan 0.000 0.477 5450 I N 4.009 124.594 120.570 0.024 0.000 2.474 5450 I HA 0.455 4.625 4.170 0.000 0.000 0.294 5450 I C 0.976 177.106 176.117 0.022 0.000 1.005 5450 I CA -0.374 60.939 61.300 0.022 0.000 1.113 5450 I CB 1.479 39.493 38.000 0.023 0.000 1.289 5450 I HN 0.602 nan 8.210 nan 0.000 0.436 5451 A N 5.485 128.315 122.820 0.018 0.000 1.840 5451 A HA 0.361 4.681 4.320 0.000 0.000 0.214 5451 A C 1.109 178.704 177.584 0.018 0.000 1.198 5451 A CA 1.111 53.158 52.037 0.017 0.000 0.608 5451 A CB -0.155 18.854 19.000 0.014 0.000 0.839 5451 A HN 0.732 nan 8.150 nan 0.000 0.443 5452 A N -1.102 121.728 122.820 0.017 0.000 2.312 5452 A HA 0.651 4.972 4.320 0.000 0.000 0.328 5452 A C 0.823 178.417 177.584 0.016 0.000 1.158 5452 A CA -0.571 51.476 52.037 0.016 0.000 0.821 5452 A CB 0.400 19.408 19.000 0.013 0.000 1.170 5452 A HN 0.347 nan 8.150 nan 0.000 0.490 5453 I N 1.480 122.060 120.570 0.016 0.000 2.226 5453 I HA -0.287 3.883 4.170 0.000 0.000 0.245 5453 I C 2.779 178.903 176.117 0.012 0.000 1.100 5453 I CA 1.749 63.058 61.300 0.015 0.000 1.374 5453 I CB -0.270 37.739 38.000 0.015 0.000 1.057 5453 I HN 0.760 nan 8.210 nan 0.000 0.413 5454 A N 0.727 123.553 122.820 0.010 0.000 1.978 5454 A HA -0.182 4.138 4.320 0.000 0.000 0.220 5454 A C 2.447 180.035 177.584 0.008 0.000 1.170 5454 A CA 1.865 53.906 52.037 0.007 0.000 0.636 5454 A CB -0.714 18.290 19.000 0.006 0.000 0.810 5454 A HN 0.457 nan 8.150 nan 0.000 0.448 5455 A N -0.744 122.082 122.820 0.010 0.000 2.168 5455 A HA 0.308 4.628 4.320 0.000 0.000 0.215 5455 A C 0.991 178.581 177.584 0.011 0.000 1.152 5455 A CA -0.024 52.019 52.037 0.010 0.000 0.716 5455 A CB -0.466 18.541 19.000 0.011 0.000 0.794 5455 A HN 0.460 nan 8.150 nan 0.000 0.465 5456 L N 1.454 122.684 121.223 0.013 0.000 2.490 5456 L HA 0.215 4.555 4.340 0.000 0.000 0.274 5456 L C 0.667 177.544 176.870 0.011 0.000 1.201 5456 L CA 0.251 55.100 54.840 0.014 0.000 0.869 5456 L CB 0.573 42.641 42.059 0.015 0.000 1.123 5456 L HN 0.490 nan 8.230 nan 0.000 0.484 5457 S N 1.206 116.914 115.700 0.013 0.000 2.625 5457 S HA 0.569 5.039 4.470 0.000 0.000 0.271 5457 S C 0.356 174.964 174.600 0.013 0.000 1.161 5457 S CA -0.291 57.916 58.200 0.011 0.000 0.820 5457 S CB 1.520 64.725 63.200 0.009 0.000 1.137 5457 S HN 0.602 nan 8.310 nan 0.000 0.470 5458 A N 0.571 123.398 122.820 0.011 0.000 1.978 5458 A HA -0.133 4.187 4.320 0.000 0.000 0.220 5458 A C 2.057 179.650 177.584 0.014 0.000 1.170 5458 A CA 2.024 54.068 52.037 0.013 0.000 0.636 5458 A CB -1.110 17.896 19.000 0.010 0.000 0.810 5458 A HN 0.901 nan 8.150 nan 0.000 0.448 5459 Q N -0.794 119.014 119.800 0.012 0.000 2.369 5459 Q HA -0.144 4.196 4.340 0.000 0.000 0.206 5459 Q C 0.534 176.543 176.000 0.015 0.000 0.963 5459 Q CA 1.293 57.103 55.803 0.013 0.000 0.894 5459 Q CB 0.007 28.751 28.738 0.010 0.000 0.965 5459 Q HN 0.610 nan 8.270 nan 0.000 0.475 5460 D N -0.147 120.263 120.400 0.017 0.000 2.354 5460 D HA 0.079 4.719 4.640 0.000 0.000 0.209 5460 D C 0.121 176.437 176.300 0.025 0.000 1.015 5460 D CA 0.212 54.223 54.000 0.019 0.000 0.867 5460 D CB 0.392 41.203 40.800 0.019 0.000 0.933 5460 D HN 0.272 nan 8.370 nan 0.000 0.520 5461 L N 0.708 121.947 121.223 0.027 0.000 2.395 5461 L HA 0.397 4.737 4.340 0.000 0.000 0.269 5461 L C 1.194 178.084 176.870 0.034 0.000 1.133 5461 L CA -0.503 54.358 54.840 0.034 0.000 0.812 5461 L CB 1.206 43.284 42.059 0.032 0.000 1.125 5461 L HN -0.138 nan 8.230 nan 0.000 0.452 5462 G N 0.534 109.360 108.800 0.043 0.000 2.491 5462 G HA2 0.499 4.459 3.960 0.000 0.000 0.327 5462 G HA3 0.499 4.459 3.960 0.000 0.000 0.327 5462 G C -1.340 173.588 174.900 0.046 0.000 1.189 5462 G CA -0.424 44.701 45.100 0.041 0.000 0.956 5462 G HN 0.519 nan 8.290 nan 0.000 0.491 5463 D N -0.328 120.097 120.400 0.042 0.000 2.362 5463 D HA 0.657 5.297 4.640 0.000 0.000 0.247 5463 D C -0.269 176.058 176.300 0.046 0.000 1.050 5463 D CA 0.058 54.084 54.000 0.043 0.000 0.839 5463 D CB 1.979 42.801 40.800 0.037 0.000 1.283 5463 D HN 0.590 nan 8.370 nan 0.000 0.477 5464 A N 0.425 123.275 122.820 0.051 0.000 2.486 5464 A HA 0.649 4.969 4.320 0.000 0.000 0.300 5464 A C 1.001 178.614 177.584 0.049 0.000 1.048 5464 A CA -0.407 51.662 52.037 0.053 0.000 0.696 5464 A CB 1.670 20.712 19.000 0.071 0.000 1.278 5464 A HN 0.487 nan 8.150 nan 0.000 0.405 5465 G N 0.178 109.005 108.800 0.044 0.000 2.402 5465 G HA2 0.312 4.272 3.960 0.000 0.000 0.216 5465 G HA3 0.312 4.272 3.960 0.000 0.000 0.216 5465 G C 0.278 175.202 174.900 0.040 0.000 1.162 5465 G CA 1.657 46.780 45.100 0.038 0.000 0.777 5465 G HN 1.176 nan 8.290 nan 0.000 0.539 5466 L N -0.154 121.100 121.223 0.051 0.000 2.493 5466 L HA 0.639 4.979 4.340 0.000 0.000 0.265 5466 L C -1.414 175.506 176.870 0.083 0.000 0.954 5466 L CA -0.801 54.073 54.840 0.055 0.000 0.844 5466 L CB 2.545 44.630 42.059 0.043 0.000 1.302 5466 L HN -0.133 nan 8.230 nan 0.000 0.405 5467 V N 4.218 124.182 119.914 0.084 0.000 2.407 5467 V HA 0.638 4.758 4.120 0.000 0.000 0.291 5467 V C -0.536 175.616 176.094 0.096 0.000 1.018 5467 V CA -0.440 61.929 62.300 0.114 0.000 0.842 5467 V CB 1.457 33.349 31.823 0.114 0.000 0.996 5467 V HN 0.827 nan 8.190 nan 0.000 0.426 5468 E N 3.186 123.466 120.200 0.133 0.000 2.292 5468 E HA 0.412 4.762 4.350 0.000 0.000 0.272 5468 E C -1.039 175.657 176.600 0.160 0.000 0.881 5468 E CA -0.656 55.805 56.400 0.102 0.000 0.754 5468 E CB 2.193 31.921 29.700 0.047 0.000 1.201 5468 E HN 0.751 nan 8.360 nan 0.000 0.425 5469 E N 4.313 124.578 120.200 0.108 0.000 2.130 5469 E HA 0.261 4.611 4.350 0.000 0.000 0.284 5469 E C -0.897 175.761 176.600 0.097 0.000 1.018 5469 E CA -0.285 56.190 56.400 0.125 0.000 0.817 5469 E CB 0.698 30.441 29.700 0.072 0.000 1.078 5469 E HN 0.354 nan 8.360 nan 0.000 0.396 5470 R N 3.427 124.022 120.500 0.158 0.000 2.807 5470 R HA 0.381 4.721 4.340 0.000 0.000 0.276 5470 R C -0.739 175.631 176.300 0.118 0.000 0.979 5470 R CA -0.964 55.178 56.100 0.070 0.000 0.928 5470 R CB 1.879 32.115 30.300 -0.106 0.000 1.191 5470 R HN 0.321 nan 8.270 nan 0.000 0.471 5471 K N 2.489 122.923 120.400 0.057 0.000 2.262 5471 K HA 0.335 4.655 4.320 0.000 0.000 0.282 5471 K C -0.482 176.157 176.600 0.066 0.000 1.066 5471 K CA -0.328 55.996 56.287 0.061 0.000 0.901 5471 K CB 0.792 33.311 32.500 0.031 0.000 1.089 5471 K HN 0.255 nan 8.250 nan 0.000 0.476 5472 I N 2.523 123.153 120.570 0.100 0.000 2.359 5472 I HA 0.051 4.221 4.170 0.000 0.000 0.284 5472 I C 0.701 176.854 176.117 0.061 0.000 1.018 5472 I CA -0.178 61.182 61.300 0.101 0.000 1.173 5472 I CB 0.658 38.762 38.000 0.175 0.000 1.326 5472 I HN 0.727 nan 8.210 nan 0.000 0.462 5473 S N 4.552 120.276 115.700 0.041 0.000 3.635 5473 S HA -0.212 4.258 4.470 0.000 0.000 0.328 5473 S C 1.389 176.002 174.600 0.022 0.000 1.135 5473 S CA 1.543 59.759 58.200 0.025 0.000 0.942 5473 S CB -1.046 62.167 63.200 0.022 0.000 0.930 5473 S HN 1.472 nan 8.310 nan 0.000 0.512 5474 G N -0.049 108.765 108.800 0.025 0.000 2.363 5474 G HA2 -0.283 3.677 3.960 0.000 0.000 0.238 5474 G HA3 -0.283 3.677 3.960 0.000 0.000 0.238 5474 G C -0.295 174.622 174.900 0.028 0.000 1.062 5474 G CA 0.306 45.419 45.100 0.022 0.000 0.629 5474 G HN 0.685 nan 8.290 nan 0.000 0.514 5475 D N 1.892 122.312 120.400 0.032 0.000 2.425 5475 D HA 0.460 5.100 4.640 0.000 0.000 0.247 5475 D C 1.020 177.352 176.300 0.053 0.000 1.147 5475 D CA 0.823 54.844 54.000 0.034 0.000 0.879 5475 D CB 1.275 42.092 40.800 0.027 0.000 1.179 5475 D HN 0.652 nan 8.370 nan 0.000 0.456 5476 S N 2.389 118.118 115.700 0.048 0.000 2.488 5476 S HA 0.461 4.931 4.470 0.000 0.000 0.278 5476 S C 0.129 174.771 174.600 0.070 0.000 1.259 5476 S CA -0.610 57.627 58.200 0.063 0.000 1.061 5476 S CB 0.503 63.731 63.200 0.046 0.000 0.910 5476 S HN 0.365 nan 8.310 nan 0.000 0.491 5477 M N 2.901 122.570 119.600 0.115 0.000 2.550 5477 M HA 0.517 4.997 4.480 0.000 0.000 0.292 5477 M C -1.094 175.296 176.300 0.150 0.000 1.221 5477 M CA -0.576 54.775 55.300 0.084 0.000 0.873 5477 M CB 2.283 34.907 32.600 0.040 0.000 1.727 5477 M HN 0.549 nan 8.290 nan 0.000 0.459 5478 I N 1.783 122.387 120.570 0.056 0.000 2.362 5478 I HA 0.367 4.537 4.170 0.000 0.000 0.289 5478 I C -1.332 174.795 176.117 0.016 0.000 0.994 5478 I CA -0.388 60.996 61.300 0.139 0.000 1.158 5478 I CB 1.063 39.169 38.000 0.176 0.000 1.315 5478 I HN 0.467 nan 8.210 nan 0.000 0.451 5479 F N 6.116 126.103 119.950 0.062 0.000 2.334 5479 F HA 0.333 4.860 4.527 0.000 0.000 0.367 5479 F C 0.130 175.965 175.800 0.060 0.000 1.115 5479 F CA -0.677 57.351 58.000 0.046 0.000 1.116 5479 F CB 1.225 40.242 39.000 0.028 0.000 1.230 5479 F HN 0.037 nan 8.300 nan 0.000 0.484 5480 V N 4.652 124.655 119.914 0.149 0.000 2.304 5480 V HA 0.315 4.435 4.120 0.000 0.000 0.269 5480 V C -0.136 176.013 176.094 0.092 0.000 1.036 5480 V CA -0.516 61.858 62.300 0.124 0.000 0.840 5480 V CB 0.341 32.215 31.823 0.084 0.000 1.036 5480 V HN 0.793 nan 8.190 nan 0.000 0.466 5481 E N 3.158 123.422 120.200 0.107 0.000 2.423 5481 E HA 0.608 4.959 4.350 0.000 0.000 0.269 5481 E C -0.726 175.910 176.600 0.060 0.000 0.948 5481 E CA -0.856 55.596 56.400 0.086 0.000 0.802 5481 E CB 1.568 31.338 29.700 0.117 0.000 1.339 5481 E HN 0.205 nan 8.360 nan 0.000 0.445 5482 E N -0.794 119.433 120.200 0.045 0.000 2.416 5482 E HA -0.150 4.200 4.350 0.000 0.000 0.249 5482 E C -0.725 175.894 176.600 0.032 0.000 1.124 5482 E CA 0.569 56.990 56.400 0.034 0.000 0.732 5482 E CB -2.290 27.430 29.700 0.034 0.000 1.286 5482 E HN 0.567 nan 8.360 nan 0.000 0.394 5483 C N 0.638 119.954 119.300 0.026 0.000 2.676 5483 C HA 0.068 4.528 4.460 0.000 0.000 0.416 5483 C C 2.282 177.291 174.990 0.031 0.000 1.299 5483 C CA -0.156 58.876 59.018 0.024 0.000 2.048 5483 C CB 0.451 28.194 27.740 0.006 0.000 2.713 5483 C HN 0.410 nan 8.230 nan 0.000 0.624 5484 K N 0.627 121.056 120.400 0.047 0.000 1.969 5484 K HA -0.145 4.175 4.320 0.000 0.000 0.216 5484 K C 0.601 177.270 176.600 0.115 0.000 1.048 5484 K CA 1.713 58.042 56.287 0.070 0.000 0.948 5484 K CB -0.124 32.418 32.500 0.070 0.000 0.726 5484 K HN 0.749 nan 8.250 nan 0.000 0.442 5485 H N 0.623 119.696 119.070 0.006 0.000 2.569 5485 H HA 0.216 4.773 4.556 0.000 0.000 0.247 5485 H C -2.675 172.654 175.328 0.001 0.000 1.346 5485 H CA -2.319 53.731 56.048 0.004 0.000 1.502 5485 H CB 0.538 30.301 29.762 0.003 0.000 1.512 5485 H HN -0.020 nan 8.280 nan 0.000 0.502 5486 P HA 0.075 nan 4.420 nan 0.000 0.271 5486 P C 0.318 177.479 177.300 -0.232 0.000 1.220 5486 P CA -0.263 62.749 63.100 -0.148 0.000 0.768 5486 P CB 1.666 33.307 31.700 -0.099 0.000 0.848 5487 K N 1.620 121.941 120.400 -0.131 0.000 2.374 5487 K HA 0.316 4.636 4.320 0.000 0.000 0.196 5487 K C -0.039 176.516 176.600 -0.075 0.000 1.023 5487 K CA -0.080 56.146 56.287 -0.102 0.000 1.103 5487 K CB 0.362 32.840 32.500 -0.037 0.000 0.848 5487 K HN 0.576 nan 8.250 nan 0.000 0.528 5488 A N 0.956 123.731 122.820 -0.075 0.000 2.427 5488 A HA 0.528 4.848 4.320 0.000 0.000 0.298 5488 A C -0.940 176.606 177.584 -0.065 0.000 1.036 5488 A CA -0.740 51.259 52.037 -0.063 0.000 0.701 5488 A CB 1.467 20.430 19.000 -0.061 0.000 1.250 5488 A HN 0.042 nan 8.150 nan 0.000 0.412 5489 V N -0.797 119.083 119.914 -0.057 0.000 3.074 5489 V HA 0.969 5.089 4.120 0.000 0.000 0.314 5489 V C -0.428 175.637 176.094 -0.049 0.000 1.117 5489 V CA -0.612 61.658 62.300 -0.049 0.000 1.014 5489 V CB 1.722 33.520 31.823 -0.041 0.000 1.057 5489 V HN 0.826 nan 8.190 nan 0.000 0.438 5490 T N 3.965 118.492 114.554 -0.045 0.000 2.841 5490 T HA 0.552 4.902 4.350 0.000 0.000 0.285 5490 T C -0.573 174.108 174.700 -0.031 0.000 0.991 5490 T CA -0.207 61.861 62.100 -0.053 0.000 0.966 5490 T CB 1.358 70.173 68.868 -0.089 0.000 0.962 5490 T HN 0.956 nan 8.240 nan 0.000 0.438 5491 M N 4.626 124.209 119.600 -0.028 0.000 2.101 5491 M HA 0.544 5.024 4.480 0.000 0.000 0.340 5491 M C -1.419 174.876 176.300 -0.010 0.000 1.057 5491 M CA -1.086 54.208 55.300 -0.009 0.000 0.984 5491 M CB 0.561 33.156 32.600 -0.008 0.000 1.560 5491 M HN 0.485 nan 8.290 nan 0.000 0.435 5492 L N 7.060 128.291 121.223 0.013 0.000 2.257 5492 L HA 0.518 4.858 4.340 0.000 0.000 0.290 5492 L C -1.386 175.502 176.870 0.030 0.000 1.044 5492 L CA -0.034 54.819 54.840 0.022 0.000 0.810 5492 L CB 0.806 42.907 42.059 0.071 0.000 1.193 5492 L HN 0.674 nan 8.230 nan 0.000 0.425 5493 I N 5.964 126.544 120.570 0.017 0.000 2.331 5493 I HA 0.481 4.651 4.170 0.000 0.000 0.292 5493 I C 0.163 176.294 176.117 0.022 0.000 0.998 5493 I CA -0.074 61.237 61.300 0.017 0.000 1.267 5493 I CB 0.687 38.693 38.000 0.009 0.000 1.386 5493 I HN 0.522 nan 8.210 nan 0.000 0.476 5494 R N 3.992 124.507 120.500 0.024 0.000 2.873 5494 R HA 0.944 5.284 4.340 0.000 0.000 0.264 5494 R C -0.232 176.079 176.300 0.019 0.000 1.026 5494 R CA -1.154 54.961 56.100 0.024 0.000 1.002 5494 R CB 1.797 32.114 30.300 0.028 0.000 1.174 5494 R HN 0.821 nan 8.270 nan 0.000 0.488 5495 G N -0.872 107.939 108.800 0.017 0.000 2.340 5495 G HA2 0.061 4.021 3.960 0.000 0.000 0.298 5495 G HA3 0.061 4.021 3.960 0.000 0.000 0.298 5495 G C -0.008 174.901 174.900 0.015 0.000 1.498 5495 G CA -0.560 44.550 45.100 0.017 0.000 0.847 5495 G HN 0.303 nan 8.290 nan 0.000 0.594 5496 T N 0.372 114.937 114.554 0.017 0.000 2.915 5496 T HA 0.200 4.550 4.350 0.000 0.000 0.269 5496 T C 0.866 175.575 174.700 0.015 0.000 1.071 5496 T CA 2.028 64.138 62.100 0.016 0.000 1.132 5496 T CB -0.163 68.717 68.868 0.019 0.000 0.878 5496 T HN 0.667 nan 8.240 nan 0.000 0.479 5497 T N -0.173 114.391 114.554 0.017 0.000 2.853 5497 T HA 0.280 4.630 4.350 0.000 0.000 0.311 5497 T C 0.604 175.297 174.700 -0.012 0.000 1.307 5497 T CA -0.746 61.359 62.100 0.009 0.000 1.019 5497 T CB 2.550 71.441 68.868 0.038 0.000 1.264 5497 T HN -0.081 nan 8.240 nan 0.000 0.497 5498 E N 0.798 120.954 120.200 -0.073 0.000 2.086 5498 E HA -0.256 4.094 4.350 0.000 0.000 0.200 5498 E C 1.544 178.062 176.600 -0.136 0.000 1.012 5498 E CA 2.052 58.366 56.400 -0.144 0.000 0.812 5498 E CB -0.126 29.419 29.700 -0.258 0.000 0.743 5498 E HN 0.626 nan 8.360 nan 0.000 0.453 5499 H N -0.935 118.138 119.070 0.004 0.000 2.495 5499 H HA 0.014 4.570 4.556 0.000 0.000 0.287 5499 H C 2.123 177.453 175.328 0.004 0.000 1.033 5499 H CA 1.212 57.262 56.048 0.003 0.000 1.307 5499 H CB -0.010 29.753 29.762 0.002 0.000 1.401 5499 H HN 0.120 nan 8.280 nan 0.000 0.555 5500 V N 2.035 122.015 119.914 0.109 0.000 2.283 5500 V HA -0.211 3.909 4.120 0.000 0.000 0.243 5500 V C 2.673 178.793 176.094 0.043 0.000 1.039 5500 V CA 1.746 64.084 62.300 0.064 0.000 1.016 5500 V CB -0.571 31.279 31.823 0.046 0.000 0.650 5500 V HN 0.408 nan 8.190 nan 0.000 0.449 5501 I N -1.018 119.568 120.570 0.026 0.000 2.614 5501 I HA -0.161 4.009 4.170 0.000 0.000 0.258 5501 I C 2.256 178.382 176.117 0.016 0.000 1.189 5501 I CA 1.904 63.213 61.300 0.015 0.000 1.462 5501 I CB -0.520 37.482 38.000 0.003 0.000 1.092 5501 I HN 0.427 nan 8.210 nan 0.000 0.442 5502 E N 1.863 122.079 120.200 0.025 0.000 2.047 5502 E HA -0.293 4.057 4.350 0.000 0.000 0.191 5502 E C 2.210 178.834 176.600 0.040 0.000 0.987 5502 E CA 1.387 57.808 56.400 0.035 0.000 0.799 5502 E CB -0.100 29.642 29.700 0.069 0.000 0.752 5502 E HN 0.681 nan 8.360 nan 0.000 0.449 5503 E N -0.173 120.056 120.200 0.049 0.000 2.106 5503 E HA -0.146 4.204 4.350 0.000 0.000 0.192 5503 E C 2.068 178.684 176.600 0.025 0.000 0.984 5503 E CA 1.091 57.513 56.400 0.036 0.000 0.806 5503 E CB 0.246 29.968 29.700 0.037 0.000 0.750 5503 E HN 0.168 nan 8.360 nan 0.000 0.458 5504 V N 1.040 120.968 119.914 0.024 0.000 2.379 5504 V HA -0.209 3.911 4.120 0.000 0.000 0.245 5504 V C 2.428 178.530 176.094 0.013 0.000 1.044 5504 V CA 1.631 63.941 62.300 0.018 0.000 1.036 5504 V CB -0.655 31.179 31.823 0.018 0.000 0.664 5504 V HN 0.408 nan 8.190 nan 0.000 0.453 5505 A N 0.550 123.377 122.820 0.011 0.000 1.908 5505 A HA -0.292 4.028 4.320 0.000 0.000 0.218 5505 A C 2.304 179.892 177.584 0.005 0.000 1.181 5505 A CA 2.373 54.414 52.037 0.005 0.000 0.627 5505 A CB -0.538 18.463 19.000 0.002 0.000 0.818 5505 A HN 0.482 nan 8.150 nan 0.000 0.445 5506 R N 0.082 120.588 120.500 0.010 0.000 2.075 5506 R HA 0.010 4.350 4.340 0.000 0.000 0.232 5506 R C 2.152 178.457 176.300 0.008 0.000 1.126 5506 R CA 1.921 58.026 56.100 0.009 0.000 0.963 5506 R CB -0.843 29.464 30.300 0.012 0.000 0.858 5506 R HN 0.378 nan 8.270 nan 0.000 0.435 5507 A N 0.200 123.026 122.820 0.011 0.000 1.877 5507 A HA -0.122 4.198 4.320 0.000 0.000 0.216 5507 A C 2.240 179.829 177.584 0.008 0.000 1.186 5507 A CA 1.983 54.027 52.037 0.011 0.000 0.620 5507 A CB -0.952 18.057 19.000 0.015 0.000 0.822 5507 A HN 0.333 nan 8.150 nan 0.000 0.443 5508 V N -2.325 117.593 119.914 0.007 0.000 2.871 5508 V HA -0.129 3.991 4.120 0.000 0.000 0.256 5508 V C 1.926 178.020 176.094 0.001 0.000 1.082 5508 V CA 2.057 64.360 62.300 0.004 0.000 1.105 5508 V CB -0.708 31.117 31.823 0.003 0.000 0.713 5508 V HN 0.542 nan 8.190 nan 0.000 0.473 5509 D N 1.527 121.927 120.400 0.000 0.000 2.123 5509 D HA -0.258 4.382 4.640 0.000 0.000 0.196 5509 D C 1.602 177.901 176.300 -0.001 0.000 0.992 5509 D CA 2.262 56.260 54.000 -0.002 0.000 0.833 5509 D CB -0.068 40.730 40.800 -0.002 0.000 0.954 5509 D HN 0.612 nan 8.370 nan 0.000 0.455 5510 D N -0.034 120.367 120.400 0.002 0.000 2.149 5510 D HA -0.017 4.623 4.640 0.000 0.000 0.201 5510 D C 2.013 178.315 176.300 0.003 0.000 0.972 5510 D CA 1.203 55.205 54.000 0.003 0.000 0.835 5510 D CB -0.239 40.563 40.800 0.005 0.000 0.966 5510 D HN 0.240 nan 8.370 nan 0.000 0.476 5511 A N 0.408 123.231 122.820 0.004 0.000 1.902 5511 A HA -0.144 4.176 4.320 0.000 0.000 0.217 5511 A C 2.335 179.920 177.584 0.001 0.000 1.181 5511 A CA 1.067 53.106 52.037 0.004 0.000 0.623 5511 A CB -0.791 18.212 19.000 0.004 0.000 0.818 5511 A HN 0.149 nan 8.150 nan 0.000 0.443 5512 V N -0.073 119.840 119.914 -0.001 0.000 2.343 5512 V HA -0.183 3.937 4.120 0.000 0.000 0.247 5512 V C 2.805 178.898 176.094 -0.003 0.000 1.051 5512 V CA 1.890 64.188 62.300 -0.004 0.000 1.036 5512 V CB -1.437 30.382 31.823 -0.007 0.000 0.654 5512 V HN 0.618 nan 8.190 nan 0.000 0.451 5513 G N 0.547 109.345 108.800 -0.002 0.000 2.446 5513 G HA2 -0.231 3.729 3.960 0.000 0.000 0.217 5513 G HA3 -0.231 3.729 3.960 0.000 0.000 0.217 5513 G C 1.694 176.594 174.900 0.000 0.000 1.168 5513 G CA 1.672 46.771 45.100 -0.001 0.000 0.771 5513 G HN 0.604 nan 8.290 nan 0.000 0.551 5514 V N -1.723 118.192 119.914 0.001 0.000 2.788 5514 V HA 0.069 4.189 4.120 0.000 0.000 0.251 5514 V C 2.566 178.662 176.094 0.002 0.000 1.068 5514 V CA 1.168 63.469 62.300 0.003 0.000 1.090 5514 V CB -0.180 31.645 31.823 0.005 0.000 0.710 5514 V HN 0.123 nan 8.190 nan 0.000 0.467 5515 V N 1.847 121.762 119.914 0.001 0.000 2.719 5515 V HA 0.077 4.197 4.120 0.000 0.000 0.252 5515 V C 2.783 178.877 176.094 -0.000 0.000 1.065 5515 V CA 1.857 64.157 62.300 0.001 0.000 1.086 5515 V CB -0.819 31.004 31.823 -0.001 0.000 0.700 5515 V HN 0.616 nan 8.190 nan 0.000 0.467 5516 G N -1.233 107.566 108.800 -0.001 0.000 2.421 5516 G HA2 -0.208 3.752 3.960 0.000 0.000 0.217 5516 G HA3 -0.208 3.752 3.960 0.000 0.000 0.217 5516 G C 1.682 176.582 174.900 0.000 0.000 1.143 5516 G CA 1.157 46.256 45.100 -0.001 0.000 0.784 5516 G HN 0.527 nan 8.290 nan 0.000 0.541 5517 C N 0.620 119.920 119.300 0.001 0.000 2.429 5517 C HA -0.013 4.447 4.460 0.000 0.000 0.277 5517 C C 3.184 178.175 174.990 0.002 0.000 1.262 5517 C CA 1.514 60.533 59.018 0.002 0.000 1.733 5517 C CB -0.922 26.819 27.740 0.002 0.000 2.010 5517 C HN 0.414 nan 8.230 nan 0.000 0.483 5518 T N 1.031 115.586 114.554 0.003 0.000 2.915 5518 T HA -0.004 4.346 4.350 0.000 0.000 0.269 5518 T C 1.574 176.276 174.700 0.003 0.000 1.071 5518 T CA 1.061 63.163 62.100 0.003 0.000 1.132 5518 T CB -0.191 68.678 68.868 0.003 0.000 0.878 5518 T HN 0.504 nan 8.240 nan 0.000 0.479 5519 I N 0.525 121.097 120.570 0.003 0.000 2.333 5519 I HA -0.040 4.131 4.170 0.000 0.000 0.246 5519 I C 2.548 178.667 176.117 0.003 0.000 1.106 5519 I CA 1.116 62.418 61.300 0.003 0.000 1.411 5519 I CB -0.161 37.840 38.000 0.003 0.000 1.082 5519 I HN 0.244 nan 8.210 nan 0.000 0.420 5520 E N -0.080 120.122 120.200 0.003 0.000 2.072 5520 E HA -0.141 4.209 4.350 0.000 0.000 0.190 5520 E C 0.508 177.110 176.600 0.003 0.000 0.982 5520 E CA 0.719 57.121 56.400 0.003 0.000 0.803 5520 E CB 0.245 29.947 29.700 0.003 0.000 0.755 5520 E HN 0.191 nan 8.360 nan 0.000 0.453 5521 D N -0.582 119.819 120.400 0.003 0.000 2.454 5521 D HA 0.126 4.766 4.640 0.000 0.000 0.247 5521 D C -0.076 176.226 176.300 0.003 0.000 1.129 5521 D CA -0.301 53.701 54.000 0.003 0.000 0.877 5521 D CB 1.347 42.149 40.800 0.003 0.000 1.082 5521 D HN 0.088 nan 8.370 nan 0.000 0.537 5522 G N 3.210 112.012 108.800 0.003 0.000 3.332 5522 G HA2 0.031 3.991 3.960 0.000 0.000 0.242 5522 G HA3 0.031 3.991 3.960 0.000 0.000 0.242 5522 G C 0.476 175.378 174.900 0.004 0.000 1.276 5522 G CA -0.179 44.923 45.100 0.003 0.000 0.988 5522 G HN 0.204 nan 8.290 nan 0.000 0.517 5523 R N -0.342 120.160 120.500 0.004 0.000 2.562 5523 R HA 0.658 4.998 4.340 0.000 0.000 0.298 5523 R C -0.319 175.985 176.300 0.005 0.000 0.961 5523 R CA -0.639 55.464 56.100 0.005 0.000 0.881 5523 R CB 1.659 31.961 30.300 0.004 0.000 1.159 5523 R HN 0.294 nan 8.270 nan 0.000 0.450 5524 I N -0.917 119.657 120.570 0.007 0.000 3.145 5524 I HA 0.859 5.029 4.170 0.000 0.000 0.313 5524 I C -0.668 175.456 176.117 0.010 0.000 1.122 5524 I CA -1.254 60.050 61.300 0.008 0.000 0.987 5524 I CB 2.249 40.253 38.000 0.008 0.000 1.236 5524 I HN 0.336 nan 8.210 nan 0.000 0.453 5525 V N -0.257 119.665 119.914 0.013 0.000 3.049 5525 V HA 0.826 4.946 4.120 0.000 0.000 0.309 5525 V C 0.018 176.125 176.094 0.021 0.000 1.148 5525 V CA -0.380 61.930 62.300 0.017 0.000 0.990 5525 V CB 1.023 32.856 31.823 0.018 0.000 1.039 5525 V HN 1.178 nan 8.190 nan 0.000 0.430 5526 S N 1.949 117.666 115.700 0.028 0.000 2.576 5526 S HA 0.705 5.175 4.470 0.000 0.000 0.276 5526 S C 0.574 175.192 174.600 0.031 0.000 1.339 5526 S CA 0.178 58.397 58.200 0.032 0.000 1.039 5526 S CB 1.013 64.238 63.200 0.041 0.000 0.902 5526 S HN 1.826 nan 8.310 nan 0.000 0.516 5527 G N 0.147 108.966 108.800 0.031 0.000 2.630 5527 G HA2 0.532 4.492 3.960 0.000 0.000 0.223 5527 G HA3 0.532 4.492 3.960 0.000 0.000 0.223 5527 G C 0.925 175.842 174.900 0.028 0.000 1.434 5527 G CA -0.512 44.604 45.100 0.027 0.000 1.057 5527 G HN 2.055 nan 8.290 nan 0.000 0.570 5528 G N -2.049 106.767 108.800 0.025 0.000 2.153 5528 G HA2 0.221 4.181 3.960 0.000 0.000 0.252 5528 G HA3 0.221 4.181 3.960 0.000 0.000 0.252 5528 G C 1.525 176.423 174.900 -0.003 0.000 0.994 5528 G CA 1.157 46.268 45.100 0.020 0.000 0.698 5528 G HN 2.470 nan 8.290 nan 0.000 0.521 5529 G N -1.158 107.632 108.800 -0.017 0.000 2.168 5529 G HA2 -0.143 3.817 3.960 0.000 0.000 0.263 5529 G HA3 -0.143 3.817 3.960 0.000 0.000 0.263 5529 G C 1.500 176.357 174.900 -0.073 0.000 0.977 5529 G CA 1.767 46.840 45.100 -0.045 0.000 0.659 5529 G HN 1.982 nan 8.290 nan 0.000 0.533 5530 S N 0.087 115.763 115.700 -0.040 0.000 2.382 5530 S HA -0.160 4.311 4.470 0.000 0.000 0.228 5530 S C 2.799 177.336 174.600 -0.105 0.000 1.027 5530 S CA 2.657 60.822 58.200 -0.059 0.000 0.991 5530 S CB -0.593 62.679 63.200 0.120 0.000 0.823 5530 S HN 1.378 nan 8.310 nan 0.000 0.469 5531 T N 0.139 114.676 114.554 -0.027 0.000 2.569 5531 T HA -0.125 4.225 4.350 0.000 0.000 0.263 5531 T C 1.569 176.229 174.700 -0.066 0.000 1.074 5531 T CA 1.679 63.770 62.100 -0.014 0.000 1.176 5531 T CB -1.072 67.793 68.868 -0.004 0.000 0.863 5531 T HN 0.376 nan 8.240 nan 0.000 0.410 5532 E N 0.860 121.012 120.200 -0.080 0.000 2.219 5532 E HA -0.052 4.298 4.350 0.000 0.000 0.198 5532 E C 2.215 178.738 176.600 -0.128 0.000 0.998 5532 E CA 0.741 57.086 56.400 -0.092 0.000 0.818 5532 E CB -0.728 28.914 29.700 -0.096 0.000 0.741 5532 E HN 0.457 nan 8.360 nan 0.000 0.477 5533 V N 0.378 120.162 119.914 -0.216 0.000 2.453 5533 V HA -0.218 3.902 4.120 0.000 0.000 0.247 5533 V C 2.259 178.182 176.094 -0.285 0.000 1.048 5533 V CA 1.824 63.939 62.300 -0.309 0.000 1.049 5533 V CB -0.364 31.144 31.823 -0.524 0.000 0.672 5533 V HN 0.223 nan 8.190 nan 0.000 0.457 5534 E N 0.517 120.555 120.200 -0.269 0.000 2.051 5534 E HA -0.204 4.146 4.350 0.000 0.000 0.192 5534 E C 1.881 178.501 176.600 0.032 0.000 0.991 5534 E CA 1.447 57.882 56.400 0.059 0.000 0.799 5534 E CB -0.324 29.496 29.700 0.201 0.000 0.748 5534 E HN 0.368 nan 8.360 nan 0.000 0.449 5535 L N 0.357 121.578 121.223 -0.003 0.000 2.093 5535 L HA -0.052 4.288 4.340 0.000 0.000 0.208 5535 L C 2.410 179.293 176.870 0.022 0.000 1.085 5535 L CA 1.515 56.362 54.840 0.013 0.000 0.755 5535 L CB -0.879 41.186 42.059 0.010 0.000 0.904 5535 L HN 0.062 nan 8.230 nan 0.000 0.435 5536 S N -1.097 114.598 115.700 -0.009 0.000 2.356 5536 S HA -0.169 4.301 4.470 0.000 0.000 0.223 5536 S C 1.983 176.601 174.600 0.029 0.000 1.032 5536 S CA 1.227 59.428 58.200 0.001 0.000 1.005 5536 S CB -0.183 62.995 63.200 -0.037 0.000 0.867 5536 S HN 0.292 nan 8.310 nan 0.000 0.449 5537 M N 0.993 120.609 119.600 0.027 0.000 2.099 5537 M HA 0.007 4.487 4.480 0.000 0.000 0.262 5537 M C 1.997 178.336 176.300 0.064 0.000 1.067 5537 M CA 1.504 56.833 55.300 0.048 0.000 1.124 5537 M CB -1.167 31.471 32.600 0.064 0.000 1.353 5537 M HN 0.054 nan 8.290 nan 0.000 0.410 5538 K N 0.392 120.830 120.400 0.064 0.000 2.155 5538 K HA 0.073 4.393 4.320 0.000 0.000 0.203 5538 K C 1.960 178.621 176.600 0.101 0.000 1.052 5538 K CA 0.750 57.079 56.287 0.071 0.000 0.948 5538 K CB -0.428 32.101 32.500 0.048 0.000 0.728 5538 K HN 0.268 nan 8.250 nan 0.000 0.448 5539 L N -0.139 121.143 121.223 0.098 0.000 2.240 5539 L HA -0.057 4.283 4.340 0.000 0.000 0.211 5539 L C 2.113 179.094 176.870 0.185 0.000 1.106 5539 L CA 0.849 55.781 54.840 0.153 0.000 0.793 5539 L CB -0.171 41.978 42.059 0.150 0.000 0.927 5539 L HN 0.113 nan 8.230 nan 0.000 0.446 5540 R N 0.141 120.716 120.500 0.125 0.000 2.092 5540 R HA -0.148 4.192 4.340 0.000 0.000 0.231 5540 R C 2.045 178.401 176.300 0.093 0.000 1.119 5540 R CA 1.239 57.399 56.100 0.099 0.000 0.970 5540 R CB -0.171 30.170 30.300 0.068 0.000 0.864 5540 R HN 0.449 nan 8.270 nan 0.000 0.440 5541 E N -0.370 119.892 120.200 0.102 0.000 2.107 5541 E HA -0.200 4.150 4.350 0.000 0.000 0.191 5541 E C 1.581 178.249 176.600 0.113 0.000 0.982 5541 E CA 0.859 57.313 56.400 0.091 0.000 0.809 5541 E CB -0.100 29.652 29.700 0.086 0.000 0.756 5541 E HN 0.298 nan 8.360 nan 0.000 0.459 5542 Y N 1.382 121.695 120.300 0.021 0.000 2.181 5542 Y HA -0.207 4.343 4.550 0.000 0.000 0.288 5542 Y C 2.210 178.119 175.900 0.014 0.000 1.146 5542 Y CA 1.305 59.413 58.100 0.014 0.000 1.164 5542 Y CB -0.396 38.070 38.460 0.010 0.000 0.982 5542 Y HN -0.010 nan 8.280 nan 0.000 0.515 5543 A N -0.140 122.703 122.820 0.037 0.000 1.933 5543 A HA -0.225 4.095 4.320 0.000 0.000 0.218 5543 A C 2.103 179.647 177.584 -0.066 0.000 1.175 5543 A CA 1.886 53.908 52.037 -0.026 0.000 0.628 5543 A CB -0.790 18.246 19.000 0.061 0.000 0.814 5543 A HN 0.502 nan 8.150 nan 0.000 0.444 5544 E N -0.050 120.130 120.200 -0.033 0.000 2.110 5544 E HA -0.076 4.275 4.350 0.000 0.000 0.193 5544 E C 1.932 178.491 176.600 -0.068 0.000 0.988 5544 E CA 1.496 57.877 56.400 -0.032 0.000 0.804 5544 E CB -0.655 29.041 29.700 -0.005 0.000 0.745 5544 E HN 0.444 nan 8.360 nan 0.000 0.458 5545 G N 0.322 109.054 108.800 -0.113 0.000 2.421 5545 G HA2 -0.133 3.827 3.960 0.000 0.000 0.217 5545 G HA3 -0.133 3.827 3.960 0.000 0.000 0.217 5545 G C 1.433 176.220 174.900 -0.187 0.000 1.143 5545 G CA 0.614 45.630 45.100 -0.140 0.000 0.784 5545 G HN 0.201 nan 8.290 nan 0.000 0.541 5546 I N 0.367 120.778 120.570 -0.264 0.000 2.193 5546 I HA 0.005 4.175 4.170 0.000 0.000 0.240 5546 I C 1.704 177.749 176.117 -0.121 0.000 1.084 5546 I CA 1.084 62.244 61.300 -0.234 0.000 1.365 5546 I CB -1.090 36.745 38.000 -0.275 0.000 1.064 5546 I HN 0.298 nan 8.210 nan 0.000 0.410 5547 S N -1.235 114.411 115.700 -0.090 0.000 3.443 5547 S HA -0.117 4.353 4.470 0.000 0.000 0.635 5547 S C 0.766 175.344 174.600 -0.037 0.000 2.555 5547 S CA 1.446 59.615 58.200 -0.051 0.000 2.778 5547 S CB -1.357 61.815 63.200 -0.046 0.000 0.331 5547 S HN 1.427 nan 8.310 nan 0.000 1.765 5548 G N 1.142 109.927 108.800 -0.025 0.000 2.566 5548 G HA2 -0.337 3.623 3.960 0.000 0.000 0.280 5548 G HA3 -0.337 3.623 3.960 0.000 0.000 0.280 5548 G C 0.350 175.245 174.900 -0.007 0.000 1.225 5548 G CA 1.673 46.763 45.100 -0.017 0.000 0.966 5548 G HN 1.869 nan 8.290 nan 0.000 0.560 5549 R N 0.421 120.919 120.500 -0.003 0.000 2.223 5549 R HA 0.322 4.662 4.340 0.000 0.000 0.198 5549 R C 2.044 178.352 176.300 0.013 0.000 0.984 5549 R CA 1.361 57.465 56.100 0.008 0.000 1.018 5549 R CB -0.209 30.099 30.300 0.012 0.000 0.945 5549 R HN 0.640 nan 8.270 nan 0.000 0.479 5550 E N 2.086 122.288 120.200 0.003 0.000 2.204 5550 E HA -0.257 4.093 4.350 0.000 0.000 0.195 5550 E C 1.985 178.598 176.600 0.022 0.000 0.990 5550 E CA 1.616 58.021 56.400 0.008 0.000 0.821 5550 E CB -0.055 29.639 29.700 -0.010 0.000 0.750 5550 E HN 0.653 nan 8.360 nan 0.000 0.477 5551 Q N 0.842 120.646 119.800 0.007 0.000 2.124 5551 Q HA -0.188 4.152 4.340 0.000 0.000 0.202 5551 Q C 2.247 178.280 176.000 0.056 0.000 0.977 5551 Q CA 1.093 56.904 55.803 0.013 0.000 0.850 5551 Q CB -0.319 28.415 28.738 -0.006 0.000 0.901 5551 Q HN 0.223 nan 8.270 nan 0.000 0.429 5552 L N 1.209 122.466 121.223 0.056 0.000 2.083 5552 L HA -0.051 4.289 4.340 0.000 0.000 0.209 5552 L C 2.428 179.375 176.870 0.129 0.000 1.083 5552 L CA 2.026 56.912 54.840 0.076 0.000 0.752 5552 L CB -0.858 41.234 42.059 0.056 0.000 0.899 5552 L HN 0.338 nan 8.230 nan 0.000 0.433 5553 A N -1.349 121.556 122.820 0.141 0.000 1.902 5553 A HA -0.133 4.187 4.320 0.000 0.000 0.217 5553 A C 2.228 180.039 177.584 0.378 0.000 1.181 5553 A CA 1.925 54.115 52.037 0.256 0.000 0.623 5553 A CB -0.972 18.112 19.000 0.141 0.000 0.818 5553 A HN 0.289 nan 8.150 nan 0.000 0.443 5554 V N -0.123 119.934 119.914 0.238 0.000 2.453 5554 V HA -0.213 3.907 4.120 0.000 0.000 0.247 5554 V C 2.582 178.811 176.094 0.224 0.000 1.048 5554 V CA 1.998 64.434 62.300 0.227 0.000 1.049 5554 V CB -0.812 31.119 31.823 0.180 0.000 0.672 5554 V HN 0.508 nan 8.190 nan 0.000 0.457 5555 R N 0.385 120.985 120.500 0.168 0.000 2.081 5555 R HA -0.088 4.252 4.340 0.000 0.000 0.235 5555 R C 2.444 178.821 176.300 0.128 0.000 1.131 5555 R CA 1.493 57.670 56.100 0.128 0.000 0.960 5555 R CB -0.566 29.787 30.300 0.089 0.000 0.856 5555 R HN 0.520 nan 8.270 nan 0.000 0.436 5556 A N 0.564 123.481 122.820 0.163 0.000 1.930 5556 A HA -0.161 4.159 4.320 0.000 0.000 0.217 5556 A C 1.942 179.578 177.584 0.088 0.000 1.175 5556 A CA 0.889 53.012 52.037 0.143 0.000 0.627 5556 A CB -0.557 18.573 19.000 0.216 0.000 0.815 5556 A HN 0.341 nan 8.150 nan 0.000 0.443 5557 F N 0.916 120.836 119.950 -0.051 0.000 2.102 5557 F HA -0.087 4.440 4.527 0.000 0.000 0.298 5557 F C 2.538 178.253 175.800 -0.141 0.000 1.105 5557 F CA 1.333 59.175 58.000 -0.264 0.000 1.239 5557 F CB -0.264 38.549 39.000 -0.310 0.000 0.991 5557 F HN 0.255 nan 8.300 nan 0.000 0.474 5558 A N -0.158 122.755 122.820 0.155 0.000 1.877 5558 A HA -0.198 4.122 4.320 0.000 0.000 0.216 5558 A C 1.933 179.499 177.584 -0.031 0.000 1.186 5558 A CA 2.029 54.112 52.037 0.077 0.000 0.620 5558 A CB -0.982 18.087 19.000 0.116 0.000 0.822 5558 A HN 0.419 nan 8.150 nan 0.000 0.443 5559 D N -0.110 120.277 120.400 -0.021 0.000 2.178 5559 D HA 0.024 4.664 4.640 0.000 0.000 0.202 5559 D C 2.156 178.403 176.300 -0.089 0.000 0.974 5559 D CA 1.265 55.242 54.000 -0.039 0.000 0.841 5559 D CB -0.330 40.466 40.800 -0.008 0.000 0.953 5559 D HN 0.418 nan 8.370 nan 0.000 0.478 5560 A N 0.427 123.158 122.820 -0.148 0.000 1.972 5560 A HA -0.126 4.194 4.320 0.000 0.000 0.219 5560 A C 1.994 179.441 177.584 -0.230 0.000 1.169 5560 A CA 0.772 52.687 52.037 -0.204 0.000 0.635 5560 A CB -0.499 18.316 19.000 -0.308 0.000 0.810 5560 A HN 0.151 nan 8.150 nan 0.000 0.446 5561 L N 0.364 121.428 121.223 -0.265 0.000 2.353 5561 L HA -0.110 4.230 4.340 0.000 0.000 0.220 5561 L C 2.002 178.786 176.870 -0.143 0.000 1.133 5561 L CA 1.339 56.045 54.840 -0.222 0.000 0.798 5561 L CB -0.583 41.354 42.059 -0.204 0.000 0.922 5561 L HN 0.393 nan 8.230 nan 0.000 0.445 5562 E N -1.013 119.117 120.200 -0.117 0.000 2.409 5562 E HA -0.136 4.215 4.350 0.000 0.000 0.198 5562 E C 2.337 178.888 176.600 -0.081 0.000 1.024 5562 E CA 0.663 57.010 56.400 -0.088 0.000 0.861 5562 E CB -0.401 29.258 29.700 -0.068 0.000 0.788 5562 E HN 0.352 nan 8.360 nan 0.000 0.521 5563 V N 1.283 121.142 119.914 -0.092 0.000 2.568 5563 V HA -0.231 3.889 4.120 0.000 0.000 0.253 5563 V C 1.889 177.941 176.094 -0.070 0.000 1.072 5563 V CA 1.023 63.276 62.300 -0.077 0.000 1.084 5563 V CB -0.273 31.499 31.823 -0.085 0.000 0.676 5563 V HN 0.127 nan 8.190 nan 0.000 0.469 5564 I N 1.364 121.888 120.570 -0.077 0.000 2.133 5564 I HA -0.051 4.119 4.170 0.000 0.000 0.238 5564 I C 0.227 176.310 176.117 -0.058 0.000 1.074 5564 I CA 1.788 63.047 61.300 -0.067 0.000 1.342 5564 I CB -2.910 35.048 38.000 -0.070 0.000 1.053 5564 I HN 0.348 nan 8.210 nan 0.000 0.404 5565 P HA -0.145 nan 4.420 nan 0.000 0.221 5565 P C 1.750 179.022 177.300 -0.047 0.000 1.150 5565 P CA 1.388 64.458 63.100 -0.051 0.000 0.800 5565 P CB -0.130 31.538 31.700 -0.053 0.000 0.787 5566 R N -0.055 120.416 120.500 -0.049 0.000 2.066 5566 R HA -0.050 4.290 4.340 0.000 0.000 0.232 5566 R C 1.977 178.252 176.300 -0.043 0.000 1.131 5566 R CA 1.915 57.989 56.100 -0.043 0.000 0.955 5566 R CB -0.690 29.584 30.300 -0.043 0.000 0.851 5566 R HN 0.052 nan 8.270 nan 0.000 0.432 5567 T N 1.327 115.853 114.554 -0.047 0.000 2.942 5567 T HA 0.016 4.366 4.350 0.000 0.000 0.265 5567 T C 1.774 176.444 174.700 -0.050 0.000 1.062 5567 T CA 0.760 62.832 62.100 -0.046 0.000 1.139 5567 T CB -0.015 68.825 68.868 -0.046 0.000 0.883 5567 T HN 0.142 nan 8.240 nan 0.000 0.468 5568 L N 0.920 122.111 121.223 -0.054 0.000 2.042 5568 L HA -0.136 4.204 4.340 0.000 0.000 0.210 5568 L C 3.003 179.833 176.870 -0.067 0.000 1.076 5568 L CA 1.385 56.187 54.840 -0.063 0.000 0.749 5568 L CB -0.614 41.409 42.059 -0.060 0.000 0.893 5568 L HN 0.250 nan 8.230 nan 0.000 0.432 5569 A N -0.509 122.278 122.820 -0.055 0.000 1.929 5569 A HA -0.185 4.136 4.320 0.000 0.000 0.216 5569 A C 2.169 179.724 177.584 -0.049 0.000 1.176 5569 A CA 1.335 53.342 52.037 -0.051 0.000 0.628 5569 A CB -0.359 18.617 19.000 -0.040 0.000 0.816 5569 A HN 0.415 nan 8.150 nan 0.000 0.444 5570 E N 0.035 120.209 120.200 -0.044 0.000 2.058 5570 E HA -0.194 4.157 4.350 0.000 0.000 0.194 5570 E C 1.644 178.217 176.600 -0.044 0.000 0.997 5570 E CA 1.297 57.673 56.400 -0.040 0.000 0.801 5570 E CB -0.173 29.506 29.700 -0.036 0.000 0.746 5570 E HN 0.530 nan 8.360 nan 0.000 0.450 5571 N N 0.284 118.953 118.700 -0.052 0.000 2.309 5571 N HA -0.084 4.656 4.740 0.000 0.000 0.182 5571 N C 1.450 176.917 175.510 -0.071 0.000 1.018 5571 N CA 1.058 54.073 53.050 -0.058 0.000 0.876 5571 N CB -0.132 38.318 38.487 -0.062 0.000 0.972 5571 N HN 0.109 nan 8.380 nan 0.000 0.434 5572 A N -0.022 122.749 122.820 -0.082 0.000 2.067 5572 A HA 0.320 4.640 4.320 0.000 0.000 0.217 5572 A C 1.463 179.008 177.584 -0.066 0.000 1.156 5572 A CA 1.060 53.039 52.037 -0.096 0.000 0.683 5572 A CB -0.412 18.520 19.000 -0.114 0.000 0.808 5572 A HN 0.310 nan 8.150 nan 0.000 0.455 5573 G N -1.148 107.621 108.800 -0.051 0.000 2.171 5573 G HA2 -0.182 3.778 3.960 0.000 0.000 0.238 5573 G HA3 -0.182 3.778 3.960 0.000 0.000 0.238 5573 G C -0.060 174.821 174.900 -0.031 0.000 1.039 5573 G CA 0.317 45.395 45.100 -0.037 0.000 0.759 5573 G HN 0.447 nan 8.290 nan 0.000 0.501 5574 L N -0.090 121.112 121.223 -0.034 0.000 2.375 5574 L HA 0.484 4.824 4.340 0.000 0.000 0.268 5574 L C 0.477 177.334 176.870 -0.023 0.000 1.058 5574 L CA -1.075 53.749 54.840 -0.027 0.000 0.803 5574 L CB 0.931 42.972 42.059 -0.031 0.000 1.212 5574 L HN 0.113 nan 8.230 nan 0.000 0.451 5575 D N 1.054 121.444 120.400 -0.017 0.000 2.342 5575 D HA 0.119 4.759 4.640 0.000 0.000 0.260 5575 D C 0.739 177.029 176.300 -0.016 0.000 1.278 5575 D CA 0.117 54.108 54.000 -0.014 0.000 0.910 5575 D CB 1.735 42.529 40.800 -0.010 0.000 1.079 5575 D HN 0.632 nan 8.370 nan 0.000 0.496 5576 A N 5.461 128.270 122.820 -0.018 0.000 1.908 5576 A HA -0.196 4.125 4.320 0.000 0.000 0.218 5576 A C 2.158 179.733 177.584 -0.016 0.000 1.181 5576 A CA 0.863 52.888 52.037 -0.020 0.000 0.627 5576 A CB -0.270 18.717 19.000 -0.022 0.000 0.818 5576 A HN 0.705 nan 8.150 nan 0.000 0.445 5577 I N -0.163 120.399 120.570 -0.013 0.000 2.179 5577 I HA -0.213 3.957 4.170 0.000 0.000 0.242 5577 I C 2.452 178.565 176.117 -0.007 0.000 1.088 5577 I CA 1.869 63.164 61.300 -0.010 0.000 1.357 5577 I CB -1.462 36.534 38.000 -0.007 0.000 1.051 5577 I HN 0.601 nan 8.210 nan 0.000 0.409 5578 E N 1.484 121.680 120.200 -0.006 0.000 2.051 5578 E HA -0.228 4.122 4.350 0.000 0.000 0.192 5578 E C 2.342 178.941 176.600 -0.002 0.000 0.991 5578 E CA 1.794 58.192 56.400 -0.003 0.000 0.799 5578 E CB -0.109 29.589 29.700 -0.003 0.000 0.748 5578 E HN 0.610 nan 8.360 nan 0.000 0.449 5579 I N -1.416 119.151 120.570 -0.005 0.000 2.439 5579 I HA -0.163 4.007 4.170 0.000 0.000 0.251 5579 I C 2.226 178.339 176.117 -0.006 0.000 1.139 5579 I CA 0.873 62.170 61.300 -0.005 0.000 1.438 5579 I CB -0.340 37.654 38.000 -0.010 0.000 1.085 5579 I HN 0.073 nan 8.210 nan 0.000 0.427 5580 L N 0.780 121.996 121.223 -0.010 0.000 2.093 5580 L HA -0.110 4.230 4.340 0.000 0.000 0.208 5580 L C 2.681 179.548 176.870 -0.005 0.000 1.085 5580 L CA 0.810 55.642 54.840 -0.013 0.000 0.755 5580 L CB -0.404 41.645 42.059 -0.017 0.000 0.904 5580 L HN 0.168 nan 8.230 nan 0.000 0.435 5581 V N -0.267 119.646 119.914 -0.001 0.000 2.323 5581 V HA -0.231 3.889 4.120 0.000 0.000 0.244 5581 V C 2.377 178.478 176.094 0.012 0.000 1.041 5581 V CA 1.650 63.953 62.300 0.005 0.000 1.025 5581 V CB -0.382 31.444 31.823 0.005 0.000 0.656 5581 V HN 0.384 nan 8.190 nan 0.000 0.451 5582 K N -0.369 120.038 120.400 0.011 0.000 2.103 5582 K HA -0.047 4.273 4.320 0.000 0.000 0.204 5582 K C 2.046 178.662 176.600 0.026 0.000 1.052 5582 K CA 1.006 57.303 56.287 0.017 0.000 0.945 5582 K CB -0.187 32.321 32.500 0.013 0.000 0.722 5582 K HN 0.292 nan 8.250 nan 0.000 0.443 5583 V N 1.186 121.114 119.914 0.023 0.000 2.323 5583 V HA -0.176 3.944 4.120 0.000 0.000 0.244 5583 V C 2.357 178.485 176.094 0.057 0.000 1.041 5583 V CA 1.461 63.782 62.300 0.035 0.000 1.025 5583 V CB -0.394 31.436 31.823 0.012 0.000 0.656 5583 V HN 0.270 nan 8.190 nan 0.000 0.451 5584 R N 0.092 120.610 120.500 0.030 0.000 2.081 5584 R HA -0.165 4.175 4.340 0.000 0.000 0.235 5584 R C 2.292 178.640 176.300 0.080 0.000 1.131 5584 R CA 1.722 57.844 56.100 0.037 0.000 0.960 5584 R CB -0.412 29.894 30.300 0.009 0.000 0.856 5584 R HN 0.500 nan 8.270 nan 0.000 0.436 5585 A N 0.492 123.345 122.820 0.055 0.000 1.873 5585 A HA -0.050 4.270 4.320 0.000 0.000 0.215 5585 A C 2.316 179.932 177.584 0.054 0.000 1.186 5585 A CA 1.538 53.604 52.037 0.049 0.000 0.616 5585 A CB -0.753 18.265 19.000 0.031 0.000 0.823 5585 A HN 0.506 nan 8.150 nan 0.000 0.442 5586 A N -0.986 121.868 122.820 0.056 0.000 1.933 5586 A HA -0.148 4.172 4.320 0.000 0.000 0.218 5586 A C 1.984 179.600 177.584 0.053 0.000 1.175 5586 A CA 2.070 54.135 52.037 0.046 0.000 0.628 5586 A CB -0.847 18.178 19.000 0.042 0.000 0.814 5586 A HN 0.806 nan 8.150 nan 0.000 0.444 5587 H N -0.113 118.960 119.070 0.005 0.000 2.293 5587 H HA 0.049 4.605 4.556 0.000 0.000 0.300 5587 H C 2.180 177.511 175.328 0.005 0.000 1.082 5587 H CA 2.061 58.112 56.048 0.005 0.000 1.308 5587 H CB -0.246 29.519 29.762 0.004 0.000 1.375 5587 H HN 0.367 nan 8.280 nan 0.000 0.495 5588 A N -0.540 122.336 122.820 0.094 0.000 1.940 5588 A HA -0.187 4.133 4.320 0.000 0.000 0.219 5588 A C 2.582 180.147 177.584 -0.032 0.000 1.176 5588 A CA 2.009 54.073 52.037 0.045 0.000 0.631 5588 A CB -1.066 17.987 19.000 0.088 0.000 0.814 5588 A HN 0.529 nan 8.150 nan 0.000 0.446 5589 S N -0.492 115.193 115.700 -0.024 0.000 2.341 5589 S HA -0.087 4.383 4.470 0.000 0.000 0.216 5589 S C 1.859 176.428 174.600 -0.051 0.000 1.034 5589 S CA 1.063 59.247 58.200 -0.027 0.000 0.964 5589 S CB -0.406 62.790 63.200 -0.008 0.000 0.882 5589 S HN 0.598 nan 8.310 nan 0.000 0.469 5590 N N 1.159 119.824 118.700 -0.058 0.000 2.396 5590 N HA 0.215 4.955 4.740 0.000 0.000 0.180 5590 N C 1.074 176.522 175.510 -0.104 0.000 1.028 5590 N CA 1.000 54.012 53.050 -0.062 0.000 0.893 5590 N CB -0.073 38.391 38.487 -0.038 0.000 0.967 5590 N HN 0.623 nan 8.380 nan 0.000 0.440 5591 G N 0.362 109.042 108.800 -0.200 0.000 2.396 5591 G HA2 -0.227 3.733 3.960 0.000 0.000 0.254 5591 G HA3 -0.227 3.733 3.960 0.000 0.000 0.254 5591 G C 0.014 174.671 174.900 -0.406 0.000 1.248 5591 G CA 0.042 44.981 45.100 -0.268 0.000 1.033 5591 G HN 0.253 nan 8.290 nan 0.000 0.502 5592 N N -0.478 118.081 118.700 -0.234 0.000 2.414 5592 N HA 0.028 4.768 4.740 0.000 0.000 0.177 5592 N C 1.503 177.018 175.510 0.008 0.000 1.062 5592 N CA 0.755 53.769 53.050 -0.060 0.000 0.890 5592 N CB 0.036 38.554 38.487 0.052 0.000 1.070 5592 N HN 0.296 nan 8.380 nan 0.000 0.454 5593 K N 0.004 120.392 120.400 -0.019 0.000 2.404 5593 K HA 0.156 4.476 4.320 0.000 0.000 0.194 5593 K C -0.249 176.348 176.600 -0.005 0.000 1.023 5593 K CA 0.064 56.349 56.287 -0.003 0.000 1.094 5593 K CB 0.034 32.529 32.500 -0.007 0.000 0.841 5593 K HN 0.093 nan 8.250 nan 0.000 0.523 5594 C N 0.158 119.449 119.300 -0.015 0.000 3.517 5594 C HA 0.820 5.280 4.460 0.000 0.000 0.202 5594 C C -0.264 174.726 174.990 0.000 0.000 1.370 5594 C CA -0.167 58.845 59.018 -0.009 0.000 1.308 5594 C CB -1.398 26.328 27.740 -0.024 0.000 1.840 5594 C HN 0.450 nan 8.230 nan 0.000 0.525 5595 A N 1.296 124.138 122.820 0.037 0.000 5.650 5595 A HA 0.954 5.275 4.320 0.000 0.000 0.194 5595 A C 0.427 178.059 177.584 0.080 0.000 0.895 5595 A CA 0.473 52.554 52.037 0.075 0.000 0.804 5595 A CB -0.380 18.711 19.000 0.151 0.000 2.103 5595 A HN 2.342 nan 8.150 nan 0.000 1.022 5596 G N -1.866 106.997 108.800 0.104 0.000 2.846 5596 G HA2 0.341 4.302 3.960 0.000 0.000 0.660 5596 G HA3 0.341 4.302 3.960 0.000 0.000 0.660 5596 G C -0.624 174.303 174.900 0.045 0.000 1.464 5596 G CA 0.044 45.182 45.100 0.064 0.000 0.891 5596 G HN 2.105 nan 8.290 nan 0.000 0.552 5597 L N 0.917 122.157 121.223 0.029 0.000 2.289 5597 L HA 0.620 4.960 4.340 0.000 0.000 0.285 5597 L C 0.521 177.413 176.870 0.037 0.000 1.049 5597 L CA -0.771 54.083 54.840 0.023 0.000 0.804 5597 L CB 1.403 43.463 42.059 0.001 0.000 1.195 5597 L HN 0.731 nan 8.230 nan 0.000 0.428 5598 N N 4.067 122.797 118.700 0.051 0.000 2.485 5598 N HA 0.125 4.865 4.740 0.000 0.000 0.243 5598 N C 0.907 176.452 175.510 0.059 0.000 0.987 5598 N CA -0.154 52.952 53.050 0.094 0.000 0.940 5598 N CB 1.402 39.959 38.487 0.117 0.000 1.122 5598 N HN 0.713 nan 8.380 nan 0.000 0.509 5599 V N 2.080 121.988 119.914 -0.010 0.000 2.970 5599 V HA -0.041 4.079 4.120 0.000 0.000 0.260 5599 V C 1.410 177.400 176.094 -0.173 0.000 1.100 5599 V CA 1.013 63.232 62.300 -0.135 0.000 1.122 5599 V CB -1.079 30.591 31.823 -0.254 0.000 0.721 5599 V HN 0.475 nan 8.190 nan 0.000 0.483 5600 F N 2.472 122.420 119.950 -0.002 0.000 2.259 5600 F HA -0.021 4.506 4.527 0.000 0.000 0.298 5600 F C 2.659 178.458 175.800 -0.001 0.000 1.088 5600 F CA 1.779 59.778 58.000 -0.002 0.000 1.358 5600 F CB -0.333 38.666 39.000 -0.001 0.000 1.040 5600 F HN 0.378 nan 8.300 nan 0.000 0.505 5601 T N -4.105 110.551 114.554 0.170 0.000 3.001 5601 T HA 0.375 4.725 4.350 0.000 0.000 0.251 5601 T C 1.482 176.211 174.700 0.048 0.000 1.040 5601 T CA 0.415 62.570 62.100 0.092 0.000 0.985 5601 T CB 0.327 69.241 68.868 0.076 0.000 1.011 5601 T HN 0.343 nan 8.240 nan 0.000 0.509 5602 G N 1.100 109.919 108.800 0.033 0.000 2.248 5602 G HA2 0.273 4.233 3.960 0.000 0.000 0.263 5602 G HA3 0.273 4.233 3.960 0.000 0.000 0.263 5602 G C 0.060 174.966 174.900 0.010 0.000 1.082 5602 G CA -0.226 44.877 45.100 0.005 0.000 0.863 5602 G HN 1.424 nan 8.290 nan 0.000 0.495 5603 A N -1.661 121.170 122.820 0.020 0.000 2.608 5603 A HA 0.881 5.201 4.320 0.000 0.000 0.292 5603 A C 0.035 177.634 177.584 0.026 0.000 1.066 5603 A CA 0.129 52.178 52.037 0.019 0.000 0.676 5603 A CB 1.389 20.401 19.000 0.021 0.000 1.277 5603 A HN 1.802 nan 8.150 nan 0.000 0.413 5604 V N 1.668 121.596 119.914 0.023 0.000 2.673 5604 V HA 0.406 4.527 4.120 0.000 0.000 0.303 5604 V C 0.020 176.134 176.094 0.032 0.000 1.046 5604 V CA 1.025 63.342 62.300 0.029 0.000 1.126 5604 V CB 0.443 32.283 31.823 0.029 0.000 0.934 5604 V HN 0.914 nan 8.190 nan 0.000 0.487 5605 E N 3.827 124.050 120.200 0.038 0.000 2.359 5605 E HA 0.372 4.723 4.350 0.000 0.000 0.223 5605 E C -1.475 175.146 176.600 0.035 0.000 0.877 5605 E CA -0.654 55.767 56.400 0.035 0.000 0.887 5605 E CB 0.828 30.553 29.700 0.041 0.000 1.890 5605 E HN 0.707 nan 8.360 nan 0.000 0.419 5606 D N 1.235 121.653 120.400 0.029 0.000 2.472 5606 D HA 0.192 4.833 4.640 0.000 0.000 0.234 5606 D C 0.833 177.150 176.300 0.028 0.000 1.088 5606 D CA -0.274 53.742 54.000 0.025 0.000 0.882 5606 D CB 0.578 41.387 40.800 0.015 0.000 1.037 5606 D HN 0.186 nan 8.370 nan 0.000 0.520 5607 M N 1.744 121.367 119.600 0.037 0.000 2.117 5607 M HA -0.142 4.338 4.480 0.000 0.000 0.262 5607 M C 2.310 178.626 176.300 0.027 0.000 1.065 5607 M CA 0.819 56.143 55.300 0.039 0.000 1.114 5607 M CB -1.158 31.470 32.600 0.047 0.000 1.361 5607 M HN 0.549 nan 8.290 nan 0.000 0.408 5608 C N 0.601 119.915 119.300 0.023 0.000 2.432 5608 C HA -0.184 4.276 4.460 0.000 0.000 0.277 5608 C C 2.732 177.726 174.990 0.008 0.000 1.249 5608 C CA 1.620 60.647 59.018 0.015 0.000 1.725 5608 C CB -0.871 26.877 27.740 0.013 0.000 2.028 5608 C HN 0.600 nan 8.230 nan 0.000 0.477 5609 E N 1.122 121.325 120.200 0.007 0.000 2.110 5609 E HA -0.139 4.211 4.350 0.000 0.000 0.193 5609 E C 1.609 178.207 176.600 -0.002 0.000 0.988 5609 E CA 1.569 57.970 56.400 0.001 0.000 0.804 5609 E CB -0.420 29.280 29.700 0.002 0.000 0.745 5609 E HN 0.624 nan 8.360 nan 0.000 0.458 5610 N N -0.336 118.364 118.700 0.000 0.000 2.461 5610 N HA 0.055 4.795 4.740 0.000 0.000 0.188 5610 N C 0.623 176.124 175.510 -0.015 0.000 1.134 5610 N CA 0.944 53.989 53.050 -0.009 0.000 0.878 5610 N CB 0.554 39.039 38.487 -0.002 0.000 0.972 5610 N HN 0.319 nan 8.380 nan 0.000 0.456 5611 G N -0.083 108.714 108.800 -0.006 0.000 2.153 5611 G HA2 -0.265 3.695 3.960 0.000 0.000 0.252 5611 G HA3 -0.265 3.695 3.960 0.000 0.000 0.252 5611 G C -0.050 174.851 174.900 0.001 0.000 0.994 5611 G CA 0.184 45.280 45.100 -0.006 0.000 0.698 5611 G HN 0.207 nan 8.290 nan 0.000 0.521 5612 V N 1.465 121.387 119.914 0.013 0.000 2.222 5612 V HA 0.486 4.607 4.120 0.000 0.000 0.253 5612 V C 0.788 176.899 176.094 0.028 0.000 1.210 5612 V CA 0.120 62.438 62.300 0.030 0.000 1.079 5612 V CB 0.461 32.315 31.823 0.052 0.000 1.265 5612 V HN 1.046 nan 8.190 nan 0.000 0.494 5613 V N 1.565 121.492 119.914 0.021 0.000 2.876 5613 V HA 0.901 5.021 4.120 0.000 0.000 0.312 5613 V C -0.631 175.473 176.094 0.017 0.000 1.085 5613 V CA -0.711 61.600 62.300 0.019 0.000 0.945 5613 V CB 2.490 34.321 31.823 0.014 0.000 1.017 5613 V HN 0.657 nan 8.190 nan 0.000 0.428 5614 E N 2.367 122.577 120.200 0.015 0.000 2.336 5614 E HA 0.653 5.004 4.350 0.000 0.000 0.267 5614 E C -3.234 173.372 176.600 0.010 0.000 0.906 5614 E CA -2.432 53.975 56.400 0.012 0.000 0.781 5614 E CB 2.090 31.797 29.700 0.012 0.000 1.261 5614 E HN 0.464 nan 8.360 nan 0.000 0.436 5615 P HA -0.026 nan 4.420 nan 0.000 0.266 5615 P C 0.892 178.196 177.300 0.006 0.000 1.195 5615 P CA -0.303 62.801 63.100 0.006 0.000 0.768 5615 P CB 0.444 32.147 31.700 0.005 0.000 0.838 5616 L N 4.034 125.260 121.223 0.006 0.000 2.079 5616 L HA -0.206 4.135 4.340 0.000 0.000 0.210 5616 L C 2.087 178.960 176.870 0.004 0.000 1.081 5616 L CA 1.947 56.790 54.840 0.006 0.000 0.752 5616 L CB -0.617 41.445 42.059 0.005 0.000 0.896 5616 L HN 0.242 nan 8.230 nan 0.000 0.433 5617 R N -0.532 119.971 120.500 0.004 0.000 2.117 5617 R HA -0.129 4.211 4.340 0.000 0.000 0.243 5617 R C 2.231 178.533 176.300 0.003 0.000 1.143 5617 R CA 1.557 57.660 56.100 0.004 0.000 0.968 5617 R CB -1.365 28.937 30.300 0.003 0.000 0.863 5617 R HN 0.389 nan 8.270 nan 0.000 0.444 5618 V N 1.652 121.568 119.914 0.003 0.000 2.287 5618 V HA -0.239 3.881 4.120 0.000 0.000 0.248 5618 V C 2.393 178.486 176.094 -0.001 0.000 1.053 5618 V CA 1.754 64.055 62.300 0.001 0.000 1.027 5618 V CB -0.300 31.524 31.823 0.002 0.000 0.646 5618 V HN 0.212 nan 8.190 nan 0.000 0.447 5619 K N -0.715 119.685 120.400 -0.000 0.000 2.137 5619 K HA -0.038 4.282 4.320 0.000 0.000 0.202 5619 K C 2.291 178.892 176.600 0.001 0.000 1.052 5619 K CA 1.500 57.786 56.287 -0.002 0.000 0.961 5619 K CB -0.664 31.835 32.500 -0.002 0.000 0.741 5619 K HN 0.458 nan 8.250 nan 0.000 0.452 5620 T N 0.712 115.269 114.554 0.004 0.000 2.942 5620 T HA -0.119 4.232 4.350 0.000 0.000 0.265 5620 T C 1.823 176.529 174.700 0.009 0.000 1.062 5620 T CA 1.204 63.309 62.100 0.007 0.000 1.139 5620 T CB 0.174 69.046 68.868 0.006 0.000 0.883 5620 T HN 0.071 nan 8.240 nan 0.000 0.468 5621 Q N 0.640 120.444 119.800 0.007 0.000 2.137 5621 Q HA 0.316 4.656 4.340 0.000 0.000 0.198 5621 Q C 2.210 178.215 176.000 0.008 0.000 0.960 5621 Q CA 1.535 57.343 55.803 0.008 0.000 0.847 5621 Q CB -0.687 28.054 28.738 0.005 0.000 0.915 5621 Q HN 0.514 nan 8.270 nan 0.000 0.448 5622 A N 0.750 123.572 122.820 0.003 0.000 1.865 5622 A HA -0.161 4.160 4.320 0.000 0.000 0.217 5622 A C 1.932 179.519 177.584 0.004 0.000 1.191 5622 A CA 1.628 53.664 52.037 -0.002 0.000 0.623 5622 A CB -0.763 18.230 19.000 -0.011 0.000 0.826 5622 A HN 0.450 nan 8.150 nan 0.000 0.444 5623 I N -0.242 120.335 120.570 0.012 0.000 2.286 5623 I HA -0.191 3.979 4.170 0.000 0.000 0.248 5623 I C 2.659 178.808 176.117 0.053 0.000 1.115 5623 I CA 1.199 62.521 61.300 0.037 0.000 1.392 5623 I CB -1.357 36.672 38.000 0.048 0.000 1.065 5623 I HN 0.396 nan 8.210 nan 0.000 0.418 5624 Q N 0.536 120.357 119.800 0.035 0.000 1.965 5624 Q HA -0.115 4.225 4.340 0.000 0.000 0.200 5624 Q C 2.485 178.507 176.000 0.037 0.000 0.981 5624 Q CA 1.765 57.588 55.803 0.033 0.000 0.834 5624 Q CB -0.426 28.324 28.738 0.021 0.000 0.900 5624 Q HN 0.372 nan 8.270 nan 0.000 0.426 5625 S N 0.986 116.703 115.700 0.027 0.000 2.368 5625 S HA -0.117 4.354 4.470 0.000 0.000 0.225 5625 S C 1.951 176.571 174.600 0.033 0.000 1.030 5625 S CA 1.050 59.266 58.200 0.026 0.000 0.999 5625 S CB -0.235 62.975 63.200 0.017 0.000 0.844 5625 S HN 0.492 nan 8.310 nan 0.000 0.459 5626 A N 1.566 124.404 122.820 0.031 0.000 1.873 5626 A HA 0.136 4.456 4.320 0.000 0.000 0.215 5626 A C 2.362 179.986 177.584 0.066 0.000 1.186 5626 A CA 1.678 53.734 52.037 0.032 0.000 0.616 5626 A CB -1.117 17.886 19.000 0.006 0.000 0.823 5626 A HN 0.509 nan 8.150 nan 0.000 0.442 5627 A N -0.618 122.260 122.820 0.096 0.000 1.902 5627 A HA -0.130 4.190 4.320 0.000 0.000 0.217 5627 A C 1.991 179.656 177.584 0.136 0.000 1.181 5627 A CA 1.706 53.841 52.037 0.163 0.000 0.623 5627 A CB -0.375 18.737 19.000 0.186 0.000 0.818 5627 A HN 0.449 nan 8.150 nan 0.000 0.443 5628 E N -0.501 119.752 120.200 0.089 0.000 2.072 5628 E HA -0.088 4.262 4.350 0.000 0.000 0.190 5628 E C 2.309 178.948 176.600 0.065 0.000 0.982 5628 E CA 1.234 57.676 56.400 0.070 0.000 0.803 5628 E CB -0.488 29.240 29.700 0.047 0.000 0.755 5628 E HN 0.519 nan 8.360 nan 0.000 0.453 5629 S N -0.114 115.620 115.700 0.058 0.000 2.387 5629 S HA -0.083 4.387 4.470 0.000 0.000 0.226 5629 S C 1.998 176.633 174.600 0.059 0.000 1.026 5629 S CA 1.431 59.660 58.200 0.048 0.000 0.972 5629 S CB -0.106 63.115 63.200 0.036 0.000 0.814 5629 S HN 0.194 nan 8.310 nan 0.000 0.477 5630 T N 1.506 116.109 114.554 0.082 0.000 2.708 5630 T HA -0.094 4.256 4.350 0.000 0.000 0.266 5630 T C 1.750 176.533 174.700 0.137 0.000 1.037 5630 T CA 1.580 63.747 62.100 0.111 0.000 1.146 5630 T CB -0.372 68.581 68.868 0.141 0.000 0.865 5630 T HN 0.578 nan 8.240 nan 0.000 0.435 5631 E N 0.520 120.816 120.200 0.159 0.000 2.106 5631 E HA -0.113 4.237 4.350 0.000 0.000 0.192 5631 E C 2.216 178.854 176.600 0.064 0.000 0.984 5631 E CA 0.784 57.262 56.400 0.131 0.000 0.806 5631 E CB -0.184 29.599 29.700 0.138 0.000 0.750 5631 E HN 0.471 nan 8.360 nan 0.000 0.458 5632 M N 0.191 119.825 119.600 0.057 0.000 2.086 5632 M HA -0.196 4.284 4.480 0.000 0.000 0.261 5632 M C 1.790 178.105 176.300 0.025 0.000 1.067 5632 M CA 1.235 56.556 55.300 0.035 0.000 1.116 5632 M CB -0.004 32.615 32.600 0.033 0.000 1.348 5632 M HN 0.186 nan 8.290 nan 0.000 0.407 5633 L N 0.791 122.032 121.223 0.029 0.000 2.042 5633 L HA -0.173 4.167 4.340 0.000 0.000 0.210 5633 L C 2.239 179.112 176.870 0.006 0.000 1.076 5633 L CA 1.749 56.598 54.840 0.016 0.000 0.749 5633 L CB -1.070 41.002 42.059 0.020 0.000 0.893 5633 L HN 0.401 nan 8.230 nan 0.000 0.432 5634 L N -1.466 119.765 121.223 0.013 0.000 2.201 5634 L HA -0.153 4.187 4.340 0.000 0.000 0.212 5634 L C 2.480 179.337 176.870 -0.023 0.000 1.105 5634 L CA 0.745 55.577 54.840 -0.014 0.000 0.775 5634 L CB -0.387 41.654 42.059 -0.030 0.000 0.913 5634 L HN 0.214 nan 8.230 nan 0.000 0.440 5635 R N -0.075 120.422 120.500 -0.006 0.000 2.193 5635 R HA 0.102 4.442 4.340 0.000 0.000 0.213 5635 R C 0.536 176.834 176.300 -0.003 0.000 1.055 5635 R CA 0.316 56.414 56.100 -0.003 0.000 0.995 5635 R CB -0.042 30.263 30.300 0.008 0.000 0.893 5635 R HN 0.254 nan 8.270 nan 0.000 0.459 5636 I N 2.582 123.150 120.570 -0.003 0.000 2.471 5636 I HA -0.047 4.123 4.170 0.000 0.000 0.286 5636 I C 0.409 176.520 176.117 -0.009 0.000 1.079 5636 I CA 0.050 61.348 61.300 -0.003 0.000 1.398 5636 I CB 0.990 38.988 38.000 -0.003 0.000 1.403 5636 I HN 0.134 nan 8.210 nan 0.000 0.530 5637 D N 3.003 123.401 120.400 -0.003 0.000 2.469 5637 D HA 0.127 4.767 4.640 0.000 0.000 0.215 5637 D C -0.286 176.021 176.300 0.011 0.000 1.154 5637 D CA -0.040 53.957 54.000 -0.005 0.000 0.832 5637 D CB 0.387 41.179 40.800 -0.012 0.000 1.008 5637 D HN 0.355 nan 8.370 nan 0.000 0.506 5638 D N 0.058 120.471 120.400 0.022 0.000 2.688 5638 D HA 0.248 4.888 4.640 0.000 0.000 0.210 5638 D C -1.711 174.620 176.300 0.051 0.000 1.333 5638 D CA -0.471 53.552 54.000 0.038 0.000 0.920 5638 D CB 1.930 42.745 40.800 0.025 0.000 1.554 5638 D HN -0.170 nan 8.370 nan 0.000 0.579 5639 V N 4.266 124.238 119.914 0.096 0.000 2.444 5639 V HA 0.556 4.677 4.120 0.000 0.000 0.294 5639 V C -0.122 176.058 176.094 0.143 0.000 1.022 5639 V CA -0.668 61.703 62.300 0.118 0.000 0.850 5639 V CB 1.481 33.381 31.823 0.130 0.000 0.992 5639 V HN 0.431 nan 8.190 nan 0.000 0.426 5640 I N 4.574 125.197 120.570 0.089 0.000 2.390 5640 I HA 0.772 4.942 4.170 0.000 0.000 0.283 5640 I C 0.292 176.448 176.117 0.066 0.000 1.016 5640 I CA -0.054 61.282 61.300 0.060 0.000 1.151 5640 I CB 1.631 39.650 38.000 0.031 0.000 1.293 5640 I HN 0.684 nan 8.210 nan 0.000 0.458 5641 A N 4.343 127.210 122.820 0.079 0.000 2.401 5641 A HA 0.949 5.269 4.320 0.000 0.000 0.310 5641 A C -0.061 177.553 177.584 0.052 0.000 1.075 5641 A CA -0.684 51.402 52.037 0.082 0.000 0.746 5641 A CB 1.245 20.327 19.000 0.138 0.000 1.277 5641 A HN 0.748 nan 8.150 nan 0.000 0.425 5642 A N 0.742 123.589 122.820 0.044 0.000 2.448 5642 A HA 0.428 4.748 4.320 0.000 0.000 0.239 5642 A C 0.844 178.447 177.584 0.032 0.000 1.080 5642 A CA 0.012 52.066 52.037 0.029 0.000 0.779 5642 A CB -0.016 19.000 19.000 0.026 0.000 1.026 5642 A HN 0.923 nan 8.150 nan 0.000 0.499 5643 E N 0.000 120.211 120.200 0.019 0.000 2.725 5643 E HA 0.000 4.350 4.350 0.000 0.000 0.291 5643 E CA 0.000 56.411 56.400 0.018 0.000 0.976 5643 E CB 0.000 29.705 29.700 0.008 0.000 0.812 5643 E HN 0.000 nan 8.360 nan 0.000 0.440