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 3izh_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 TNIKDLSAQD 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 0.000 176.088 176.094 -0.010 0.000 1.182 5131 V CA 0.000 62.294 62.300 -0.010 0.000 1.235 5131 V CB 0.000 31.817 31.823 -0.009 0.000 1.184 5132 L N 2.511 123.726 121.223 -0.013 0.000 2.325 5132 L HA 0.554 4.894 4.340 -0.000 0.000 0.279 5132 L C -2.188 174.673 176.870 -0.014 0.000 1.054 5132 L CA -1.543 53.289 54.840 -0.013 0.000 0.804 5132 L CB 0.865 42.914 42.059 -0.017 0.000 1.200 5132 L HN 0.163 nan 8.230 nan 0.000 0.436 5133 P HA -0.008 nan 4.420 nan 0.000 0.264 5133 P C -0.445 176.846 177.300 -0.014 0.000 1.193 5133 P CA -0.145 62.949 63.100 -0.011 0.000 0.763 5133 P CB 0.402 32.097 31.700 -0.009 0.000 0.810 5134 E N 3.246 123.438 120.200 -0.014 0.000 2.452 5134 E HA -0.114 4.236 4.350 -0.000 0.000 0.261 5134 E C 0.844 177.435 176.600 -0.015 0.000 0.987 5134 E CA 0.388 56.779 56.400 -0.016 0.000 0.926 5134 E CB 0.011 29.702 29.700 -0.014 0.000 0.934 5134 E HN 0.618 nan 8.360 nan 0.000 0.452 5135 N N 2.455 121.144 118.700 -0.018 0.000 2.990 5135 N HA -0.146 4.594 4.740 -0.000 0.000 0.163 5135 N C -0.613 174.886 175.510 -0.018 0.000 1.452 5135 N CA 0.223 53.264 53.050 -0.016 0.000 1.624 5135 N CB -0.631 37.849 38.487 -0.011 0.000 1.088 5135 N HN 0.388 nan 8.380 nan 0.000 0.695 5136 M N 2.059 121.646 119.600 -0.020 0.000 2.228 5136 M HA 0.227 4.707 4.480 -0.000 0.000 0.351 5136 M C 0.301 176.578 176.300 -0.037 0.000 1.233 5136 M CA 0.556 55.843 55.300 -0.021 0.000 1.129 5136 M CB 0.839 33.428 32.600 -0.018 0.000 1.604 5136 M HN 0.162 nan 8.290 nan 0.000 0.457 5137 K N 2.272 122.652 120.400 -0.034 0.000 2.316 5137 K HA 0.621 4.941 4.320 -0.000 0.000 0.251 5137 K C -1.213 175.343 176.600 -0.073 0.000 0.934 5137 K CA -0.573 55.667 56.287 -0.077 0.000 0.802 5137 K CB 1.964 34.441 32.500 -0.038 0.000 1.171 5137 K HN 0.676 nan 8.250 nan 0.000 0.426 5138 R N 3.087 123.460 120.500 -0.212 0.000 2.621 5138 R HA 0.431 4.771 4.340 -0.000 0.000 0.284 5138 R C -1.520 174.570 176.300 -0.350 0.000 0.998 5138 R CA -0.599 55.420 56.100 -0.136 0.000 0.895 5138 R CB 0.894 31.152 30.300 -0.070 0.000 1.195 5138 R HN 0.626 nan 8.270 nan 0.000 0.450 5139 Y N 4.205 124.510 120.300 0.007 0.000 2.462 5139 Y HA 0.541 5.091 4.550 -0.000 0.000 0.346 5139 Y C 0.274 176.181 175.900 0.011 0.000 0.976 5139 Y CA -0.950 57.158 58.100 0.013 0.000 1.044 5139 Y CB 2.227 40.702 38.460 0.026 0.000 1.230 5139 Y HN 0.426 nan 8.280 nan 0.000 0.455 5140 M N 0.862 120.546 119.600 0.141 0.000 2.618 5140 M HA 0.858 5.338 4.480 -0.000 0.000 0.281 5140 M C 0.179 176.519 176.300 0.066 0.000 1.267 5140 M CA -0.144 55.204 55.300 0.080 0.000 0.845 5140 M CB 1.350 33.974 32.600 0.040 0.000 1.732 5140 M HN 0.877 nan 8.290 nan 0.000 0.461 5141 G N 2.285 111.111 108.800 0.043 0.000 2.574 5141 G HA2 -0.357 3.603 3.960 -0.000 0.000 0.286 5141 G HA3 -0.357 3.603 3.960 -0.000 0.000 0.286 5141 G C 0.507 175.425 174.900 0.030 0.000 1.212 5141 G CA 1.066 46.182 45.100 0.027 0.000 0.979 5141 G HN 1.179 nan 8.290 nan 0.000 0.557 5142 R N 0.438 120.953 120.500 0.024 0.000 2.189 5142 R HA -0.043 4.297 4.340 -0.000 0.000 0.223 5142 R C 2.067 178.387 176.300 0.034 0.000 1.092 5142 R CA 1.947 58.059 56.100 0.020 0.000 0.989 5142 R CB -0.373 29.934 30.300 0.012 0.000 0.876 5142 R HN 0.596 nan 8.270 nan 0.000 0.457 5143 D N 0.256 120.693 120.400 0.061 0.000 2.123 5143 D HA -0.105 4.535 4.640 -0.000 0.000 0.200 5143 D C 1.706 178.058 176.300 0.087 0.000 0.976 5143 D CA 1.403 55.462 54.000 0.099 0.000 0.831 5143 D CB -0.126 40.779 40.800 0.174 0.000 0.974 5143 D HN 0.360 nan 8.370 nan 0.000 0.469 5144 A N 0.958 123.839 122.820 0.101 0.000 1.933 5144 A HA -0.216 4.104 4.320 -0.000 0.000 0.218 5144 A C 2.152 179.746 177.584 0.017 0.000 1.175 5144 A CA 1.322 53.403 52.037 0.074 0.000 0.628 5144 A CB -0.516 18.537 19.000 0.088 0.000 0.814 5144 A HN 0.195 nan 8.150 nan 0.000 0.444 5145 Q N -1.109 118.700 119.800 0.016 0.000 2.046 5145 Q HA -0.145 4.195 4.340 -0.000 0.000 0.200 5145 Q C 2.423 178.415 176.000 -0.014 0.000 0.975 5145 Q CA 1.439 57.243 55.803 0.001 0.000 0.836 5145 Q CB -0.197 28.542 28.738 0.002 0.000 0.896 5145 Q HN 0.690 nan 8.270 nan 0.000 0.428 5146 R N 0.689 121.182 120.500 -0.013 0.000 2.083 5146 R HA -0.172 4.168 4.340 -0.000 0.000 0.237 5146 R C 2.292 178.558 176.300 -0.056 0.000 1.137 5146 R CA 1.679 57.764 56.100 -0.025 0.000 0.951 5146 R CB -0.214 30.079 30.300 -0.012 0.000 0.851 5146 R HN 0.293 nan 8.270 nan 0.000 0.434 5147 M N 0.471 120.022 119.600 -0.082 0.000 2.086 5147 M HA -0.204 4.276 4.480 -0.000 0.000 0.261 5147 M C 1.866 178.087 176.300 -0.132 0.000 1.067 5147 M CA 2.335 57.547 55.300 -0.146 0.000 1.116 5147 M CB -0.330 32.122 32.600 -0.248 0.000 1.348 5147 M HN 0.160 nan 8.290 nan 0.000 0.407 5148 N N 0.535 119.186 118.700 -0.082 0.000 2.069 5148 N HA -0.152 4.588 4.740 -0.000 0.000 0.191 5148 N C 1.466 176.944 175.510 -0.054 0.000 1.031 5148 N CA 2.059 55.077 53.050 -0.055 0.000 0.852 5148 N CB -0.354 38.120 38.487 -0.021 0.000 1.018 5148 N HN 0.494 nan 8.380 nan 0.000 0.423 5149 I N -0.410 120.134 120.570 -0.044 0.000 2.179 5149 I HA -0.231 3.939 4.170 -0.000 0.000 0.242 5149 I C 1.704 177.791 176.117 -0.050 0.000 1.088 5149 I CA 0.585 61.864 61.300 -0.034 0.000 1.357 5149 I CB -0.200 37.787 38.000 -0.023 0.000 1.051 5149 I HN 0.194 nan 8.210 nan 0.000 0.409 5150 L N 0.690 121.873 121.223 -0.068 0.000 2.046 5150 L HA -0.160 4.180 4.340 -0.000 0.000 0.208 5150 L C 2.678 179.490 176.870 -0.098 0.000 1.077 5150 L CA 2.126 56.919 54.840 -0.077 0.000 0.747 5150 L CB -1.268 40.739 42.059 -0.087 0.000 0.896 5150 L HN 0.201 nan 8.230 nan 0.000 0.432 5151 A N -0.625 122.113 122.820 -0.137 0.000 1.877 5151 A HA -0.116 4.204 4.320 -0.000 0.000 0.216 5151 A C 2.428 179.957 177.584 -0.091 0.000 1.186 5151 A CA 1.741 53.684 52.037 -0.158 0.000 0.620 5151 A CB -1.384 17.478 19.000 -0.229 0.000 0.822 5151 A HN 0.438 nan 8.150 nan 0.000 0.443 5152 G N -0.394 108.366 108.800 -0.066 0.000 2.418 5152 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.217 5152 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.217 5152 G C 1.702 176.580 174.900 -0.036 0.000 1.158 5152 G CA 1.375 46.451 45.100 -0.040 0.000 0.771 5152 G HN 0.552 nan 8.290 nan 0.000 0.545 5153 R N 0.766 121.243 120.500 -0.039 0.000 2.083 5153 R HA 0.039 4.379 4.340 -0.000 0.000 0.237 5153 R C 2.469 178.748 176.300 -0.034 0.000 1.137 5153 R CA 1.363 57.443 56.100 -0.033 0.000 0.951 5153 R CB -0.790 29.491 30.300 -0.032 0.000 0.851 5153 R HN 0.433 nan 8.270 nan 0.000 0.434 5154 I N 0.209 120.753 120.570 -0.044 0.000 2.226 5154 I HA -0.256 3.914 4.170 -0.000 0.000 0.245 5154 I C 1.835 177.932 176.117 -0.034 0.000 1.100 5154 I CA 0.828 62.104 61.300 -0.041 0.000 1.374 5154 I CB -0.283 37.685 38.000 -0.052 0.000 1.057 5154 I HN 0.160 nan 8.210 nan 0.000 0.413 5155 I N 1.098 121.647 120.570 -0.035 0.000 2.226 5155 I HA -0.272 3.897 4.170 -0.000 0.000 0.245 5155 I C 2.848 178.953 176.117 -0.021 0.000 1.100 5155 I CA 1.709 62.994 61.300 -0.025 0.000 1.374 5155 I CB -1.478 36.508 38.000 -0.023 0.000 1.057 5155 I HN 0.189 nan 8.210 nan 0.000 0.413 5156 A N 0.319 123.125 122.820 -0.022 0.000 1.933 5156 A HA -0.176 4.144 4.320 -0.000 0.000 0.218 5156 A C 2.151 179.723 177.584 -0.020 0.000 1.175 5156 A CA 1.312 53.337 52.037 -0.020 0.000 0.628 5156 A CB -0.407 18.580 19.000 -0.021 0.000 0.814 5156 A HN 0.373 nan 8.150 nan 0.000 0.444 5157 E N -0.466 119.722 120.200 -0.021 0.000 2.150 5157 E HA -0.102 4.248 4.350 -0.000 0.000 0.193 5157 E C 2.000 178.590 176.600 -0.017 0.000 0.985 5157 E CA 1.523 57.911 56.400 -0.020 0.000 0.814 5157 E CB -0.591 29.097 29.700 -0.021 0.000 0.752 5157 E HN 0.591 nan 8.360 nan 0.000 0.466 5158 T N 0.934 115.478 114.554 -0.017 0.000 2.857 5158 T HA -0.083 4.267 4.350 -0.000 0.000 0.266 5158 T C 2.099 176.792 174.700 -0.011 0.000 1.048 5158 T CA 1.488 63.580 62.100 -0.013 0.000 1.139 5158 T CB 0.006 68.866 68.868 -0.013 0.000 0.874 5158 T HN 0.201 nan 8.240 nan 0.000 0.455 5159 V N 0.133 120.040 119.914 -0.012 0.000 2.992 5159 V HA 0.272 4.392 4.120 -0.000 0.000 0.250 5159 V C 2.266 178.353 176.094 -0.012 0.000 1.090 5159 V CA 0.737 63.031 62.300 -0.011 0.000 1.101 5159 V CB -0.693 31.124 31.823 -0.010 0.000 0.743 5159 V HN 0.223 nan 8.190 nan 0.000 0.468 5160 R N 2.250 122.741 120.500 -0.015 0.000 2.211 5160 R HA -0.164 4.176 4.340 -0.000 0.000 0.240 5160 R C 2.174 178.465 176.300 -0.014 0.000 1.144 5160 R CA 1.873 57.963 56.100 -0.017 0.000 0.992 5160 R CB -0.449 29.839 30.300 -0.020 0.000 0.869 5160 R HN 0.794 nan 8.270 nan 0.000 0.462 5161 S N -1.662 114.031 115.700 -0.012 0.000 2.595 5161 S HA -0.034 4.436 4.470 -0.000 0.000 0.235 5161 S C 1.284 175.880 174.600 -0.006 0.000 0.974 5161 S CA 1.165 59.360 58.200 -0.009 0.000 0.942 5161 S CB 0.332 63.528 63.200 -0.007 0.000 0.766 5161 S HN 0.272 nan 8.310 nan 0.000 0.536 5162 T N 1.223 115.773 114.554 -0.007 0.000 3.015 5162 T HA 0.336 4.686 4.350 -0.000 0.000 0.250 5162 T C 0.276 174.972 174.700 -0.006 0.000 1.057 5162 T CA -0.422 61.675 62.100 -0.004 0.000 1.066 5162 T CB -0.150 68.716 68.868 -0.003 0.000 0.959 5162 T HN 0.291 nan 8.240 nan 0.000 0.488 5163 L N 2.499 123.716 121.223 -0.010 0.000 2.499 5163 L HA 0.463 4.803 4.340 -0.000 0.000 0.273 5163 L C 0.721 177.583 176.870 -0.014 0.000 1.195 5163 L CA 1.253 56.085 54.840 -0.014 0.000 0.882 5163 L CB -0.771 41.277 42.059 -0.019 0.000 1.133 5163 L HN 0.442 nan 8.230 nan 0.000 0.483 5164 G N 3.865 112.657 108.800 -0.014 0.000 2.663 5164 G HA2 -0.140 3.820 3.960 -0.000 0.000 0.686 5164 G HA3 -0.140 3.820 3.960 -0.000 0.000 0.686 5164 G C -1.999 172.897 174.900 -0.007 0.000 1.288 5164 G CA -0.451 44.640 45.100 -0.015 0.000 0.836 5164 G HN 0.502 nan 8.290 nan 0.000 0.584 5165 P HA -0.002 nan 4.420 nan 0.000 0.218 5165 P C 1.396 178.707 177.300 0.017 0.000 1.148 5165 P CA 1.271 64.374 63.100 0.005 0.000 0.822 5165 P CB 0.134 31.831 31.700 -0.004 0.000 0.784 5166 K N -0.504 119.902 120.400 0.010 0.000 2.446 5166 K HA 0.258 4.578 4.320 -0.000 0.000 0.203 5166 K C 0.966 177.573 176.600 0.011 0.000 1.027 5166 K CA -0.048 56.250 56.287 0.018 0.000 1.166 5166 K CB -0.148 32.361 32.500 0.016 0.000 0.869 5166 K HN 0.063 nan 8.250 nan 0.000 0.504 5167 G N 1.853 110.657 108.800 0.007 0.000 2.442 5167 G HA2 0.314 4.274 3.960 -0.000 0.000 0.249 5167 G HA3 0.314 4.274 3.960 -0.000 0.000 0.249 5167 G C 0.310 175.214 174.900 0.007 0.000 1.263 5167 G CA -0.422 44.680 45.100 0.003 0.000 0.846 5167 G HN 0.197 nan 8.290 nan 0.000 0.555 5168 M N 0.698 120.301 119.600 0.005 0.000 2.792 5168 M HA 0.731 5.211 4.480 -0.000 0.000 0.294 5168 M C -0.819 175.483 176.300 0.005 0.000 1.215 5168 M CA -1.041 54.263 55.300 0.007 0.000 0.883 5168 M CB 1.828 34.432 32.600 0.006 0.000 1.620 5168 M HN 0.459 nan 8.290 nan 0.000 0.511 5169 D N -0.681 119.722 120.400 0.005 0.000 2.340 5169 D HA 0.578 5.218 4.640 -0.000 0.000 0.243 5169 D C -1.436 174.865 176.300 0.002 0.000 0.988 5169 D CA -0.784 53.218 54.000 0.004 0.000 0.959 5169 D CB 1.405 42.208 40.800 0.005 0.000 1.226 5169 D HN 0.640 nan 8.370 nan 0.000 0.509 5170 K N -0.115 120.286 120.400 0.001 0.000 2.267 5170 K HA 0.483 4.803 4.320 -0.000 0.000 0.246 5170 K C -0.918 175.682 176.600 0.000 0.000 0.954 5170 K CA -1.041 55.246 56.287 0.000 0.000 0.824 5170 K CB 2.328 34.827 32.500 -0.001 0.000 1.167 5170 K HN 0.483 nan 8.250 nan 0.000 0.431 5171 M N 3.580 123.180 119.600 -0.000 0.000 2.078 5171 M HA 0.316 4.796 4.480 -0.000 0.000 0.320 5171 M C -1.859 174.441 176.300 -0.001 0.000 0.969 5171 M CA -0.966 54.334 55.300 -0.001 0.000 0.929 5171 M CB 0.652 33.251 32.600 -0.001 0.000 1.504 5171 M HN 0.382 nan 8.290 nan 0.000 0.419 5172 L N 5.939 127.162 121.223 -0.001 0.000 2.298 5172 L HA 0.534 4.874 4.340 -0.000 0.000 0.284 5172 L C -0.944 175.926 176.870 -0.001 0.000 1.013 5172 L CA -0.325 54.515 54.840 -0.000 0.000 0.824 5172 L CB 1.961 44.020 42.059 -0.000 0.000 1.221 5172 L HN 0.438 nan 8.230 nan 0.000 0.418 5173 V N 3.166 123.080 119.914 -0.000 0.000 2.326 5173 V HA 0.300 4.420 4.120 -0.000 0.000 0.281 5173 V C -0.269 175.826 176.094 0.000 0.000 1.015 5173 V CA -1.050 61.250 62.300 -0.000 0.000 0.823 5173 V CB 1.199 33.022 31.823 -0.001 0.000 1.009 5173 V HN 0.796 nan 8.190 nan 0.000 0.436 5174 D N 3.488 123.888 120.400 0.000 0.000 2.369 5174 D HA -0.060 4.580 4.640 -0.000 0.000 0.241 5174 D C 1.132 177.432 176.300 0.001 0.000 1.271 5174 D CA -0.197 53.804 54.000 0.001 0.000 0.942 5174 D CB 0.609 41.409 40.800 0.001 0.000 1.129 5174 D HN 0.589 nan 8.370 nan 0.000 0.476 5175 D N -0.398 120.003 120.400 0.001 0.000 2.351 5175 D HA -0.160 4.480 4.640 -0.000 0.000 0.216 5175 D C 1.612 177.912 176.300 0.001 0.000 0.968 5175 D CA 0.620 54.621 54.000 0.001 0.000 0.899 5175 D CB -0.138 40.664 40.800 0.002 0.000 0.907 5175 D HN 0.419 nan 8.370 nan 0.000 0.514 5176 L N -0.984 120.240 121.223 0.001 0.000 2.463 5176 L HA 0.296 4.636 4.340 -0.000 0.000 0.219 5176 L C 1.981 178.850 176.870 -0.000 0.000 1.088 5176 L CA 0.611 55.451 54.840 0.000 0.000 0.849 5176 L CB 0.230 42.289 42.059 0.000 0.000 1.012 5176 L HN 0.324 nan 8.230 nan 0.000 0.468 5177 G N -0.582 108.217 108.800 -0.000 0.000 2.278 5177 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.210 5177 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.210 5177 G C 0.123 175.022 174.900 -0.001 0.000 1.000 5177 G CA -0.067 45.032 45.100 -0.001 0.000 0.635 5177 G HN 0.289 nan 8.290 nan 0.000 0.495 5178 D N 1.025 121.425 120.400 -0.001 0.000 2.472 5178 D HA 0.383 5.023 4.640 -0.000 0.000 0.237 5178 D C 0.351 176.650 176.300 -0.002 0.000 1.141 5178 D CA 0.509 54.508 54.000 -0.001 0.000 0.875 5178 D CB 1.199 41.998 40.800 -0.001 0.000 1.192 5178 D HN 0.382 nan 8.370 nan 0.000 0.450 5179 V N 4.219 124.132 119.914 -0.002 0.000 2.540 5179 V HA 0.404 4.524 4.120 -0.000 0.000 0.302 5179 V C -0.174 175.918 176.094 -0.003 0.000 1.035 5179 V CA -0.936 61.362 62.300 -0.002 0.000 0.873 5179 V CB 1.812 33.633 31.823 -0.003 0.000 0.992 5179 V HN 0.402 nan 8.190 nan 0.000 0.428 5180 V N 6.286 126.199 119.914 -0.002 0.000 2.487 5180 V HA 0.680 4.800 4.120 -0.000 0.000 0.298 5180 V C -0.878 175.215 176.094 -0.002 0.000 1.028 5180 V CA -0.247 62.052 62.300 -0.002 0.000 0.860 5180 V CB 2.107 33.929 31.823 -0.001 0.000 0.991 5180 V HN 0.644 nan 8.190 nan 0.000 0.427 5181 V N 6.331 126.244 119.914 -0.002 0.000 2.376 5181 V HA 0.707 4.827 4.120 -0.000 0.000 0.287 5181 V C 0.057 176.150 176.094 -0.000 0.000 1.015 5181 V CA -0.011 62.288 62.300 -0.001 0.000 0.834 5181 V CB 1.364 33.186 31.823 -0.002 0.000 1.001 5181 V HN 1.026 nan 8.190 nan 0.000 0.428 5182 T N 2.549 117.103 114.554 0.001 0.000 2.787 5182 T HA 0.377 4.727 4.350 -0.000 0.000 0.297 5182 T C 0.248 174.949 174.700 0.002 0.000 1.221 5182 T CA -0.176 61.925 62.100 0.001 0.000 1.006 5182 T CB 1.943 70.811 68.868 0.001 0.000 1.328 5182 T HN 0.654 nan 8.240 nan 0.000 0.509 5183 N N 0.541 119.242 118.700 0.002 0.000 2.273 5183 N HA 0.120 4.860 4.740 -0.000 0.000 0.192 5183 N C -0.104 175.406 175.510 0.000 0.000 1.132 5183 N CA -0.147 52.904 53.050 0.002 0.000 0.887 5183 N CB -0.165 38.324 38.487 0.003 0.000 1.048 5183 N HN 0.603 nan 8.380 nan 0.000 0.490 5184 D N 0.441 120.841 120.400 0.001 0.000 2.450 5184 D HA 0.243 4.883 4.640 -0.000 0.000 0.247 5184 D C 1.462 177.762 176.300 -0.001 0.000 1.162 5184 D CA 0.303 54.304 54.000 0.000 0.000 0.879 5184 D CB 1.058 41.859 40.800 0.001 0.000 1.163 5184 D HN 0.244 nan 8.370 nan 0.000 0.472 5185 G N 2.484 111.283 108.800 -0.001 0.000 2.421 5185 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.216 5185 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.216 5185 G C 1.555 176.455 174.900 -0.001 0.000 1.171 5185 G CA 0.727 45.826 45.100 -0.002 0.000 0.775 5185 G HN 0.491 nan 8.290 nan 0.000 0.543 5186 V N 0.967 120.882 119.914 0.000 0.000 2.287 5186 V HA -0.209 3.911 4.120 -0.000 0.000 0.248 5186 V C 3.150 179.245 176.094 0.002 0.000 1.053 5186 V CA 2.417 64.718 62.300 0.001 0.000 1.027 5186 V CB -1.044 30.780 31.823 0.002 0.000 0.646 5186 V HN 0.384 nan 8.190 nan 0.000 0.447 5187 T N 0.236 114.790 114.554 0.001 0.000 2.708 5187 T HA -0.133 4.217 4.350 -0.000 0.000 0.266 5187 T C 1.834 176.534 174.700 0.001 0.000 1.037 5187 T CA 1.882 63.983 62.100 0.001 0.000 1.146 5187 T CB -0.313 68.556 68.868 0.001 0.000 0.865 5187 T HN 0.338 nan 8.240 nan 0.000 0.435 5188 I N 0.463 121.033 120.570 0.000 0.000 2.163 5188 I HA -0.169 4.001 4.170 -0.000 0.000 0.243 5188 I C 2.069 178.186 176.117 0.000 0.000 1.085 5188 I CA 1.081 62.381 61.300 -0.000 0.000 1.347 5188 I CB -0.281 37.718 38.000 -0.001 0.000 1.044 5188 I HN 0.168 nan 8.210 nan 0.000 0.408 5189 L N 0.021 121.244 121.223 0.001 0.000 2.179 5189 L HA -0.066 4.274 4.340 -0.000 0.000 0.208 5189 L C 2.476 179.348 176.870 0.004 0.000 1.096 5189 L CA 1.413 56.254 54.840 0.002 0.000 0.779 5189 L CB -0.924 41.136 42.059 0.001 0.000 0.922 5189 L HN 0.146 nan 8.230 nan 0.000 0.443 5190 R N -0.002 120.500 120.500 0.003 0.000 2.075 5190 R HA -0.118 4.222 4.340 -0.000 0.000 0.232 5190 R C 1.909 178.212 176.300 0.004 0.000 1.126 5190 R CA 1.263 57.366 56.100 0.004 0.000 0.963 5190 R CB 0.037 30.339 30.300 0.003 0.000 0.858 5190 R HN 0.326 nan 8.270 nan 0.000 0.435 5191 E N 0.580 120.782 120.200 0.003 0.000 2.072 5191 E HA -0.109 4.241 4.350 -0.000 0.000 0.190 5191 E C 1.171 177.773 176.600 0.003 0.000 0.982 5191 E CA 0.290 56.692 56.400 0.003 0.000 0.803 5191 E CB -0.281 29.420 29.700 0.002 0.000 0.755 5191 E HN 0.300 nan 8.360 nan 0.000 0.453 5192 M N 0.862 120.464 119.600 0.003 0.000 2.252 5192 M HA -0.053 4.427 4.480 -0.000 0.000 0.321 5192 M C 0.144 176.448 176.300 0.007 0.000 1.070 5192 M CA 0.488 55.790 55.300 0.004 0.000 1.143 5192 M CB 0.578 33.180 32.600 0.004 0.000 1.498 5192 M HN -0.188 nan 8.290 nan 0.000 0.445 5193 S N 4.008 119.712 115.700 0.008 0.000 2.512 5193 S HA 0.423 4.893 4.470 -0.000 0.000 0.291 5193 S C -0.804 173.805 174.600 0.014 0.000 1.151 5193 S CA -0.853 57.353 58.200 0.010 0.000 1.120 5193 S CB 0.003 63.208 63.200 0.008 0.000 1.029 5193 S HN 0.531 nan 8.310 nan 0.000 0.485 5194 V N 4.971 124.896 119.914 0.017 0.000 2.732 5194 V HA 0.327 4.447 4.120 -0.000 0.000 0.297 5194 V C 1.013 177.127 176.094 0.032 0.000 1.060 5194 V CA -0.117 62.200 62.300 0.027 0.000 1.038 5194 V CB 1.488 33.329 31.823 0.030 0.000 1.003 5194 V HN 0.800 nan 8.190 nan 0.000 0.481 5195 E N 0.661 120.889 120.200 0.047 0.000 2.288 5195 E HA 0.073 4.423 4.350 -0.000 0.000 0.200 5195 E C 0.678 177.308 176.600 0.050 0.000 0.880 5195 E CA -0.038 56.387 56.400 0.041 0.000 0.971 5195 E CB 0.011 29.734 29.700 0.038 0.000 0.954 5195 E HN 0.693 nan 8.360 nan 0.000 0.489 5196 H N 2.800 121.868 119.070 -0.005 0.000 2.886 5196 H HA 0.018 4.574 4.556 0.000 0.000 0.329 5196 H C -1.721 173.601 175.328 -0.010 0.000 1.044 5196 H CA -1.190 54.852 56.048 -0.011 0.000 1.456 5196 H CB 1.502 31.249 29.762 -0.026 0.000 1.464 5196 H HN -0.172 nan 8.280 nan 0.000 0.573 5197 P HA -0.126 nan 4.420 nan 0.000 0.215 5197 P C 1.125 178.488 177.300 0.105 0.000 1.153 5197 P CA 1.984 65.075 63.100 -0.016 0.000 0.853 5197 P CB 0.098 31.745 31.700 -0.089 0.000 0.788 5198 A N -0.119 122.874 122.820 0.287 0.000 1.933 5198 A HA -0.095 4.225 4.320 -0.000 0.000 0.218 5198 A C 2.298 179.949 177.584 0.111 0.000 1.175 5198 A CA 2.034 54.192 52.037 0.201 0.000 0.628 5198 A CB -1.538 17.576 19.000 0.191 0.000 0.814 5198 A HN 0.201 nan 8.150 nan 0.000 0.444 5199 A N -0.188 122.715 122.820 0.139 0.000 1.929 5199 A HA -0.091 4.229 4.320 -0.000 0.000 0.216 5199 A C 2.067 179.679 177.584 0.046 0.000 1.176 5199 A CA 1.587 53.652 52.037 0.048 0.000 0.628 5199 A CB -0.372 18.651 19.000 0.038 0.000 0.816 5199 A HN 0.521 nan 8.150 nan 0.000 0.444 5200 K N -1.003 119.433 120.400 0.061 0.000 2.147 5200 K HA -0.093 4.227 4.320 -0.000 0.000 0.205 5200 K C 2.031 178.649 176.600 0.030 0.000 1.049 5200 K CA 1.573 57.883 56.287 0.038 0.000 0.936 5200 K CB -0.235 32.284 32.500 0.033 0.000 0.722 5200 K HN 0.600 nan 8.250 nan 0.000 0.446 5201 M N 0.706 120.327 119.600 0.036 0.000 2.254 5201 M HA -0.091 4.389 4.480 -0.000 0.000 0.265 5201 M C 1.914 178.226 176.300 0.020 0.000 1.066 5201 M CA 0.988 56.304 55.300 0.027 0.000 1.123 5201 M CB 0.119 32.738 32.600 0.031 0.000 1.388 5201 M HN 0.112 nan 8.290 nan 0.000 0.425 5202 L N 0.782 122.016 121.223 0.018 0.000 2.156 5202 L HA -0.120 4.220 4.340 -0.000 0.000 0.208 5202 L C 1.922 178.797 176.870 0.009 0.000 1.095 5202 L CA 1.371 56.218 54.840 0.010 0.000 0.770 5202 L CB -0.603 41.457 42.059 0.002 0.000 0.914 5202 L HN 0.275 nan 8.230 nan 0.000 0.439 5203 I N -0.074 120.503 120.570 0.011 0.000 2.315 5203 I HA -0.246 3.924 4.170 -0.000 0.000 0.251 5203 I C 2.359 178.481 176.117 0.009 0.000 1.125 5203 I CA 1.110 62.416 61.300 0.010 0.000 1.392 5203 I CB -1.287 36.720 38.000 0.011 0.000 1.065 5203 I HN 0.387 nan 8.210 nan 0.000 0.424 5204 E N 0.650 120.857 120.200 0.011 0.000 2.150 5204 E HA -0.115 4.235 4.350 -0.000 0.000 0.193 5204 E C 2.486 179.092 176.600 0.010 0.000 0.985 5204 E CA 0.795 57.202 56.400 0.011 0.000 0.814 5204 E CB -0.228 29.479 29.700 0.012 0.000 0.752 5204 E HN 0.343 nan 8.360 nan 0.000 0.466 5205 V N 1.755 121.675 119.914 0.010 0.000 2.287 5205 V HA -0.276 3.844 4.120 -0.000 0.000 0.248 5205 V C 2.506 178.605 176.094 0.008 0.000 1.053 5205 V CA 1.949 64.255 62.300 0.010 0.000 1.027 5205 V CB -0.941 30.888 31.823 0.010 0.000 0.646 5205 V HN 0.251 nan 8.190 nan 0.000 0.447 5206 A N -0.354 122.470 122.820 0.006 0.000 1.902 5206 A HA -0.244 4.076 4.320 -0.000 0.000 0.217 5206 A C 2.304 179.891 177.584 0.005 0.000 1.181 5206 A CA 2.031 54.071 52.037 0.005 0.000 0.623 5206 A CB -0.443 18.559 19.000 0.003 0.000 0.818 5206 A HN 0.557 nan 8.150 nan 0.000 0.443 5207 K N -1.019 119.384 120.400 0.006 0.000 2.097 5207 K HA -0.078 4.242 4.320 -0.000 0.000 0.205 5207 K C 2.026 178.630 176.600 0.007 0.000 1.050 5207 K CA 1.674 57.964 56.287 0.006 0.000 0.938 5207 K CB -0.336 32.168 32.500 0.006 0.000 0.718 5207 K HN 0.462 nan 8.250 nan 0.000 0.442 5208 T N 0.976 115.535 114.554 0.008 0.000 2.867 5208 T HA -0.147 4.203 4.350 -0.000 0.000 0.268 5208 T C 1.802 176.507 174.700 0.008 0.000 1.057 5208 T CA 1.131 63.236 62.100 0.009 0.000 1.136 5208 T CB -0.081 68.793 68.868 0.010 0.000 0.874 5208 T HN 0.153 nan 8.240 nan 0.000 0.466 5209 Q N 1.182 120.986 119.800 0.008 0.000 2.084 5209 Q HA -0.096 4.244 4.340 -0.000 0.000 0.202 5209 Q C 2.291 178.294 176.000 0.006 0.000 0.978 5209 Q CA 1.427 57.234 55.803 0.007 0.000 0.844 5209 Q CB -0.227 28.515 28.738 0.006 0.000 0.898 5209 Q HN 0.362 nan 8.270 nan 0.000 0.426 5210 E N 0.178 120.381 120.200 0.005 0.000 2.047 5210 E HA -0.166 4.184 4.350 -0.000 0.000 0.191 5210 E C 1.715 178.318 176.600 0.005 0.000 0.987 5210 E CA 1.134 57.536 56.400 0.004 0.000 0.799 5210 E CB 0.079 29.781 29.700 0.004 0.000 0.752 5210 E HN 0.368 nan 8.360 nan 0.000 0.449 5211 K N 0.209 120.612 120.400 0.005 0.000 2.057 5211 K HA -0.121 4.199 4.320 -0.000 0.000 0.207 5211 K C 2.110 178.714 176.600 0.006 0.000 1.049 5211 K CA 1.088 57.379 56.287 0.005 0.000 0.931 5211 K CB 0.052 32.555 32.500 0.006 0.000 0.714 5211 K HN 0.028 nan 8.250 nan 0.000 0.440 5212 E N 0.089 120.293 120.200 0.007 0.000 2.051 5212 E HA -0.075 4.275 4.350 -0.000 0.000 0.189 5212 E C 2.042 178.646 176.600 0.007 0.000 0.979 5212 E CA 1.149 57.553 56.400 0.007 0.000 0.803 5212 E CB 0.204 29.909 29.700 0.009 0.000 0.761 5212 E HN 0.073 nan 8.360 nan 0.000 0.451 5213 V N -1.508 118.410 119.914 0.007 0.000 3.484 5213 V HA 0.290 4.410 4.120 -0.000 0.000 0.252 5213 V C 1.475 177.572 176.094 0.005 0.000 1.282 5213 V CA 0.734 63.038 62.300 0.006 0.000 1.104 5213 V CB 0.717 32.545 31.823 0.007 0.000 0.868 5213 V HN 0.411 nan 8.190 nan 0.000 0.457 5214 G N 0.719 109.521 108.800 0.004 0.000 5.064 5214 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.277 5214 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.277 5214 G C 0.042 174.943 174.900 0.003 0.000 1.580 5214 G CA 0.339 45.441 45.100 0.003 0.000 1.109 5214 G HN 0.463 nan 8.290 nan 0.000 0.695 5215 D N 1.633 122.034 120.400 0.002 0.000 2.383 5215 D HA 0.509 5.149 4.640 -0.000 0.000 0.248 5215 D C 1.417 177.718 176.300 0.000 0.000 1.170 5215 D CA 1.458 55.459 54.000 0.001 0.000 0.977 5215 D CB 0.591 41.391 40.800 0.001 0.000 1.120 5215 D HN 1.826 nan 8.370 nan 0.000 0.481 5216 G N 0.087 108.886 108.800 -0.002 0.000 2.141 5216 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.231 5216 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.231 5216 G C 1.074 175.972 174.900 -0.004 0.000 0.984 5216 G CA 1.267 46.365 45.100 -0.004 0.000 0.660 5216 G HN 0.653 nan 8.290 nan 0.000 0.525 5217 T N -2.357 112.196 114.554 -0.002 0.000 2.674 5217 T HA -0.126 4.224 4.350 -0.000 0.000 0.265 5217 T C 2.232 176.929 174.700 -0.005 0.000 1.039 5217 T CA 2.662 64.761 62.100 -0.002 0.000 1.150 5217 T CB -0.738 68.130 68.868 -0.001 0.000 0.864 5217 T HN 0.334 nan 8.240 nan 0.000 0.427 5218 T N 1.762 116.312 114.554 -0.007 0.000 2.777 5218 T HA -0.057 4.293 4.350 -0.000 0.000 0.266 5218 T C 2.311 177.003 174.700 -0.014 0.000 1.040 5218 T CA 1.732 63.826 62.100 -0.010 0.000 1.141 5218 T CB -0.960 67.902 68.868 -0.010 0.000 0.868 5218 T HN 0.526 nan 8.240 nan 0.000 0.444 5219 T N 2.292 116.837 114.554 -0.015 0.000 2.652 5219 T HA -0.092 4.258 4.350 -0.000 0.000 0.267 5219 T C 2.418 177.104 174.700 -0.022 0.000 1.039 5219 T CA 1.326 63.413 62.100 -0.022 0.000 1.153 5219 T CB -0.632 68.223 68.868 -0.021 0.000 0.863 5219 T HN 0.435 nan 8.240 nan 0.000 0.428 5220 A N 0.774 123.586 122.820 -0.014 0.000 1.933 5220 A HA -0.032 4.288 4.320 -0.000 0.000 0.218 5220 A C 2.605 180.184 177.584 -0.008 0.000 1.175 5220 A CA 1.319 53.351 52.037 -0.009 0.000 0.628 5220 A CB -0.957 18.043 19.000 -0.000 0.000 0.814 5220 A HN 0.359 nan 8.150 nan 0.000 0.444 5221 V N -0.567 119.342 119.914 -0.009 0.000 2.307 5221 V HA -0.198 3.922 4.120 -0.000 0.000 0.245 5221 V C 2.578 178.663 176.094 -0.015 0.000 1.045 5221 V CA 1.927 64.222 62.300 -0.009 0.000 1.024 5221 V CB -0.632 31.186 31.823 -0.009 0.000 0.651 5221 V HN 0.369 nan 8.190 nan 0.000 0.449 5222 V N -0.691 119.211 119.914 -0.020 0.000 2.307 5222 V HA -0.195 3.925 4.120 -0.000 0.000 0.245 5222 V C 2.423 178.496 176.094 -0.034 0.000 1.045 5222 V CA 1.998 64.283 62.300 -0.026 0.000 1.024 5222 V CB -0.274 31.532 31.823 -0.029 0.000 0.651 5222 V HN 0.412 nan 8.190 nan 0.000 0.449 5223 V N 0.112 120.002 119.914 -0.041 0.000 2.358 5223 V HA -0.195 3.925 4.120 -0.000 0.000 0.246 5223 V C 2.595 178.662 176.094 -0.044 0.000 1.047 5223 V CA 2.098 64.362 62.300 -0.060 0.000 1.035 5223 V CB -0.372 31.408 31.823 -0.072 0.000 0.658 5223 V HN 0.520 nan 8.190 nan 0.000 0.452 5224 A N -0.190 122.618 122.820 -0.020 0.000 1.933 5224 A HA -0.042 4.278 4.320 -0.000 0.000 0.218 5224 A C 2.306 179.896 177.584 0.009 0.000 1.175 5224 A CA 1.884 53.924 52.037 0.004 0.000 0.628 5224 A CB -1.220 17.787 19.000 0.011 0.000 0.814 5224 A HN 0.617 nan 8.150 nan 0.000 0.444 5225 G N -0.649 108.149 108.800 -0.005 0.000 2.414 5225 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.215 5225 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.215 5225 G C 1.429 176.328 174.900 -0.003 0.000 1.188 5225 G CA 0.853 45.950 45.100 -0.005 0.000 0.783 5225 G HN 0.451 nan 8.290 nan 0.000 0.537 5226 E N 0.393 120.584 120.200 -0.015 0.000 2.106 5226 E HA -0.011 4.339 4.350 -0.000 0.000 0.192 5226 E C 2.693 179.293 176.600 0.000 0.000 0.984 5226 E CA 0.382 56.771 56.400 -0.018 0.000 0.806 5226 E CB -0.248 29.426 29.700 -0.043 0.000 0.750 5226 E HN 0.415 nan 8.360 nan 0.000 0.458 5227 L N 0.132 121.356 121.223 0.001 0.000 2.056 5227 L HA -0.192 4.148 4.340 -0.000 0.000 0.207 5227 L C 2.394 179.354 176.870 0.150 0.000 1.078 5227 L CA 0.528 55.403 54.840 0.057 0.000 0.749 5227 L CB -0.283 41.792 42.059 0.027 0.000 0.901 5227 L HN 0.132 nan 8.230 nan 0.000 0.433 5228 L N -0.372 120.906 121.223 0.090 0.000 2.093 5228 L HA -0.152 4.188 4.340 -0.000 0.000 0.208 5228 L C 2.674 179.575 176.870 0.052 0.000 1.085 5228 L CA 1.537 56.421 54.840 0.073 0.000 0.755 5228 L CB -0.779 41.305 42.059 0.043 0.000 0.904 5228 L HN 0.163 nan 8.230 nan 0.000 0.435 5229 R N -0.359 120.163 120.500 0.037 0.000 2.066 5229 R HA -0.218 4.122 4.340 -0.000 0.000 0.232 5229 R C 2.281 178.602 176.300 0.035 0.000 1.131 5229 R CA 1.570 57.684 56.100 0.023 0.000 0.955 5229 R CB -0.059 30.246 30.300 0.009 0.000 0.851 5229 R HN 0.056 nan 8.270 nan 0.000 0.432 5230 K N 0.365 120.798 120.400 0.055 0.000 2.148 5230 K HA -0.010 4.310 4.320 -0.000 0.000 0.204 5230 K C 1.668 178.324 176.600 0.094 0.000 1.050 5230 K CA 1.505 57.836 56.287 0.075 0.000 0.942 5230 K CB -0.204 32.351 32.500 0.092 0.000 0.724 5230 K HN 0.298 nan 8.250 nan 0.000 0.446 5231 A N 0.704 123.589 122.820 0.108 0.000 1.930 5231 A HA -0.119 4.201 4.320 -0.000 0.000 0.217 5231 A C 2.113 179.704 177.584 0.012 0.000 1.175 5231 A CA 1.518 53.586 52.037 0.051 0.000 0.627 5231 A CB -0.525 18.503 19.000 0.048 0.000 0.815 5231 A HN 0.419 nan 8.150 nan 0.000 0.443 5232 E N 0.139 120.350 120.200 0.019 0.000 2.204 5232 E HA -0.207 4.143 4.350 -0.000 0.000 0.194 5232 E C 1.848 178.451 176.600 0.004 0.000 0.989 5232 E CA 1.215 57.618 56.400 0.005 0.000 0.824 5232 E CB -0.157 29.546 29.700 0.005 0.000 0.756 5232 E HN 0.789 nan 8.360 nan 0.000 0.477 5233 E N 0.132 120.340 120.200 0.014 0.000 2.204 5233 E HA -0.148 4.202 4.350 -0.000 0.000 0.195 5233 E C 2.229 178.835 176.600 0.010 0.000 0.990 5233 E CA 0.602 57.010 56.400 0.013 0.000 0.821 5233 E CB 0.038 29.750 29.700 0.021 0.000 0.750 5233 E HN 0.279 nan 8.360 nan 0.000 0.477 5234 L N 0.251 121.479 121.223 0.008 0.000 2.131 5234 L HA -0.108 4.232 4.340 -0.000 0.000 0.206 5234 L C 2.459 179.323 176.870 -0.010 0.000 1.087 5234 L CA 0.470 55.310 54.840 0.000 0.000 0.767 5234 L CB -0.291 41.762 42.059 -0.010 0.000 0.917 5234 L HN 0.209 nan 8.230 nan 0.000 0.441 5235 L N -0.095 121.117 121.223 -0.017 0.000 2.046 5235 L HA -0.249 4.091 4.340 -0.000 0.000 0.208 5235 L C 2.172 179.029 176.870 -0.022 0.000 1.077 5235 L CA 1.457 56.281 54.840 -0.028 0.000 0.747 5235 L CB -0.511 41.529 42.059 -0.031 0.000 0.896 5235 L HN 0.284 nan 8.230 nan 0.000 0.432 5236 D N -0.803 119.590 120.400 -0.012 0.000 2.219 5236 D HA -0.183 4.457 4.640 -0.000 0.000 0.205 5236 D C 2.128 178.425 176.300 -0.005 0.000 0.970 5236 D CA 0.795 54.790 54.000 -0.008 0.000 0.851 5236 D CB 0.193 40.991 40.800 -0.003 0.000 0.943 5236 D HN 0.142 nan 8.370 nan 0.000 0.488 5237 Q N 0.166 119.964 119.800 -0.003 0.000 2.482 5237 Q HA 0.037 4.377 4.340 -0.000 0.000 0.209 5237 Q C 0.008 176.007 176.000 -0.001 0.000 0.961 5237 Q CA 0.296 56.099 55.803 0.000 0.000 0.945 5237 Q CB -0.032 28.709 28.738 0.005 0.000 1.012 5237 Q HN 0.366 nan 8.270 nan 0.000 0.515 5238 N N -0.387 118.308 118.700 -0.008 0.000 2.814 5238 N HA -0.124 4.616 4.740 -0.000 0.000 0.247 5238 N C -1.191 174.319 175.510 -0.000 0.000 1.089 5238 N CA 0.381 53.424 53.050 -0.011 0.000 0.682 5238 N CB -1.697 36.786 38.487 -0.006 0.000 0.970 5238 N HN -0.026 nan 8.380 nan 0.000 0.554 5239 V N 1.724 121.637 119.914 -0.001 0.000 2.328 5239 V HA 0.122 4.242 4.120 -0.000 0.000 0.278 5239 V C 0.914 177.026 176.094 0.029 0.000 1.021 5239 V CA -0.767 61.544 62.300 0.018 0.000 0.838 5239 V CB 1.322 33.150 31.823 0.008 0.000 0.999 5239 V HN 0.331 nan 8.190 nan 0.000 0.447 5240 H N 9.456 128.511 119.070 -0.025 0.000 3.167 5240 H HA 0.001 4.557 4.556 0.000 0.000 0.306 5240 H C -1.410 173.894 175.328 -0.041 0.000 0.965 5240 H CA -1.102 54.930 56.048 -0.027 0.000 1.408 5240 H CB 1.483 31.232 29.762 -0.022 0.000 1.406 5240 H HN 0.373 nan 8.280 nan 0.000 0.576 5241 P HA -0.157 nan 4.420 nan 0.000 0.219 5241 P C 1.511 178.901 177.300 0.149 0.000 1.146 5241 P CA 1.335 64.486 63.100 0.085 0.000 0.808 5241 P CB 0.097 31.802 31.700 0.008 0.000 0.779 5242 T N -0.796 113.964 114.554 0.344 0.000 2.881 5242 T HA -0.079 4.271 4.350 -0.000 0.000 0.270 5242 T C 1.774 176.457 174.700 -0.028 0.000 1.068 5242 T CA 0.838 62.963 62.100 0.042 0.000 1.131 5242 T CB -0.647 68.092 68.868 -0.216 0.000 0.871 5242 T HN -0.006 nan 8.240 nan 0.000 0.479 5243 I N 0.169 120.737 120.570 -0.003 0.000 2.233 5243 I HA -0.091 4.079 4.170 -0.000 0.000 0.243 5243 I C 2.453 178.524 176.117 -0.076 0.000 1.093 5243 I CA 0.717 61.996 61.300 -0.034 0.000 1.380 5243 I CB -0.352 37.644 38.000 -0.007 0.000 1.067 5243 I HN 0.087 nan 8.210 nan 0.000 0.413 5244 V N 0.392 120.241 119.914 -0.109 0.000 2.287 5244 V HA -0.268 3.852 4.120 -0.000 0.000 0.248 5244 V C 2.411 178.259 176.094 -0.410 0.000 1.053 5244 V CA 1.880 64.008 62.300 -0.287 0.000 1.027 5244 V CB -0.529 31.123 31.823 -0.285 0.000 0.646 5244 V HN 0.359 nan 8.190 nan 0.000 0.447 5245 V N -0.305 119.485 119.914 -0.206 0.000 2.427 5245 V HA -0.218 3.902 4.120 -0.000 0.000 0.248 5245 V C 2.579 178.654 176.094 -0.033 0.000 1.051 5245 V CA 2.295 64.536 62.300 -0.098 0.000 1.048 5245 V CB -0.404 31.406 31.823 -0.022 0.000 0.666 5245 V HN 0.507 nan 8.190 nan 0.000 0.456 5246 K N 0.146 120.518 120.400 -0.047 0.000 2.025 5246 K HA -0.083 4.237 4.320 -0.000 0.000 0.207 5246 K C 2.116 178.706 176.600 -0.017 0.000 1.049 5246 K CA 1.691 57.962 56.287 -0.028 0.000 0.933 5246 K CB -0.945 31.532 32.500 -0.038 0.000 0.714 5246 K HN 0.555 nan 8.250 nan 0.000 0.438 5247 G N 0.275 109.060 108.800 -0.025 0.000 2.440 5247 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.218 5247 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.218 5247 G C 1.403 176.364 174.900 0.102 0.000 1.154 5247 G CA 0.698 45.813 45.100 0.025 0.000 0.767 5247 G HN 0.253 nan 8.290 nan 0.000 0.552 5248 Y N 0.887 121.160 120.300 -0.046 0.000 2.200 5248 Y HA -0.052 4.498 4.550 -0.000 0.000 0.290 5248 Y C 3.113 178.865 175.900 -0.247 0.000 1.137 5248 Y CA 0.728 58.780 58.100 -0.080 0.000 1.163 5248 Y CB -0.780 37.781 38.460 0.168 0.000 0.988 5248 Y HN 0.199 nan 8.280 nan 0.000 0.518 5249 Q N -0.304 119.531 119.800 0.058 0.000 2.030 5249 Q HA -0.172 4.168 4.340 -0.000 0.000 0.204 5249 Q C 2.596 178.532 176.000 -0.108 0.000 0.986 5249 Q CA 1.639 57.434 55.803 -0.014 0.000 0.843 5249 Q CB -0.717 28.025 28.738 0.006 0.000 0.904 5249 Q HN 0.451 nan 8.270 nan 0.000 0.420 5250 A N 1.036 123.796 122.820 -0.100 0.000 1.883 5250 A HA -0.133 4.187 4.320 -0.000 0.000 0.217 5250 A C 2.322 179.801 177.584 -0.176 0.000 1.186 5250 A CA 2.163 54.135 52.037 -0.108 0.000 0.624 5250 A CB -0.752 18.207 19.000 -0.068 0.000 0.822 5250 A HN 0.400 nan 8.150 nan 0.000 0.444 5251 A N -0.341 122.292 122.820 -0.312 0.000 1.930 5251 A HA 0.206 4.526 4.320 -0.000 0.000 0.217 5251 A C 2.490 179.708 177.584 -0.610 0.000 1.175 5251 A CA 1.974 53.728 52.037 -0.471 0.000 0.627 5251 A CB -0.953 17.626 19.000 -0.701 0.000 0.815 5251 A HN 1.038 nan 8.150 nan 0.000 0.443 5252 A N -1.083 121.275 122.820 -0.770 0.000 1.877 5252 A HA -0.217 4.103 4.320 -0.000 0.000 0.216 5252 A C 2.212 179.735 177.584 -0.100 0.000 1.186 5252 A CA 1.792 53.635 52.037 -0.322 0.000 0.620 5252 A CB -0.534 18.387 19.000 -0.132 0.000 0.822 5252 A HN 0.506 nan 8.150 nan 0.000 0.443 5253 Q N -0.125 119.612 119.800 -0.104 0.000 2.124 5253 Q HA -0.207 4.133 4.340 -0.000 0.000 0.202 5253 Q C 2.005 177.984 176.000 -0.035 0.000 0.977 5253 Q CA 2.109 57.883 55.803 -0.049 0.000 0.850 5253 Q CB -0.173 28.536 28.738 -0.049 0.000 0.901 5253 Q HN 0.539 nan 8.270 nan 0.000 0.429 5254 K N 0.378 120.749 120.400 -0.050 0.000 2.211 5254 K HA 0.013 4.333 4.320 -0.000 0.000 0.203 5254 K C 1.749 178.375 176.600 0.043 0.000 1.050 5254 K CA 1.231 57.515 56.287 -0.005 0.000 0.945 5254 K CB -0.492 32.015 32.500 0.012 0.000 0.732 5254 K HN 0.192 nan 8.250 nan 0.000 0.451 5255 A N 0.583 123.424 122.820 0.034 0.000 1.933 5255 A HA -0.194 4.126 4.320 -0.000 0.000 0.218 5255 A C 2.074 179.696 177.584 0.063 0.000 1.175 5255 A CA 1.626 53.712 52.037 0.081 0.000 0.628 5255 A CB -0.492 18.594 19.000 0.143 0.000 0.814 5255 A HN 0.510 nan 8.150 nan 0.000 0.444 5256 Q N -0.631 119.194 119.800 0.042 0.000 2.119 5256 Q HA -0.183 4.157 4.340 -0.000 0.000 0.201 5256 Q C 1.985 178.002 176.000 0.028 0.000 0.972 5256 Q CA 1.552 57.374 55.803 0.032 0.000 0.847 5256 Q CB -0.151 28.600 28.738 0.022 0.000 0.903 5256 Q HN 0.777 nan 8.270 nan 0.000 0.433 5257 E N 0.586 120.801 120.200 0.026 0.000 2.051 5257 E HA -0.172 4.178 4.350 -0.000 0.000 0.192 5257 E C 2.048 178.672 176.600 0.040 0.000 0.991 5257 E CA 0.865 57.281 56.400 0.025 0.000 0.799 5257 E CB -0.076 29.633 29.700 0.015 0.000 0.748 5257 E HN 0.297 nan 8.360 nan 0.000 0.449 5258 L N 0.460 121.719 121.223 0.060 0.000 2.083 5258 L HA -0.212 4.128 4.340 -0.000 0.000 0.209 5258 L C 2.370 179.270 176.870 0.050 0.000 1.083 5258 L CA 0.437 55.319 54.840 0.071 0.000 0.752 5258 L CB -0.281 41.833 42.059 0.091 0.000 0.899 5258 L HN 0.169 nan 8.230 nan 0.000 0.433 5259 L N -0.093 121.156 121.223 0.042 0.000 2.046 5259 L HA -0.203 4.137 4.340 -0.000 0.000 0.208 5259 L C 2.491 179.377 176.870 0.026 0.000 1.077 5259 L CA 1.750 56.609 54.840 0.031 0.000 0.747 5259 L CB -0.668 41.408 42.059 0.028 0.000 0.896 5259 L HN 0.145 nan 8.230 nan 0.000 0.432 5260 K N -1.580 118.835 120.400 0.025 0.000 2.148 5260 K HA -0.096 4.224 4.320 -0.000 0.000 0.204 5260 K C 1.889 178.502 176.600 0.022 0.000 1.050 5260 K CA 1.566 57.865 56.287 0.020 0.000 0.942 5260 K CB -0.194 32.316 32.500 0.017 0.000 0.724 5260 K HN 0.333 nan 8.250 nan 0.000 0.446 5261 T N 1.769 116.340 114.554 0.028 0.000 2.851 5261 T HA -0.036 4.314 4.350 -0.000 0.000 0.262 5261 T C 1.898 176.616 174.700 0.031 0.000 1.043 5261 T CA 1.106 63.224 62.100 0.031 0.000 1.140 5261 T CB -0.092 68.801 68.868 0.041 0.000 0.872 5261 T HN 0.361 nan 8.240 nan 0.000 0.446 5262 I N -0.098 120.493 120.570 0.034 0.000 3.226 5262 I HA 0.416 4.586 4.170 -0.000 0.000 0.277 5262 I C 1.146 177.280 176.117 0.028 0.000 1.243 5262 I CA -0.460 60.861 61.300 0.035 0.000 1.459 5262 I CB -0.525 37.500 38.000 0.042 0.000 1.093 5262 I HN -0.050 nan 8.210 nan 0.000 0.453 5263 A N 1.515 124.349 122.820 0.023 0.000 2.567 5263 A HA 0.074 4.394 4.320 -0.000 0.000 0.240 5263 A C 0.203 177.797 177.584 0.016 0.000 1.053 5263 A CA -0.009 52.039 52.037 0.018 0.000 0.755 5263 A CB -0.248 18.761 19.000 0.015 0.000 0.978 5263 A HN 0.640 nan 8.150 nan 0.000 0.507 5264 C N 4.085 123.394 119.300 0.015 0.000 2.281 5264 C HA 0.499 4.959 4.460 -0.000 0.000 0.336 5264 C C 0.282 175.278 174.990 0.010 0.000 1.217 5264 C CA -0.738 58.288 59.018 0.013 0.000 1.730 5264 C CB -1.483 26.265 27.740 0.013 0.000 2.338 5264 C HN 0.886 nan 8.230 nan 0.000 0.521 5265 E N 3.296 123.501 120.200 0.009 0.000 2.360 5265 E HA 0.451 4.801 4.350 -0.000 0.000 0.269 5265 E C 0.112 176.716 176.600 0.007 0.000 1.022 5265 E CA 0.113 56.517 56.400 0.008 0.000 0.887 5265 E CB 0.913 30.617 29.700 0.007 0.000 0.990 5265 E HN 0.677 nan 8.360 nan 0.000 0.426 5266 V N -0.929 118.989 119.914 0.006 0.000 3.130 5266 V HA 0.802 4.922 4.120 -0.000 0.000 0.310 5266 V C 0.382 176.479 176.094 0.005 0.000 1.158 5266 V CA -1.243 61.060 62.300 0.006 0.000 1.029 5266 V CB 1.804 33.630 31.823 0.006 0.000 1.057 5266 V HN 0.653 nan 8.190 nan 0.000 0.436 5267 G N 0.522 109.325 108.800 0.005 0.000 2.335 5267 G HA2 0.476 4.436 3.960 -0.000 0.000 0.268 5267 G HA3 0.476 4.436 3.960 -0.000 0.000 0.268 5267 G C 1.012 175.915 174.900 0.005 0.000 1.228 5267 G CA 0.234 45.337 45.100 0.004 0.000 0.968 5267 G HN 1.662 nan 8.290 nan 0.000 0.459 5268 A N 2.759 125.582 122.820 0.004 0.000 1.917 5268 A HA -0.152 4.168 4.320 -0.000 0.000 0.219 5268 A C 1.949 179.536 177.584 0.005 0.000 1.182 5268 A CA 1.515 53.554 52.037 0.004 0.000 0.633 5268 A CB -0.124 18.879 19.000 0.004 0.000 0.819 5268 A HN 0.658 nan 8.150 nan 0.000 0.448 5269 Q N -0.309 119.494 119.800 0.005 0.000 2.201 5269 Q HA 0.088 4.428 4.340 -0.000 0.000 0.236 5269 Q C -0.713 175.290 176.000 0.006 0.000 0.857 5269 Q CA -0.407 55.399 55.803 0.005 0.000 1.025 5269 Q CB 0.362 29.103 28.738 0.005 0.000 1.124 5269 Q HN 0.559 nan 8.270 nan 0.000 0.473 5270 D N 1.338 121.742 120.400 0.006 0.000 2.382 5270 D HA -0.049 4.591 4.640 -0.000 0.000 0.259 5270 D C 0.906 177.210 176.300 0.007 0.000 1.224 5270 D CA 0.276 54.280 54.000 0.006 0.000 0.894 5270 D CB 1.170 41.974 40.800 0.006 0.000 1.127 5270 D HN -0.073 nan 8.370 nan 0.000 0.487 5271 K N 3.978 124.383 120.400 0.008 0.000 2.000 5271 K HA -0.272 4.048 4.320 -0.000 0.000 0.218 5271 K C 1.622 178.227 176.600 0.009 0.000 1.053 5271 K CA 2.121 58.413 56.287 0.008 0.000 0.946 5271 K CB -0.316 32.190 32.500 0.008 0.000 0.723 5271 K HN 0.422 nan 8.250 nan 0.000 0.446 5272 E N 0.304 120.509 120.200 0.008 0.000 2.049 5272 E HA -0.158 4.192 4.350 -0.000 0.000 0.198 5272 E C 1.980 178.585 176.600 0.009 0.000 1.007 5272 E CA 2.104 58.508 56.400 0.008 0.000 0.809 5272 E CB -0.378 29.326 29.700 0.007 0.000 0.749 5272 E HN 0.470 nan 8.360 nan 0.000 0.450 5273 I N -0.047 120.528 120.570 0.008 0.000 2.361 5273 I HA -0.229 3.941 4.170 -0.000 0.000 0.251 5273 I C 1.870 177.993 176.117 0.010 0.000 1.133 5273 I CA 0.313 61.619 61.300 0.009 0.000 1.413 5273 I CB -0.166 37.839 38.000 0.008 0.000 1.073 5273 I HN 0.189 nan 8.210 nan 0.000 0.424 5274 L N 0.235 121.464 121.223 0.009 0.000 2.046 5274 L HA -0.177 4.163 4.340 -0.000 0.000 0.208 5274 L C 2.578 179.455 176.870 0.011 0.000 1.077 5274 L CA 1.968 56.814 54.840 0.010 0.000 0.747 5274 L CB -1.270 40.794 42.059 0.010 0.000 0.896 5274 L HN 0.184 nan 8.230 nan 0.000 0.432 5275 T N -1.353 113.207 114.554 0.011 0.000 2.833 5275 T HA -0.192 4.158 4.350 -0.000 0.000 0.269 5275 T C 1.992 176.700 174.700 0.014 0.000 1.054 5275 T CA 1.120 63.228 62.100 0.012 0.000 1.135 5275 T CB -0.025 68.849 68.868 0.011 0.000 0.869 5275 T HN 0.061 nan 8.240 nan 0.000 0.466 5276 K N 0.900 121.309 120.400 0.014 0.000 2.057 5276 K HA 0.174 4.494 4.320 -0.000 0.000 0.206 5276 K C 1.997 178.608 176.600 0.018 0.000 1.050 5276 K CA 0.787 57.083 56.287 0.016 0.000 0.935 5276 K CB -0.463 32.045 32.500 0.014 0.000 0.715 5276 K HN 0.339 nan 8.250 nan 0.000 0.439 5277 I N 0.191 120.770 120.570 0.015 0.000 2.142 5277 I HA -0.325 3.845 4.170 -0.000 0.000 0.240 5277 I C 2.224 178.352 176.117 0.019 0.000 1.078 5277 I CA 1.348 62.657 61.300 0.016 0.000 1.343 5277 I CB -0.440 37.568 38.000 0.013 0.000 1.046 5277 I HN 0.145 nan 8.210 nan 0.000 0.405 5278 A N 0.573 123.403 122.820 0.017 0.000 1.841 5278 A HA -0.302 4.018 4.320 -0.000 0.000 0.216 5278 A C 2.431 180.027 177.584 0.020 0.000 1.199 5278 A CA 2.196 54.243 52.037 0.017 0.000 0.621 5278 A CB -0.849 18.160 19.000 0.014 0.000 0.835 5278 A HN 0.433 nan 8.150 nan 0.000 0.445 5279 M N -0.652 118.959 119.600 0.020 0.000 2.149 5279 M HA -0.155 4.325 4.480 -0.000 0.000 0.261 5279 M C 2.057 178.376 176.300 0.032 0.000 1.064 5279 M CA 2.143 57.456 55.300 0.021 0.000 1.102 5279 M CB -0.352 32.259 32.600 0.019 0.000 1.369 5279 M HN 0.496 nan 8.290 nan 0.000 0.408 5280 T N 0.033 114.609 114.554 0.037 0.000 2.788 5280 T HA -0.107 4.243 4.350 -0.000 0.000 0.268 5280 T C 1.820 176.562 174.700 0.069 0.000 1.044 5280 T CA 1.746 63.879 62.100 0.054 0.000 1.139 5280 T CB -0.189 68.705 68.868 0.043 0.000 0.867 5280 T HN 0.446 nan 8.240 nan 0.000 0.454 5281 S N 1.149 116.879 115.700 0.050 0.000 2.345 5281 S HA 0.022 4.492 4.470 -0.000 0.000 0.220 5281 S C 2.061 176.689 174.600 0.047 0.000 1.031 5281 S CA 0.921 59.152 58.200 0.051 0.000 0.996 5281 S CB -0.397 62.823 63.200 0.034 0.000 0.882 5281 S HN 0.421 nan 8.310 nan 0.000 0.445 5282 I N 1.796 122.384 120.570 0.030 0.000 2.286 5282 I HA -0.124 4.046 4.170 -0.000 0.000 0.248 5282 I C 1.142 177.262 176.117 0.005 0.000 1.115 5282 I CA 0.652 61.960 61.300 0.014 0.000 1.392 5282 I CB -1.020 36.985 38.000 0.009 0.000 1.065 5282 I HN 0.330 nan 8.210 nan 0.000 0.418 5283 T N 0.096 114.661 114.554 0.019 0.000 2.934 5283 T HA 0.305 4.655 4.350 -0.000 0.000 0.306 5283 T C 1.091 175.766 174.700 -0.042 0.000 1.042 5283 T CA 0.138 62.239 62.100 0.001 0.000 1.145 5283 T CB 1.106 69.996 68.868 0.037 0.000 0.982 5283 T HN 0.646 nan 8.240 nan 0.000 0.544 5284 G N 1.944 110.663 108.800 -0.134 0.000 2.157 5284 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.239 5284 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.239 5284 G C -0.066 174.720 174.900 -0.190 0.000 0.982 5284 G CA 0.207 45.134 45.100 -0.288 0.000 0.650 5284 G HN 0.905 nan 8.290 nan 0.000 0.527 5285 K N -0.951 119.384 120.400 -0.108 0.000 2.352 5285 K HA 0.610 4.930 4.320 -0.000 0.000 0.240 5285 K C 1.610 178.165 176.600 -0.074 0.000 1.017 5285 K CA -0.556 55.682 56.287 -0.081 0.000 0.851 5285 K CB 1.268 33.739 32.500 -0.049 0.000 1.261 5285 K HN 0.173 nan 8.250 nan 0.000 0.451 5286 G N 0.511 109.267 108.800 -0.074 0.000 2.442 5286 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.219 5286 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.219 5286 G C 1.206 176.077 174.900 -0.049 0.000 1.141 5286 G CA 1.260 46.321 45.100 -0.066 0.000 0.763 5286 G HN 0.613 nan 8.290 nan 0.000 0.554 5287 A N 0.276 123.070 122.820 -0.043 0.000 2.209 5287 A HA 0.122 4.442 4.320 -0.000 0.000 0.212 5287 A C 2.018 179.588 177.584 -0.024 0.000 1.158 5287 A CA 1.455 53.475 52.037 -0.028 0.000 0.742 5287 A CB -0.247 18.740 19.000 -0.021 0.000 0.790 5287 A HN 0.368 nan 8.150 nan 0.000 0.472 5288 E N 0.965 121.146 120.200 -0.031 0.000 2.267 5288 E HA -0.218 4.132 4.350 -0.000 0.000 0.197 5288 E C 1.150 177.738 176.600 -0.020 0.000 0.998 5288 E CA 0.913 57.297 56.400 -0.026 0.000 0.830 5288 E CB -0.114 29.562 29.700 -0.040 0.000 0.751 5288 E HN 0.443 nan 8.360 nan 0.000 0.491 5289 K N -0.165 120.222 120.400 -0.021 0.000 2.160 5289 K HA -0.131 4.189 4.320 -0.000 0.000 0.206 5289 K C 1.258 177.851 176.600 -0.010 0.000 1.047 5289 K CA 1.250 57.528 56.287 -0.016 0.000 0.930 5289 K CB -0.109 32.381 32.500 -0.017 0.000 0.720 5289 K HN 0.112 nan 8.250 nan 0.000 0.450 5290 A N 1.451 124.266 122.820 -0.009 0.000 2.855 5290 A HA 0.106 4.426 4.320 -0.000 0.000 0.301 5290 A C 1.312 178.895 177.584 -0.002 0.000 1.076 5290 A CA -0.447 51.588 52.037 -0.004 0.000 1.004 5290 A CB 0.002 19.001 19.000 -0.002 0.000 1.152 5290 A HN 0.272 nan 8.150 nan 0.000 0.531 5291 K N -0.171 120.228 120.400 -0.002 0.000 2.147 5291 K HA -0.165 4.155 4.320 -0.000 0.000 0.205 5291 K C 0.930 177.533 176.600 0.005 0.000 1.049 5291 K CA 1.815 58.103 56.287 0.002 0.000 0.936 5291 K CB -0.074 32.427 32.500 0.002 0.000 0.722 5291 K HN 0.313 nan 8.250 nan 0.000 0.446 5292 E N 1.624 121.827 120.200 0.004 0.000 2.028 5292 E HA -0.128 4.222 4.350 -0.000 0.000 0.191 5292 E C 1.986 178.589 176.600 0.006 0.000 0.988 5292 E CA 1.379 57.782 56.400 0.006 0.000 0.799 5292 E CB -0.052 29.651 29.700 0.005 0.000 0.755 5292 E HN 0.372 nan 8.360 nan 0.000 0.447 5293 K N 0.218 120.621 120.400 0.005 0.000 2.026 5293 K HA -0.146 4.174 4.320 -0.000 0.000 0.208 5293 K C 1.809 178.414 176.600 0.008 0.000 1.048 5293 K CA 0.900 57.191 56.287 0.007 0.000 0.929 5293 K CB -0.050 32.453 32.500 0.006 0.000 0.713 5293 K HN -0.003 nan 8.250 nan 0.000 0.439 5294 L N 1.059 122.287 121.223 0.008 0.000 2.046 5294 L HA -0.105 4.235 4.340 -0.000 0.000 0.208 5294 L C 2.470 179.346 176.870 0.010 0.000 1.077 5294 L CA 1.982 56.827 54.840 0.009 0.000 0.747 5294 L CB -1.055 41.008 42.059 0.007 0.000 0.896 5294 L HN 0.254 nan 8.230 nan 0.000 0.432 5295 A N -0.995 121.831 122.820 0.010 0.000 1.933 5295 A HA -0.236 4.084 4.320 -0.000 0.000 0.218 5295 A C 2.305 179.895 177.584 0.011 0.000 1.175 5295 A CA 1.716 53.760 52.037 0.011 0.000 0.628 5295 A CB -0.456 18.551 19.000 0.012 0.000 0.814 5295 A HN 0.406 nan 8.150 nan 0.000 0.444 5296 E N 0.735 120.941 120.200 0.011 0.000 2.028 5296 E HA -0.174 4.176 4.350 -0.000 0.000 0.191 5296 E C 1.867 178.474 176.600 0.013 0.000 0.988 5296 E CA 1.726 58.133 56.400 0.011 0.000 0.799 5296 E CB -0.501 29.206 29.700 0.010 0.000 0.755 5296 E HN 0.724 nan 8.360 nan 0.000 0.447 5297 I N -1.461 119.117 120.570 0.013 0.000 2.286 5297 I HA -0.178 3.992 4.170 -0.000 0.000 0.248 5297 I C 2.220 178.345 176.117 0.015 0.000 1.115 5297 I CA 1.265 62.574 61.300 0.015 0.000 1.392 5297 I CB -0.455 37.554 38.000 0.016 0.000 1.065 5297 I HN 0.038 nan 8.210 nan 0.000 0.418 5298 I N 0.970 121.548 120.570 0.013 0.000 2.202 5298 I HA -0.179 3.991 4.170 -0.000 0.000 0.242 5298 I C 2.660 178.784 176.117 0.012 0.000 1.091 5298 I CA 1.028 62.336 61.300 0.013 0.000 1.368 5298 I CB -0.279 37.728 38.000 0.012 0.000 1.058 5298 I HN 0.085 nan 8.210 nan 0.000 0.410 5299 V N 0.828 120.750 119.914 0.012 0.000 2.343 5299 V HA -0.275 3.845 4.120 -0.000 0.000 0.247 5299 V C 2.522 178.624 176.094 0.013 0.000 1.051 5299 V CA 2.151 64.458 62.300 0.012 0.000 1.036 5299 V CB -0.582 31.248 31.823 0.012 0.000 0.654 5299 V HN 0.436 nan 8.190 nan 0.000 0.451 5300 E N 0.882 121.091 120.200 0.015 0.000 2.072 5300 E HA -0.160 4.190 4.350 -0.000 0.000 0.191 5300 E C 2.114 178.725 176.600 0.018 0.000 0.985 5300 E CA 1.674 58.084 56.400 0.017 0.000 0.801 5300 E CB -0.505 29.206 29.700 0.018 0.000 0.750 5300 E HN 0.484 nan 8.360 nan 0.000 0.452 5301 A N 0.227 123.056 122.820 0.016 0.000 1.883 5301 A HA -0.174 4.145 4.320 -0.000 0.000 0.217 5301 A C 2.529 180.121 177.584 0.014 0.000 1.186 5301 A CA 1.943 53.989 52.037 0.015 0.000 0.624 5301 A CB -0.963 18.045 19.000 0.013 0.000 0.822 5301 A HN 0.206 nan 8.150 nan 0.000 0.444 5302 V N -0.473 119.448 119.914 0.012 0.000 2.295 5302 V HA -0.215 3.905 4.120 -0.000 0.000 0.246 5302 V C 2.792 178.893 176.094 0.011 0.000 1.049 5302 V CA 2.325 64.631 62.300 0.010 0.000 1.024 5302 V CB -0.926 30.903 31.823 0.009 0.000 0.648 5302 V HN 0.664 nan 8.190 nan 0.000 0.447 5303 S N -0.217 115.491 115.700 0.012 0.000 2.383 5303 S HA -0.211 4.259 4.470 -0.000 0.000 0.229 5303 S C 2.074 176.683 174.600 0.015 0.000 1.030 5303 S CA 1.705 59.912 58.200 0.012 0.000 1.002 5303 S CB -0.313 62.895 63.200 0.014 0.000 0.829 5303 S HN 0.622 nan 8.310 nan 0.000 0.467 5304 A N 0.834 123.666 122.820 0.020 0.000 1.898 5304 A HA 0.015 4.335 4.320 -0.000 0.000 0.216 5304 A C 2.371 179.967 177.584 0.021 0.000 1.181 5304 A CA 1.735 53.788 52.037 0.027 0.000 0.620 5304 A CB -0.939 18.082 19.000 0.034 0.000 0.819 5304 A HN 0.945 nan 8.150 nan 0.000 0.442 5305 V N -3.166 116.757 119.914 0.015 0.000 2.951 5305 V HA -0.001 4.119 4.120 -0.000 0.000 0.255 5305 V C 2.059 178.157 176.094 0.006 0.000 1.088 5305 V CA 1.436 63.743 62.300 0.010 0.000 1.109 5305 V CB -0.541 31.286 31.823 0.007 0.000 0.724 5305 V HN 0.179 nan 8.190 nan 0.000 0.471 5306 V N 0.584 120.502 119.914 0.006 0.000 2.626 5306 V HA -0.124 3.996 4.120 -0.000 0.000 0.252 5306 V C 1.699 177.793 176.094 0.000 0.000 1.067 5306 V CA 2.445 64.747 62.300 0.003 0.000 1.081 5306 V CB -0.516 31.309 31.823 0.004 0.000 0.686 5306 V HN 0.850 nan 8.190 nan 0.000 0.468 5307 D N -0.731 119.669 120.400 -0.000 0.000 4.508 5307 D HA -0.222 4.418 4.640 -0.000 0.000 0.178 5307 D C 0.637 176.933 176.300 -0.007 0.000 0.644 5307 D CA 1.991 55.987 54.000 -0.006 0.000 1.244 5307 D CB -1.207 39.589 40.800 -0.007 0.000 0.727 5307 D HN 0.576 nan 8.370 nan 0.000 0.495 5308 D N 1.330 121.726 120.400 -0.007 0.000 2.377 5308 D HA 0.250 4.890 4.640 -0.000 0.000 0.245 5308 D C -0.212 176.086 176.300 -0.003 0.000 1.196 5308 D CA 0.102 54.098 54.000 -0.006 0.000 0.962 5308 D CB 0.619 41.415 40.800 -0.007 0.000 1.127 5308 D HN 0.290 nan 8.370 nan 0.000 0.471 5309 E N 0.337 120.535 120.200 -0.003 0.000 2.136 5309 E HA 0.512 4.862 4.350 -0.000 0.000 0.246 5309 E C -0.923 175.676 176.600 -0.001 0.000 1.017 5309 E CA -0.589 55.810 56.400 -0.001 0.000 0.883 5309 E CB -0.416 29.284 29.700 -0.001 0.000 1.199 5309 E HN 0.494 nan 8.360 nan 0.000 0.447 5310 G N 2.368 111.167 108.800 -0.000 0.000 2.405 5310 G HA2 0.232 4.192 3.960 -0.000 0.000 0.303 5310 G HA3 0.232 4.192 3.960 -0.000 0.000 0.303 5310 G C -1.923 172.977 174.900 0.000 0.000 1.644 5310 G CA -0.937 44.163 45.100 -0.000 0.000 0.899 5310 G HN 0.210 nan 8.290 nan 0.000 0.667 5311 K N 0.364 120.764 120.400 -0.000 0.000 2.427 5311 K HA 0.778 5.098 4.320 -0.000 0.000 0.252 5311 K C -1.293 175.307 176.600 0.001 0.000 0.931 5311 K CA -0.776 55.511 56.287 0.000 0.000 0.793 5311 K CB 2.346 34.845 32.500 -0.000 0.000 1.211 5311 K HN 1.021 nan 8.250 nan 0.000 0.426 5312 V N 2.886 122.800 119.914 0.001 0.000 2.555 5312 V HA 0.563 4.683 4.120 -0.000 0.000 0.302 5312 V C -1.579 174.515 176.094 0.001 0.000 1.038 5312 V CA -0.525 61.776 62.300 0.001 0.000 0.887 5312 V CB 1.842 33.667 31.823 0.003 0.000 0.991 5312 V HN 0.894 nan 8.190 nan 0.000 0.434 5313 D N 4.701 125.101 120.400 0.000 0.000 2.461 5313 D HA 0.248 4.888 4.640 -0.000 0.000 0.240 5313 D C 0.771 177.071 176.300 -0.001 0.000 1.094 5313 D CA -0.299 53.700 54.000 -0.001 0.000 0.868 5313 D CB 1.627 42.425 40.800 -0.003 0.000 1.062 5313 D HN 0.657 nan 8.370 nan 0.000 0.530 5314 K N 2.598 122.998 120.400 -0.001 0.000 2.520 5314 K HA -0.188 4.132 4.320 -0.000 0.000 0.197 5314 K C 0.823 177.421 176.600 -0.003 0.000 1.043 5314 K CA 0.878 57.165 56.287 -0.001 0.000 0.944 5314 K CB 0.235 32.735 32.500 0.001 0.000 0.770 5314 K HN 0.281 nan 8.250 nan 0.000 0.480 5315 D N 0.229 120.626 120.400 -0.005 0.000 2.264 5315 D HA -0.096 4.544 4.640 -0.000 0.000 0.208 5315 D C 1.320 177.614 176.300 -0.011 0.000 0.966 5315 D CA 0.732 54.727 54.000 -0.009 0.000 0.864 5315 D CB 0.176 40.971 40.800 -0.009 0.000 0.933 5315 D HN 0.258 nan 8.370 nan 0.000 0.499 5316 L N -0.106 121.112 121.223 -0.008 0.000 2.591 5316 L HA 0.194 4.534 4.340 -0.000 0.000 0.228 5316 L C 0.270 177.135 176.870 -0.007 0.000 1.133 5316 L CA 0.123 54.958 54.840 -0.009 0.000 0.880 5316 L CB 0.142 42.199 42.059 -0.004 0.000 1.033 5316 L HN 0.012 nan 8.230 nan 0.000 0.450 5317 I N 0.699 121.266 120.570 -0.006 0.000 2.405 5317 I HA 0.182 4.352 4.170 -0.000 0.000 0.280 5317 I C 0.126 176.238 176.117 -0.008 0.000 1.027 5317 I CA -0.325 60.972 61.300 -0.004 0.000 1.161 5317 I CB 1.260 39.261 38.000 0.001 0.000 1.300 5317 I HN -0.007 nan 8.210 nan 0.000 0.463 5318 K N 6.354 126.746 120.400 -0.013 0.000 2.185 5318 K HA 0.469 4.789 4.320 -0.000 0.000 0.271 5318 K C -0.738 175.854 176.600 -0.013 0.000 1.013 5318 K CA -0.470 55.806 56.287 -0.018 0.000 0.943 5318 K CB 1.059 33.541 32.500 -0.031 0.000 0.998 5318 K HN 0.437 nan 8.250 nan 0.000 0.468 5319 I N 3.930 124.493 120.570 -0.012 0.000 2.390 5319 I HA 0.166 4.336 4.170 -0.000 0.000 0.283 5319 I C -0.554 175.557 176.117 -0.010 0.000 1.016 5319 I CA -0.624 60.672 61.300 -0.006 0.000 1.151 5319 I CB 0.979 38.978 38.000 -0.000 0.000 1.293 5319 I HN 0.686 nan 8.210 nan 0.000 0.458 5320 E N 7.560 127.752 120.200 -0.013 0.000 2.151 5320 E HA 0.501 4.851 4.350 -0.000 0.000 0.275 5320 E C -0.890 175.710 176.600 0.000 0.000 0.936 5320 E CA -0.625 55.765 56.400 -0.016 0.000 0.777 5320 E CB 1.144 30.820 29.700 -0.040 0.000 1.108 5320 E HN 0.539 nan 8.360 nan 0.000 0.401 5321 K N 2.781 123.184 120.400 0.004 0.000 2.471 5321 K HA 0.616 4.936 4.320 -0.000 0.000 0.252 5321 K C -1.121 175.490 176.600 0.017 0.000 0.938 5321 K CA -1.164 55.131 56.287 0.015 0.000 0.796 5321 K CB 1.632 34.141 32.500 0.016 0.000 1.161 5321 K HN 0.179 nan 8.250 nan 0.000 0.425 5322 K N 1.875 122.290 120.400 0.025 0.000 2.578 5322 K HA 0.187 4.507 4.320 -0.000 0.000 0.250 5322 K C -1.017 175.600 176.600 0.030 0.000 0.955 5322 K CA -0.376 55.928 56.287 0.028 0.000 0.825 5322 K CB 2.071 34.593 32.500 0.035 0.000 1.151 5322 K HN 0.701 nan 8.250 nan 0.000 0.432 5323 S N 2.629 118.345 115.700 0.027 0.000 2.563 5323 S HA 0.563 5.033 4.470 -0.000 0.000 0.284 5323 S C 0.110 174.725 174.600 0.025 0.000 1.331 5323 S CA 1.270 59.485 58.200 0.025 0.000 1.047 5323 S CB -0.146 63.069 63.200 0.026 0.000 0.859 5323 S HN 1.087 nan 8.310 nan 0.000 0.514 5324 G N 1.503 110.316 108.800 0.021 0.000 2.375 5324 G HA2 0.518 4.478 3.960 -0.000 0.000 0.663 5324 G HA3 0.518 4.478 3.960 -0.000 0.000 0.663 5324 G C -0.115 174.796 174.900 0.018 0.000 1.391 5324 G CA -0.011 45.101 45.100 0.020 0.000 0.949 5324 G HN 2.129 nan 8.290 nan 0.000 0.646 5325 A N -0.627 122.202 122.820 0.014 0.000 5.949 5325 A HA 0.376 4.696 4.320 -0.000 0.000 0.275 5325 A C 1.158 178.746 177.584 0.008 0.000 2.055 5325 A CA 1.932 53.975 52.037 0.010 0.000 0.713 5325 A CB -1.612 17.396 19.000 0.013 0.000 1.146 5325 A HN 2.691 nan 8.150 nan 0.000 0.370 5326 S N -2.944 112.759 115.700 0.005 0.000 2.806 5326 S HA 0.639 5.109 4.470 -0.000 0.000 0.315 5326 S C 1.073 175.675 174.600 0.003 0.000 1.127 5326 S CA 0.218 58.419 58.200 0.002 0.000 0.918 5326 S CB 1.252 64.451 63.200 -0.001 0.000 1.240 5326 S HN 1.905 nan 8.310 nan 0.000 0.552 5327 I N 1.868 122.437 120.570 -0.002 0.000 2.493 5327 I HA -0.027 4.143 4.170 -0.000 0.000 0.254 5327 I C 1.283 177.400 176.117 0.000 0.000 1.160 5327 I CA 1.684 62.983 61.300 -0.002 0.000 1.445 5327 I CB -0.422 37.572 38.000 -0.009 0.000 1.086 5327 I HN 0.581 nan 8.210 nan 0.000 0.433 5328 D N 0.697 121.096 120.400 -0.001 0.000 2.178 5328 D HA -0.178 4.462 4.640 -0.000 0.000 0.201 5328 D C 1.560 177.862 176.300 0.003 0.000 0.980 5328 D CA 1.345 55.345 54.000 -0.000 0.000 0.842 5328 D CB -0.298 40.501 40.800 -0.002 0.000 0.948 5328 D HN 0.444 nan 8.370 nan 0.000 0.472 5329 D N -0.349 120.054 120.400 0.005 0.000 2.348 5329 D HA -0.030 4.610 4.640 -0.000 0.000 0.216 5329 D C 0.364 176.673 176.300 0.016 0.000 0.970 5329 D CA 0.501 54.506 54.000 0.009 0.000 0.889 5329 D CB -0.046 40.760 40.800 0.010 0.000 0.912 5329 D HN 0.020 nan 8.370 nan 0.000 0.524 5330 T N 1.322 115.886 114.554 0.016 0.000 2.939 5330 T HA 0.147 4.497 4.350 -0.000 0.000 0.319 5330 T C 0.318 175.033 174.700 0.024 0.000 1.082 5330 T CA 0.287 62.400 62.100 0.022 0.000 1.133 5330 T CB 0.422 69.300 68.868 0.016 0.000 1.019 5330 T HN 0.318 nan 8.240 nan 0.000 0.548 5331 E N 0.756 120.976 120.200 0.033 0.000 2.429 5331 E HA 0.554 4.904 4.350 -0.000 0.000 0.280 5331 E C -1.814 174.810 176.600 0.040 0.000 1.068 5331 E CA -1.082 55.339 56.400 0.034 0.000 0.837 5331 E CB 0.969 30.691 29.700 0.037 0.000 1.357 5331 E HN 0.349 nan 8.360 nan 0.000 0.455 5332 L N 1.225 122.470 121.223 0.036 0.000 2.317 5332 L HA 0.592 4.932 4.340 -0.000 0.000 0.281 5332 L C -1.532 175.366 176.870 0.047 0.000 1.024 5332 L CA -0.551 54.311 54.840 0.037 0.000 0.810 5332 L CB 1.344 43.419 42.059 0.026 0.000 1.240 5332 L HN 0.626 nan 8.230 nan 0.000 0.427 5333 I N 4.314 124.917 120.570 0.054 0.000 2.411 5333 I HA 0.327 4.497 4.170 -0.000 0.000 0.284 5333 I C -0.225 175.919 176.117 0.046 0.000 1.012 5333 I CA -0.476 60.866 61.300 0.069 0.000 1.119 5333 I CB 1.357 39.428 38.000 0.118 0.000 1.261 5333 I HN 0.419 nan 8.210 nan 0.000 0.448 5334 K N 4.799 125.221 120.400 0.036 0.000 2.199 5334 K HA 0.545 4.865 4.320 -0.000 0.000 0.226 5334 K C 0.427 177.041 176.600 0.023 0.000 1.237 5334 K CA 0.066 56.367 56.287 0.024 0.000 1.170 5334 K CB -0.336 32.172 32.500 0.013 0.000 1.418 5334 K HN 0.874 nan 8.250 nan 0.000 0.255 5335 G N -1.400 107.413 108.800 0.023 0.000 2.441 5335 G HA2 0.263 4.223 3.960 -0.000 0.000 0.225 5335 G HA3 0.263 4.223 3.960 -0.000 0.000 0.225 5335 G C -1.617 173.282 174.900 -0.001 0.000 1.200 5335 G CA -0.630 44.480 45.100 0.017 0.000 0.947 5335 G HN 0.064 nan 8.290 nan 0.000 0.484 5336 V N 0.381 120.285 119.914 -0.016 0.000 3.007 5336 V HA 0.746 4.866 4.120 -0.000 0.000 0.311 5336 V C -0.875 175.145 176.094 -0.125 0.000 1.120 5336 V CA -0.679 61.583 62.300 -0.063 0.000 0.980 5336 V CB 2.012 33.788 31.823 -0.079 0.000 1.033 5336 V HN 0.829 nan 8.190 nan 0.000 0.429 5337 L N 4.053 125.160 121.223 -0.194 0.000 2.345 5337 L HA 0.694 5.034 4.340 -0.000 0.000 0.274 5337 L C -1.204 175.507 176.870 -0.266 0.000 0.999 5337 L CA -0.367 54.239 54.840 -0.389 0.000 0.849 5337 L CB 1.459 43.227 42.059 -0.485 0.000 1.220 5337 L HN 0.487 nan 8.230 nan 0.000 0.422 5338 V N 3.326 123.099 119.914 -0.234 0.000 2.472 5338 V HA 0.254 4.374 4.120 -0.000 0.000 0.290 5338 V C -0.220 175.809 176.094 -0.108 0.000 1.037 5338 V CA -0.657 61.571 62.300 -0.121 0.000 0.908 5338 V CB 1.703 33.502 31.823 -0.040 0.000 0.985 5338 V HN 0.778 nan 8.190 nan 0.000 0.454 5339 D N 3.411 123.771 120.400 -0.066 0.000 2.896 5339 D HA 0.276 4.916 4.640 -0.000 0.000 0.240 5339 D C -0.142 176.155 176.300 -0.005 0.000 1.193 5339 D CA -0.257 53.719 54.000 -0.039 0.000 0.983 5339 D CB 0.202 40.983 40.800 -0.032 0.000 1.074 5339 D HN 0.500 nan 8.370 nan 0.000 0.496 5340 K N -0.088 120.318 120.400 0.010 0.000 2.439 5340 K HA 0.511 4.831 4.320 -0.000 0.000 0.260 5340 K C -0.633 175.987 176.600 0.034 0.000 1.032 5340 K CA -0.919 55.386 56.287 0.031 0.000 0.882 5340 K CB 2.544 35.080 32.500 0.059 0.000 1.420 5340 K HN 0.088 nan 8.250 nan 0.000 0.455 5341 E N 0.706 120.923 120.200 0.029 0.000 2.320 5341 E HA 0.288 4.638 4.350 -0.000 0.000 0.264 5341 E C -1.071 175.533 176.600 0.007 0.000 0.923 5341 E CA -0.840 55.574 56.400 0.024 0.000 0.796 5341 E CB 1.567 31.279 29.700 0.020 0.000 1.262 5341 E HN 0.288 nan 8.360 nan 0.000 0.428 5342 R N 1.825 122.326 120.500 0.002 0.000 2.404 5342 R HA 0.046 4.386 4.340 -0.000 0.000 0.315 5342 R C 1.089 177.378 176.300 -0.018 0.000 1.032 5342 R CA -0.224 55.862 56.100 -0.022 0.000 0.992 5342 R CB 0.471 30.761 30.300 -0.016 0.000 0.959 5342 R HN 0.376 nan 8.270 nan 0.000 0.428 5343 V N 1.773 121.668 119.914 -0.032 0.000 2.380 5343 V HA -0.203 3.917 4.120 -0.000 0.000 0.251 5343 V C 1.211 177.300 176.094 -0.010 0.000 1.063 5343 V CA 1.793 64.079 62.300 -0.023 0.000 1.055 5343 V CB -0.239 31.562 31.823 -0.036 0.000 0.657 5343 V HN 0.709 nan 8.190 nan 0.000 0.455 5344 S N -1.411 114.284 115.700 -0.007 0.000 2.501 5344 S HA 0.657 5.127 4.470 -0.000 0.000 0.301 5344 S C 0.872 175.479 174.600 0.011 0.000 1.096 5344 S CA -0.186 58.022 58.200 0.012 0.000 1.063 5344 S CB 1.894 65.111 63.200 0.029 0.000 1.042 5344 S HN 0.311 nan 8.310 nan 0.000 0.494 5345 A N 3.442 126.271 122.820 0.015 0.000 1.930 5345 A HA -0.023 4.297 4.320 -0.000 0.000 0.217 5345 A C 1.920 179.510 177.584 0.009 0.000 1.175 5345 A CA 1.022 53.065 52.037 0.010 0.000 0.627 5345 A CB -0.476 18.529 19.000 0.008 0.000 0.815 5345 A HN 0.806 nan 8.150 nan 0.000 0.443 5346 Q N -0.490 119.318 119.800 0.013 0.000 2.472 5346 Q HA 0.120 4.460 4.340 -0.000 0.000 0.208 5346 Q C 0.495 176.503 176.000 0.014 0.000 0.958 5346 Q CA 0.209 56.018 55.803 0.011 0.000 0.932 5346 Q CB -0.339 28.405 28.738 0.010 0.000 1.007 5346 Q HN 0.692 nan 8.270 nan 0.000 0.508 5347 M N 1.798 121.406 119.600 0.013 0.000 2.248 5347 M HA 0.092 4.572 4.480 -0.000 0.000 0.337 5347 M C -1.948 174.356 176.300 0.006 0.000 1.121 5347 M CA -1.428 53.877 55.300 0.008 0.000 1.155 5347 M CB -0.105 32.493 32.600 -0.003 0.000 1.514 5347 M HN -0.194 nan 8.290 nan 0.000 0.452 5348 P HA 0.003 nan 4.420 nan 0.000 0.267 5348 P C -0.328 176.976 177.300 0.007 0.000 1.200 5348 P CA 0.194 63.298 63.100 0.007 0.000 0.772 5348 P CB 0.468 32.173 31.700 0.007 0.000 0.855 5349 K N 1.269 121.674 120.400 0.008 0.000 2.393 5349 K HA 0.051 4.371 4.320 -0.000 0.000 0.193 5349 K C 0.089 176.697 176.600 0.014 0.000 1.026 5349 K CA 0.432 56.725 56.287 0.011 0.000 1.064 5349 K CB 0.183 32.689 32.500 0.009 0.000 0.833 5349 K HN 0.142 nan 8.250 nan 0.000 0.521 5350 K N 0.248 120.656 120.400 0.012 0.000 2.571 5350 K HA 0.228 4.548 4.320 -0.000 0.000 0.252 5350 K C -2.224 174.384 176.600 0.013 0.000 0.956 5350 K CA -0.657 55.638 56.287 0.013 0.000 0.822 5350 K CB 2.036 34.541 32.500 0.008 0.000 1.286 5350 K HN -0.117 nan 8.250 nan 0.000 0.439 5351 V N 3.894 123.819 119.914 0.018 0.000 2.638 5351 V HA 0.773 4.893 4.120 -0.000 0.000 0.306 5351 V C -1.257 174.849 176.094 0.020 0.000 1.052 5351 V CA -0.029 62.282 62.300 0.018 0.000 0.885 5351 V CB 1.984 33.820 31.823 0.021 0.000 0.999 5351 V HN 0.953 nan 8.190 nan 0.000 0.424 5352 T N 1.540 116.104 114.554 0.016 0.000 2.855 5352 T HA 0.515 4.865 4.350 -0.000 0.000 0.281 5352 T C 0.029 174.739 174.700 0.016 0.000 1.007 5352 T CA 0.175 62.284 62.100 0.015 0.000 1.009 5352 T CB 1.258 70.132 68.868 0.010 0.000 0.983 5352 T HN 1.075 nan 8.240 nan 0.000 0.455 5353 D N 0.677 121.086 120.400 0.016 0.000 2.689 5353 D HA -0.156 4.484 4.640 -0.000 0.000 0.237 5353 D C 0.397 176.710 176.300 0.022 0.000 1.148 5353 D CA 0.875 54.885 54.000 0.017 0.000 0.656 5353 D CB -1.216 39.592 40.800 0.013 0.000 1.050 5353 D HN 1.121 nan 8.370 nan 0.000 0.426 5354 A N 1.320 124.157 122.820 0.028 0.000 2.498 5354 A HA 0.368 4.688 4.320 -0.000 0.000 0.239 5354 A C 0.536 178.143 177.584 0.038 0.000 1.068 5354 A CA 0.233 52.291 52.037 0.035 0.000 0.766 5354 A CB 0.577 19.605 19.000 0.046 0.000 1.003 5354 A HN 0.162 nan 8.150 nan 0.000 0.497 5355 K N 2.485 122.908 120.400 0.038 0.000 2.389 5355 K HA 0.417 4.737 4.320 -0.000 0.000 0.261 5355 K C -1.254 175.379 176.600 0.054 0.000 1.014 5355 K CA -0.212 56.099 56.287 0.040 0.000 0.920 5355 K CB 1.062 33.581 32.500 0.031 0.000 1.149 5355 K HN 0.537 nan 8.250 nan 0.000 0.444 5356 I N 1.932 122.545 120.570 0.072 0.000 2.365 5356 I HA 0.299 4.469 4.170 -0.000 0.000 0.291 5356 I C 0.353 176.532 176.117 0.102 0.000 1.004 5356 I CA -0.374 60.992 61.300 0.111 0.000 1.311 5356 I CB 1.584 39.677 38.000 0.156 0.000 1.401 5356 I HN 0.486 nan 8.210 nan 0.000 0.491 5357 A N 6.444 129.335 122.820 0.117 0.000 2.318 5357 A HA 0.806 5.126 4.320 -0.000 0.000 0.324 5357 A C -1.129 176.544 177.584 0.147 0.000 1.170 5357 A CA -0.516 51.581 52.037 0.099 0.000 0.810 5357 A CB 0.973 20.012 19.000 0.066 0.000 1.198 5357 A HN 0.600 nan 8.150 nan 0.000 0.484 5358 L N 3.649 124.938 121.223 0.109 0.000 2.324 5358 L HA 0.580 4.920 4.340 -0.000 0.000 0.274 5358 L C -1.213 175.701 176.870 0.073 0.000 1.012 5358 L CA -0.011 54.895 54.840 0.110 0.000 0.859 5358 L CB 0.516 42.610 42.059 0.057 0.000 1.224 5358 L HN 0.646 nan 8.230 nan 0.000 0.429 5359 L N 4.214 125.486 121.223 0.082 0.000 2.334 5359 L HA 0.533 4.873 4.340 -0.000 0.000 0.276 5359 L C 0.805 177.706 176.870 0.052 0.000 1.014 5359 L CA -0.464 54.409 54.840 0.054 0.000 0.815 5359 L CB 1.835 43.922 42.059 0.046 0.000 1.268 5359 L HN 0.600 nan 8.230 nan 0.000 0.428 5360 N N 0.529 119.250 118.700 0.035 0.000 2.397 5360 N HA -0.022 4.718 4.740 -0.000 0.000 0.190 5360 N C 0.251 175.775 175.510 0.023 0.000 1.099 5360 N CA -0.158 52.909 53.050 0.029 0.000 0.876 5360 N CB 0.592 39.091 38.487 0.021 0.000 1.143 5360 N HN 0.580 nan 8.380 nan 0.000 0.468 5361 C N 2.492 121.804 119.300 0.021 0.000 2.644 5361 C HA 0.655 5.115 4.460 -0.000 0.000 0.417 5361 C C 1.003 176.002 174.990 0.016 0.000 1.304 5361 C CA -0.712 58.315 59.018 0.016 0.000 2.035 5361 C CB -0.814 26.936 27.740 0.016 0.000 2.673 5361 C HN 0.430 nan 8.230 nan 0.000 0.602 5362 A N 6.615 129.442 122.820 0.011 0.000 2.462 5362 A HA 0.455 4.774 4.320 -0.000 0.000 0.243 5362 A C 0.252 177.840 177.584 0.006 0.000 1.076 5362 A CA -0.129 51.912 52.037 0.007 0.000 0.773 5362 A CB 0.059 19.060 19.000 0.002 0.000 1.010 5362 A HN 0.799 nan 8.150 nan 0.000 0.493 5363 I N 3.271 123.843 120.570 0.003 0.000 2.234 5363 I HA 0.171 4.341 4.170 -0.000 0.000 0.287 5363 I C 0.618 176.734 176.117 -0.001 0.000 1.131 5363 I CA 0.431 61.734 61.300 0.005 0.000 1.335 5363 I CB -1.471 36.533 38.000 0.006 0.000 1.511 5363 I HN 0.887 nan 8.210 nan 0.000 0.588 5364 E N 3.751 123.952 120.200 0.002 0.000 2.431 5364 E HA 0.517 4.867 4.350 -0.000 0.000 0.268 5364 E C -0.668 175.937 176.600 0.008 0.000 0.953 5364 E CA -1.012 55.387 56.400 -0.001 0.000 0.810 5364 E CB 1.971 31.668 29.700 -0.006 0.000 1.369 5364 E HN -0.038 nan 8.360 nan 0.000 0.440 5365 I N 2.406 122.981 120.570 0.009 0.000 2.483 5365 I HA 0.081 4.251 4.170 -0.000 0.000 0.291 5365 I C 0.384 176.509 176.117 0.013 0.000 1.112 5365 I CA -0.155 61.155 61.300 0.016 0.000 1.350 5365 I CB -0.509 37.502 38.000 0.018 0.000 1.419 5365 I HN 0.411 nan 8.210 nan 0.000 0.523 5366 K N 5.939 126.348 120.400 0.015 0.000 2.414 5366 K HA 0.162 4.482 4.320 -0.000 0.000 0.272 5366 K C 0.265 176.873 176.600 0.014 0.000 0.993 5366 K CA -0.113 56.181 56.287 0.013 0.000 0.964 5366 K CB 1.084 33.592 32.500 0.014 0.000 0.925 5366 K HN 0.425 nan 8.250 nan 0.000 0.487 5367 E N 0.943 121.148 120.200 0.009 0.000 2.288 5367 E HA 0.168 4.518 4.350 -0.000 0.000 0.268 5367 E C -0.424 176.181 176.600 0.008 0.000 0.885 5367 E CA -0.612 55.792 56.400 0.008 0.000 0.767 5367 E CB 1.770 31.471 29.700 0.002 0.000 1.220 5367 E HN 0.622 nan 8.360 nan 0.000 0.427 5368 T N -0.286 114.273 114.554 0.008 0.000 2.903 5368 T HA 0.077 4.427 4.350 -0.000 0.000 0.314 5368 T C 1.071 175.774 174.700 0.004 0.000 1.078 5368 T CA -0.433 61.672 62.100 0.008 0.000 1.114 5368 T CB 0.960 69.834 68.868 0.009 0.000 0.987 5368 T HN 0.231 nan 8.240 nan 0.000 0.548 5369 E N 0.758 120.960 120.200 0.004 0.000 2.077 5369 E HA -0.055 4.295 4.350 -0.000 0.000 0.193 5369 E C 1.290 177.891 176.600 0.002 0.000 0.989 5369 E CA 0.976 57.377 56.400 0.003 0.000 0.800 5369 E CB -0.547 29.155 29.700 0.003 0.000 0.746 5369 E HN 0.805 nan 8.360 nan 0.000 0.452 5370 T N 1.597 116.152 114.554 0.002 0.000 2.919 5370 T HA -0.027 4.323 4.350 -0.000 0.000 0.302 5370 T C -0.188 174.512 174.700 -0.000 0.000 1.031 5370 T CA -0.564 61.537 62.100 0.002 0.000 1.127 5370 T CB 0.585 69.455 68.868 0.003 0.000 0.952 5370 T HN -0.153 nan 8.240 nan 0.000 0.540 5371 D N 2.519 122.918 120.400 -0.002 0.000 2.458 5371 D HA 0.426 5.066 4.640 -0.000 0.000 0.243 5371 D C -0.415 175.882 176.300 -0.006 0.000 1.146 5371 D CA 0.170 54.167 54.000 -0.005 0.000 0.877 5371 D CB 0.519 41.315 40.800 -0.006 0.000 1.176 5371 D HN 0.759 nan 8.370 nan 0.000 0.461 5372 A N 3.434 126.248 122.820 -0.010 0.000 2.556 5372 A HA 0.721 5.041 4.320 -0.000 0.000 0.294 5372 A C -0.893 176.675 177.584 -0.026 0.000 1.091 5372 A CA -0.693 51.337 52.037 -0.012 0.000 0.704 5372 A CB 1.699 20.696 19.000 -0.005 0.000 1.300 5372 A HN 0.588 nan 8.150 nan 0.000 0.406 5373 E N 0.615 120.794 120.200 -0.035 0.000 2.381 5373 E HA 0.454 4.804 4.350 -0.000 0.000 0.286 5373 E C -1.818 174.732 176.600 -0.083 0.000 0.960 5373 E CA -0.672 55.691 56.400 -0.062 0.000 0.793 5373 E CB 1.277 30.946 29.700 -0.052 0.000 1.225 5373 E HN 0.496 nan 8.360 nan 0.000 0.420 5374 I N 3.298 123.772 120.570 -0.159 0.000 2.496 5374 I HA 0.182 4.352 4.170 -0.000 0.000 0.285 5374 I C 0.173 176.191 176.117 -0.165 0.000 1.080 5374 I CA -0.028 61.126 61.300 -0.243 0.000 1.404 5374 I CB 0.551 38.165 38.000 -0.644 0.000 1.403 5374 I HN 0.293 nan 8.210 nan 0.000 0.539 5375 R N 7.357 127.810 120.500 -0.079 0.000 2.423 5375 R HA 0.443 4.783 4.340 -0.000 0.000 0.293 5375 R C -0.625 175.682 176.300 0.012 0.000 1.196 5375 R CA -0.571 55.511 56.100 -0.030 0.000 1.262 5375 R CB 0.204 30.502 30.300 -0.003 0.000 1.116 5375 R HN 0.554 nan 8.270 nan 0.000 0.566 5376 I N 1.900 122.465 120.570 -0.007 0.000 2.588 5376 I HA -0.001 4.169 4.170 -0.000 0.000 0.283 5376 I C 1.439 177.585 176.117 0.048 0.000 1.119 5376 I CA 0.563 61.898 61.300 0.058 0.000 1.419 5376 I CB 1.053 39.077 38.000 0.040 0.000 1.394 5376 I HN 0.524 nan 8.210 nan 0.000 0.562 5377 T N -0.750 113.843 114.554 0.066 0.000 3.087 5377 T HA 0.272 4.622 4.350 -0.000 0.000 0.283 5377 T C 0.070 174.795 174.700 0.042 0.000 0.956 5377 T CA -0.329 61.797 62.100 0.044 0.000 0.894 5377 T CB 0.303 69.195 68.868 0.039 0.000 1.160 5377 T HN 0.450 nan 8.240 nan 0.000 0.532 5378 D N 1.373 121.805 120.400 0.054 0.000 2.857 5378 D HA 0.322 4.962 4.640 -0.000 0.000 0.227 5378 D C -2.326 174.004 176.300 0.051 0.000 1.192 5378 D CA -1.510 52.516 54.000 0.043 0.000 0.857 5378 D CB 2.768 43.589 40.800 0.035 0.000 1.645 5378 D HN -0.235 nan 8.370 nan 0.000 0.482 5379 P HA -0.120 nan 4.420 nan 0.000 0.218 5379 P C 1.157 178.481 177.300 0.040 0.000 1.148 5379 P CA 1.066 64.189 63.100 0.037 0.000 0.822 5379 P CB 0.291 32.006 31.700 0.025 0.000 0.784 5380 A N -0.014 122.824 122.820 0.030 0.000 1.978 5380 A HA -0.236 4.084 4.320 -0.000 0.000 0.220 5380 A C 2.069 179.666 177.584 0.023 0.000 1.170 5380 A CA 1.653 53.701 52.037 0.018 0.000 0.636 5380 A CB -0.950 18.052 19.000 0.003 0.000 0.810 5380 A HN 0.195 nan 8.150 nan 0.000 0.448 5381 K N -0.453 119.983 120.400 0.060 0.000 2.155 5381 K HA 0.067 4.387 4.320 -0.000 0.000 0.203 5381 K C 1.688 178.430 176.600 0.237 0.000 1.052 5381 K CA 0.895 57.257 56.287 0.125 0.000 0.948 5381 K CB -0.311 32.342 32.500 0.255 0.000 0.728 5381 K HN 0.476 nan 8.250 nan 0.000 0.448 5382 L N 0.411 121.730 121.223 0.160 0.000 2.127 5382 L HA -0.214 4.126 4.340 -0.000 0.000 0.211 5382 L C 2.384 179.329 176.870 0.125 0.000 1.089 5382 L CA 0.949 55.872 54.840 0.139 0.000 0.757 5382 L CB -0.310 41.795 42.059 0.077 0.000 0.899 5382 L HN 0.257 nan 8.230 nan 0.000 0.434 5383 M N -1.405 118.245 119.600 0.083 0.000 2.357 5383 M HA -0.074 4.406 4.480 -0.000 0.000 0.266 5383 M C 2.190 178.509 176.300 0.031 0.000 1.095 5383 M CA 1.049 56.380 55.300 0.052 0.000 1.156 5383 M CB -0.952 31.663 32.600 0.026 0.000 1.365 5383 M HN 0.189 nan 8.290 nan 0.000 0.447 5384 E N 0.664 120.856 120.200 -0.013 0.000 2.070 5384 E HA -0.198 4.152 4.350 -0.000 0.000 0.197 5384 E C 1.937 178.436 176.600 -0.169 0.000 1.004 5384 E CA 1.708 58.023 56.400 -0.142 0.000 0.805 5384 E CB -0.195 29.336 29.700 -0.281 0.000 0.744 5384 E HN 0.455 nan 8.360 nan 0.000 0.451 5385 F N 0.399 120.353 119.950 0.007 0.000 2.206 5385 F HA -0.017 4.510 4.527 0.000 0.000 0.298 5385 F C 2.515 178.321 175.800 0.010 0.000 1.090 5385 F CA 0.573 58.577 58.000 0.007 0.000 1.323 5385 F CB -0.195 38.809 39.000 0.006 0.000 1.028 5385 F HN -0.016 nan 8.300 nan 0.000 0.492 5386 I N -0.028 120.656 120.570 0.190 0.000 2.163 5386 I HA -0.268 3.902 4.170 -0.000 0.000 0.243 5386 I C 2.288 178.451 176.117 0.076 0.000 1.085 5386 I CA 1.304 62.671 61.300 0.113 0.000 1.347 5386 I CB -0.391 37.659 38.000 0.084 0.000 1.044 5386 I HN 0.109 nan 8.210 nan 0.000 0.408 5387 E N 0.199 120.429 120.200 0.050 0.000 2.150 5387 E HA -0.252 4.098 4.350 -0.000 0.000 0.193 5387 E C 2.022 178.634 176.600 0.021 0.000 0.985 5387 E CA 0.950 57.365 56.400 0.026 0.000 0.814 5387 E CB -0.189 29.513 29.700 0.003 0.000 0.752 5387 E HN 0.447 nan 8.360 nan 0.000 0.466 5388 Q N 1.347 121.159 119.800 0.020 0.000 2.079 5388 Q HA -0.133 4.207 4.340 -0.000 0.000 0.200 5388 Q C 1.673 177.703 176.000 0.050 0.000 0.974 5388 Q CA 1.576 57.390 55.803 0.019 0.000 0.840 5388 Q CB 0.018 28.759 28.738 0.004 0.000 0.898 5388 Q HN 0.287 nan 8.270 nan 0.000 0.430 5389 E N -0.408 119.838 120.200 0.076 0.000 2.152 5389 E HA -0.143 4.207 4.350 -0.000 0.000 0.192 5389 E C 1.844 178.481 176.600 0.061 0.000 0.983 5389 E CA 0.809 57.252 56.400 0.072 0.000 0.818 5389 E CB 0.095 29.842 29.700 0.079 0.000 0.758 5389 E HN 0.347 nan 8.360 nan 0.000 0.467 5390 E N 1.051 121.287 120.200 0.060 0.000 2.072 5390 E HA -0.176 4.174 4.350 -0.000 0.000 0.191 5390 E C 1.909 178.541 176.600 0.052 0.000 0.985 5390 E CA 0.847 57.286 56.400 0.065 0.000 0.801 5390 E CB -0.113 29.622 29.700 0.058 0.000 0.750 5390 E HN 0.164 nan 8.360 nan 0.000 0.452 5391 K N 0.653 121.073 120.400 0.034 0.000 2.026 5391 K HA -0.110 4.210 4.320 -0.000 0.000 0.208 5391 K C 2.282 178.898 176.600 0.026 0.000 1.048 5391 K CA 1.359 57.658 56.287 0.020 0.000 0.929 5391 K CB -0.161 32.344 32.500 0.009 0.000 0.713 5391 K HN 0.040 nan 8.250 nan 0.000 0.439 5392 M N 0.938 120.558 119.600 0.033 0.000 2.108 5392 M HA -0.191 4.289 4.480 -0.000 0.000 0.261 5392 M C 2.085 178.410 176.300 0.042 0.000 1.066 5392 M CA 1.472 56.793 55.300 0.035 0.000 1.107 5392 M CB -0.068 32.555 32.600 0.038 0.000 1.356 5392 M HN 0.357 nan 8.290 nan 0.000 0.406 5393 L N 0.095 121.352 121.223 0.056 0.000 2.027 5393 L HA -0.223 4.117 4.340 -0.000 0.000 0.206 5393 L C 2.249 179.177 176.870 0.096 0.000 1.074 5393 L CA 1.546 56.432 54.840 0.077 0.000 0.745 5393 L CB -0.303 41.813 42.059 0.096 0.000 0.898 5393 L HN 0.280 nan 8.230 nan 0.000 0.433 5394 K N -0.349 120.099 120.400 0.080 0.000 2.097 5394 K HA -0.176 4.144 4.320 -0.000 0.000 0.206 5394 K C 1.657 178.270 176.600 0.022 0.000 1.049 5394 K CA 1.576 57.885 56.287 0.038 0.000 0.933 5394 K CB -0.162 32.329 32.500 -0.015 0.000 0.717 5394 K HN 0.356 nan 8.250 nan 0.000 0.442 5395 D N 0.529 120.942 120.400 0.022 0.000 2.144 5395 D HA -0.127 4.513 4.640 -0.000 0.000 0.199 5395 D C 1.937 178.250 176.300 0.022 0.000 0.984 5395 D CA 0.996 55.005 54.000 0.015 0.000 0.834 5395 D CB 0.003 40.812 40.800 0.014 0.000 0.955 5395 D HN 0.069 nan 8.370 nan 0.000 0.465 5396 M N 0.375 119.994 119.600 0.032 0.000 2.084 5396 M HA -0.139 4.341 4.480 -0.000 0.000 0.259 5396 M C 2.455 178.777 176.300 0.037 0.000 1.072 5396 M CA 0.946 56.266 55.300 0.034 0.000 1.107 5396 M CB -1.093 31.530 32.600 0.039 0.000 1.299 5396 M HN -0.071 nan 8.290 nan 0.000 0.413 5397 V N 0.596 120.543 119.914 0.055 0.000 2.287 5397 V HA -0.261 3.859 4.120 -0.000 0.000 0.248 5397 V C 2.734 178.851 176.094 0.038 0.000 1.053 5397 V CA 1.946 64.284 62.300 0.064 0.000 1.027 5397 V CB -1.461 30.436 31.823 0.124 0.000 0.646 5397 V HN 0.543 nan 8.190 nan 0.000 0.447 5398 A N -0.155 122.679 122.820 0.022 0.000 1.940 5398 A HA -0.285 4.035 4.320 -0.000 0.000 0.219 5398 A C 2.192 179.781 177.584 0.009 0.000 1.176 5398 A CA 2.184 54.224 52.037 0.005 0.000 0.631 5398 A CB -0.527 18.469 19.000 -0.007 0.000 0.814 5398 A HN 0.570 nan 8.150 nan 0.000 0.446 5399 E N 0.269 120.478 120.200 0.014 0.000 2.077 5399 E HA -0.130 4.220 4.350 -0.000 0.000 0.193 5399 E C 1.696 178.306 176.600 0.017 0.000 0.989 5399 E CA 1.381 57.790 56.400 0.014 0.000 0.800 5399 E CB -0.394 29.316 29.700 0.016 0.000 0.746 5399 E HN 0.657 nan 8.360 nan 0.000 0.452 5400 I N 0.616 121.198 120.570 0.021 0.000 2.142 5400 I HA -0.277 3.893 4.170 -0.000 0.000 0.240 5400 I C 2.619 178.747 176.117 0.020 0.000 1.078 5400 I CA 1.287 62.601 61.300 0.022 0.000 1.343 5400 I CB -0.444 37.571 38.000 0.025 0.000 1.046 5400 I HN 0.102 nan 8.210 nan 0.000 0.405 5401 K N 1.678 122.089 120.400 0.018 0.000 2.063 5401 K HA -0.197 4.123 4.320 -0.000 0.000 0.208 5401 K C 2.127 178.734 176.600 0.011 0.000 1.048 5401 K CA 1.807 58.103 56.287 0.015 0.000 0.928 5401 K CB -0.240 32.267 32.500 0.011 0.000 0.713 5401 K HN 0.317 nan 8.250 nan 0.000 0.442 5402 A N 0.507 123.333 122.820 0.010 0.000 2.024 5402 A HA -0.149 4.171 4.320 -0.000 0.000 0.220 5402 A C 2.239 179.829 177.584 0.010 0.000 1.164 5402 A CA 2.166 54.208 52.037 0.008 0.000 0.643 5402 A CB -0.653 18.351 19.000 0.007 0.000 0.806 5402 A HN 0.440 nan 8.150 nan 0.000 0.451 5403 S N -1.968 113.741 115.700 0.014 0.000 2.447 5403 S HA 0.216 4.686 4.470 -0.000 0.000 0.233 5403 S C 1.483 176.092 174.600 0.016 0.000 1.006 5403 S CA 1.625 59.834 58.200 0.016 0.000 0.957 5403 S CB -0.322 62.890 63.200 0.019 0.000 0.773 5403 S HN 1.818 nan 8.310 nan 0.000 0.507 5404 G N -0.011 108.798 108.800 0.015 0.000 2.176 5404 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.232 5404 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.232 5404 G C 0.152 175.063 174.900 0.019 0.000 0.986 5404 G CA 0.111 45.221 45.100 0.016 0.000 0.643 5404 G HN 1.019 nan 8.290 nan 0.000 0.522 5405 A N 0.048 122.881 122.820 0.022 0.000 2.477 5405 A HA 0.600 4.920 4.320 -0.000 0.000 0.246 5405 A C 1.080 178.676 177.584 0.020 0.000 1.078 5405 A CA 0.776 52.828 52.037 0.026 0.000 0.770 5405 A CB 0.183 19.201 19.000 0.030 0.000 1.011 5405 A HN 0.378 nan 8.150 nan 0.000 0.494 5406 N N 0.486 119.199 118.700 0.021 0.000 2.159 5406 N HA 0.167 4.907 4.740 -0.000 0.000 0.217 5406 N C -0.881 174.630 175.510 0.002 0.000 1.223 5406 N CA 0.369 53.427 53.050 0.013 0.000 0.896 5406 N CB 1.238 39.734 38.487 0.016 0.000 1.064 5406 N HN 0.360 nan 8.380 nan 0.000 0.518 5407 V N 1.887 121.806 119.914 0.008 0.000 2.709 5407 V HA 0.510 4.630 4.120 -0.000 0.000 0.308 5407 V C -1.077 175.006 176.094 -0.019 0.000 1.062 5407 V CA -0.908 61.377 62.300 -0.024 0.000 0.901 5407 V CB 2.697 34.541 31.823 0.036 0.000 1.003 5407 V HN -0.033 nan 8.190 nan 0.000 0.425 5408 L N 4.560 125.705 121.223 -0.130 0.000 2.470 5408 L HA 0.726 5.066 4.340 -0.000 0.000 0.268 5408 L C -1.729 174.999 176.870 -0.238 0.000 0.964 5408 L CA -0.045 54.750 54.840 -0.075 0.000 0.839 5408 L CB 1.767 43.802 42.059 -0.040 0.000 1.276 5408 L HN 0.476 nan 8.230 nan 0.000 0.403 5409 F N 4.865 124.819 119.950 0.006 0.000 2.388 5409 F HA 0.525 5.052 4.527 -0.000 0.000 0.358 5409 F C 0.207 176.008 175.800 0.001 0.000 1.122 5409 F CA -0.240 57.761 58.000 0.002 0.000 1.056 5409 F CB 1.435 40.435 39.000 0.001 0.000 1.155 5409 F HN 0.575 nan 8.300 nan 0.000 0.461 5410 C N 4.694 124.065 119.300 0.118 0.000 2.376 5410 C HA 0.287 4.747 4.460 -0.000 0.000 0.335 5410 C C 1.503 176.540 174.990 0.079 0.000 1.229 5410 C CA -0.377 58.687 59.018 0.075 0.000 1.867 5410 C CB 1.183 28.938 27.740 0.024 0.000 2.319 5410 C HN 0.946 nan 8.230 nan 0.000 0.515 5411 Q N 2.832 122.668 119.800 0.059 0.000 2.062 5411 Q HA 0.007 4.347 4.340 -0.000 0.000 0.196 5411 Q C 1.106 177.124 176.000 0.030 0.000 0.967 5411 Q CA 1.481 57.312 55.803 0.046 0.000 0.832 5411 Q CB 0.132 28.890 28.738 0.033 0.000 0.899 5411 Q HN 0.696 nan 8.270 nan 0.000 0.442 5412 K N -0.294 120.118 120.400 0.021 0.000 2.894 5412 K HA 0.301 4.621 4.320 -0.000 0.000 0.325 5412 K C 0.583 177.186 176.600 0.004 0.000 0.984 5412 K CA 0.211 56.504 56.287 0.010 0.000 1.266 5412 K CB -0.894 31.609 32.500 0.006 0.000 1.423 5412 K HN 0.169 nan 8.250 nan 0.000 0.614 5413 G N 0.231 109.028 108.800 -0.005 0.000 2.504 5413 G HA2 0.552 4.512 3.960 -0.000 0.000 0.288 5413 G HA3 0.552 4.512 3.960 -0.000 0.000 0.288 5413 G C -0.556 174.329 174.900 -0.025 0.000 1.182 5413 G CA -0.582 44.508 45.100 -0.016 0.000 0.894 5413 G HN 0.300 nan 8.290 nan 0.000 0.521 5414 I N 1.132 121.679 120.570 -0.040 0.000 2.439 5414 I HA 0.148 4.318 4.170 -0.000 0.000 0.283 5414 I C -0.344 175.722 176.117 -0.085 0.000 1.023 5414 I CA -0.738 60.527 61.300 -0.059 0.000 1.100 5414 I CB 1.803 39.766 38.000 -0.062 0.000 1.238 5414 I HN 0.450 nan 8.210 nan 0.000 0.445 5415 D N 5.008 125.350 120.400 -0.097 0.000 2.449 5415 D HA -0.082 4.558 4.640 -0.000 0.000 0.236 5415 D C 0.638 176.810 176.300 -0.213 0.000 1.149 5415 D CA 0.278 54.200 54.000 -0.130 0.000 0.878 5415 D CB 1.278 42.006 40.800 -0.120 0.000 1.198 5415 D HN 0.476 nan 8.370 nan 0.000 0.446 5416 D N 2.474 122.725 120.400 -0.250 0.000 2.133 5416 D HA -0.183 4.457 4.640 -0.000 0.000 0.195 5416 D C 1.757 177.560 176.300 -0.828 0.000 0.997 5416 D CA 0.687 54.433 54.000 -0.424 0.000 0.840 5416 D CB -0.104 40.505 40.800 -0.319 0.000 0.947 5416 D HN 0.338 nan 8.370 nan 0.000 0.452 5417 L N 0.808 121.648 121.223 -0.637 0.000 2.042 5417 L HA -0.110 4.230 4.340 -0.000 0.000 0.210 5417 L C 2.134 178.533 176.870 -0.785 0.000 1.076 5417 L CA 1.752 56.164 54.840 -0.713 0.000 0.749 5417 L CB -0.753 41.040 42.059 -0.443 0.000 0.893 5417 L HN -0.010 nan 8.230 nan 0.000 0.432 5418 A N -1.253 121.280 122.820 -0.477 0.000 1.902 5418 A HA -0.265 4.055 4.320 -0.000 0.000 0.217 5418 A C 2.162 179.629 177.584 -0.195 0.000 1.181 5418 A CA 1.798 53.668 52.037 -0.278 0.000 0.623 5418 A CB -0.554 18.362 19.000 -0.140 0.000 0.818 5418 A HN 0.656 nan 8.150 nan 0.000 0.443 5419 Q N -1.001 118.659 119.800 -0.233 0.000 2.096 5419 Q HA -0.227 4.113 4.340 -0.000 0.000 0.204 5419 Q C 1.913 177.911 176.000 -0.003 0.000 0.982 5419 Q CA 1.836 57.568 55.803 -0.119 0.000 0.850 5419 Q CB -0.412 28.250 28.738 -0.126 0.000 0.901 5419 Q HN 0.897 nan 8.270 nan 0.000 0.422 5420 H N -1.105 117.886 119.070 -0.130 0.000 2.321 5420 H HA -0.160 4.396 4.556 -0.000 0.000 0.300 5420 H C 1.722 177.102 175.328 0.087 0.000 1.087 5420 H CA 1.103 57.109 56.048 -0.069 0.000 1.319 5420 H CB 0.067 29.741 29.762 -0.146 0.000 1.379 5420 H HN 0.252 nan 8.280 nan 0.000 0.501 5421 Y N 0.775 121.144 120.300 0.114 0.000 2.200 5421 Y HA -0.137 4.413 4.550 0.000 0.000 0.290 5421 Y C 2.549 178.468 175.900 0.032 0.000 1.137 5421 Y CA 0.490 58.624 58.100 0.056 0.000 1.163 5421 Y CB -0.884 37.596 38.460 0.034 0.000 0.988 5421 Y HN 0.140 nan 8.280 nan 0.000 0.518 5422 L N -0.525 120.803 121.223 0.174 0.000 2.042 5422 L HA -0.268 4.072 4.340 -0.000 0.000 0.210 5422 L C 2.662 179.572 176.870 0.066 0.000 1.076 5422 L CA 1.386 56.277 54.840 0.084 0.000 0.749 5422 L CB -0.871 41.206 42.059 0.030 0.000 0.893 5422 L HN 0.194 nan 8.230 nan 0.000 0.432 5423 A N -0.044 122.822 122.820 0.078 0.000 1.898 5423 A HA -0.208 4.112 4.320 -0.000 0.000 0.216 5423 A C 2.310 179.932 177.584 0.062 0.000 1.181 5423 A CA 1.622 53.696 52.037 0.061 0.000 0.620 5423 A CB -0.347 18.695 19.000 0.070 0.000 0.819 5423 A HN 0.311 nan 8.150 nan 0.000 0.442 5424 K N -0.288 120.168 120.400 0.093 0.000 2.209 5424 K HA -0.088 4.232 4.320 -0.000 0.000 0.204 5424 K C 1.207 177.836 176.600 0.047 0.000 1.048 5424 K CA 1.175 57.506 56.287 0.072 0.000 0.940 5424 K CB -0.009 32.551 32.500 0.100 0.000 0.729 5424 K HN 0.400 nan 8.250 nan 0.000 0.451 5425 E N -0.305 119.927 120.200 0.053 0.000 2.489 5425 E HA 0.008 4.358 4.350 -0.000 0.000 0.193 5425 E C 0.847 177.461 176.600 0.024 0.000 1.057 5425 E CA 0.420 56.840 56.400 0.032 0.000 0.866 5425 E CB 0.480 30.202 29.700 0.036 0.000 0.916 5425 E HN 0.456 nan 8.360 nan 0.000 0.500 5426 G N 2.124 110.939 108.800 0.025 0.000 2.225 5426 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.267 5426 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.267 5426 G C 0.306 175.212 174.900 0.011 0.000 1.024 5426 G CA 0.302 45.411 45.100 0.016 0.000 0.784 5426 G HN 0.286 nan 8.290 nan 0.000 0.507 5427 I N 0.240 120.817 120.570 0.012 0.000 2.395 5427 I HA 0.341 4.511 4.170 -0.000 0.000 0.289 5427 I C 0.779 176.884 176.117 -0.020 0.000 1.023 5427 I CA -0.873 60.426 61.300 -0.001 0.000 1.350 5427 I CB 1.560 39.562 38.000 0.004 0.000 1.409 5427 I HN -0.125 nan 8.210 nan 0.000 0.507 5428 V N 5.988 125.876 119.914 -0.043 0.000 2.465 5428 V HA 0.667 4.787 4.120 -0.000 0.000 0.279 5428 V C 0.347 176.351 176.094 -0.151 0.000 1.045 5428 V CA -0.279 61.973 62.300 -0.080 0.000 0.938 5428 V CB 1.269 33.046 31.823 -0.077 0.000 0.986 5428 V HN 0.872 nan 8.190 nan 0.000 0.467 5429 A N 4.010 126.730 122.820 -0.168 0.000 2.454 5429 A HA 0.986 5.306 4.320 -0.000 0.000 0.302 5429 A C -0.544 176.884 177.584 -0.260 0.000 1.079 5429 A CA -0.358 51.546 52.037 -0.222 0.000 0.731 5429 A CB 1.950 20.875 19.000 -0.124 0.000 1.299 5429 A HN 1.354 nan 8.150 nan 0.000 0.413 5430 A N 1.478 124.097 122.820 -0.336 0.000 2.393 5430 A HA 0.796 5.116 4.320 -0.000 0.000 0.306 5430 A C -0.121 177.413 177.584 -0.082 0.000 1.050 5430 A CA -0.647 51.259 52.037 -0.218 0.000 0.724 5430 A CB 1.010 19.826 19.000 -0.307 0.000 1.248 5430 A HN 1.258 nan 8.150 nan 0.000 0.424 5431 R N 1.475 121.957 120.500 -0.031 0.000 2.875 5431 R HA 0.735 5.075 4.340 -0.000 0.000 0.251 5431 R C -0.473 175.840 176.300 0.022 0.000 1.123 5431 R CA -0.808 55.289 56.100 -0.004 0.000 1.064 5431 R CB 0.492 30.779 30.300 -0.022 0.000 1.205 5431 R HN 0.489 nan 8.270 nan 0.000 0.503 5432 R N -0.552 119.960 120.500 0.019 0.000 3.405 5432 R HA -0.109 4.231 4.340 -0.000 0.000 0.258 5432 R C -0.671 175.650 176.300 0.035 0.000 1.030 5432 R CA 0.563 56.675 56.100 0.020 0.000 0.691 5432 R CB -2.545 27.761 30.300 0.010 0.000 1.093 5432 R HN 0.509 nan 8.270 nan 0.000 0.448 5433 V N 1.045 120.992 119.914 0.055 0.000 2.686 5433 V HA 0.086 4.205 4.120 -0.000 0.000 0.295 5433 V C 1.469 177.584 176.094 0.035 0.000 1.055 5433 V CA -0.309 62.030 62.300 0.066 0.000 1.050 5433 V CB 1.397 33.287 31.823 0.112 0.000 0.984 5433 V HN 0.175 nan 8.190 nan 0.000 0.482 5434 K N 3.367 123.780 120.400 0.022 0.000 2.414 5434 K HA 0.024 4.343 4.320 -0.000 0.000 0.272 5434 K C 1.345 177.948 176.600 0.005 0.000 0.993 5434 K CA -0.242 56.050 56.287 0.009 0.000 0.964 5434 K CB 0.366 32.866 32.500 0.001 0.000 0.925 5434 K HN 0.619 nan 8.250 nan 0.000 0.487 5435 K N 1.851 122.253 120.400 0.003 0.000 2.057 5435 K HA -0.119 4.201 4.320 -0.000 0.000 0.207 5435 K C 1.529 178.125 176.600 -0.008 0.000 1.049 5435 K CA 1.809 58.096 56.287 0.000 0.000 0.931 5435 K CB -0.130 32.370 32.500 0.001 0.000 0.714 5435 K HN 0.600 nan 8.250 nan 0.000 0.440 5436 S N 1.516 117.210 115.700 -0.010 0.000 2.399 5436 S HA -0.115 4.355 4.470 -0.000 0.000 0.231 5436 S C 1.340 175.924 174.600 -0.026 0.000 1.022 5436 S CA 1.344 59.535 58.200 -0.016 0.000 0.983 5436 S CB -0.185 63.007 63.200 -0.014 0.000 0.803 5436 S HN 0.343 nan 8.310 nan 0.000 0.480 5437 D N 1.120 121.503 120.400 -0.027 0.000 2.144 5437 D HA 0.013 4.653 4.640 -0.000 0.000 0.200 5437 D C 1.865 178.125 176.300 -0.066 0.000 0.978 5437 D CA 0.726 54.698 54.000 -0.046 0.000 0.833 5437 D CB -0.188 40.591 40.800 -0.035 0.000 0.961 5437 D HN 0.242 nan 8.370 nan 0.000 0.470 5438 M N 0.541 120.116 119.600 -0.042 0.000 2.149 5438 M HA -0.118 4.362 4.480 -0.000 0.000 0.261 5438 M C 1.878 178.147 176.300 -0.052 0.000 1.064 5438 M CA 1.297 56.572 55.300 -0.042 0.000 1.102 5438 M CB -0.812 31.783 32.600 -0.008 0.000 1.369 5438 M HN 0.121 nan 8.290 nan 0.000 0.408 5439 E N -0.201 119.975 120.200 -0.040 0.000 2.107 5439 E HA -0.131 4.219 4.350 -0.000 0.000 0.191 5439 E C 2.069 178.640 176.600 -0.048 0.000 0.982 5439 E CA 0.785 57.164 56.400 -0.036 0.000 0.809 5439 E CB 0.016 29.701 29.700 -0.025 0.000 0.756 5439 E HN 0.492 nan 8.360 nan 0.000 0.459 5440 K N 0.573 120.939 120.400 -0.058 0.000 2.097 5440 K HA -0.070 4.250 4.320 -0.000 0.000 0.205 5440 K C 2.146 178.689 176.600 -0.094 0.000 1.050 5440 K CA 0.706 56.953 56.287 -0.066 0.000 0.938 5440 K CB -0.009 32.452 32.500 -0.065 0.000 0.718 5440 K HN 0.112 nan 8.250 nan 0.000 0.442 5441 L N 0.323 121.466 121.223 -0.134 0.000 2.093 5441 L HA -0.159 4.181 4.340 -0.000 0.000 0.208 5441 L C 2.525 179.309 176.870 -0.142 0.000 1.085 5441 L CA 0.921 55.639 54.840 -0.203 0.000 0.755 5441 L CB -0.477 41.382 42.059 -0.332 0.000 0.904 5441 L HN 0.194 nan 8.230 nan 0.000 0.435 5442 A N 0.223 122.988 122.820 -0.093 0.000 1.873 5442 A HA -0.205 4.115 4.320 -0.000 0.000 0.215 5442 A C 2.319 179.878 177.584 -0.042 0.000 1.186 5442 A CA 1.565 53.569 52.037 -0.054 0.000 0.616 5442 A CB -0.304 18.675 19.000 -0.035 0.000 0.823 5442 A HN 0.280 nan 8.150 nan 0.000 0.442 5443 K N -0.252 120.123 120.400 -0.042 0.000 2.009 5443 K HA -0.097 4.223 4.320 -0.000 0.000 0.210 5443 K C 2.388 178.969 176.600 -0.030 0.000 1.049 5443 K CA 1.282 57.551 56.287 -0.030 0.000 0.929 5443 K CB -0.372 32.111 32.500 -0.029 0.000 0.714 5443 K HN 0.436 nan 8.250 nan 0.000 0.440 5444 A N 0.889 123.681 122.820 -0.047 0.000 1.832 5444 A HA -0.142 4.178 4.320 -0.000 0.000 0.214 5444 A C 2.291 179.853 177.584 -0.036 0.000 1.200 5444 A CA 2.135 54.145 52.037 -0.044 0.000 0.610 5444 A CB -1.092 17.868 19.000 -0.067 0.000 0.842 5444 A HN 0.268 nan 8.150 nan 0.000 0.444 5445 T N -0.873 113.648 114.554 -0.055 0.000 2.951 5445 T HA 0.284 4.634 4.350 -0.000 0.000 0.268 5445 T C 1.321 176.013 174.700 -0.012 0.000 1.073 5445 T CA 1.463 63.541 62.100 -0.037 0.000 1.134 5445 T CB -0.353 68.480 68.868 -0.059 0.000 0.884 5445 T HN 1.637 nan 8.240 nan 0.000 0.479 5446 G N 1.419 110.210 108.800 -0.015 0.000 2.182 5446 G HA2 -0.010 3.950 3.960 -0.000 0.000 0.248 5446 G HA3 -0.010 3.950 3.960 -0.000 0.000 0.248 5446 G C 0.045 174.947 174.900 0.003 0.000 1.042 5446 G CA -0.132 44.967 45.100 -0.001 0.000 0.775 5446 G HN 0.876 nan 8.290 nan 0.000 0.501 5447 A N -0.424 122.393 122.820 -0.004 0.000 2.303 5447 A HA 0.758 5.078 4.320 -0.000 0.000 0.317 5447 A C 0.185 177.771 177.584 0.004 0.000 1.149 5447 A CA -0.234 51.808 52.037 0.008 0.000 0.822 5447 A CB 0.905 19.914 19.000 0.015 0.000 1.131 5447 A HN 0.719 nan 8.150 nan 0.000 0.493 5448 N N 1.510 120.217 118.700 0.012 0.000 2.425 5448 N HA 0.357 5.097 4.740 -0.000 0.000 0.268 5448 N C -0.806 174.712 175.510 0.014 0.000 0.991 5448 N CA -0.278 52.778 53.050 0.010 0.000 0.931 5448 N CB 1.168 39.662 38.487 0.011 0.000 1.130 5448 N HN 0.289 nan 8.380 nan 0.000 0.493 5449 V N 4.880 124.800 119.914 0.010 0.000 2.485 5449 V HA 0.134 4.254 4.120 -0.000 0.000 0.287 5449 V C 0.455 176.558 176.094 0.015 0.000 1.022 5449 V CA 0.003 62.312 62.300 0.014 0.000 1.067 5449 V CB -0.125 31.703 31.823 0.008 0.000 0.967 5449 V HN 0.529 nan 8.190 nan 0.000 0.479 5450 I N 4.790 125.372 120.570 0.019 0.000 2.530 5450 I HA 0.334 4.504 4.170 -0.000 0.000 0.297 5450 I C 1.280 177.407 176.117 0.017 0.000 1.011 5450 I CA -0.230 61.080 61.300 0.017 0.000 1.107 5450 I CB 2.024 40.035 38.000 0.019 0.000 1.285 5450 I HN 0.773 nan 8.210 nan 0.000 0.436 5451 T N 1.938 116.501 114.554 0.014 0.000 2.755 5451 T HA 0.036 4.386 4.350 -0.000 0.000 0.251 5451 T C 0.830 175.538 174.700 0.014 0.000 1.044 5451 T CA 0.415 62.523 62.100 0.013 0.000 1.154 5451 T CB -0.098 68.776 68.868 0.011 0.000 0.866 5451 T HN 0.441 nan 8.240 nan 0.000 0.416 5452 N N 0.841 119.549 118.700 0.013 0.000 2.438 5452 N HA 0.259 4.999 4.740 -0.000 0.000 0.282 5452 N C 0.665 176.184 175.510 0.015 0.000 1.037 5452 N CA -0.718 52.340 53.050 0.014 0.000 0.942 5452 N CB 1.369 39.864 38.487 0.012 0.000 1.136 5452 N HN 0.174 nan 8.380 nan 0.000 0.481 5453 I N 3.676 124.255 120.570 0.016 0.000 2.335 5453 I HA -0.215 3.955 4.170 -0.000 0.000 0.251 5453 I C 1.818 177.944 176.117 0.015 0.000 1.129 5453 I CA 1.460 62.770 61.300 0.017 0.000 1.402 5453 I CB 0.052 38.062 38.000 0.018 0.000 1.069 5453 I HN 0.489 nan 8.210 nan 0.000 0.424 5454 K N 0.347 120.755 120.400 0.013 0.000 2.152 5454 K HA -0.176 4.144 4.320 -0.000 0.000 0.206 5454 K C 1.628 178.235 176.600 0.011 0.000 1.048 5454 K CA 1.524 57.818 56.287 0.012 0.000 0.933 5454 K CB -0.571 31.935 32.500 0.011 0.000 0.721 5454 K HN 0.426 nan 8.250 nan 0.000 0.447 5455 D N 0.375 120.782 120.400 0.012 0.000 2.289 5455 D HA -0.042 4.598 4.640 -0.000 0.000 0.207 5455 D C 0.594 176.901 176.300 0.013 0.000 0.966 5455 D CA -0.059 53.948 54.000 0.011 0.000 0.868 5455 D CB -0.163 40.643 40.800 0.011 0.000 0.943 5455 D HN -0.021 nan 8.370 nan 0.000 0.514 5456 L N 1.339 122.571 121.223 0.015 0.000 2.559 5456 L HA 0.030 4.370 4.340 -0.000 0.000 0.282 5456 L C 0.376 177.255 176.870 0.015 0.000 1.232 5456 L CA 0.400 55.250 54.840 0.017 0.000 0.885 5456 L CB 0.273 42.343 42.059 0.019 0.000 1.131 5456 L HN -0.002 nan 8.230 nan 0.000 0.498 5457 S N 2.823 118.532 115.700 0.015 0.000 2.651 5457 S HA 0.760 5.230 4.470 -0.000 0.000 0.279 5457 S C 0.608 175.218 174.600 0.016 0.000 1.148 5457 S CA -0.389 57.819 58.200 0.014 0.000 0.837 5457 S CB 1.133 64.340 63.200 0.012 0.000 1.138 5457 S HN 0.839 nan 8.310 nan 0.000 0.478 5458 A N 0.598 123.427 122.820 0.015 0.000 1.978 5458 A HA -0.083 4.237 4.320 -0.000 0.000 0.220 5458 A C 1.985 179.579 177.584 0.017 0.000 1.170 5458 A CA 1.415 53.462 52.037 0.016 0.000 0.636 5458 A CB -0.907 18.102 19.000 0.014 0.000 0.810 5458 A HN 0.730 nan 8.150 nan 0.000 0.448 5459 Q N 0.155 119.964 119.800 0.015 0.000 2.364 5459 Q HA -0.123 4.217 4.340 -0.000 0.000 0.207 5459 Q C 0.615 176.624 176.000 0.016 0.000 0.970 5459 Q CA 1.189 57.001 55.803 0.015 0.000 0.888 5459 Q CB -0.269 28.477 28.738 0.012 0.000 0.951 5459 Q HN 0.684 nan 8.270 nan 0.000 0.469 5460 D N -0.261 120.149 120.400 0.017 0.000 2.354 5460 D HA 0.065 4.705 4.640 -0.000 0.000 0.209 5460 D C 0.592 176.906 176.300 0.023 0.000 1.015 5460 D CA 0.037 54.048 54.000 0.018 0.000 0.867 5460 D CB 0.574 41.386 40.800 0.019 0.000 0.933 5460 D HN 0.200 nan 8.370 nan 0.000 0.520 5461 L N 0.906 122.144 121.223 0.025 0.000 2.461 5461 L HA 0.286 4.626 4.340 -0.000 0.000 0.272 5461 L C 1.216 178.103 176.870 0.028 0.000 1.197 5461 L CA -0.170 54.688 54.840 0.030 0.000 0.836 5461 L CB 0.836 42.912 42.059 0.029 0.000 1.105 5461 L HN -0.092 nan 8.230 nan 0.000 0.477 5462 G N 0.995 109.816 108.800 0.034 0.000 2.509 5462 G HA2 0.484 4.444 3.960 -0.000 0.000 0.328 5462 G HA3 0.484 4.444 3.960 -0.000 0.000 0.328 5462 G C -1.360 173.560 174.900 0.033 0.000 1.194 5462 G CA -0.481 44.636 45.100 0.029 0.000 0.967 5462 G HN 0.536 nan 8.290 nan 0.000 0.488 5463 D N -0.189 120.228 120.400 0.027 0.000 2.498 5463 D HA 0.597 5.237 4.640 -0.000 0.000 0.247 5463 D C -0.460 175.855 176.300 0.026 0.000 1.070 5463 D CA -0.026 53.990 54.000 0.027 0.000 0.842 5463 D CB 2.152 42.965 40.800 0.020 0.000 1.361 5463 D HN 0.573 nan 8.370 nan 0.000 0.484 5464 A N 0.530 123.369 122.820 0.032 0.000 2.398 5464 A HA 0.609 4.929 4.320 -0.000 0.000 0.301 5464 A C 0.948 178.550 177.584 0.029 0.000 1.041 5464 A CA -0.539 51.518 52.037 0.034 0.000 0.711 5464 A CB 1.647 20.679 19.000 0.054 0.000 1.240 5464 A HN 0.521 nan 8.150 nan 0.000 0.420 5465 G N 0.469 109.280 108.800 0.019 0.000 2.443 5465 G HA2 0.313 4.273 3.960 -0.000 0.000 0.219 5465 G HA3 0.313 4.273 3.960 -0.000 0.000 0.219 5465 G C 0.223 175.136 174.900 0.023 0.000 1.131 5465 G CA 1.530 46.638 45.100 0.013 0.000 0.775 5465 G HN 1.109 nan 8.290 nan 0.000 0.547 5466 L N -0.315 120.931 121.223 0.039 0.000 2.549 5466 L HA 0.595 4.935 4.340 -0.000 0.000 0.259 5466 L C -1.531 175.385 176.870 0.077 0.000 0.934 5466 L CA -0.733 54.135 54.840 0.048 0.000 0.865 5466 L CB 2.449 44.531 42.059 0.038 0.000 1.352 5466 L HN -0.160 nan 8.230 nan 0.000 0.410 5467 V N 4.133 124.094 119.914 0.078 0.000 2.443 5467 V HA 0.694 4.814 4.120 -0.000 0.000 0.293 5467 V C -0.614 175.536 176.094 0.094 0.000 1.021 5467 V CA -0.420 61.942 62.300 0.104 0.000 0.848 5467 V CB 1.536 33.419 31.823 0.101 0.000 0.998 5467 V HN 0.820 nan 8.190 nan 0.000 0.424 5468 E N 3.115 123.393 120.200 0.130 0.000 2.343 5468 E HA 0.407 4.757 4.350 -0.000 0.000 0.278 5468 E C -1.137 175.559 176.600 0.161 0.000 0.910 5468 E CA -0.685 55.777 56.400 0.103 0.000 0.757 5468 E CB 2.356 32.085 29.700 0.048 0.000 1.218 5468 E HN 0.743 nan 8.360 nan 0.000 0.435 5469 E N 3.942 124.207 120.200 0.109 0.000 2.152 5469 E HA 0.240 4.590 4.350 -0.000 0.000 0.285 5469 E C -0.883 175.777 176.600 0.099 0.000 1.043 5469 E CA -0.233 56.242 56.400 0.124 0.000 0.839 5469 E CB 0.715 30.460 29.700 0.075 0.000 1.069 5469 E HN 0.329 nan 8.360 nan 0.000 0.399 5470 R N 3.447 124.051 120.500 0.172 0.000 2.740 5470 R HA 0.356 4.696 4.340 -0.000 0.000 0.282 5470 R C -1.018 175.365 176.300 0.137 0.000 0.969 5470 R CA -1.108 55.038 56.100 0.077 0.000 0.918 5470 R CB 1.537 31.740 30.300 -0.161 0.000 1.175 5470 R HN 0.256 nan 8.270 nan 0.000 0.464 5471 K N 2.142 122.583 120.400 0.067 0.000 2.227 5471 K HA 0.389 4.709 4.320 -0.000 0.000 0.280 5471 K C -0.526 176.120 176.600 0.077 0.000 1.041 5471 K CA -0.119 56.211 56.287 0.071 0.000 0.905 5471 K CB 0.834 33.358 32.500 0.039 0.000 1.068 5471 K HN 0.311 nan 8.250 nan 0.000 0.470 5472 I N 2.283 122.914 120.570 0.103 0.000 2.439 5472 I HA 0.144 4.314 4.170 -0.000 0.000 0.283 5472 I C 0.195 176.351 176.117 0.065 0.000 1.023 5472 I CA -0.361 60.997 61.300 0.098 0.000 1.100 5472 I CB 1.181 39.276 38.000 0.158 0.000 1.238 5472 I HN 0.723 nan 8.210 nan 0.000 0.445 5473 S N 4.576 120.304 115.700 0.046 0.000 3.682 5473 S HA -0.218 4.252 4.470 -0.000 0.000 0.354 5473 S C 1.407 176.025 174.600 0.031 0.000 1.034 5473 S CA 1.622 59.842 58.200 0.034 0.000 1.084 5473 S CB -1.038 62.182 63.200 0.033 0.000 0.903 5473 S HN 1.580 nan 8.310 nan 0.000 0.470 5474 G N 0.133 108.952 108.800 0.031 0.000 2.550 5474 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.233 5474 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.233 5474 G C -0.204 174.716 174.900 0.034 0.000 1.170 5474 G CA 0.366 45.483 45.100 0.028 0.000 0.693 5474 G HN 0.723 nan 8.290 nan 0.000 0.512 5475 D N 1.855 122.278 120.400 0.038 0.000 2.455 5475 D HA 0.459 5.099 4.640 -0.000 0.000 0.241 5475 D C 1.023 177.357 176.300 0.056 0.000 1.138 5475 D CA 0.874 54.898 54.000 0.040 0.000 0.877 5475 D CB 1.261 42.081 40.800 0.034 0.000 1.187 5475 D HN 0.709 nan 8.370 nan 0.000 0.451 5476 S N 1.948 117.678 115.700 0.051 0.000 2.523 5476 S HA 0.616 5.086 4.470 -0.000 0.000 0.275 5476 S C 0.023 174.665 174.600 0.069 0.000 1.281 5476 S CA -0.716 57.524 58.200 0.067 0.000 1.050 5476 S CB 0.770 64.000 63.200 0.051 0.000 0.937 5476 S HN 0.384 nan 8.310 nan 0.000 0.492 5477 M N 2.707 122.373 119.600 0.110 0.000 2.575 5477 M HA 0.502 4.982 4.480 -0.000 0.000 0.284 5477 M C -1.302 175.069 176.300 0.119 0.000 1.253 5477 M CA -0.868 54.471 55.300 0.065 0.000 0.861 5477 M CB 1.969 34.570 32.600 0.003 0.000 1.733 5477 M HN 0.432 nan 8.290 nan 0.000 0.462 5478 I N 1.678 122.256 120.570 0.014 0.000 2.412 5478 I HA 0.459 4.629 4.170 -0.000 0.000 0.296 5478 I C -1.105 174.976 176.117 -0.061 0.000 0.987 5478 I CA -0.364 60.989 61.300 0.087 0.000 1.180 5478 I CB 0.986 39.045 38.000 0.098 0.000 1.340 5478 I HN 0.530 nan 8.210 nan 0.000 0.455 5479 F N 4.771 124.748 119.950 0.046 0.000 2.426 5479 F HA 0.418 4.945 4.527 0.000 0.000 0.348 5479 F C 0.214 176.040 175.800 0.042 0.000 1.124 5479 F CA -0.768 57.254 58.000 0.036 0.000 1.008 5479 F CB 1.793 40.807 39.000 0.024 0.000 1.139 5479 F HN -0.006 nan 8.300 nan 0.000 0.452 5480 V N 3.993 123.995 119.914 0.147 0.000 2.257 5480 V HA 0.340 4.460 4.120 -0.000 0.000 0.269 5480 V C -0.484 175.668 176.094 0.098 0.000 1.040 5480 V CA -0.577 61.787 62.300 0.106 0.000 0.813 5480 V CB 0.425 32.280 31.823 0.054 0.000 1.065 5480 V HN 0.795 nan 8.190 nan 0.000 0.457 5481 E N 3.025 123.291 120.200 0.111 0.000 2.369 5481 E HA 0.716 5.066 4.350 -0.000 0.000 0.270 5481 E C -0.653 175.976 176.600 0.049 0.000 0.909 5481 E CA -0.839 55.614 56.400 0.089 0.000 0.775 5481 E CB 1.972 31.745 29.700 0.122 0.000 1.270 5481 E HN 0.198 nan 8.360 nan 0.000 0.445 5482 E N -0.762 119.454 120.200 0.027 0.000 3.169 5482 E HA -0.130 4.220 4.350 -0.000 0.000 0.305 5482 E C -0.670 175.921 176.600 -0.014 0.000 0.912 5482 E CA 0.468 56.869 56.400 0.001 0.000 1.029 5482 E CB -2.463 27.239 29.700 0.003 0.000 1.514 5482 E HN 0.632 nan 8.360 nan 0.000 0.412 5483 C N 1.257 120.551 119.300 -0.009 0.000 2.679 5483 C HA 0.049 4.509 4.460 -0.000 0.000 0.417 5483 C C 2.292 177.239 174.990 -0.071 0.000 1.302 5483 C CA 0.096 59.101 59.018 -0.021 0.000 1.973 5483 C CB 0.282 28.019 27.740 -0.005 0.000 2.715 5483 C HN 0.356 nan 8.230 nan 0.000 0.628 5484 K N 1.152 121.496 120.400 -0.093 0.000 1.969 5484 K HA -0.113 4.207 4.320 -0.000 0.000 0.223 5484 K C 0.445 176.790 176.600 -0.425 0.000 1.048 5484 K CA 1.412 57.558 56.287 -0.235 0.000 0.983 5484 K CB -0.122 32.297 32.500 -0.134 0.000 0.738 5484 K HN 0.696 nan 8.250 nan 0.000 0.446 5485 H N 0.808 119.882 119.070 0.008 0.000 2.423 5485 H HA 0.252 4.808 4.556 -0.000 0.000 0.237 5485 H C -2.368 172.963 175.328 0.004 0.000 1.391 5485 H CA -1.966 54.086 56.048 0.006 0.000 1.453 5485 H CB 0.424 30.189 29.762 0.005 0.000 1.484 5485 H HN 0.256 nan 8.280 nan 0.000 0.505 5486 P HA 0.054 nan 4.420 nan 0.000 0.268 5486 P C 0.691 178.018 177.300 0.046 0.000 1.205 5486 P CA -0.427 62.698 63.100 0.042 0.000 0.771 5486 P CB 1.742 33.455 31.700 0.020 0.000 0.858 5487 K N 0.459 120.877 120.400 0.029 0.000 2.358 5487 K HA 0.381 4.701 4.320 -0.000 0.000 0.197 5487 K C 0.443 177.047 176.600 0.007 0.000 1.025 5487 K CA -0.018 56.281 56.287 0.019 0.000 1.104 5487 K CB 0.616 33.124 32.500 0.014 0.000 0.855 5487 K HN 0.558 nan 8.250 nan 0.000 0.531 5488 A N 1.092 123.914 122.820 0.003 0.000 2.408 5488 A HA 0.563 4.883 4.320 -0.000 0.000 0.295 5488 A C -0.462 177.120 177.584 -0.004 0.000 1.040 5488 A CA -0.733 51.301 52.037 -0.006 0.000 0.707 5488 A CB 1.289 20.278 19.000 -0.019 0.000 1.235 5488 A HN -0.052 nan 8.150 nan 0.000 0.418 5489 V N -0.458 119.455 119.914 -0.002 0.000 2.960 5489 V HA 0.972 5.092 4.120 -0.000 0.000 0.315 5489 V C -0.295 175.797 176.094 -0.004 0.000 1.087 5489 V CA -0.578 61.723 62.300 0.002 0.000 0.982 5489 V CB 1.665 33.494 31.823 0.011 0.000 1.039 5489 V HN 0.804 nan 8.190 nan 0.000 0.437 5490 T N 3.738 118.291 114.554 -0.000 0.000 2.863 5490 T HA 0.568 4.918 4.350 -0.000 0.000 0.285 5490 T C -0.530 174.178 174.700 0.012 0.000 1.009 5490 T CA -0.289 61.808 62.100 -0.006 0.000 0.989 5490 T CB 1.552 70.401 68.868 -0.031 0.000 1.004 5490 T HN 0.920 nan 8.240 nan 0.000 0.455 5491 M N 4.211 123.817 119.600 0.010 0.000 2.060 5491 M HA 0.438 4.918 4.480 -0.000 0.000 0.342 5491 M C -1.114 175.200 176.300 0.023 0.000 1.031 5491 M CA -1.040 54.272 55.300 0.021 0.000 0.981 5491 M CB 0.239 32.848 32.600 0.016 0.000 1.376 5491 M HN 0.474 nan 8.290 nan 0.000 0.397 5492 L N 6.696 127.945 121.223 0.043 0.000 2.433 5492 L HA 0.400 4.740 4.340 -0.000 0.000 0.275 5492 L C -1.124 175.774 176.870 0.047 0.000 1.128 5492 L CA 0.617 55.490 54.840 0.055 0.000 0.875 5492 L CB 0.189 42.318 42.059 0.117 0.000 1.171 5492 L HN 0.601 nan 8.230 nan 0.000 0.463 5493 I N 6.092 126.682 120.570 0.035 0.000 2.359 5493 I HA 0.490 4.660 4.170 -0.000 0.000 0.294 5493 I C -0.039 176.096 176.117 0.031 0.000 0.987 5493 I CA -0.762 60.554 61.300 0.027 0.000 1.225 5493 I CB 0.902 38.913 38.000 0.019 0.000 1.366 5493 I HN 0.532 nan 8.210 nan 0.000 0.466 5494 R N 4.119 124.635 120.500 0.027 0.000 2.832 5494 R HA 0.890 5.230 4.340 -0.000 0.000 0.271 5494 R C -0.362 175.947 176.300 0.014 0.000 0.996 5494 R CA -1.081 55.034 56.100 0.024 0.000 0.977 5494 R CB 1.970 32.286 30.300 0.026 0.000 1.168 5494 R HN 0.877 nan 8.270 nan 0.000 0.482 5495 G N -0.935 107.873 108.800 0.013 0.000 2.519 5495 G HA2 0.155 4.115 3.960 -0.000 0.000 0.292 5495 G HA3 0.155 4.115 3.960 -0.000 0.000 0.292 5495 G C 0.213 175.118 174.900 0.009 0.000 1.507 5495 G CA -0.232 44.871 45.100 0.006 0.000 0.806 5495 G HN 0.444 nan 8.290 nan 0.000 0.523 5496 T N -2.234 112.323 114.554 0.004 0.000 3.155 5496 T HA 0.299 4.649 4.350 -0.000 0.000 0.264 5496 T C 0.836 175.543 174.700 0.013 0.000 1.160 5496 T CA 1.462 63.566 62.100 0.006 0.000 1.075 5496 T CB -0.091 68.778 68.868 0.001 0.000 0.921 5496 T HN 0.689 nan 8.240 nan 0.000 0.533 5497 T N 0.228 114.792 114.554 0.017 0.000 2.885 5497 T HA 0.340 4.690 4.350 -0.000 0.000 0.322 5497 T C 0.296 175.022 174.700 0.043 0.000 1.387 5497 T CA -0.657 61.463 62.100 0.032 0.000 1.041 5497 T CB 2.391 71.282 68.868 0.040 0.000 1.287 5497 T HN 0.004 nan 8.240 nan 0.000 0.491 5498 E N 0.907 121.141 120.200 0.056 0.000 2.038 5498 E HA -0.177 4.173 4.350 -0.000 0.000 0.195 5498 E C 1.659 178.325 176.600 0.110 0.000 1.000 5498 E CA 2.031 58.469 56.400 0.064 0.000 0.803 5498 E CB -0.205 29.524 29.700 0.050 0.000 0.750 5498 E HN 0.756 nan 8.360 nan 0.000 0.448 5499 H N -0.957 118.114 119.070 0.001 0.000 2.422 5499 H HA -0.087 4.469 4.556 0.000 0.000 0.298 5499 H C 1.825 177.153 175.328 0.000 0.000 1.098 5499 H CA 1.146 57.195 56.048 0.001 0.000 1.315 5499 H CB 0.338 30.100 29.762 -0.000 0.000 1.382 5499 H HN 0.115 nan 8.280 nan 0.000 0.523 5500 V N 1.784 121.698 119.914 -0.001 0.000 2.283 5500 V HA -0.255 3.865 4.120 -0.000 0.000 0.243 5500 V C 2.625 178.698 176.094 -0.034 0.000 1.039 5500 V CA 1.806 64.058 62.300 -0.079 0.000 1.016 5500 V CB -0.425 31.370 31.823 -0.047 0.000 0.650 5500 V HN 0.553 nan 8.190 nan 0.000 0.449 5501 I N -1.155 119.418 120.570 0.005 0.000 2.493 5501 I HA -0.171 3.999 4.170 -0.000 0.000 0.254 5501 I C 2.284 178.413 176.117 0.021 0.000 1.160 5501 I CA 1.949 63.257 61.300 0.012 0.000 1.445 5501 I CB -0.555 37.458 38.000 0.021 0.000 1.086 5501 I HN 0.389 nan 8.210 nan 0.000 0.433 5502 E N 1.503 121.729 120.200 0.043 0.000 2.072 5502 E HA -0.205 4.145 4.350 -0.000 0.000 0.191 5502 E C 2.034 178.661 176.600 0.045 0.000 0.985 5502 E CA 1.079 57.515 56.400 0.061 0.000 0.801 5502 E CB 0.098 29.869 29.700 0.117 0.000 0.750 5502 E HN 0.489 nan 8.360 nan 0.000 0.452 5503 E N 0.213 120.425 120.200 0.019 0.000 2.152 5503 E HA -0.113 4.237 4.350 -0.000 0.000 0.192 5503 E C 2.256 178.848 176.600 -0.014 0.000 0.983 5503 E CA 0.652 57.044 56.400 -0.013 0.000 0.818 5503 E CB 0.011 29.654 29.700 -0.094 0.000 0.758 5503 E HN 0.205 nan 8.360 nan 0.000 0.467 5504 V N 1.645 121.549 119.914 -0.016 0.000 2.407 5504 V HA -0.232 3.888 4.120 -0.000 0.000 0.248 5504 V C 2.447 178.542 176.094 0.002 0.000 1.055 5504 V CA 1.707 64.002 62.300 -0.009 0.000 1.049 5504 V CB -0.800 31.018 31.823 -0.008 0.000 0.662 5504 V HN 0.226 nan 8.190 nan 0.000 0.455 5505 A N 0.105 122.930 122.820 0.008 0.000 1.877 5505 A HA -0.257 4.063 4.320 -0.000 0.000 0.216 5505 A C 2.417 180.009 177.584 0.012 0.000 1.186 5505 A CA 2.048 54.092 52.037 0.011 0.000 0.620 5505 A CB -0.578 18.431 19.000 0.015 0.000 0.822 5505 A HN 0.479 nan 8.150 nan 0.000 0.443 5506 R N -0.359 120.150 120.500 0.015 0.000 2.091 5506 R HA -0.124 4.216 4.340 -0.000 0.000 0.238 5506 R C 2.278 178.586 176.300 0.014 0.000 1.136 5506 R CA 1.478 57.588 56.100 0.016 0.000 0.959 5506 R CB -0.419 29.895 30.300 0.022 0.000 0.856 5506 R HN 0.442 nan 8.270 nan 0.000 0.437 5507 A N 0.165 122.991 122.820 0.010 0.000 1.908 5507 A HA -0.113 4.207 4.320 -0.000 0.000 0.218 5507 A C 2.227 179.818 177.584 0.012 0.000 1.181 5507 A CA 1.669 53.712 52.037 0.011 0.000 0.627 5507 A CB -0.446 18.556 19.000 0.004 0.000 0.818 5507 A HN 0.243 nan 8.150 nan 0.000 0.445 5508 V N 0.417 120.337 119.914 0.010 0.000 2.453 5508 V HA -0.183 3.937 4.120 -0.000 0.000 0.247 5508 V C 2.042 178.142 176.094 0.010 0.000 1.048 5508 V CA 2.016 64.323 62.300 0.010 0.000 1.049 5508 V CB -0.792 31.037 31.823 0.009 0.000 0.672 5508 V HN 0.465 nan 8.190 nan 0.000 0.457 5509 D N 0.321 120.728 120.400 0.010 0.000 2.149 5509 D HA -0.170 4.470 4.640 -0.000 0.000 0.198 5509 D C 1.852 178.158 176.300 0.011 0.000 0.990 5509 D CA 1.425 55.431 54.000 0.010 0.000 0.839 5509 D CB -0.219 40.587 40.800 0.010 0.000 0.948 5509 D HN 0.427 nan 8.370 nan 0.000 0.460 5510 D N 0.059 120.467 120.400 0.013 0.000 2.120 5510 D HA -0.006 4.634 4.640 -0.000 0.000 0.202 5510 D C 2.070 178.378 176.300 0.013 0.000 0.972 5510 D CA 1.163 55.172 54.000 0.014 0.000 0.837 5510 D CB -0.362 40.449 40.800 0.018 0.000 0.989 5510 D HN 0.114 nan 8.370 nan 0.000 0.469 5511 A N 0.764 123.592 122.820 0.014 0.000 1.908 5511 A HA -0.155 4.165 4.320 -0.000 0.000 0.218 5511 A C 2.507 180.098 177.584 0.012 0.000 1.181 5511 A CA 1.338 53.384 52.037 0.014 0.000 0.627 5511 A CB -0.846 18.162 19.000 0.014 0.000 0.818 5511 A HN 0.142 nan 8.150 nan 0.000 0.445 5512 V N -0.076 119.845 119.914 0.010 0.000 2.343 5512 V HA -0.199 3.921 4.120 -0.000 0.000 0.247 5512 V C 2.794 178.893 176.094 0.008 0.000 1.051 5512 V CA 1.968 64.273 62.300 0.009 0.000 1.036 5512 V CB -1.433 30.394 31.823 0.008 0.000 0.654 5512 V HN 0.634 nan 8.190 nan 0.000 0.451 5513 G N -0.247 108.558 108.800 0.008 0.000 2.433 5513 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.216 5513 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.216 5513 G C 1.635 176.539 174.900 0.007 0.000 1.186 5513 G CA 1.313 46.417 45.100 0.007 0.000 0.779 5513 G HN 0.405 nan 8.290 nan 0.000 0.543 5514 V N 0.341 120.260 119.914 0.008 0.000 2.548 5514 V HA -0.094 4.026 4.120 -0.000 0.000 0.249 5514 V C 2.967 179.066 176.094 0.008 0.000 1.055 5514 V CA 1.076 63.380 62.300 0.008 0.000 1.065 5514 V CB -0.021 31.808 31.823 0.009 0.000 0.681 5514 V HN 0.227 nan 8.190 nan 0.000 0.462 5515 V N 1.167 121.086 119.914 0.008 0.000 2.427 5515 V HA -0.148 3.972 4.120 -0.000 0.000 0.248 5515 V C 2.602 178.700 176.094 0.007 0.000 1.051 5515 V CA 2.127 64.431 62.300 0.008 0.000 1.048 5515 V CB -1.218 30.611 31.823 0.009 0.000 0.666 5515 V HN 0.603 nan 8.190 nan 0.000 0.456 5516 G N -1.368 107.436 108.800 0.006 0.000 2.402 5516 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.216 5516 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.216 5516 G C 1.758 176.660 174.900 0.005 0.000 1.162 5516 G CA 1.215 46.318 45.100 0.005 0.000 0.777 5516 G HN 0.518 nan 8.290 nan 0.000 0.539 5517 C N 0.484 119.786 119.300 0.005 0.000 2.413 5517 C HA -0.031 4.429 4.460 -0.000 0.000 0.276 5517 C C 3.232 178.225 174.990 0.005 0.000 1.248 5517 C CA 1.623 60.644 59.018 0.005 0.000 1.742 5517 C CB -0.931 26.812 27.740 0.005 0.000 2.017 5517 C HN 0.424 nan 8.230 nan 0.000 0.481 5518 T N 0.537 115.094 114.554 0.005 0.000 2.951 5518 T HA -0.031 4.319 4.350 -0.000 0.000 0.268 5518 T C 1.516 176.219 174.700 0.005 0.000 1.073 5518 T CA 0.906 63.010 62.100 0.005 0.000 1.134 5518 T CB -0.185 68.686 68.868 0.006 0.000 0.884 5518 T HN 0.327 nan 8.240 nan 0.000 0.479 5519 I N 1.152 121.725 120.570 0.005 0.000 2.500 5519 I HA -0.006 4.164 4.170 -0.000 0.000 0.252 5519 I C 2.248 178.367 176.117 0.003 0.000 1.142 5519 I CA 1.225 62.528 61.300 0.004 0.000 1.451 5519 I CB -0.190 37.812 38.000 0.004 0.000 1.093 5519 I HN 0.257 nan 8.210 nan 0.000 0.430 5520 E N -0.738 119.464 120.200 0.003 0.000 2.140 5520 E HA -0.060 4.290 4.350 -0.000 0.000 0.191 5520 E C 0.206 176.808 176.600 0.003 0.000 0.973 5520 E CA 0.495 56.897 56.400 0.003 0.000 0.829 5520 E CB 0.255 29.957 29.700 0.003 0.000 0.781 5520 E HN 0.226 nan 8.360 nan 0.000 0.466 5521 D N -0.486 119.917 120.400 0.004 0.000 2.446 5521 D HA 0.156 4.796 4.640 -0.000 0.000 0.251 5521 D C 0.281 176.584 176.300 0.005 0.000 1.137 5521 D CA -0.392 53.611 54.000 0.004 0.000 0.890 5521 D CB 1.135 41.938 40.800 0.005 0.000 1.071 5521 D HN 0.045 nan 8.370 nan 0.000 0.528 5522 G N 3.107 111.909 108.800 0.005 0.000 3.194 5522 G HA2 -0.046 3.914 3.960 -0.000 0.000 0.208 5522 G HA3 -0.046 3.914 3.960 -0.000 0.000 0.208 5522 G C 0.501 175.405 174.900 0.006 0.000 1.240 5522 G CA 0.064 45.167 45.100 0.005 0.000 1.044 5522 G HN 0.246 nan 8.290 nan 0.000 0.495 5523 R N -0.388 120.115 120.500 0.006 0.000 2.637 5523 R HA 0.697 5.037 4.340 -0.000 0.000 0.291 5523 R C 0.102 176.406 176.300 0.007 0.000 0.963 5523 R CA -0.638 55.466 56.100 0.007 0.000 0.901 5523 R CB 1.697 32.002 30.300 0.008 0.000 1.160 5523 R HN 0.323 nan 8.270 nan 0.000 0.457 5524 I N -1.875 118.700 120.570 0.007 0.000 3.145 5524 I HA 0.861 5.031 4.170 -0.000 0.000 0.313 5524 I C -1.137 174.985 176.117 0.008 0.000 1.122 5524 I CA -1.317 59.987 61.300 0.007 0.000 0.987 5524 I CB 2.475 40.479 38.000 0.006 0.000 1.236 5524 I HN 0.325 nan 8.210 nan 0.000 0.453 5525 V N 1.531 121.448 119.914 0.006 0.000 3.077 5525 V HA 0.429 4.549 4.120 -0.000 0.000 0.299 5525 V C -0.341 175.755 176.094 0.003 0.000 1.276 5525 V CA -0.270 62.035 62.300 0.007 0.000 0.993 5525 V CB 2.605 34.431 31.823 0.006 0.000 1.076 5525 V HN 0.993 nan 8.190 nan 0.000 0.434 5526 S N 3.483 119.187 115.700 0.008 0.000 2.560 5526 S HA 0.503 4.973 4.470 -0.000 0.000 0.284 5526 S C 0.569 175.159 174.600 -0.017 0.000 1.327 5526 S CA 0.378 58.579 58.200 0.002 0.000 1.055 5526 S CB 1.237 64.450 63.200 0.021 0.000 0.868 5526 S HN 1.229 nan 8.310 nan 0.000 0.506 5527 G N 0.623 109.406 108.800 -0.028 0.000 2.945 5527 G HA2 0.523 4.483 3.960 -0.000 0.000 0.156 5527 G HA3 0.523 4.483 3.960 -0.000 0.000 0.156 5527 G C 0.889 175.754 174.900 -0.057 0.000 1.375 5527 G CA -0.197 44.876 45.100 -0.044 0.000 1.039 5527 G HN 1.526 nan 8.290 nan 0.000 0.586 5528 G N -1.502 107.256 108.800 -0.069 0.000 2.258 5528 G HA2 0.247 4.207 3.960 -0.000 0.000 0.274 5528 G HA3 0.247 4.207 3.960 -0.000 0.000 0.274 5528 G C 1.413 176.266 174.900 -0.079 0.000 1.021 5528 G CA 1.252 46.306 45.100 -0.077 0.000 0.798 5528 G HN 2.421 nan 8.290 nan 0.000 0.507 5529 G N -1.458 107.295 108.800 -0.078 0.000 2.160 5529 G HA2 -0.090 3.870 3.960 -0.000 0.000 0.251 5529 G HA3 -0.090 3.870 3.960 -0.000 0.000 0.251 5529 G C 1.332 176.164 174.900 -0.113 0.000 1.008 5529 G CA 1.577 46.625 45.100 -0.087 0.000 0.724 5529 G HN 1.904 nan 8.290 nan 0.000 0.514 5530 S N -0.348 115.281 115.700 -0.118 0.000 2.383 5530 S HA -0.136 4.334 4.470 -0.000 0.000 0.227 5530 S C 2.821 177.334 174.600 -0.145 0.000 1.026 5530 S CA 2.562 60.654 58.200 -0.178 0.000 0.981 5530 S CB -0.456 62.673 63.200 -0.118 0.000 0.818 5530 S HN 1.285 nan 8.310 nan 0.000 0.472 5531 T N 0.206 114.712 114.554 -0.080 0.000 2.622 5531 T HA -0.107 4.243 4.350 -0.000 0.000 0.266 5531 T C 1.581 176.249 174.700 -0.054 0.000 1.047 5531 T CA 1.644 63.715 62.100 -0.048 0.000 1.159 5531 T CB -0.979 67.874 68.868 -0.026 0.000 0.863 5531 T HN 0.386 nan 8.240 nan 0.000 0.422 5532 E N 0.842 121.003 120.200 -0.064 0.000 2.171 5532 E HA -0.058 4.292 4.350 -0.000 0.000 0.197 5532 E C 2.261 178.815 176.600 -0.077 0.000 0.997 5532 E CA 0.831 57.191 56.400 -0.066 0.000 0.810 5532 E CB -0.662 28.987 29.700 -0.084 0.000 0.738 5532 E HN 0.414 nan 8.360 nan 0.000 0.467 5533 V N 0.899 120.745 119.914 -0.113 0.000 2.379 5533 V HA -0.180 3.940 4.120 -0.000 0.000 0.245 5533 V C 2.119 178.151 176.094 -0.102 0.000 1.044 5533 V CA 1.472 63.694 62.300 -0.130 0.000 1.036 5533 V CB -0.316 31.375 31.823 -0.219 0.000 0.664 5533 V HN 0.220 nan 8.190 nan 0.000 0.453 5534 E N 0.053 120.194 120.200 -0.098 0.000 2.051 5534 E HA -0.203 4.147 4.350 -0.000 0.000 0.192 5534 E C 2.193 178.775 176.600 -0.029 0.000 0.991 5534 E CA 1.181 57.561 56.400 -0.033 0.000 0.799 5534 E CB -0.307 29.393 29.700 -0.000 0.000 0.748 5534 E HN 0.338 nan 8.360 nan 0.000 0.449 5535 L N 0.944 122.157 121.223 -0.018 0.000 2.046 5535 L HA -0.140 4.200 4.340 -0.000 0.000 0.208 5535 L C 2.577 179.443 176.870 -0.007 0.000 1.077 5535 L CA 1.467 56.313 54.840 0.010 0.000 0.747 5535 L CB -1.244 40.846 42.059 0.052 0.000 0.896 5535 L HN 0.041 nan 8.230 nan 0.000 0.432 5536 S N -1.249 114.439 115.700 -0.020 0.000 2.368 5536 S HA -0.257 4.213 4.470 -0.000 0.000 0.225 5536 S C 2.049 176.618 174.600 -0.050 0.000 1.030 5536 S CA 1.630 59.816 58.200 -0.023 0.000 0.999 5536 S CB -0.177 63.000 63.200 -0.038 0.000 0.844 5536 S HN 0.330 nan 8.310 nan 0.000 0.459 5537 M N 1.305 120.866 119.600 -0.066 0.000 2.066 5537 M HA 0.035 4.515 4.480 -0.000 0.000 0.259 5537 M C 1.787 177.985 176.300 -0.171 0.000 1.074 5537 M CA 1.887 57.137 55.300 -0.083 0.000 1.114 5537 M CB -0.527 32.042 32.600 -0.051 0.000 1.306 5537 M HN 0.041 nan 8.290 nan 0.000 0.411 5538 K N 0.084 120.340 120.400 -0.241 0.000 2.097 5538 K HA -0.011 4.309 4.320 -0.000 0.000 0.206 5538 K C 1.892 177.938 176.600 -0.922 0.000 1.049 5538 K CA 1.447 57.392 56.287 -0.569 0.000 0.933 5538 K CB -0.775 31.456 32.500 -0.448 0.000 0.717 5538 K HN 0.397 nan 8.250 nan 0.000 0.442 5539 L N 0.353 121.336 121.223 -0.400 0.000 2.131 5539 L HA -0.114 4.226 4.340 -0.000 0.000 0.210 5539 L C 2.593 179.416 176.870 -0.079 0.000 1.092 5539 L CA 0.919 55.672 54.840 -0.146 0.000 0.759 5539 L CB -0.291 41.797 42.059 0.047 0.000 0.903 5539 L HN 0.179 nan 8.230 nan 0.000 0.435 5540 R N 0.754 121.193 120.500 -0.102 0.000 2.092 5540 R HA -0.162 4.178 4.340 -0.000 0.000 0.231 5540 R C 1.864 178.141 176.300 -0.040 0.000 1.119 5540 R CA 1.544 57.619 56.100 -0.041 0.000 0.970 5540 R CB -0.055 30.224 30.300 -0.036 0.000 0.864 5540 R HN 0.485 nan 8.270 nan 0.000 0.440 5541 E N -0.788 119.340 120.200 -0.119 0.000 2.072 5541 E HA -0.154 4.196 4.350 -0.000 0.000 0.190 5541 E C 1.886 178.545 176.600 0.100 0.000 0.982 5541 E CA 0.939 57.310 56.400 -0.048 0.000 0.803 5541 E CB -0.178 29.459 29.700 -0.105 0.000 0.755 5541 E HN 0.317 nan 8.360 nan 0.000 0.453 5542 Y N 0.807 121.117 120.300 0.016 0.000 2.207 5542 Y HA -0.166 4.384 4.550 -0.000 0.000 0.287 5542 Y C 2.398 178.305 175.900 0.011 0.000 1.156 5542 Y CA 0.644 58.750 58.100 0.010 0.000 1.182 5542 Y CB -1.252 37.212 38.460 0.006 0.000 0.979 5542 Y HN 0.041 nan 8.280 nan 0.000 0.521 5543 A N 0.329 123.250 122.820 0.168 0.000 1.883 5543 A HA -0.189 4.131 4.320 -0.000 0.000 0.217 5543 A C 2.204 179.833 177.584 0.077 0.000 1.186 5543 A CA 1.854 53.952 52.037 0.102 0.000 0.624 5543 A CB -0.487 18.560 19.000 0.078 0.000 0.822 5543 A HN 0.343 nan 8.150 nan 0.000 0.444 5544 E N -0.537 119.706 120.200 0.070 0.000 2.150 5544 E HA -0.119 4.231 4.350 -0.000 0.000 0.193 5544 E C 2.156 178.789 176.600 0.055 0.000 0.985 5544 E CA 1.081 57.513 56.400 0.053 0.000 0.814 5544 E CB -0.652 29.074 29.700 0.043 0.000 0.752 5544 E HN 0.603 nan 8.360 nan 0.000 0.466 5545 G N 1.151 109.997 108.800 0.076 0.000 2.402 5545 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.216 5545 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.216 5545 G C 1.739 176.663 174.900 0.039 0.000 1.162 5545 G CA 0.403 45.540 45.100 0.061 0.000 0.777 5545 G HN 0.179 nan 8.290 nan 0.000 0.539 5546 I N -0.145 120.451 120.570 0.044 0.000 2.286 5546 I HA 0.011 4.181 4.170 -0.000 0.000 0.245 5546 I C 1.748 177.878 176.117 0.023 0.000 1.104 5546 I CA 0.623 61.939 61.300 0.026 0.000 1.397 5546 I CB -0.276 37.742 38.000 0.029 0.000 1.072 5546 I HN 0.319 nan 8.210 nan 0.000 0.417 5547 S N -0.724 114.994 115.700 0.030 0.000 3.307 5547 S HA -0.152 4.318 4.470 -0.000 0.000 0.634 5547 S C 0.590 175.202 174.600 0.020 0.000 2.711 5547 S CA 0.942 59.157 58.200 0.025 0.000 2.940 5547 S CB -1.372 61.840 63.200 0.019 0.000 0.331 5547 S HN 1.370 nan 8.310 nan 0.000 1.766 5548 G N 0.625 109.434 108.800 0.016 0.000 2.569 5548 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.259 5548 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.259 5548 G C 0.149 175.058 174.900 0.016 0.000 1.263 5548 G CA 1.165 46.273 45.100 0.013 0.000 0.928 5548 G HN 1.160 nan 8.290 nan 0.000 0.572 5549 R N 0.299 120.807 120.500 0.013 0.000 2.153 5549 R HA 0.195 4.535 4.340 -0.000 0.000 0.218 5549 R C 2.596 178.905 176.300 0.016 0.000 1.072 5549 R CA 1.800 57.909 56.100 0.015 0.000 0.990 5549 R CB -0.362 29.946 30.300 0.014 0.000 0.889 5549 R HN 0.706 nan 8.270 nan 0.000 0.452 5550 E N 0.469 120.676 120.200 0.012 0.000 2.160 5550 E HA -0.281 4.069 4.350 -0.000 0.000 0.195 5550 E C 1.809 178.428 176.600 0.032 0.000 0.991 5550 E CA 1.452 57.859 56.400 0.012 0.000 0.810 5550 E CB -0.009 29.693 29.700 0.004 0.000 0.742 5550 E HN 0.534 nan 8.360 nan 0.000 0.466 5551 Q N 0.445 120.266 119.800 0.036 0.000 2.170 5551 Q HA -0.187 4.153 4.340 -0.000 0.000 0.203 5551 Q C 1.975 178.013 176.000 0.063 0.000 0.976 5551 Q CA 1.049 56.883 55.803 0.052 0.000 0.858 5551 Q CB -0.172 28.593 28.738 0.045 0.000 0.907 5551 Q HN 0.166 nan 8.270 nan 0.000 0.433 5552 L N 1.164 122.418 121.223 0.052 0.000 2.093 5552 L HA -0.061 4.279 4.340 -0.000 0.000 0.208 5552 L C 2.558 179.482 176.870 0.089 0.000 1.085 5552 L CA 1.896 56.772 54.840 0.060 0.000 0.755 5552 L CB -1.076 41.006 42.059 0.039 0.000 0.904 5552 L HN 0.410 nan 8.230 nan 0.000 0.435 5553 A N -1.243 121.621 122.820 0.074 0.000 1.898 5553 A HA -0.112 4.208 4.320 -0.000 0.000 0.216 5553 A C 2.331 180.076 177.584 0.268 0.000 1.181 5553 A CA 1.678 53.770 52.037 0.092 0.000 0.620 5553 A CB -0.802 18.186 19.000 -0.020 0.000 0.819 5553 A HN 0.192 nan 8.150 nan 0.000 0.442 5554 V N -0.125 119.901 119.914 0.186 0.000 2.515 5554 V HA -0.186 3.934 4.120 -0.000 0.000 0.250 5554 V C 2.575 178.799 176.094 0.217 0.000 1.058 5554 V CA 2.042 64.461 62.300 0.198 0.000 1.064 5554 V CB -0.795 31.098 31.823 0.117 0.000 0.675 5554 V HN 0.607 nan 8.190 nan 0.000 0.461 5555 R N 0.228 120.828 120.500 0.167 0.000 2.075 5555 R HA -0.111 4.229 4.340 -0.000 0.000 0.232 5555 R C 2.289 178.678 176.300 0.148 0.000 1.126 5555 R CA 1.496 57.673 56.100 0.128 0.000 0.963 5555 R CB -0.343 30.009 30.300 0.087 0.000 0.858 5555 R HN 0.490 nan 8.270 nan 0.000 0.435 5556 A N 0.004 122.951 122.820 0.212 0.000 1.969 5556 A HA -0.156 4.164 4.320 -0.000 0.000 0.218 5556 A C 1.905 179.596 177.584 0.178 0.000 1.169 5556 A CA 0.891 53.062 52.037 0.223 0.000 0.635 5556 A CB -0.624 18.566 19.000 0.317 0.000 0.810 5556 A HN 0.483 nan 8.150 nan 0.000 0.445 5557 F N 0.882 120.878 119.950 0.077 0.000 2.134 5557 F HA -0.062 4.465 4.527 -0.000 0.000 0.299 5557 F C 2.518 178.248 175.800 -0.118 0.000 1.097 5557 F CA 1.283 59.159 58.000 -0.206 0.000 1.264 5557 F CB -0.228 38.684 39.000 -0.148 0.000 1.001 5557 F HN 0.249 nan 8.300 nan 0.000 0.479 5558 A N -0.270 122.647 122.820 0.162 0.000 1.933 5558 A HA -0.179 4.141 4.320 -0.000 0.000 0.218 5558 A C 1.876 179.438 177.584 -0.037 0.000 1.175 5558 A CA 1.966 54.042 52.037 0.065 0.000 0.628 5558 A CB -0.864 18.186 19.000 0.083 0.000 0.814 5558 A HN 0.413 nan 8.150 nan 0.000 0.444 5559 D N -0.104 120.280 120.400 -0.026 0.000 2.224 5559 D HA 0.057 4.697 4.640 -0.000 0.000 0.205 5559 D C 2.118 178.359 176.300 -0.098 0.000 0.965 5559 D CA 1.227 55.201 54.000 -0.044 0.000 0.852 5559 D CB -0.285 40.511 40.800 -0.007 0.000 0.947 5559 D HN 0.421 nan 8.370 nan 0.000 0.494 5560 A N 0.535 123.253 122.820 -0.170 0.000 1.969 5560 A HA -0.056 4.264 4.320 -0.000 0.000 0.218 5560 A C 2.243 179.663 177.584 -0.274 0.000 1.169 5560 A CA 0.549 52.440 52.037 -0.244 0.000 0.635 5560 A CB -0.630 18.136 19.000 -0.389 0.000 0.810 5560 A HN 0.204 nan 8.150 nan 0.000 0.445 5561 L N -0.575 120.465 121.223 -0.305 0.000 2.265 5561 L HA -0.181 4.159 4.340 -0.000 0.000 0.215 5561 L C 2.411 179.187 176.870 -0.157 0.000 1.117 5561 L CA 1.483 56.172 54.840 -0.251 0.000 0.782 5561 L CB -0.418 41.517 42.059 -0.207 0.000 0.914 5561 L HN 0.564 nan 8.230 nan 0.000 0.441 5562 E N 0.001 120.124 120.200 -0.128 0.000 2.409 5562 E HA -0.195 4.155 4.350 -0.000 0.000 0.198 5562 E C 2.202 178.750 176.600 -0.086 0.000 1.024 5562 E CA 0.501 56.845 56.400 -0.093 0.000 0.861 5562 E CB 0.176 29.831 29.700 -0.074 0.000 0.788 5562 E HN 0.307 nan 8.360 nan 0.000 0.521 5563 V N 0.870 120.725 119.914 -0.098 0.000 2.469 5563 V HA -0.245 3.875 4.120 -0.000 0.000 0.251 5563 V C 1.919 177.969 176.094 -0.075 0.000 1.064 5563 V CA 1.224 63.475 62.300 -0.082 0.000 1.066 5563 V CB -0.296 31.473 31.823 -0.090 0.000 0.667 5563 V HN 0.324 nan 8.190 nan 0.000 0.461 5564 I N 0.636 121.155 120.570 -0.084 0.000 2.113 5564 I HA -0.093 4.077 4.170 -0.000 0.000 0.238 5564 I C 0.308 176.386 176.117 -0.066 0.000 1.070 5564 I CA 1.823 63.079 61.300 -0.074 0.000 1.332 5564 I CB -3.029 34.923 38.000 -0.080 0.000 1.044 5564 I HN 0.336 nan 8.210 nan 0.000 0.402 5565 P HA -0.136 nan 4.420 nan 0.000 0.216 5565 P C 1.726 178.995 177.300 -0.052 0.000 1.153 5565 P CA 1.395 64.457 63.100 -0.062 0.000 0.858 5565 P CB -0.120 31.540 31.700 -0.066 0.000 0.789 5566 R N -0.636 119.833 120.500 -0.051 0.000 2.091 5566 R HA -0.075 4.264 4.340 -0.000 0.000 0.238 5566 R C 2.150 178.428 176.300 -0.038 0.000 1.136 5566 R CA 2.208 58.282 56.100 -0.043 0.000 0.959 5566 R CB -2.034 28.240 30.300 -0.044 0.000 0.856 5566 R HN 0.356 nan 8.270 nan 0.000 0.437 5567 T N -1.905 112.624 114.554 -0.041 0.000 3.057 5567 T HA 0.068 4.418 4.350 -0.000 0.000 0.254 5567 T C 1.903 176.583 174.700 -0.033 0.000 1.094 5567 T CA -0.047 62.032 62.100 -0.035 0.000 1.088 5567 T CB -0.014 68.832 68.868 -0.036 0.000 0.934 5567 T HN -0.103 nan 8.240 nan 0.000 0.497 5568 L N 1.809 123.008 121.223 -0.040 0.000 2.027 5568 L HA 0.299 4.639 4.340 -0.000 0.000 0.206 5568 L C 2.933 179.781 176.870 -0.037 0.000 1.074 5568 L CA 1.765 56.579 54.840 -0.043 0.000 0.745 5568 L CB -1.167 40.860 42.059 -0.054 0.000 0.898 5568 L HN 0.429 nan 8.230 nan 0.000 0.433 5569 A N -1.642 121.158 122.820 -0.035 0.000 2.021 5569 A HA -0.134 4.186 4.320 -0.000 0.000 0.216 5569 A C 2.278 179.851 177.584 -0.018 0.000 1.163 5569 A CA 1.054 53.075 52.037 -0.026 0.000 0.676 5569 A CB -0.387 18.597 19.000 -0.027 0.000 0.818 5569 A HN 0.464 nan 8.150 nan 0.000 0.453 5570 E N 0.340 120.528 120.200 -0.020 0.000 2.028 5570 E HA -0.213 4.137 4.350 -0.000 0.000 0.191 5570 E C 1.483 178.077 176.600 -0.010 0.000 0.988 5570 E CA 1.338 57.729 56.400 -0.015 0.000 0.799 5570 E CB -0.137 29.552 29.700 -0.018 0.000 0.755 5570 E HN 0.512 nan 8.360 nan 0.000 0.447 5571 N N 0.300 118.993 118.700 -0.011 0.000 2.309 5571 N HA -0.107 4.633 4.740 -0.000 0.000 0.182 5571 N C 1.394 176.906 175.510 0.003 0.000 1.018 5571 N CA 1.121 54.168 53.050 -0.005 0.000 0.876 5571 N CB -0.215 38.267 38.487 -0.008 0.000 0.972 5571 N HN 0.233 nan 8.380 nan 0.000 0.434 5572 A N -0.128 122.693 122.820 0.000 0.000 2.067 5572 A HA 0.320 4.640 4.320 -0.000 0.000 0.217 5572 A C 1.512 179.105 177.584 0.015 0.000 1.156 5572 A CA 1.106 53.150 52.037 0.011 0.000 0.683 5572 A CB -0.369 18.631 19.000 0.000 0.000 0.808 5572 A HN 0.312 nan 8.150 nan 0.000 0.455 5573 G N -1.326 107.478 108.800 0.006 0.000 2.137 5573 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.237 5573 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.237 5573 G C -0.025 174.877 174.900 0.005 0.000 1.002 5573 G CA 0.285 45.388 45.100 0.006 0.000 0.702 5573 G HN 0.432 nan 8.290 nan 0.000 0.515 5574 L N 0.135 121.358 121.223 0.001 0.000 2.399 5574 L HA 0.445 4.785 4.340 -0.000 0.000 0.265 5574 L C 0.547 177.414 176.870 -0.006 0.000 1.089 5574 L CA -1.011 53.828 54.840 -0.002 0.000 0.802 5574 L CB 0.844 42.900 42.059 -0.005 0.000 1.180 5574 L HN 0.095 nan 8.230 nan 0.000 0.454 5575 D N 1.186 121.582 120.400 -0.005 0.000 2.346 5575 D HA 0.077 4.717 4.640 -0.000 0.000 0.267 5575 D C 0.754 177.047 176.300 -0.012 0.000 1.320 5575 D CA 0.170 54.166 54.000 -0.007 0.000 0.951 5575 D CB 1.602 42.398 40.800 -0.005 0.000 1.079 5575 D HN 0.638 nan 8.370 nan 0.000 0.509 5576 A N 4.923 127.734 122.820 -0.014 0.000 1.908 5576 A HA -0.194 4.126 4.320 -0.000 0.000 0.218 5576 A C 2.301 179.873 177.584 -0.020 0.000 1.181 5576 A CA 1.020 53.045 52.037 -0.020 0.000 0.627 5576 A CB -0.352 18.636 19.000 -0.021 0.000 0.818 5576 A HN 0.754 nan 8.150 nan 0.000 0.445 5577 I N -1.069 119.491 120.570 -0.016 0.000 2.142 5577 I HA -0.221 3.949 4.170 -0.000 0.000 0.240 5577 I C 2.607 178.716 176.117 -0.013 0.000 1.078 5577 I CA 1.860 63.151 61.300 -0.015 0.000 1.343 5577 I CB -0.328 37.665 38.000 -0.012 0.000 1.046 5577 I HN 0.367 nan 8.210 nan 0.000 0.405 5578 E N 1.225 121.419 120.200 -0.011 0.000 2.072 5578 E HA -0.168 4.182 4.350 -0.000 0.000 0.191 5578 E C 2.131 178.726 176.600 -0.009 0.000 0.985 5578 E CA 1.220 57.615 56.400 -0.008 0.000 0.801 5578 E CB -0.020 29.677 29.700 -0.006 0.000 0.750 5578 E HN 0.238 nan 8.360 nan 0.000 0.452 5579 I N 0.372 120.935 120.570 -0.012 0.000 2.127 5579 I HA -0.249 3.921 4.170 -0.000 0.000 0.241 5579 I C 2.080 178.186 176.117 -0.017 0.000 1.075 5579 I CA 0.949 62.240 61.300 -0.014 0.000 1.334 5579 I CB -1.092 36.897 38.000 -0.018 0.000 1.040 5579 I HN 0.226 nan 8.210 nan 0.000 0.405 5580 L N 0.149 121.359 121.223 -0.022 0.000 2.042 5580 L HA -0.186 4.154 4.340 -0.000 0.000 0.210 5580 L C 2.622 179.481 176.870 -0.019 0.000 1.076 5580 L CA 1.384 56.208 54.840 -0.027 0.000 0.749 5580 L CB -1.206 40.835 42.059 -0.031 0.000 0.893 5580 L HN 0.019 nan 8.230 nan 0.000 0.432 5581 V N -0.830 119.076 119.914 -0.013 0.000 2.358 5581 V HA -0.231 3.889 4.120 -0.000 0.000 0.246 5581 V C 2.600 178.694 176.094 -0.001 0.000 1.047 5581 V CA 1.345 63.641 62.300 -0.007 0.000 1.035 5581 V CB -0.519 31.300 31.823 -0.006 0.000 0.658 5581 V HN 0.380 nan 8.190 nan 0.000 0.452 5582 K N -0.070 120.330 120.400 -0.001 0.000 2.057 5582 K HA -0.055 4.265 4.320 -0.000 0.000 0.206 5582 K C 2.141 178.747 176.600 0.010 0.000 1.050 5582 K CA 1.054 57.343 56.287 0.004 0.000 0.935 5582 K CB -0.715 31.786 32.500 0.001 0.000 0.715 5582 K HN 0.383 nan 8.250 nan 0.000 0.439 5583 V N 1.533 121.450 119.914 0.004 0.000 2.261 5583 V HA -0.230 3.890 4.120 -0.000 0.000 0.246 5583 V C 2.496 178.611 176.094 0.035 0.000 1.047 5583 V CA 1.660 63.967 62.300 0.011 0.000 1.015 5583 V CB -0.428 31.386 31.823 -0.014 0.000 0.642 5583 V HN 0.299 nan 8.190 nan 0.000 0.446 5584 R N 0.042 120.549 120.500 0.013 0.000 2.091 5584 R HA -0.175 4.165 4.340 -0.000 0.000 0.238 5584 R C 2.415 178.757 176.300 0.071 0.000 1.136 5584 R CA 1.579 57.697 56.100 0.029 0.000 0.959 5584 R CB -0.660 29.638 30.300 -0.003 0.000 0.856 5584 R HN 0.557 nan 8.270 nan 0.000 0.437 5585 A N 1.255 124.100 122.820 0.041 0.000 1.858 5585 A HA -0.127 4.193 4.320 -0.000 0.000 0.216 5585 A C 2.406 180.013 177.584 0.038 0.000 1.190 5585 A CA 1.728 53.785 52.037 0.033 0.000 0.617 5585 A CB -0.804 18.206 19.000 0.017 0.000 0.827 5585 A HN 0.405 nan 8.150 nan 0.000 0.443 5586 A N -1.210 121.634 122.820 0.041 0.000 1.908 5586 A HA -0.249 4.071 4.320 -0.000 0.000 0.218 5586 A C 2.155 179.766 177.584 0.046 0.000 1.181 5586 A CA 1.871 53.928 52.037 0.035 0.000 0.627 5586 A CB -0.993 18.026 19.000 0.032 0.000 0.818 5586 A HN 0.791 nan 8.150 nan 0.000 0.445 5587 H N 0.021 119.084 119.070 -0.013 0.000 2.353 5587 H HA -0.046 4.510 4.556 0.000 0.000 0.300 5587 H C 2.207 177.528 175.328 -0.012 0.000 1.090 5587 H CA 1.662 57.702 56.048 -0.013 0.000 1.327 5587 H CB -0.214 29.538 29.762 -0.016 0.000 1.383 5587 H HN 0.398 nan 8.280 nan 0.000 0.508 5588 A N -0.083 122.747 122.820 0.017 0.000 2.019 5588 A HA -0.140 4.180 4.320 -0.000 0.000 0.219 5588 A C 2.700 180.239 177.584 -0.075 0.000 1.164 5588 A CA 1.798 53.815 52.037 -0.033 0.000 0.644 5588 A CB -0.624 18.397 19.000 0.034 0.000 0.805 5588 A HN 0.511 nan 8.150 nan 0.000 0.449 5589 S N -0.556 115.109 115.700 -0.058 0.000 2.370 5589 S HA -0.054 4.416 4.470 -0.000 0.000 0.214 5589 S C 1.792 176.351 174.600 -0.068 0.000 1.033 5589 S CA 0.788 58.959 58.200 -0.049 0.000 0.941 5589 S CB -0.354 62.832 63.200 -0.024 0.000 0.886 5589 S HN 0.568 nan 8.310 nan 0.000 0.521 5590 N N 1.309 119.969 118.700 -0.067 0.000 2.396 5590 N HA 0.212 4.952 4.740 -0.000 0.000 0.180 5590 N C 1.070 176.520 175.510 -0.099 0.000 1.028 5590 N CA 1.012 54.024 53.050 -0.063 0.000 0.893 5590 N CB -0.019 38.447 38.487 -0.035 0.000 0.967 5590 N HN 0.634 nan 8.380 nan 0.000 0.440 5591 G N 0.338 109.022 108.800 -0.193 0.000 2.378 5591 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.198 5591 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.198 5591 G C 0.049 174.727 174.900 -0.369 0.000 1.223 5591 G CA -0.035 44.910 45.100 -0.259 0.000 1.088 5591 G HN 0.263 nan 8.290 nan 0.000 0.530 5592 N N 0.430 119.026 118.700 -0.174 0.000 2.415 5592 N HA 0.138 4.878 4.740 -0.000 0.000 0.174 5592 N C 1.618 177.168 175.510 0.067 0.000 1.048 5592 N CA 1.167 54.224 53.050 0.011 0.000 0.895 5592 N CB 0.140 38.660 38.487 0.055 0.000 1.036 5592 N HN 0.609 nan 8.380 nan 0.000 0.449 5593 K N -0.652 119.757 120.400 0.015 0.000 2.399 5593 K HA 0.378 4.698 4.320 -0.000 0.000 0.204 5593 K C -0.540 176.068 176.600 0.013 0.000 1.023 5593 K CA 0.010 56.308 56.287 0.019 0.000 1.127 5593 K CB 0.333 32.838 32.500 0.008 0.000 0.856 5593 K HN 0.016 nan 8.250 nan 0.000 0.514 5594 C N 1.294 120.600 119.300 0.011 0.000 3.401 5594 C HA 0.706 5.166 4.460 -0.000 0.000 0.204 5594 C C 0.406 175.411 174.990 0.026 0.000 1.522 5594 C CA -0.507 58.515 59.018 0.007 0.000 1.409 5594 C CB -0.541 27.189 27.740 -0.015 0.000 1.967 5594 C HN 0.662 nan 8.230 nan 0.000 0.496 5595 A N 0.477 123.327 122.820 0.050 0.000 3.169 5595 A HA 0.930 5.250 4.320 -0.000 0.000 0.146 5595 A C 0.531 178.136 177.584 0.034 0.000 1.265 5595 A CA 0.559 52.637 52.037 0.069 0.000 2.339 5595 A CB -0.750 18.346 19.000 0.160 0.000 2.810 5595 A HN 1.986 nan 8.150 nan 0.000 1.169 5596 G N -1.369 107.450 108.800 0.031 0.000 2.960 5596 G HA2 0.229 4.189 3.960 -0.000 0.000 0.267 5596 G HA3 0.229 4.189 3.960 -0.000 0.000 0.267 5596 G C -0.322 174.562 174.900 -0.027 0.000 1.492 5596 G CA 0.209 45.299 45.100 -0.016 0.000 0.953 5596 G HN 2.018 nan 8.290 nan 0.000 0.555 5597 L N 0.085 121.278 121.223 -0.051 0.000 2.312 5597 L HA 0.732 5.072 4.340 -0.000 0.000 0.281 5597 L C 0.231 177.049 176.870 -0.086 0.000 1.070 5597 L CA -0.829 53.976 54.840 -0.058 0.000 0.805 5597 L CB 1.600 43.620 42.059 -0.064 0.000 1.174 5597 L HN 0.675 nan 8.230 nan 0.000 0.434 5598 N N 3.114 121.769 118.700 -0.074 0.000 2.800 5598 N HA 0.232 4.972 4.740 -0.000 0.000 0.240 5598 N C 0.657 176.108 175.510 -0.099 0.000 1.096 5598 N CA -0.311 52.675 53.050 -0.108 0.000 0.877 5598 N CB 0.943 39.403 38.487 -0.044 0.000 1.138 5598 N HN 0.515 nan 8.380 nan 0.000 0.509 5599 V N 2.527 122.328 119.914 -0.189 0.000 2.453 5599 V HA -0.246 3.874 4.120 -0.000 0.000 0.252 5599 V C 1.484 177.622 176.094 0.073 0.000 1.068 5599 V CA 1.545 63.784 62.300 -0.100 0.000 1.070 5599 V CB -0.815 30.914 31.823 -0.157 0.000 0.664 5599 V HN 0.581 nan 8.190 nan 0.000 0.461 5600 F N 1.179 121.126 119.950 -0.004 0.000 2.146 5600 F HA -0.107 4.420 4.527 -0.000 0.000 0.298 5600 F C 2.665 178.464 175.800 -0.003 0.000 1.096 5600 F CA 1.773 59.771 58.000 -0.004 0.000 1.275 5600 F CB -1.582 37.415 39.000 -0.004 0.000 1.008 5600 F HN 0.383 nan 8.300 nan 0.000 0.480 5601 T N -3.749 110.917 114.554 0.187 0.000 3.044 5601 T HA 0.369 4.719 4.350 -0.000 0.000 0.250 5601 T C 1.562 176.299 174.700 0.061 0.000 1.081 5601 T CA 0.476 62.636 62.100 0.100 0.000 1.040 5601 T CB -0.123 68.791 68.868 0.077 0.000 0.962 5601 T HN 0.420 nan 8.240 nan 0.000 0.506 5602 G N 1.192 110.024 108.800 0.052 0.000 2.295 5602 G HA2 0.199 4.159 3.960 -0.000 0.000 0.287 5602 G HA3 0.199 4.159 3.960 -0.000 0.000 0.287 5602 G C 0.112 175.021 174.900 0.015 0.000 1.055 5602 G CA -0.055 45.062 45.100 0.027 0.000 0.922 5602 G HN 1.442 nan 8.290 nan 0.000 0.503 5603 A N -1.700 121.127 122.820 0.011 0.000 2.608 5603 A HA 0.943 5.263 4.320 -0.000 0.000 0.292 5603 A C 0.309 177.894 177.584 0.002 0.000 1.066 5603 A CA 0.048 52.089 52.037 0.008 0.000 0.676 5603 A CB 0.880 19.888 19.000 0.013 0.000 1.277 5603 A HN 1.942 nan 8.150 nan 0.000 0.413 5604 V N -0.649 119.267 119.914 0.003 0.000 3.209 5604 V HA 0.515 4.635 4.120 -0.000 0.000 0.305 5604 V C 0.173 176.271 176.094 0.006 0.000 1.127 5604 V CA 0.364 62.667 62.300 0.004 0.000 1.235 5604 V CB 0.181 32.010 31.823 0.011 0.000 0.987 5604 V HN 0.940 nan 8.190 nan 0.000 0.499 5605 E N 0.677 120.881 120.200 0.006 0.000 2.296 5605 E HA 0.384 4.734 4.350 -0.000 0.000 0.224 5605 E C -1.412 175.193 176.600 0.010 0.000 0.949 5605 E CA -0.598 55.807 56.400 0.008 0.000 0.879 5605 E CB 0.823 30.528 29.700 0.008 0.000 1.922 5605 E HN 0.877 nan 8.360 nan 0.000 0.437 5606 D N 1.261 121.667 120.400 0.009 0.000 2.441 5606 D HA 0.187 4.827 4.640 -0.000 0.000 0.231 5606 D C 0.871 177.175 176.300 0.008 0.000 1.073 5606 D CA -0.304 53.702 54.000 0.009 0.000 0.850 5606 D CB 0.802 41.607 40.800 0.008 0.000 1.062 5606 D HN 0.188 nan 8.370 nan 0.000 0.524 5607 M N 1.947 121.552 119.600 0.007 0.000 2.108 5607 M HA -0.146 4.334 4.480 -0.000 0.000 0.261 5607 M C 2.281 178.584 176.300 0.005 0.000 1.066 5607 M CA 0.861 56.162 55.300 0.001 0.000 1.107 5607 M CB -1.094 31.507 32.600 0.001 0.000 1.356 5607 M HN 0.547 nan 8.290 nan 0.000 0.406 5608 C N 0.447 119.752 119.300 0.008 0.000 2.453 5608 C HA -0.170 4.290 4.460 -0.000 0.000 0.277 5608 C C 2.713 177.708 174.990 0.009 0.000 1.262 5608 C CA 1.497 60.520 59.018 0.008 0.000 1.718 5608 C CB -0.857 26.888 27.740 0.008 0.000 2.031 5608 C HN 0.597 nan 8.230 nan 0.000 0.480 5609 E N 1.152 121.357 120.200 0.009 0.000 2.118 5609 E HA -0.157 4.193 4.350 -0.000 0.000 0.195 5609 E C 1.611 178.219 176.600 0.014 0.000 0.992 5609 E CA 1.681 58.087 56.400 0.010 0.000 0.804 5609 E CB -0.373 29.332 29.700 0.010 0.000 0.741 5609 E HN 0.632 nan 8.360 nan 0.000 0.458 5610 N N -0.435 118.274 118.700 0.015 0.000 2.398 5610 N HA 0.070 4.810 4.740 -0.000 0.000 0.188 5610 N C 0.546 176.068 175.510 0.020 0.000 1.122 5610 N CA 0.898 53.961 53.050 0.021 0.000 0.866 5610 N CB 0.529 39.029 38.487 0.022 0.000 0.970 5610 N HN 0.287 nan 8.380 nan 0.000 0.462 5611 G N 0.541 109.349 108.800 0.014 0.000 2.283 5611 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.280 5611 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.280 5611 G C -0.090 174.816 174.900 0.010 0.000 1.029 5611 G CA 0.262 45.369 45.100 0.013 0.000 0.840 5611 G HN 0.200 nan 8.290 nan 0.000 0.505 5612 V N 1.064 120.979 119.914 0.002 0.000 2.222 5612 V HA 0.477 4.597 4.120 -0.000 0.000 0.253 5612 V C 0.793 176.878 176.094 -0.015 0.000 1.210 5612 V CA 0.068 62.361 62.300 -0.012 0.000 1.079 5612 V CB 0.539 32.341 31.823 -0.034 0.000 1.265 5612 V HN 0.960 nan 8.190 nan 0.000 0.494 5613 V N 1.910 121.820 119.914 -0.007 0.000 2.914 5613 V HA 0.888 5.008 4.120 -0.000 0.000 0.314 5613 V C -0.574 175.516 176.094 -0.007 0.000 1.084 5613 V CA -0.850 61.446 62.300 -0.006 0.000 0.963 5613 V CB 2.296 34.119 31.823 0.000 0.000 1.025 5613 V HN 0.776 nan 8.190 nan 0.000 0.432 5614 E N 2.150 122.345 120.200 -0.008 0.000 2.336 5614 E HA 0.723 5.073 4.350 -0.000 0.000 0.267 5614 E C -3.108 173.490 176.600 -0.002 0.000 0.906 5614 E CA -2.475 53.922 56.400 -0.006 0.000 0.781 5614 E CB 2.129 31.823 29.700 -0.012 0.000 1.261 5614 E HN 0.494 nan 8.360 nan 0.000 0.436 5615 P HA -0.032 nan 4.420 nan 0.000 0.269 5615 P C 0.335 177.636 177.300 0.001 0.000 1.209 5615 P CA -0.409 62.691 63.100 0.002 0.000 0.776 5615 P CB 0.523 32.225 31.700 0.002 0.000 0.876 5616 L N 3.408 124.633 121.223 0.004 0.000 2.093 5616 L HA -0.106 4.234 4.340 -0.000 0.000 0.208 5616 L C 2.202 179.075 176.870 0.006 0.000 1.085 5616 L CA 1.714 56.557 54.840 0.005 0.000 0.755 5616 L CB -0.628 41.436 42.059 0.008 0.000 0.904 5616 L HN 0.268 nan 8.230 nan 0.000 0.435 5617 R N -1.441 119.062 120.500 0.005 0.000 2.127 5617 R HA -0.148 4.192 4.340 -0.000 0.000 0.238 5617 R C 2.103 178.405 176.300 0.004 0.000 1.134 5617 R CA 1.416 57.519 56.100 0.005 0.000 0.975 5617 R CB -0.598 29.705 30.300 0.005 0.000 0.865 5617 R HN 0.293 nan 8.270 nan 0.000 0.447 5618 V N 1.361 121.276 119.914 0.002 0.000 2.255 5618 V HA -0.272 3.848 4.120 -0.000 0.000 0.247 5618 V C 2.289 178.383 176.094 -0.001 0.000 1.051 5618 V CA 1.710 64.010 62.300 -0.001 0.000 1.018 5618 V CB -0.332 31.489 31.823 -0.004 0.000 0.641 5618 V HN 0.221 nan 8.190 nan 0.000 0.445 5619 K N -0.263 120.137 120.400 -0.001 0.000 2.103 5619 K HA -0.060 4.259 4.320 -0.000 0.000 0.204 5619 K C 2.233 178.838 176.600 0.008 0.000 1.052 5619 K CA 1.568 57.854 56.287 -0.001 0.000 0.945 5619 K CB -0.705 31.794 32.500 -0.002 0.000 0.722 5619 K HN 0.501 nan 8.250 nan 0.000 0.443 5620 T N 1.343 115.904 114.554 0.011 0.000 2.737 5620 T HA -0.154 4.196 4.350 -0.000 0.000 0.265 5620 T C 1.928 176.638 174.700 0.017 0.000 1.038 5620 T CA 1.435 63.545 62.100 0.017 0.000 1.144 5620 T CB -0.074 68.803 68.868 0.015 0.000 0.866 5620 T HN 0.157 nan 8.240 nan 0.000 0.434 5621 Q N 1.315 121.122 119.800 0.012 0.000 2.079 5621 Q HA 0.119 4.459 4.340 -0.000 0.000 0.200 5621 Q C 2.312 178.319 176.000 0.012 0.000 0.974 5621 Q CA 1.665 57.475 55.803 0.012 0.000 0.840 5621 Q CB -0.741 28.002 28.738 0.008 0.000 0.898 5621 Q HN 0.471 nan 8.270 nan 0.000 0.430 5622 A N 0.402 123.226 122.820 0.008 0.000 1.892 5622 A HA -0.204 4.116 4.320 -0.000 0.000 0.218 5622 A C 2.145 179.735 177.584 0.010 0.000 1.188 5622 A CA 1.781 53.820 52.037 0.003 0.000 0.631 5622 A CB -0.878 18.119 19.000 -0.005 0.000 0.822 5622 A HN 0.489 nan 8.150 nan 0.000 0.447 5623 I N -1.086 119.496 120.570 0.020 0.000 2.202 5623 I HA -0.273 3.897 4.170 -0.000 0.000 0.242 5623 I C 2.783 178.931 176.117 0.052 0.000 1.091 5623 I CA 1.775 63.101 61.300 0.043 0.000 1.368 5623 I CB -0.347 37.694 38.000 0.067 0.000 1.058 5623 I HN 0.439 nan 8.210 nan 0.000 0.410 5624 Q N 1.100 120.924 119.800 0.039 0.000 1.975 5624 Q HA -0.191 4.149 4.340 -0.000 0.000 0.205 5624 Q C 2.295 178.315 176.000 0.034 0.000 0.990 5624 Q CA 2.630 58.454 55.803 0.036 0.000 0.845 5624 Q CB -0.375 28.378 28.738 0.025 0.000 0.913 5624 Q HN 0.327 nan 8.270 nan 0.000 0.420 5625 S N 0.191 115.906 115.700 0.025 0.000 2.383 5625 S HA -0.159 4.311 4.470 -0.000 0.000 0.229 5625 S C 1.897 176.512 174.600 0.024 0.000 1.030 5625 S CA 0.987 59.200 58.200 0.021 0.000 1.002 5625 S CB -0.665 62.543 63.200 0.014 0.000 0.829 5625 S HN 0.587 nan 8.310 nan 0.000 0.467 5626 A N 1.547 124.382 122.820 0.024 0.000 1.877 5626 A HA 0.100 4.420 4.320 -0.000 0.000 0.216 5626 A C 2.363 179.971 177.584 0.041 0.000 1.186 5626 A CA 1.725 53.774 52.037 0.021 0.000 0.620 5626 A CB -1.079 17.924 19.000 0.005 0.000 0.822 5626 A HN 0.524 nan 8.150 nan 0.000 0.443 5627 A N -0.319 122.540 122.820 0.065 0.000 1.930 5627 A HA -0.125 4.195 4.320 -0.000 0.000 0.217 5627 A C 1.885 179.518 177.584 0.081 0.000 1.175 5627 A CA 1.513 53.609 52.037 0.099 0.000 0.627 5627 A CB -0.502 18.571 19.000 0.123 0.000 0.815 5627 A HN 0.625 nan 8.150 nan 0.000 0.443 5628 E N 0.053 120.287 120.200 0.058 0.000 2.153 5628 E HA -0.108 4.242 4.350 -0.000 0.000 0.194 5628 E C 2.164 178.791 176.600 0.044 0.000 0.988 5628 E CA 1.240 57.668 56.400 0.047 0.000 0.811 5628 E CB -0.093 29.627 29.700 0.034 0.000 0.746 5628 E HN 0.605 nan 8.360 nan 0.000 0.466 5629 S N 0.182 115.907 115.700 0.041 0.000 2.377 5629 S HA -0.084 4.386 4.470 -0.000 0.000 0.223 5629 S C 2.107 176.735 174.600 0.047 0.000 1.030 5629 S CA 1.146 59.368 58.200 0.036 0.000 0.970 5629 S CB -0.159 63.057 63.200 0.027 0.000 0.830 5629 S HN 0.255 nan 8.310 nan 0.000 0.473 5630 T N 1.976 116.568 114.554 0.063 0.000 2.788 5630 T HA -0.085 4.265 4.350 -0.000 0.000 0.268 5630 T C 1.786 176.545 174.700 0.098 0.000 1.044 5630 T CA 1.050 63.202 62.100 0.087 0.000 1.139 5630 T CB -0.236 68.704 68.868 0.121 0.000 0.867 5630 T HN 0.329 nan 8.240 nan 0.000 0.454 5631 E N 1.015 121.271 120.200 0.093 0.000 2.150 5631 E HA -0.119 4.231 4.350 -0.000 0.000 0.193 5631 E C 2.155 178.788 176.600 0.055 0.000 0.985 5631 E CA 0.710 57.158 56.400 0.080 0.000 0.814 5631 E CB -0.258 29.484 29.700 0.070 0.000 0.752 5631 E HN 0.341 nan 8.360 nan 0.000 0.466 5632 M N 0.652 120.281 119.600 0.047 0.000 2.117 5632 M HA -0.152 4.328 4.480 -0.000 0.000 0.262 5632 M C 2.143 178.464 176.300 0.035 0.000 1.065 5632 M CA 1.179 56.501 55.300 0.036 0.000 1.114 5632 M CB -0.491 32.127 32.600 0.031 0.000 1.361 5632 M HN 0.127 nan 8.290 nan 0.000 0.408 5633 L N -0.106 121.141 121.223 0.040 0.000 2.056 5633 L HA -0.202 4.138 4.340 -0.000 0.000 0.207 5633 L C 2.463 179.355 176.870 0.037 0.000 1.078 5633 L CA 0.851 55.712 54.840 0.036 0.000 0.749 5633 L CB -0.746 41.336 42.059 0.039 0.000 0.901 5633 L HN 0.294 nan 8.230 nan 0.000 0.433 5634 L N -0.378 120.873 121.223 0.048 0.000 2.191 5634 L HA -0.192 4.148 4.340 -0.000 0.000 0.212 5634 L C 2.770 179.658 176.870 0.031 0.000 1.103 5634 L CA 0.989 55.853 54.840 0.041 0.000 0.769 5634 L CB -0.426 41.664 42.059 0.052 0.000 0.908 5634 L HN 0.261 nan 8.230 nan 0.000 0.438 5635 R N 0.571 121.091 120.500 0.033 0.000 2.148 5635 R HA -0.013 4.327 4.340 -0.000 0.000 0.223 5635 R C 0.768 177.084 176.300 0.026 0.000 1.088 5635 R CA 0.312 56.430 56.100 0.030 0.000 0.985 5635 R CB -0.009 30.307 30.300 0.028 0.000 0.880 5635 R HN 0.227 nan 8.270 nan 0.000 0.451 5636 I N 2.167 122.752 120.570 0.024 0.000 2.517 5636 I HA -0.055 4.115 4.170 -0.000 0.000 0.285 5636 I C -0.001 176.127 176.117 0.018 0.000 1.106 5636 I CA 0.479 61.791 61.300 0.021 0.000 1.402 5636 I CB 0.962 38.975 38.000 0.021 0.000 1.399 5636 I HN 0.100 nan 8.210 nan 0.000 0.535 5637 D N 4.170 124.580 120.400 0.017 0.000 2.535 5637 D HA 0.146 4.786 4.640 -0.000 0.000 0.229 5637 D C -0.499 175.809 176.300 0.013 0.000 1.238 5637 D CA 0.243 54.250 54.000 0.011 0.000 0.824 5637 D CB 0.684 41.490 40.800 0.010 0.000 1.045 5637 D HN 0.466 nan 8.370 nan 0.000 0.500 5638 D N 0.473 120.884 120.400 0.018 0.000 2.931 5638 D HA 0.184 4.824 4.640 -0.000 0.000 0.215 5638 D C -1.445 174.871 176.300 0.027 0.000 1.297 5638 D CA -0.421 53.593 54.000 0.023 0.000 0.892 5638 D CB 2.065 42.877 40.800 0.020 0.000 1.642 5638 D HN -0.321 nan 8.370 nan 0.000 0.560 5639 V N 5.011 124.946 119.914 0.036 0.000 2.443 5639 V HA 0.516 4.636 4.120 -0.000 0.000 0.293 5639 V C 0.027 176.154 176.094 0.056 0.000 1.021 5639 V CA -0.567 61.758 62.300 0.042 0.000 0.848 5639 V CB 1.587 33.435 31.823 0.041 0.000 0.998 5639 V HN 0.519 nan 8.190 nan 0.000 0.424 5640 I N 4.539 125.138 120.570 0.049 0.000 2.437 5640 I HA 0.668 4.838 4.170 -0.000 0.000 0.279 5640 I C 0.222 176.370 176.117 0.050 0.000 1.028 5640 I CA -0.403 60.929 61.300 0.052 0.000 1.142 5640 I CB 1.609 39.630 38.000 0.035 0.000 1.266 5640 I HN 0.660 nan 8.210 nan 0.000 0.461 5641 A N 5.146 128.008 122.820 0.070 0.000 2.287 5641 A HA 0.859 5.179 4.320 -0.000 0.000 0.317 5641 A C 0.297 177.909 177.584 0.047 0.000 1.220 5641 A CA -0.437 51.632 52.037 0.053 0.000 0.835 5641 A CB 0.964 19.996 19.000 0.053 0.000 1.180 5641 A HN 0.744 nan 8.150 nan 0.000 0.500 5642 A N 1.982 124.815 122.820 0.023 0.000 2.429 5642 A HA 0.468 4.788 4.320 -0.000 0.000 0.242 5642 A C 0.615 178.200 177.584 0.002 0.000 1.088 5642 A CA 0.177 52.221 52.037 0.012 0.000 0.784 5642 A CB -0.020 18.983 19.000 0.005 0.000 1.038 5642 A HN 0.946 nan 8.150 nan 0.000 0.501 5643 E N 0.000 120.198 120.200 -0.003 0.000 2.725 5643 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 5643 E CA 0.000 56.392 56.400 -0.014 0.000 0.976 5643 E CB 0.000 29.693 29.700 -0.011 0.000 0.812 5643 E HN 0.000 nan 8.360 nan 0.000 0.440