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_A DATA FIRST_RESID 1 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 1 V HA 0.000 nan 4.120 nan 0.000 0.244 1 V C 0.000 176.088 176.094 -0.010 0.000 1.182 1 V CA 0.000 62.294 62.300 -0.010 0.000 1.235 1 V CB 0.000 31.817 31.823 -0.009 0.000 1.184 2 L N 2.508 123.723 121.223 -0.013 0.000 2.325 2 L HA 0.553 4.893 4.340 -0.000 0.000 0.279 2 L C -2.188 174.674 176.870 -0.014 0.000 1.054 2 L CA -1.543 53.289 54.840 -0.013 0.000 0.804 2 L CB 0.864 42.912 42.059 -0.017 0.000 1.200 2 L HN 0.163 nan 8.230 nan 0.000 0.436 3 P HA -0.008 nan 4.420 nan 0.000 0.264 3 P C -0.445 176.846 177.300 -0.014 0.000 1.193 3 P CA -0.144 62.949 63.100 -0.011 0.000 0.763 3 P CB 0.402 32.097 31.700 -0.009 0.000 0.810 4 E N 3.250 123.441 120.200 -0.014 0.000 2.452 4 E HA -0.114 4.236 4.350 -0.000 0.000 0.261 4 E C 0.844 177.435 176.600 -0.015 0.000 0.987 4 E CA 0.390 56.781 56.400 -0.016 0.000 0.926 4 E CB 0.010 29.702 29.700 -0.014 0.000 0.934 4 E HN 0.618 nan 8.360 nan 0.000 0.452 5 N N 2.456 121.145 118.700 -0.018 0.000 2.990 5 N HA -0.146 4.594 4.740 -0.000 0.000 0.163 5 N C -0.614 174.885 175.510 -0.018 0.000 1.452 5 N CA 0.223 53.264 53.050 -0.016 0.000 1.624 5 N CB -0.631 37.850 38.487 -0.011 0.000 1.088 5 N HN 0.388 nan 8.380 nan 0.000 0.695 6 M N 2.059 121.646 119.600 -0.020 0.000 2.228 6 M HA 0.227 4.707 4.480 -0.000 0.000 0.351 6 M C 0.300 176.578 176.300 -0.037 0.000 1.233 6 M CA 0.554 55.841 55.300 -0.021 0.000 1.129 6 M CB 0.841 33.430 32.600 -0.018 0.000 1.604 6 M HN 0.162 nan 8.290 nan 0.000 0.457 7 K N 2.273 122.653 120.400 -0.034 0.000 2.316 7 K HA 0.621 4.941 4.320 -0.000 0.000 0.251 7 K C -1.213 175.344 176.600 -0.073 0.000 0.934 7 K CA -0.573 55.668 56.287 -0.077 0.000 0.802 7 K CB 1.963 34.441 32.500 -0.038 0.000 1.171 7 K HN 0.676 nan 8.250 nan 0.000 0.426 8 R N 3.087 123.460 120.500 -0.212 0.000 2.621 8 R HA 0.430 4.770 4.340 -0.000 0.000 0.284 8 R C -1.520 174.570 176.300 -0.350 0.000 0.998 8 R CA -0.598 55.420 56.100 -0.136 0.000 0.895 8 R CB 0.893 31.152 30.300 -0.070 0.000 1.195 8 R HN 0.626 nan 8.270 nan 0.000 0.450 9 Y N 4.203 124.508 120.300 0.007 0.000 2.462 9 Y HA 0.541 5.091 4.550 -0.000 0.000 0.346 9 Y C 0.274 176.181 175.900 0.011 0.000 0.976 9 Y CA -0.950 57.158 58.100 0.013 0.000 1.044 9 Y CB 2.228 40.703 38.460 0.026 0.000 1.230 9 Y HN 0.426 nan 8.280 nan 0.000 0.455 10 M N 0.859 120.544 119.600 0.141 0.000 2.618 10 M HA 0.858 5.338 4.480 -0.000 0.000 0.281 10 M C 0.179 176.519 176.300 0.066 0.000 1.267 10 M CA -0.145 55.204 55.300 0.080 0.000 0.845 10 M CB 1.349 33.972 32.600 0.040 0.000 1.732 10 M HN 0.877 nan 8.290 nan 0.000 0.461 11 G N 2.283 111.109 108.800 0.043 0.000 2.574 11 G HA2 -0.357 3.603 3.960 -0.000 0.000 0.286 11 G HA3 -0.357 3.603 3.960 -0.000 0.000 0.286 11 G C 0.507 175.425 174.900 0.030 0.000 1.212 11 G CA 1.067 46.183 45.100 0.027 0.000 0.979 11 G HN 1.179 nan 8.290 nan 0.000 0.557 12 R N 0.438 120.952 120.500 0.024 0.000 2.189 12 R HA -0.043 4.297 4.340 -0.000 0.000 0.223 12 R C 2.068 178.388 176.300 0.034 0.000 1.092 12 R CA 1.947 58.059 56.100 0.020 0.000 0.989 12 R CB -0.373 29.934 30.300 0.012 0.000 0.876 12 R HN 0.596 nan 8.270 nan 0.000 0.457 13 D N 0.258 120.695 120.400 0.061 0.000 2.123 13 D HA -0.106 4.534 4.640 -0.000 0.000 0.200 13 D C 1.705 178.058 176.300 0.088 0.000 0.976 13 D CA 1.404 55.463 54.000 0.099 0.000 0.831 13 D CB -0.126 40.779 40.800 0.175 0.000 0.974 13 D HN 0.361 nan 8.370 nan 0.000 0.469 14 A N 0.957 123.838 122.820 0.102 0.000 1.933 14 A HA -0.216 4.104 4.320 -0.000 0.000 0.218 14 A C 2.152 179.746 177.584 0.017 0.000 1.175 14 A CA 1.321 53.402 52.037 0.075 0.000 0.628 14 A CB -0.516 18.537 19.000 0.089 0.000 0.814 14 A HN 0.194 nan 8.150 nan 0.000 0.444 15 Q N -1.108 118.702 119.800 0.016 0.000 2.046 15 Q HA -0.146 4.194 4.340 -0.000 0.000 0.200 15 Q C 2.423 178.415 176.000 -0.014 0.000 0.975 15 Q CA 1.440 57.244 55.803 0.001 0.000 0.836 15 Q CB -0.198 28.542 28.738 0.002 0.000 0.896 15 Q HN 0.689 nan 8.270 nan 0.000 0.428 16 R N 0.690 121.182 120.500 -0.013 0.000 2.083 16 R HA -0.172 4.168 4.340 -0.000 0.000 0.237 16 R C 2.292 178.558 176.300 -0.056 0.000 1.137 16 R CA 1.680 57.764 56.100 -0.025 0.000 0.951 16 R CB -0.214 30.078 30.300 -0.012 0.000 0.851 16 R HN 0.293 nan 8.270 nan 0.000 0.434 17 M N 0.472 120.022 119.600 -0.082 0.000 2.086 17 M HA -0.204 4.276 4.480 -0.000 0.000 0.261 17 M C 1.867 178.087 176.300 -0.132 0.000 1.067 17 M CA 2.336 57.548 55.300 -0.146 0.000 1.116 17 M CB -0.330 32.121 32.600 -0.248 0.000 1.348 17 M HN 0.160 nan 8.290 nan 0.000 0.407 18 N N 0.535 119.186 118.700 -0.082 0.000 2.069 18 N HA -0.152 4.588 4.740 -0.000 0.000 0.191 18 N C 1.466 176.944 175.510 -0.054 0.000 1.031 18 N CA 2.060 55.078 53.050 -0.055 0.000 0.852 18 N CB -0.354 38.120 38.487 -0.021 0.000 1.018 18 N HN 0.494 nan 8.380 nan 0.000 0.423 19 I N -0.411 120.133 120.570 -0.044 0.000 2.179 19 I HA -0.231 3.939 4.170 -0.000 0.000 0.242 19 I C 1.704 177.791 176.117 -0.050 0.000 1.088 19 I CA 0.584 61.863 61.300 -0.034 0.000 1.357 19 I CB -0.200 37.787 38.000 -0.023 0.000 1.051 19 I HN 0.194 nan 8.210 nan 0.000 0.409 20 L N 0.692 121.874 121.223 -0.068 0.000 2.046 20 L HA -0.160 4.180 4.340 -0.000 0.000 0.208 20 L C 2.679 179.490 176.870 -0.098 0.000 1.077 20 L CA 2.127 56.920 54.840 -0.077 0.000 0.747 20 L CB -1.269 40.738 42.059 -0.087 0.000 0.896 20 L HN 0.201 nan 8.230 nan 0.000 0.432 21 A N -0.623 122.115 122.820 -0.137 0.000 1.877 21 A HA -0.117 4.203 4.320 -0.000 0.000 0.216 21 A C 2.428 179.957 177.584 -0.092 0.000 1.186 21 A CA 1.745 53.687 52.037 -0.158 0.000 0.620 21 A CB -1.386 17.477 19.000 -0.229 0.000 0.822 21 A HN 0.438 nan 8.150 nan 0.000 0.443 22 G N -0.398 108.363 108.800 -0.066 0.000 2.418 22 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.217 22 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.217 22 G C 1.702 176.580 174.900 -0.036 0.000 1.158 22 G CA 1.375 46.451 45.100 -0.040 0.000 0.771 22 G HN 0.552 nan 8.290 nan 0.000 0.545 23 R N 0.766 121.243 120.500 -0.039 0.000 2.073 23 R HA 0.040 4.380 4.340 -0.000 0.000 0.234 23 R C 2.468 178.747 176.300 -0.034 0.000 1.134 23 R CA 1.360 57.441 56.100 -0.033 0.000 0.952 23 R CB -0.790 29.491 30.300 -0.032 0.000 0.850 23 R HN 0.433 nan 8.270 nan 0.000 0.433 24 I N 0.210 120.754 120.570 -0.044 0.000 2.226 24 I HA -0.256 3.914 4.170 -0.000 0.000 0.245 24 I C 1.835 177.931 176.117 -0.034 0.000 1.100 24 I CA 0.828 62.103 61.300 -0.041 0.000 1.374 24 I CB -0.282 37.686 38.000 -0.052 0.000 1.057 24 I HN 0.160 nan 8.210 nan 0.000 0.413 25 I N 1.097 121.646 120.570 -0.035 0.000 2.226 25 I HA -0.272 3.898 4.170 -0.000 0.000 0.245 25 I C 2.848 178.952 176.117 -0.021 0.000 1.100 25 I CA 1.709 62.994 61.300 -0.025 0.000 1.374 25 I CB -1.478 36.508 38.000 -0.023 0.000 1.057 25 I HN 0.189 nan 8.210 nan 0.000 0.413 26 A N 0.317 123.123 122.820 -0.022 0.000 1.933 26 A HA -0.176 4.144 4.320 -0.000 0.000 0.218 26 A C 2.151 179.723 177.584 -0.020 0.000 1.175 26 A CA 1.310 53.334 52.037 -0.020 0.000 0.628 26 A CB -0.406 18.581 19.000 -0.021 0.000 0.814 26 A HN 0.373 nan 8.150 nan 0.000 0.444 27 E N -0.465 119.722 120.200 -0.021 0.000 2.150 27 E HA -0.102 4.248 4.350 -0.000 0.000 0.193 27 E C 1.999 178.589 176.600 -0.017 0.000 0.985 27 E CA 1.522 57.910 56.400 -0.020 0.000 0.814 27 E CB -0.589 29.098 29.700 -0.021 0.000 0.752 27 E HN 0.590 nan 8.360 nan 0.000 0.466 28 T N 0.933 115.477 114.554 -0.017 0.000 2.857 28 T HA -0.083 4.267 4.350 -0.000 0.000 0.266 28 T C 2.099 176.792 174.700 -0.011 0.000 1.048 28 T CA 1.487 63.579 62.100 -0.013 0.000 1.139 28 T CB 0.007 68.867 68.868 -0.013 0.000 0.874 28 T HN 0.201 nan 8.240 nan 0.000 0.455 29 V N 0.131 120.038 119.914 -0.012 0.000 2.992 29 V HA 0.272 4.392 4.120 -0.000 0.000 0.250 29 V C 2.265 178.352 176.094 -0.012 0.000 1.090 29 V CA 0.735 63.029 62.300 -0.011 0.000 1.101 29 V CB -0.692 31.125 31.823 -0.010 0.000 0.743 29 V HN 0.223 nan 8.190 nan 0.000 0.468 30 R N 2.251 122.742 120.500 -0.015 0.000 2.211 30 R HA -0.164 4.176 4.340 -0.000 0.000 0.240 30 R C 2.174 178.465 176.300 -0.014 0.000 1.144 30 R CA 1.872 57.962 56.100 -0.017 0.000 0.992 30 R CB -0.448 29.840 30.300 -0.020 0.000 0.869 30 R HN 0.794 nan 8.270 nan 0.000 0.462 31 S N -1.662 114.031 115.700 -0.012 0.000 2.595 31 S HA -0.034 4.436 4.470 -0.000 0.000 0.235 31 S C 1.284 175.880 174.600 -0.006 0.000 0.974 31 S CA 1.165 59.360 58.200 -0.009 0.000 0.942 31 S CB 0.332 63.528 63.200 -0.007 0.000 0.766 31 S HN 0.272 nan 8.310 nan 0.000 0.536 32 T N 1.223 115.773 114.554 -0.007 0.000 3.015 32 T HA 0.336 4.686 4.350 -0.000 0.000 0.250 32 T C 0.275 174.972 174.700 -0.006 0.000 1.057 32 T CA -0.422 61.675 62.100 -0.004 0.000 1.066 32 T CB -0.150 68.716 68.868 -0.003 0.000 0.959 32 T HN 0.291 nan 8.240 nan 0.000 0.488 33 L N 2.499 123.716 121.223 -0.010 0.000 2.499 33 L HA 0.463 4.803 4.340 -0.000 0.000 0.273 33 L C 0.721 177.583 176.870 -0.014 0.000 1.195 33 L CA 1.253 56.085 54.840 -0.014 0.000 0.882 33 L CB -0.771 41.276 42.059 -0.019 0.000 1.133 33 L HN 0.442 nan 8.230 nan 0.000 0.483 34 G N 3.865 112.657 108.800 -0.014 0.000 2.663 34 G HA2 -0.140 3.820 3.960 -0.000 0.000 0.686 34 G HA3 -0.140 3.820 3.960 -0.000 0.000 0.686 34 G C -1.999 172.897 174.900 -0.007 0.000 1.288 34 G CA -0.451 44.640 45.100 -0.015 0.000 0.836 34 G HN 0.502 nan 8.290 nan 0.000 0.584 35 P HA -0.002 nan 4.420 nan 0.000 0.218 35 P C 1.397 178.707 177.300 0.017 0.000 1.148 35 P CA 1.271 64.374 63.100 0.005 0.000 0.822 35 P CB 0.134 31.831 31.700 -0.004 0.000 0.784 36 K N -0.505 119.902 120.400 0.010 0.000 2.446 36 K HA 0.257 4.577 4.320 -0.000 0.000 0.203 36 K C 0.967 177.573 176.600 0.011 0.000 1.027 36 K CA -0.048 56.251 56.287 0.018 0.000 1.166 36 K CB -0.150 32.360 32.500 0.016 0.000 0.869 36 K HN 0.063 nan 8.250 nan 0.000 0.504 37 G N 1.854 110.658 108.800 0.007 0.000 2.442 37 G HA2 0.314 4.274 3.960 -0.000 0.000 0.249 37 G HA3 0.314 4.274 3.960 -0.000 0.000 0.249 37 G C 0.310 175.214 174.900 0.007 0.000 1.263 37 G CA -0.422 44.680 45.100 0.003 0.000 0.846 37 G HN 0.197 nan 8.290 nan 0.000 0.555 38 M N 0.699 120.302 119.600 0.005 0.000 2.792 38 M HA 0.731 5.211 4.480 -0.000 0.000 0.294 38 M C -0.819 175.484 176.300 0.005 0.000 1.215 38 M CA -1.041 54.263 55.300 0.007 0.000 0.883 38 M CB 1.828 34.431 32.600 0.006 0.000 1.620 38 M HN 0.459 nan 8.290 nan 0.000 0.511 39 D N -0.681 119.723 120.400 0.005 0.000 2.340 39 D HA 0.578 5.218 4.640 -0.000 0.000 0.243 39 D C -1.436 174.865 176.300 0.002 0.000 0.988 39 D CA -0.784 53.218 54.000 0.004 0.000 0.959 39 D CB 1.404 42.207 40.800 0.005 0.000 1.226 39 D HN 0.640 nan 8.370 nan 0.000 0.509 40 K N -0.114 120.287 120.400 0.001 0.000 2.267 40 K HA 0.483 4.803 4.320 -0.000 0.000 0.246 40 K C -0.919 175.682 176.600 0.000 0.000 0.954 40 K CA -1.041 55.246 56.287 0.000 0.000 0.824 40 K CB 2.327 34.827 32.500 -0.001 0.000 1.167 40 K HN 0.483 nan 8.250 nan 0.000 0.431 41 M N 3.581 123.180 119.600 -0.000 0.000 2.078 41 M HA 0.316 4.796 4.480 -0.000 0.000 0.320 41 M C -1.859 174.441 176.300 -0.001 0.000 0.969 41 M CA -0.966 54.333 55.300 -0.001 0.000 0.929 41 M CB 0.653 33.252 32.600 -0.001 0.000 1.504 41 M HN 0.382 nan 8.290 nan 0.000 0.419 42 L N 5.940 127.162 121.223 -0.001 0.000 2.298 42 L HA 0.533 4.873 4.340 -0.000 0.000 0.284 42 L C -0.944 175.926 176.870 -0.001 0.000 1.013 42 L CA -0.325 54.515 54.840 -0.000 0.000 0.824 42 L CB 1.961 44.020 42.059 -0.000 0.000 1.221 42 L HN 0.439 nan 8.230 nan 0.000 0.418 43 V N 3.168 123.082 119.914 -0.000 0.000 2.326 43 V HA 0.300 4.420 4.120 -0.000 0.000 0.281 43 V C -0.268 175.826 176.094 0.000 0.000 1.015 43 V CA -1.050 61.250 62.300 -0.000 0.000 0.823 43 V CB 1.197 33.020 31.823 -0.001 0.000 1.009 43 V HN 0.796 nan 8.190 nan 0.000 0.436 44 D N 3.487 123.888 120.400 0.000 0.000 2.369 44 D HA -0.060 4.580 4.640 -0.000 0.000 0.241 44 D C 1.132 177.433 176.300 0.001 0.000 1.271 44 D CA -0.198 53.803 54.000 0.001 0.000 0.942 44 D CB 0.609 41.409 40.800 0.001 0.000 1.129 44 D HN 0.589 nan 8.370 nan 0.000 0.476 45 D N -0.398 120.003 120.400 0.001 0.000 2.351 45 D HA -0.160 4.480 4.640 -0.000 0.000 0.216 45 D C 1.611 177.912 176.300 0.001 0.000 0.968 45 D CA 0.620 54.621 54.000 0.001 0.000 0.899 45 D CB -0.137 40.664 40.800 0.002 0.000 0.907 45 D HN 0.419 nan 8.370 nan 0.000 0.514 46 L N -0.983 120.240 121.223 0.001 0.000 2.463 46 L HA 0.295 4.635 4.340 -0.000 0.000 0.219 46 L C 1.980 178.850 176.870 -0.000 0.000 1.088 46 L CA 0.610 55.450 54.840 0.000 0.000 0.849 46 L CB 0.230 42.289 42.059 0.000 0.000 1.012 46 L HN 0.323 nan 8.230 nan 0.000 0.468 47 G N -0.580 108.219 108.800 -0.000 0.000 2.278 47 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.210 47 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.210 47 G C 0.123 175.022 174.900 -0.001 0.000 1.000 47 G CA -0.066 45.033 45.100 -0.001 0.000 0.635 47 G HN 0.290 nan 8.290 nan 0.000 0.495 48 D N 1.024 121.423 120.400 -0.001 0.000 2.472 48 D HA 0.383 5.023 4.640 -0.000 0.000 0.237 48 D C 0.350 176.650 176.300 -0.002 0.000 1.141 48 D CA 0.509 54.508 54.000 -0.001 0.000 0.875 48 D CB 1.199 41.998 40.800 -0.001 0.000 1.192 48 D HN 0.383 nan 8.370 nan 0.000 0.450 49 V N 4.221 124.133 119.914 -0.002 0.000 2.540 49 V HA 0.404 4.524 4.120 -0.000 0.000 0.302 49 V C -0.174 175.918 176.094 -0.003 0.000 1.035 49 V CA -0.936 61.362 62.300 -0.002 0.000 0.873 49 V CB 1.812 33.633 31.823 -0.003 0.000 0.992 49 V HN 0.402 nan 8.190 nan 0.000 0.428 50 V N 6.289 126.202 119.914 -0.002 0.000 2.487 50 V HA 0.680 4.800 4.120 -0.000 0.000 0.298 50 V C -0.877 175.216 176.094 -0.002 0.000 1.028 50 V CA -0.247 62.052 62.300 -0.002 0.000 0.860 50 V CB 2.106 33.928 31.823 -0.001 0.000 0.991 50 V HN 0.644 nan 8.190 nan 0.000 0.427 51 V N 6.331 126.244 119.914 -0.002 0.000 2.376 51 V HA 0.706 4.826 4.120 -0.000 0.000 0.287 51 V C 0.056 176.150 176.094 -0.000 0.000 1.015 51 V CA -0.012 62.288 62.300 -0.001 0.000 0.834 51 V CB 1.364 33.185 31.823 -0.002 0.000 1.001 51 V HN 1.026 nan 8.190 nan 0.000 0.428 52 T N 2.547 117.102 114.554 0.001 0.000 2.787 52 T HA 0.377 4.727 4.350 -0.000 0.000 0.297 52 T C 0.249 174.950 174.700 0.002 0.000 1.221 52 T CA -0.176 61.925 62.100 0.001 0.000 1.006 52 T CB 1.943 70.811 68.868 0.001 0.000 1.328 52 T HN 0.654 nan 8.240 nan 0.000 0.509 53 N N 0.541 119.242 118.700 0.002 0.000 2.273 53 N HA 0.120 4.860 4.740 -0.000 0.000 0.192 53 N C -0.104 175.406 175.510 0.000 0.000 1.132 53 N CA -0.146 52.905 53.050 0.002 0.000 0.887 53 N CB -0.165 38.324 38.487 0.003 0.000 1.048 53 N HN 0.603 nan 8.380 nan 0.000 0.490 54 D N 0.441 120.841 120.400 0.001 0.000 2.450 54 D HA 0.243 4.883 4.640 -0.000 0.000 0.247 54 D C 1.463 177.762 176.300 -0.001 0.000 1.162 54 D CA 0.303 54.303 54.000 0.000 0.000 0.879 54 D CB 1.057 41.858 40.800 0.001 0.000 1.163 54 D HN 0.244 nan 8.370 nan 0.000 0.472 55 G N 2.486 111.285 108.800 -0.001 0.000 2.421 55 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.216 55 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.216 55 G C 1.555 176.455 174.900 -0.001 0.000 1.171 55 G CA 0.728 45.827 45.100 -0.002 0.000 0.775 55 G HN 0.491 nan 8.290 nan 0.000 0.543 56 V N 0.966 120.880 119.914 0.000 0.000 2.287 56 V HA -0.209 3.911 4.120 -0.000 0.000 0.248 56 V C 3.150 179.245 176.094 0.002 0.000 1.053 56 V CA 2.417 64.718 62.300 0.001 0.000 1.027 56 V CB -1.044 30.780 31.823 0.002 0.000 0.646 56 V HN 0.384 nan 8.190 nan 0.000 0.447 57 T N 0.234 114.789 114.554 0.001 0.000 2.708 57 T HA -0.133 4.217 4.350 -0.000 0.000 0.266 57 T C 1.834 176.534 174.700 0.001 0.000 1.037 57 T CA 1.882 63.983 62.100 0.001 0.000 1.146 57 T CB -0.313 68.556 68.868 0.001 0.000 0.865 57 T HN 0.338 nan 8.240 nan 0.000 0.435 58 I N 0.462 121.032 120.570 0.000 0.000 2.163 58 I HA -0.169 4.001 4.170 -0.000 0.000 0.243 58 I C 2.069 178.186 176.117 0.000 0.000 1.085 58 I CA 1.081 62.381 61.300 -0.000 0.000 1.347 58 I CB -0.281 37.718 38.000 -0.001 0.000 1.044 58 I HN 0.168 nan 8.210 nan 0.000 0.408 59 L N 0.020 121.244 121.223 0.001 0.000 2.179 59 L HA -0.067 4.273 4.340 -0.000 0.000 0.208 59 L C 2.476 179.348 176.870 0.004 0.000 1.096 59 L CA 1.413 56.254 54.840 0.002 0.000 0.779 59 L CB -0.924 41.136 42.059 0.001 0.000 0.922 59 L HN 0.146 nan 8.230 nan 0.000 0.443 60 R N -0.002 120.500 120.500 0.003 0.000 2.075 60 R HA -0.118 4.222 4.340 -0.000 0.000 0.232 60 R C 1.910 178.212 176.300 0.004 0.000 1.126 60 R CA 1.263 57.365 56.100 0.004 0.000 0.963 60 R CB 0.036 30.338 30.300 0.003 0.000 0.858 60 R HN 0.326 nan 8.270 nan 0.000 0.435 61 E N 0.582 120.783 120.200 0.003 0.000 2.072 61 E HA -0.109 4.241 4.350 -0.000 0.000 0.190 61 E C 1.172 177.774 176.600 0.003 0.000 0.982 61 E CA 0.293 56.694 56.400 0.003 0.000 0.803 61 E CB -0.282 29.419 29.700 0.002 0.000 0.755 61 E HN 0.301 nan 8.360 nan 0.000 0.453 62 M N 0.861 120.463 119.600 0.003 0.000 2.252 62 M HA -0.053 4.427 4.480 -0.000 0.000 0.321 62 M C 0.144 176.448 176.300 0.007 0.000 1.070 62 M CA 0.487 55.790 55.300 0.004 0.000 1.143 62 M CB 0.578 33.180 32.600 0.004 0.000 1.498 62 M HN -0.188 nan 8.290 nan 0.000 0.445 63 S N 4.009 119.713 115.700 0.008 0.000 2.512 63 S HA 0.423 4.893 4.470 -0.000 0.000 0.291 63 S C -0.803 173.806 174.600 0.014 0.000 1.151 63 S CA -0.853 57.353 58.200 0.010 0.000 1.120 63 S CB 0.001 63.206 63.200 0.008 0.000 1.029 63 S HN 0.531 nan 8.310 nan 0.000 0.485 64 V N 4.969 124.893 119.914 0.017 0.000 2.732 64 V HA 0.328 4.448 4.120 -0.000 0.000 0.297 64 V C 1.013 177.127 176.094 0.032 0.000 1.060 64 V CA -0.117 62.199 62.300 0.027 0.000 1.038 64 V CB 1.488 33.329 31.823 0.030 0.000 1.003 64 V HN 0.800 nan 8.190 nan 0.000 0.481 65 E N 0.657 120.886 120.200 0.047 0.000 2.288 65 E HA 0.073 4.423 4.350 -0.000 0.000 0.200 65 E C 0.678 177.308 176.600 0.050 0.000 0.880 65 E CA -0.038 56.387 56.400 0.041 0.000 0.971 65 E CB 0.011 29.733 29.700 0.038 0.000 0.954 65 E HN 0.693 nan 8.360 nan 0.000 0.489 66 H N 2.800 121.867 119.070 -0.005 0.000 2.886 66 H HA 0.018 4.574 4.556 0.000 0.000 0.329 66 H C -1.721 173.601 175.328 -0.010 0.000 1.044 66 H CA -1.190 54.852 56.048 -0.011 0.000 1.456 66 H CB 1.503 31.250 29.762 -0.026 0.000 1.464 66 H HN -0.172 nan 8.280 nan 0.000 0.573 67 P HA -0.126 nan 4.420 nan 0.000 0.215 67 P C 1.126 178.489 177.300 0.105 0.000 1.153 67 P CA 1.985 65.075 63.100 -0.016 0.000 0.853 67 P CB 0.098 31.745 31.700 -0.088 0.000 0.788 68 A N -0.117 122.875 122.820 0.287 0.000 1.933 68 A HA -0.096 4.224 4.320 -0.000 0.000 0.218 68 A C 2.298 179.949 177.584 0.111 0.000 1.175 68 A CA 2.036 54.194 52.037 0.201 0.000 0.628 68 A CB -1.539 17.575 19.000 0.191 0.000 0.814 68 A HN 0.201 nan 8.150 nan 0.000 0.444 69 A N -0.190 122.713 122.820 0.139 0.000 1.929 69 A HA -0.091 4.229 4.320 -0.000 0.000 0.216 69 A C 2.068 179.679 177.584 0.046 0.000 1.176 69 A CA 1.588 53.653 52.037 0.048 0.000 0.628 69 A CB -0.372 18.651 19.000 0.038 0.000 0.816 69 A HN 0.521 nan 8.150 nan 0.000 0.444 70 K N -1.004 119.432 120.400 0.061 0.000 2.147 70 K HA -0.093 4.227 4.320 -0.000 0.000 0.205 70 K C 2.031 178.649 176.600 0.030 0.000 1.049 70 K CA 1.572 57.882 56.287 0.038 0.000 0.936 70 K CB -0.236 32.284 32.500 0.033 0.000 0.722 70 K HN 0.600 nan 8.250 nan 0.000 0.446 71 M N 0.706 120.327 119.600 0.036 0.000 2.254 71 M HA -0.091 4.389 4.480 -0.000 0.000 0.265 71 M C 1.915 178.227 176.300 0.020 0.000 1.066 71 M CA 0.990 56.306 55.300 0.027 0.000 1.123 71 M CB 0.119 32.737 32.600 0.031 0.000 1.388 71 M HN 0.112 nan 8.290 nan 0.000 0.425 72 L N 0.780 122.014 121.223 0.018 0.000 2.156 72 L HA -0.120 4.220 4.340 -0.000 0.000 0.208 72 L C 1.921 178.797 176.870 0.009 0.000 1.095 72 L CA 1.370 56.216 54.840 0.010 0.000 0.770 72 L CB -0.603 41.457 42.059 0.002 0.000 0.914 72 L HN 0.275 nan 8.230 nan 0.000 0.439 73 I N -0.074 120.503 120.570 0.011 0.000 2.315 73 I HA -0.246 3.924 4.170 -0.000 0.000 0.251 73 I C 2.358 178.481 176.117 0.009 0.000 1.125 73 I CA 1.109 62.415 61.300 0.010 0.000 1.392 73 I CB -1.286 36.721 38.000 0.011 0.000 1.065 73 I HN 0.387 nan 8.210 nan 0.000 0.424 74 E N 0.649 120.855 120.200 0.011 0.000 2.150 74 E HA -0.114 4.236 4.350 -0.000 0.000 0.193 74 E C 2.486 179.092 176.600 0.010 0.000 0.985 74 E CA 0.794 57.200 56.400 0.011 0.000 0.814 74 E CB -0.226 29.481 29.700 0.012 0.000 0.752 74 E HN 0.343 nan 8.360 nan 0.000 0.466 75 V N 1.755 121.676 119.914 0.010 0.000 2.287 75 V HA -0.276 3.844 4.120 -0.000 0.000 0.248 75 V C 2.506 178.605 176.094 0.008 0.000 1.053 75 V CA 1.948 64.254 62.300 0.010 0.000 1.027 75 V CB -0.940 30.889 31.823 0.010 0.000 0.646 75 V HN 0.251 nan 8.190 nan 0.000 0.447 76 A N -0.352 122.471 122.820 0.006 0.000 1.902 76 A HA -0.244 4.076 4.320 -0.000 0.000 0.217 76 A C 2.304 179.891 177.584 0.005 0.000 1.181 76 A CA 2.031 54.071 52.037 0.005 0.000 0.623 76 A CB -0.443 18.559 19.000 0.003 0.000 0.818 76 A HN 0.557 nan 8.150 nan 0.000 0.443 77 K N -1.019 119.384 120.400 0.006 0.000 2.097 77 K HA -0.078 4.242 4.320 -0.000 0.000 0.205 77 K C 2.025 178.629 176.600 0.007 0.000 1.050 77 K CA 1.673 57.963 56.287 0.006 0.000 0.938 77 K CB -0.335 32.169 32.500 0.006 0.000 0.718 77 K HN 0.462 nan 8.250 nan 0.000 0.442 78 T N 0.976 115.535 114.554 0.008 0.000 2.867 78 T HA -0.147 4.203 4.350 -0.000 0.000 0.268 78 T C 1.802 176.507 174.700 0.008 0.000 1.057 78 T CA 1.131 63.236 62.100 0.009 0.000 1.136 78 T CB -0.081 68.793 68.868 0.010 0.000 0.874 78 T HN 0.153 nan 8.240 nan 0.000 0.466 79 Q N 1.181 120.986 119.800 0.008 0.000 2.084 79 Q HA -0.096 4.244 4.340 -0.000 0.000 0.202 79 Q C 2.291 178.294 176.000 0.006 0.000 0.978 79 Q CA 1.427 57.234 55.803 0.007 0.000 0.844 79 Q CB -0.227 28.515 28.738 0.006 0.000 0.898 79 Q HN 0.362 nan 8.270 nan 0.000 0.426 80 E N 0.176 120.379 120.200 0.005 0.000 2.047 80 E HA -0.166 4.184 4.350 -0.000 0.000 0.191 80 E C 1.714 178.317 176.600 0.005 0.000 0.987 80 E CA 1.131 57.533 56.400 0.004 0.000 0.799 80 E CB 0.079 29.782 29.700 0.004 0.000 0.752 80 E HN 0.368 nan 8.360 nan 0.000 0.449 81 K N 0.209 120.613 120.400 0.005 0.000 2.057 81 K HA -0.121 4.199 4.320 -0.000 0.000 0.206 81 K C 2.110 178.713 176.600 0.006 0.000 1.050 81 K CA 1.088 57.378 56.287 0.005 0.000 0.935 81 K CB 0.053 32.556 32.500 0.006 0.000 0.715 81 K HN 0.028 nan 8.250 nan 0.000 0.439 82 E N 0.088 120.292 120.200 0.007 0.000 2.051 82 E HA -0.074 4.276 4.350 -0.000 0.000 0.189 82 E C 2.041 178.645 176.600 0.007 0.000 0.979 82 E CA 1.148 57.553 56.400 0.007 0.000 0.803 82 E CB 0.204 29.909 29.700 0.009 0.000 0.761 82 E HN 0.073 nan 8.360 nan 0.000 0.451 83 V N -1.506 118.412 119.914 0.007 0.000 3.484 83 V HA 0.290 4.410 4.120 -0.000 0.000 0.252 83 V C 1.475 177.571 176.094 0.005 0.000 1.282 83 V CA 0.734 63.038 62.300 0.006 0.000 1.104 83 V CB 0.717 32.545 31.823 0.007 0.000 0.868 83 V HN 0.411 nan 8.190 nan 0.000 0.457 84 G N 0.719 109.521 108.800 0.004 0.000 5.064 84 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.277 84 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.277 84 G C 0.042 174.944 174.900 0.003 0.000 1.580 84 G CA 0.339 45.441 45.100 0.003 0.000 1.109 84 G HN 0.464 nan 8.290 nan 0.000 0.695 85 D N 1.632 122.034 120.400 0.002 0.000 2.383 85 D HA 0.509 5.149 4.640 -0.000 0.000 0.248 85 D C 1.418 177.718 176.300 0.000 0.000 1.170 85 D CA 1.459 55.460 54.000 0.001 0.000 0.977 85 D CB 0.590 41.391 40.800 0.001 0.000 1.120 85 D HN 1.826 nan 8.370 nan 0.000 0.481 86 G N 0.086 108.885 108.800 -0.002 0.000 2.141 86 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.231 86 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.231 86 G C 1.075 175.973 174.900 -0.004 0.000 0.984 86 G CA 1.267 46.364 45.100 -0.004 0.000 0.660 86 G HN 0.653 nan 8.290 nan 0.000 0.525 87 T N -2.352 112.200 114.554 -0.002 0.000 2.674 87 T HA -0.126 4.224 4.350 -0.000 0.000 0.265 87 T C 2.232 176.929 174.700 -0.005 0.000 1.039 87 T CA 2.663 64.762 62.100 -0.002 0.000 1.150 87 T CB -0.739 68.129 68.868 -0.001 0.000 0.864 87 T HN 0.334 nan 8.240 nan 0.000 0.427 88 T N 1.762 116.312 114.554 -0.007 0.000 2.777 88 T HA -0.057 4.293 4.350 -0.000 0.000 0.266 88 T C 2.311 177.003 174.700 -0.014 0.000 1.040 88 T CA 1.732 63.826 62.100 -0.010 0.000 1.141 88 T CB -0.960 67.903 68.868 -0.010 0.000 0.868 88 T HN 0.526 nan 8.240 nan 0.000 0.444 89 T N 2.290 116.835 114.554 -0.015 0.000 2.652 89 T HA -0.091 4.258 4.350 -0.000 0.000 0.267 89 T C 2.418 177.105 174.700 -0.022 0.000 1.039 89 T CA 1.324 63.411 62.100 -0.022 0.000 1.153 89 T CB -0.630 68.225 68.868 -0.021 0.000 0.863 89 T HN 0.435 nan 8.240 nan 0.000 0.428 90 A N 0.774 123.586 122.820 -0.014 0.000 1.933 90 A HA -0.032 4.288 4.320 -0.000 0.000 0.218 90 A C 2.604 180.184 177.584 -0.008 0.000 1.175 90 A CA 1.316 53.348 52.037 -0.009 0.000 0.628 90 A CB -0.955 18.044 19.000 -0.000 0.000 0.814 90 A HN 0.359 nan 8.150 nan 0.000 0.444 91 V N -0.567 119.341 119.914 -0.009 0.000 2.307 91 V HA -0.198 3.922 4.120 -0.000 0.000 0.245 91 V C 2.578 178.663 176.094 -0.015 0.000 1.045 91 V CA 1.926 64.220 62.300 -0.009 0.000 1.024 91 V CB -0.630 31.188 31.823 -0.009 0.000 0.651 91 V HN 0.369 nan 8.190 nan 0.000 0.449 92 V N -0.690 119.212 119.914 -0.020 0.000 2.307 92 V HA -0.195 3.925 4.120 -0.000 0.000 0.245 92 V C 2.423 178.496 176.094 -0.034 0.000 1.045 92 V CA 1.999 64.284 62.300 -0.026 0.000 1.024 92 V CB -0.274 31.531 31.823 -0.029 0.000 0.651 92 V HN 0.412 nan 8.190 nan 0.000 0.449 93 V N 0.111 120.001 119.914 -0.041 0.000 2.358 93 V HA -0.195 3.925 4.120 -0.000 0.000 0.246 93 V C 2.595 178.663 176.094 -0.044 0.000 1.047 93 V CA 2.098 64.362 62.300 -0.060 0.000 1.035 93 V CB -0.372 31.407 31.823 -0.072 0.000 0.658 93 V HN 0.520 nan 8.190 nan 0.000 0.452 94 A N -0.190 122.618 122.820 -0.020 0.000 1.933 94 A HA -0.042 4.278 4.320 -0.000 0.000 0.218 94 A C 2.307 179.896 177.584 0.009 0.000 1.175 94 A CA 1.885 53.925 52.037 0.004 0.000 0.628 94 A CB -1.220 17.786 19.000 0.011 0.000 0.814 94 A HN 0.617 nan 8.150 nan 0.000 0.444 95 G N -0.648 108.149 108.800 -0.005 0.000 2.414 95 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.215 95 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.215 95 G C 1.429 176.328 174.900 -0.003 0.000 1.188 95 G CA 0.854 45.950 45.100 -0.005 0.000 0.783 95 G HN 0.451 nan 8.290 nan 0.000 0.537 96 E N 0.393 120.584 120.200 -0.015 0.000 2.106 96 E HA -0.011 4.339 4.350 -0.000 0.000 0.192 96 E C 2.694 179.294 176.600 0.000 0.000 0.984 96 E CA 0.383 56.772 56.400 -0.018 0.000 0.806 96 E CB -0.249 29.426 29.700 -0.043 0.000 0.750 96 E HN 0.415 nan 8.360 nan 0.000 0.458 97 L N 0.132 121.356 121.223 0.001 0.000 2.056 97 L HA -0.193 4.147 4.340 -0.000 0.000 0.207 97 L C 2.395 179.355 176.870 0.150 0.000 1.078 97 L CA 0.530 55.404 54.840 0.057 0.000 0.749 97 L CB -0.284 41.791 42.059 0.027 0.000 0.901 97 L HN 0.132 nan 8.230 nan 0.000 0.433 98 L N -0.371 120.906 121.223 0.090 0.000 2.093 98 L HA -0.152 4.188 4.340 -0.000 0.000 0.208 98 L C 2.674 179.575 176.870 0.052 0.000 1.085 98 L CA 1.537 56.421 54.840 0.073 0.000 0.755 98 L CB -0.779 41.305 42.059 0.043 0.000 0.904 98 L HN 0.163 nan 8.230 nan 0.000 0.435 99 R N -0.359 120.163 120.500 0.037 0.000 2.066 99 R HA -0.218 4.122 4.340 -0.000 0.000 0.232 99 R C 2.281 178.603 176.300 0.035 0.000 1.131 99 R CA 1.571 57.685 56.100 0.023 0.000 0.955 99 R CB -0.060 30.246 30.300 0.009 0.000 0.851 99 R HN 0.056 nan 8.270 nan 0.000 0.432 100 K N 0.366 120.799 120.400 0.055 0.000 2.148 100 K HA -0.010 4.310 4.320 -0.000 0.000 0.204 100 K C 1.668 178.324 176.600 0.094 0.000 1.050 100 K CA 1.505 57.836 56.287 0.075 0.000 0.942 100 K CB -0.204 32.351 32.500 0.092 0.000 0.724 100 K HN 0.298 nan 8.250 nan 0.000 0.446 101 A N 0.704 123.589 122.820 0.108 0.000 1.930 101 A HA -0.119 4.201 4.320 -0.000 0.000 0.217 101 A C 2.113 179.704 177.584 0.012 0.000 1.175 101 A CA 1.518 53.586 52.037 0.051 0.000 0.627 101 A CB -0.525 18.503 19.000 0.048 0.000 0.815 101 A HN 0.419 nan 8.150 nan 0.000 0.443 102 E N 0.139 120.350 120.200 0.019 0.000 2.204 102 E HA -0.207 4.143 4.350 -0.000 0.000 0.194 102 E C 1.848 178.451 176.600 0.004 0.000 0.989 102 E CA 1.215 57.618 56.400 0.005 0.000 0.824 102 E CB -0.157 29.546 29.700 0.005 0.000 0.756 102 E HN 0.789 nan 8.360 nan 0.000 0.477 103 E N 0.133 120.341 120.200 0.014 0.000 2.204 103 E HA -0.148 4.202 4.350 -0.000 0.000 0.195 103 E C 2.229 178.835 176.600 0.010 0.000 0.990 103 E CA 0.603 57.011 56.400 0.013 0.000 0.821 103 E CB 0.038 29.750 29.700 0.021 0.000 0.750 103 E HN 0.279 nan 8.360 nan 0.000 0.477 104 L N 0.251 121.479 121.223 0.008 0.000 2.131 104 L HA -0.108 4.232 4.340 -0.000 0.000 0.206 104 L C 2.459 179.323 176.870 -0.010 0.000 1.087 104 L CA 0.470 55.310 54.840 0.000 0.000 0.767 104 L CB -0.291 41.762 42.059 -0.010 0.000 0.917 104 L HN 0.209 nan 8.230 nan 0.000 0.441 105 L N -0.097 121.116 121.223 -0.017 0.000 2.046 105 L HA -0.248 4.092 4.340 -0.000 0.000 0.208 105 L C 2.172 179.029 176.870 -0.022 0.000 1.077 105 L CA 1.456 56.279 54.840 -0.028 0.000 0.747 105 L CB -0.511 41.529 42.059 -0.031 0.000 0.896 105 L HN 0.283 nan 8.230 nan 0.000 0.432 106 D N -0.799 119.593 120.400 -0.012 0.000 2.219 106 D HA -0.183 4.457 4.640 -0.000 0.000 0.205 106 D C 2.128 178.425 176.300 -0.005 0.000 0.970 106 D CA 0.797 54.792 54.000 -0.008 0.000 0.851 106 D CB 0.192 40.990 40.800 -0.003 0.000 0.943 106 D HN 0.142 nan 8.370 nan 0.000 0.488 107 Q N 0.166 119.964 119.800 -0.003 0.000 2.482 107 Q HA 0.037 4.377 4.340 -0.000 0.000 0.209 107 Q C 0.007 176.006 176.000 -0.001 0.000 0.961 107 Q CA 0.295 56.099 55.803 0.000 0.000 0.945 107 Q CB -0.032 28.709 28.738 0.005 0.000 1.012 107 Q HN 0.366 nan 8.270 nan 0.000 0.515 108 N N -0.387 118.308 118.700 -0.008 0.000 2.814 108 N HA -0.124 4.616 4.740 -0.000 0.000 0.247 108 N C -1.190 174.320 175.510 -0.000 0.000 1.089 108 N CA 0.381 53.425 53.050 -0.011 0.000 0.682 108 N CB -1.698 36.786 38.487 -0.006 0.000 0.970 108 N HN -0.026 nan 8.380 nan 0.000 0.554 109 V N 1.723 121.636 119.914 -0.001 0.000 2.328 109 V HA 0.122 4.242 4.120 -0.000 0.000 0.278 109 V C 0.914 177.026 176.094 0.029 0.000 1.021 109 V CA -0.767 61.544 62.300 0.018 0.000 0.838 109 V CB 1.323 33.150 31.823 0.008 0.000 0.999 109 V HN 0.331 nan 8.190 nan 0.000 0.447 110 H N 9.457 128.511 119.070 -0.025 0.000 3.167 110 H HA 0.001 4.557 4.556 0.000 0.000 0.306 110 H C -1.410 173.893 175.328 -0.041 0.000 0.965 110 H CA -1.102 54.930 56.048 -0.027 0.000 1.408 110 H CB 1.482 31.231 29.762 -0.022 0.000 1.406 110 H HN 0.373 nan 8.280 nan 0.000 0.576 111 P HA -0.157 nan 4.420 nan 0.000 0.219 111 P C 1.511 178.901 177.300 0.149 0.000 1.146 111 P CA 1.335 64.486 63.100 0.085 0.000 0.808 111 P CB 0.097 31.802 31.700 0.008 0.000 0.779 112 T N -0.796 113.964 114.554 0.343 0.000 2.881 112 T HA -0.079 4.271 4.350 -0.000 0.000 0.270 112 T C 1.774 176.457 174.700 -0.028 0.000 1.068 112 T CA 0.838 62.963 62.100 0.042 0.000 1.131 112 T CB -0.646 68.092 68.868 -0.217 0.000 0.871 112 T HN -0.007 nan 8.240 nan 0.000 0.479 113 I N 0.169 120.737 120.570 -0.003 0.000 2.233 113 I HA -0.091 4.079 4.170 -0.000 0.000 0.243 113 I C 2.453 178.525 176.117 -0.076 0.000 1.093 113 I CA 0.718 61.997 61.300 -0.034 0.000 1.380 113 I CB -0.353 37.643 38.000 -0.007 0.000 1.067 113 I HN 0.087 nan 8.210 nan 0.000 0.413 114 V N 0.393 120.242 119.914 -0.109 0.000 2.287 114 V HA -0.268 3.852 4.120 -0.000 0.000 0.248 114 V C 2.411 178.259 176.094 -0.410 0.000 1.053 114 V CA 1.880 64.008 62.300 -0.287 0.000 1.027 114 V CB -0.530 31.122 31.823 -0.285 0.000 0.646 114 V HN 0.360 nan 8.190 nan 0.000 0.447 115 V N -0.306 119.485 119.914 -0.206 0.000 2.427 115 V HA -0.218 3.902 4.120 -0.000 0.000 0.248 115 V C 2.579 178.654 176.094 -0.032 0.000 1.051 115 V CA 2.295 64.537 62.300 -0.098 0.000 1.048 115 V CB -0.404 31.406 31.823 -0.022 0.000 0.666 115 V HN 0.507 nan 8.190 nan 0.000 0.456 116 K N 0.146 120.518 120.400 -0.047 0.000 2.025 116 K HA -0.083 4.237 4.320 -0.000 0.000 0.207 116 K C 2.116 178.706 176.600 -0.017 0.000 1.049 116 K CA 1.691 57.962 56.287 -0.027 0.000 0.933 116 K CB -0.945 31.532 32.500 -0.038 0.000 0.714 116 K HN 0.555 nan 8.250 nan 0.000 0.438 117 G N 0.275 109.060 108.800 -0.024 0.000 2.440 117 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.218 117 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.218 117 G C 1.403 176.365 174.900 0.102 0.000 1.154 117 G CA 0.698 45.813 45.100 0.025 0.000 0.767 117 G HN 0.253 nan 8.290 nan 0.000 0.552 118 Y N 0.887 121.160 120.300 -0.046 0.000 2.200 118 Y HA -0.051 4.498 4.550 -0.000 0.000 0.290 118 Y C 3.113 178.865 175.900 -0.247 0.000 1.137 118 Y CA 0.728 58.780 58.100 -0.080 0.000 1.163 118 Y CB -0.780 37.781 38.460 0.169 0.000 0.988 118 Y HN 0.199 nan 8.280 nan 0.000 0.518 119 Q N -0.304 119.531 119.800 0.058 0.000 2.030 119 Q HA -0.172 4.168 4.340 -0.000 0.000 0.204 119 Q C 2.596 178.532 176.000 -0.108 0.000 0.986 119 Q CA 1.638 57.433 55.803 -0.014 0.000 0.843 119 Q CB -0.717 28.025 28.738 0.006 0.000 0.904 119 Q HN 0.451 nan 8.270 nan 0.000 0.420 120 A N 1.038 123.797 122.820 -0.100 0.000 1.883 120 A HA -0.133 4.187 4.320 -0.000 0.000 0.217 120 A C 2.323 179.801 177.584 -0.176 0.000 1.186 120 A CA 2.164 54.136 52.037 -0.108 0.000 0.624 120 A CB -0.753 18.206 19.000 -0.068 0.000 0.822 120 A HN 0.400 nan 8.150 nan 0.000 0.444 121 A N -0.341 122.292 122.820 -0.312 0.000 1.930 121 A HA 0.205 4.525 4.320 -0.000 0.000 0.217 121 A C 2.490 179.708 177.584 -0.611 0.000 1.175 121 A CA 1.975 53.730 52.037 -0.471 0.000 0.627 121 A CB -0.953 17.626 19.000 -0.701 0.000 0.815 121 A HN 1.038 nan 8.150 nan 0.000 0.443 122 A N -1.084 121.274 122.820 -0.771 0.000 1.877 122 A HA -0.217 4.103 4.320 -0.000 0.000 0.216 122 A C 2.212 179.735 177.584 -0.101 0.000 1.186 122 A CA 1.791 53.635 52.037 -0.322 0.000 0.620 122 A CB -0.534 18.387 19.000 -0.132 0.000 0.822 122 A HN 0.506 nan 8.150 nan 0.000 0.443 123 Q N -0.125 119.613 119.800 -0.104 0.000 2.124 123 Q HA -0.207 4.133 4.340 -0.000 0.000 0.202 123 Q C 2.006 177.984 176.000 -0.035 0.000 0.977 123 Q CA 2.110 57.883 55.803 -0.049 0.000 0.850 123 Q CB -0.173 28.536 28.738 -0.049 0.000 0.901 123 Q HN 0.539 nan 8.270 nan 0.000 0.429 124 K N 0.378 120.748 120.400 -0.050 0.000 2.211 124 K HA 0.013 4.333 4.320 -0.000 0.000 0.203 124 K C 1.749 178.375 176.600 0.043 0.000 1.050 124 K CA 1.230 57.515 56.287 -0.005 0.000 0.945 124 K CB -0.492 32.015 32.500 0.012 0.000 0.732 124 K HN 0.192 nan 8.250 nan 0.000 0.451 125 A N 0.585 123.426 122.820 0.034 0.000 1.933 125 A HA -0.194 4.126 4.320 -0.000 0.000 0.218 125 A C 2.075 179.696 177.584 0.063 0.000 1.175 125 A CA 1.628 53.713 52.037 0.081 0.000 0.628 125 A CB -0.493 18.593 19.000 0.143 0.000 0.814 125 A HN 0.510 nan 8.150 nan 0.000 0.444 126 Q N -0.631 119.194 119.800 0.042 0.000 2.119 126 Q HA -0.183 4.157 4.340 -0.000 0.000 0.201 126 Q C 1.985 178.002 176.000 0.028 0.000 0.972 126 Q CA 1.553 57.376 55.803 0.032 0.000 0.847 126 Q CB -0.151 28.600 28.738 0.022 0.000 0.903 126 Q HN 0.777 nan 8.270 nan 0.000 0.433 127 E N 0.584 120.800 120.200 0.026 0.000 2.051 127 E HA -0.171 4.179 4.350 -0.000 0.000 0.192 127 E C 2.047 178.672 176.600 0.040 0.000 0.991 127 E CA 0.863 57.279 56.400 0.025 0.000 0.799 127 E CB -0.075 29.634 29.700 0.015 0.000 0.748 127 E HN 0.297 nan 8.360 nan 0.000 0.449 128 L N 0.461 121.720 121.223 0.060 0.000 2.083 128 L HA -0.212 4.128 4.340 -0.000 0.000 0.209 128 L C 2.369 179.269 176.870 0.050 0.000 1.083 128 L CA 0.437 55.320 54.840 0.071 0.000 0.752 128 L CB -0.281 41.833 42.059 0.091 0.000 0.899 128 L HN 0.169 nan 8.230 nan 0.000 0.433 129 L N -0.093 121.155 121.223 0.042 0.000 2.046 129 L HA -0.202 4.138 4.340 -0.000 0.000 0.208 129 L C 2.491 179.377 176.870 0.026 0.000 1.077 129 L CA 1.750 56.608 54.840 0.031 0.000 0.747 129 L CB -0.668 41.408 42.059 0.028 0.000 0.896 129 L HN 0.145 nan 8.230 nan 0.000 0.432 130 K N -1.579 118.836 120.400 0.025 0.000 2.148 130 K HA -0.096 4.224 4.320 -0.000 0.000 0.204 130 K C 1.889 178.502 176.600 0.022 0.000 1.050 130 K CA 1.566 57.865 56.287 0.020 0.000 0.942 130 K CB -0.194 32.316 32.500 0.017 0.000 0.724 130 K HN 0.333 nan 8.250 nan 0.000 0.446 131 T N 1.770 116.341 114.554 0.028 0.000 2.851 131 T HA -0.036 4.314 4.350 -0.000 0.000 0.262 131 T C 1.898 176.616 174.700 0.031 0.000 1.043 131 T CA 1.107 63.225 62.100 0.031 0.000 1.140 131 T CB -0.092 68.801 68.868 0.041 0.000 0.872 131 T HN 0.361 nan 8.240 nan 0.000 0.446 132 I N -0.096 120.494 120.570 0.034 0.000 3.226 132 I HA 0.416 4.586 4.170 -0.000 0.000 0.277 132 I C 1.147 177.281 176.117 0.028 0.000 1.243 132 I CA -0.459 60.862 61.300 0.035 0.000 1.459 132 I CB -0.525 37.500 38.000 0.042 0.000 1.093 132 I HN -0.050 nan 8.210 nan 0.000 0.453 133 A N 1.514 124.348 122.820 0.023 0.000 2.567 133 A HA 0.075 4.395 4.320 -0.000 0.000 0.240 133 A C 0.202 177.796 177.584 0.016 0.000 1.053 133 A CA -0.010 52.038 52.037 0.018 0.000 0.755 133 A CB -0.246 18.763 19.000 0.015 0.000 0.978 133 A HN 0.640 nan 8.150 nan 0.000 0.507 134 C N 4.082 123.390 119.300 0.015 0.000 2.281 134 C HA 0.499 4.959 4.460 -0.000 0.000 0.336 134 C C 0.282 175.278 174.990 0.010 0.000 1.217 134 C CA -0.737 58.288 59.018 0.013 0.000 1.730 134 C CB -1.484 26.264 27.740 0.013 0.000 2.338 134 C HN 0.886 nan 8.230 nan 0.000 0.521 135 E N 3.296 123.501 120.200 0.009 0.000 2.360 135 E HA 0.451 4.801 4.350 -0.000 0.000 0.269 135 E C 0.112 176.716 176.600 0.007 0.000 1.022 135 E CA 0.113 56.517 56.400 0.008 0.000 0.887 135 E CB 0.913 30.617 29.700 0.007 0.000 0.990 135 E HN 0.678 nan 8.360 nan 0.000 0.426 136 V N -0.928 118.989 119.914 0.006 0.000 3.130 136 V HA 0.802 4.922 4.120 -0.000 0.000 0.310 136 V C 0.381 176.478 176.094 0.005 0.000 1.158 136 V CA -1.243 61.060 62.300 0.006 0.000 1.029 136 V CB 1.803 33.630 31.823 0.006 0.000 1.057 136 V HN 0.653 nan 8.190 nan 0.000 0.436 137 G N 0.519 109.322 108.800 0.005 0.000 2.335 137 G HA2 0.476 4.436 3.960 -0.000 0.000 0.268 137 G HA3 0.476 4.436 3.960 -0.000 0.000 0.268 137 G C 1.012 175.915 174.900 0.005 0.000 1.228 137 G CA 0.234 45.337 45.100 0.004 0.000 0.968 137 G HN 1.662 nan 8.290 nan 0.000 0.459 138 A N 2.758 125.580 122.820 0.004 0.000 1.917 138 A HA -0.152 4.168 4.320 -0.000 0.000 0.219 138 A C 1.949 179.536 177.584 0.005 0.000 1.182 138 A CA 1.514 53.554 52.037 0.004 0.000 0.633 138 A CB -0.124 18.878 19.000 0.004 0.000 0.819 138 A HN 0.658 nan 8.150 nan 0.000 0.448 139 Q N -0.308 119.494 119.800 0.005 0.000 2.201 139 Q HA 0.088 4.428 4.340 -0.000 0.000 0.236 139 Q C -0.713 175.291 176.000 0.006 0.000 0.857 139 Q CA -0.407 55.399 55.803 0.005 0.000 1.025 139 Q CB 0.362 29.102 28.738 0.005 0.000 1.124 139 Q HN 0.559 nan 8.270 nan 0.000 0.473 140 D N 1.339 121.742 120.400 0.006 0.000 2.382 140 D HA -0.049 4.591 4.640 -0.000 0.000 0.259 140 D C 0.906 177.210 176.300 0.007 0.000 1.224 140 D CA 0.276 54.280 54.000 0.006 0.000 0.894 140 D CB 1.170 41.974 40.800 0.006 0.000 1.127 140 D HN -0.073 nan 8.370 nan 0.000 0.487 141 K N 3.979 124.383 120.400 0.008 0.000 2.000 141 K HA -0.272 4.048 4.320 -0.000 0.000 0.218 141 K C 1.622 178.227 176.600 0.009 0.000 1.053 141 K CA 2.121 58.413 56.287 0.008 0.000 0.946 141 K CB -0.315 32.190 32.500 0.008 0.000 0.723 141 K HN 0.422 nan 8.250 nan 0.000 0.446 142 E N 0.304 120.509 120.200 0.008 0.000 2.049 142 E HA -0.158 4.192 4.350 -0.000 0.000 0.198 142 E C 1.979 178.585 176.600 0.009 0.000 1.007 142 E CA 2.104 58.508 56.400 0.008 0.000 0.809 142 E CB -0.378 29.326 29.700 0.007 0.000 0.749 142 E HN 0.470 nan 8.360 nan 0.000 0.450 143 I N -0.047 120.528 120.570 0.008 0.000 2.361 143 I HA -0.229 3.941 4.170 -0.000 0.000 0.251 143 I C 1.869 177.992 176.117 0.010 0.000 1.133 143 I CA 0.312 61.617 61.300 0.009 0.000 1.413 143 I CB -0.166 37.839 38.000 0.008 0.000 1.073 143 I HN 0.189 nan 8.210 nan 0.000 0.424 144 L N 0.236 121.465 121.223 0.009 0.000 2.046 144 L HA -0.177 4.163 4.340 -0.000 0.000 0.208 144 L C 2.578 179.455 176.870 0.011 0.000 1.077 144 L CA 1.970 56.816 54.840 0.010 0.000 0.747 144 L CB -1.271 40.793 42.059 0.010 0.000 0.896 144 L HN 0.184 nan 8.230 nan 0.000 0.432 145 T N -1.353 113.208 114.554 0.011 0.000 2.833 145 T HA -0.193 4.157 4.350 -0.000 0.000 0.269 145 T C 1.992 176.700 174.700 0.014 0.000 1.054 145 T CA 1.121 63.228 62.100 0.012 0.000 1.135 145 T CB -0.026 68.849 68.868 0.011 0.000 0.869 145 T HN 0.061 nan 8.240 nan 0.000 0.466 146 K N 0.900 121.308 120.400 0.014 0.000 2.057 146 K HA 0.173 4.493 4.320 -0.000 0.000 0.206 146 K C 1.997 178.607 176.600 0.018 0.000 1.050 146 K CA 0.786 57.083 56.287 0.016 0.000 0.935 146 K CB -0.462 32.046 32.500 0.014 0.000 0.715 146 K HN 0.339 nan 8.250 nan 0.000 0.439 147 I N 0.191 120.770 120.570 0.015 0.000 2.142 147 I HA -0.325 3.845 4.170 -0.000 0.000 0.240 147 I C 2.224 178.352 176.117 0.019 0.000 1.078 147 I CA 1.348 62.657 61.300 0.016 0.000 1.343 147 I CB -0.439 37.568 38.000 0.013 0.000 1.046 147 I HN 0.145 nan 8.210 nan 0.000 0.405 148 A N 0.573 123.403 122.820 0.017 0.000 1.841 148 A HA -0.301 4.019 4.320 -0.000 0.000 0.216 148 A C 2.431 180.027 177.584 0.020 0.000 1.199 148 A CA 2.195 54.242 52.037 0.017 0.000 0.621 148 A CB -0.849 18.160 19.000 0.014 0.000 0.835 148 A HN 0.433 nan 8.150 nan 0.000 0.445 149 M N -0.651 118.961 119.600 0.020 0.000 2.149 149 M HA -0.155 4.325 4.480 -0.000 0.000 0.261 149 M C 2.056 178.375 176.300 0.031 0.000 1.064 149 M CA 2.143 57.456 55.300 0.021 0.000 1.102 149 M CB -0.352 32.259 32.600 0.019 0.000 1.369 149 M HN 0.495 nan 8.290 nan 0.000 0.408 150 T N 0.032 114.608 114.554 0.037 0.000 2.788 150 T HA -0.106 4.244 4.350 -0.000 0.000 0.268 150 T C 1.820 176.562 174.700 0.069 0.000 1.044 150 T CA 1.746 63.879 62.100 0.054 0.000 1.139 150 T CB -0.188 68.705 68.868 0.043 0.000 0.867 150 T HN 0.446 nan 8.240 nan 0.000 0.454 151 S N 1.149 116.879 115.700 0.050 0.000 2.345 151 S HA 0.023 4.493 4.470 -0.000 0.000 0.220 151 S C 2.061 176.689 174.600 0.047 0.000 1.031 151 S CA 0.920 59.151 58.200 0.051 0.000 0.996 151 S CB -0.397 62.823 63.200 0.034 0.000 0.882 151 S HN 0.421 nan 8.310 nan 0.000 0.445 152 I N 1.796 122.385 120.570 0.030 0.000 2.286 152 I HA -0.124 4.046 4.170 -0.000 0.000 0.248 152 I C 1.141 177.261 176.117 0.005 0.000 1.115 152 I CA 0.651 61.959 61.300 0.014 0.000 1.392 152 I CB -1.019 36.986 38.000 0.009 0.000 1.065 152 I HN 0.330 nan 8.210 nan 0.000 0.418 153 T N 0.097 114.662 114.554 0.019 0.000 2.934 153 T HA 0.305 4.655 4.350 -0.000 0.000 0.306 153 T C 1.091 175.766 174.700 -0.042 0.000 1.042 153 T CA 0.139 62.239 62.100 0.001 0.000 1.145 153 T CB 1.105 69.996 68.868 0.037 0.000 0.982 153 T HN 0.646 nan 8.240 nan 0.000 0.544 154 G N 1.945 110.664 108.800 -0.134 0.000 2.157 154 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.239 154 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.239 154 G C -0.066 174.720 174.900 -0.190 0.000 0.982 154 G CA 0.206 45.133 45.100 -0.288 0.000 0.650 154 G HN 0.904 nan 8.290 nan 0.000 0.527 155 K N -0.951 119.384 120.400 -0.108 0.000 2.352 155 K HA 0.610 4.930 4.320 -0.000 0.000 0.240 155 K C 1.610 178.165 176.600 -0.074 0.000 1.017 155 K CA -0.557 55.682 56.287 -0.081 0.000 0.851 155 K CB 1.269 33.740 32.500 -0.049 0.000 1.261 155 K HN 0.174 nan 8.250 nan 0.000 0.451 156 G N 0.514 109.270 108.800 -0.074 0.000 2.442 156 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.219 156 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.219 156 G C 1.207 176.077 174.900 -0.049 0.000 1.141 156 G CA 1.263 46.323 45.100 -0.066 0.000 0.763 156 G HN 0.613 nan 8.290 nan 0.000 0.554 157 A N 0.275 123.069 122.820 -0.043 0.000 2.209 157 A HA 0.122 4.442 4.320 -0.000 0.000 0.212 157 A C 2.018 179.588 177.584 -0.024 0.000 1.158 157 A CA 1.457 53.477 52.037 -0.028 0.000 0.742 157 A CB -0.248 18.739 19.000 -0.021 0.000 0.790 157 A HN 0.369 nan 8.150 nan 0.000 0.472 158 E N 0.965 121.146 120.200 -0.031 0.000 2.267 158 E HA -0.218 4.132 4.350 -0.000 0.000 0.197 158 E C 1.150 177.738 176.600 -0.020 0.000 0.998 158 E CA 0.912 57.297 56.400 -0.026 0.000 0.830 158 E CB -0.115 29.561 29.700 -0.040 0.000 0.751 158 E HN 0.443 nan 8.360 nan 0.000 0.491 159 K N -0.165 120.222 120.400 -0.021 0.000 2.160 159 K HA -0.131 4.189 4.320 -0.000 0.000 0.206 159 K C 1.258 177.851 176.600 -0.010 0.000 1.047 159 K CA 1.251 57.528 56.287 -0.016 0.000 0.930 159 K CB -0.109 32.381 32.500 -0.017 0.000 0.720 159 K HN 0.112 nan 8.250 nan 0.000 0.450 160 A N 1.451 124.265 122.820 -0.009 0.000 2.855 160 A HA 0.106 4.426 4.320 -0.000 0.000 0.301 160 A C 1.312 178.895 177.584 -0.002 0.000 1.076 160 A CA -0.447 51.588 52.037 -0.004 0.000 1.004 160 A CB 0.002 19.001 19.000 -0.002 0.000 1.152 160 A HN 0.272 nan 8.150 nan 0.000 0.531 161 K N -0.172 120.226 120.400 -0.002 0.000 2.147 161 K HA -0.165 4.155 4.320 -0.000 0.000 0.205 161 K C 0.930 177.533 176.600 0.005 0.000 1.049 161 K CA 1.814 58.102 56.287 0.002 0.000 0.936 161 K CB -0.074 32.427 32.500 0.002 0.000 0.722 161 K HN 0.314 nan 8.250 nan 0.000 0.446 162 E N 1.624 121.827 120.200 0.004 0.000 2.028 162 E HA -0.128 4.222 4.350 -0.000 0.000 0.191 162 E C 1.985 178.589 176.600 0.006 0.000 0.988 162 E CA 1.378 57.781 56.400 0.006 0.000 0.799 162 E CB -0.052 29.651 29.700 0.005 0.000 0.755 162 E HN 0.372 nan 8.360 nan 0.000 0.447 163 K N 0.218 120.621 120.400 0.005 0.000 2.026 163 K HA -0.146 4.174 4.320 -0.000 0.000 0.208 163 K C 1.809 178.414 176.600 0.008 0.000 1.048 163 K CA 0.899 57.190 56.287 0.007 0.000 0.929 163 K CB -0.050 32.453 32.500 0.006 0.000 0.713 163 K HN -0.003 nan 8.250 nan 0.000 0.439 164 L N 1.062 122.290 121.223 0.008 0.000 2.046 164 L HA -0.106 4.234 4.340 -0.000 0.000 0.208 164 L C 2.470 179.346 176.870 0.010 0.000 1.077 164 L CA 1.984 56.829 54.840 0.009 0.000 0.747 164 L CB -1.056 41.007 42.059 0.007 0.000 0.896 164 L HN 0.255 nan 8.230 nan 0.000 0.432 165 A N -0.998 121.828 122.820 0.010 0.000 1.933 165 A HA -0.236 4.084 4.320 -0.000 0.000 0.218 165 A C 2.304 179.895 177.584 0.011 0.000 1.175 165 A CA 1.714 53.757 52.037 0.011 0.000 0.628 165 A CB -0.456 18.551 19.000 0.012 0.000 0.814 165 A HN 0.406 nan 8.150 nan 0.000 0.444 166 E N 0.737 120.943 120.200 0.011 0.000 2.028 166 E HA -0.174 4.176 4.350 -0.000 0.000 0.191 166 E C 1.867 178.474 176.600 0.013 0.000 0.988 166 E CA 1.728 58.134 56.400 0.011 0.000 0.799 166 E CB -0.501 29.206 29.700 0.010 0.000 0.755 166 E HN 0.724 nan 8.360 nan 0.000 0.447 167 I N -1.462 119.116 120.570 0.013 0.000 2.286 167 I HA -0.178 3.992 4.170 -0.000 0.000 0.248 167 I C 2.220 178.345 176.117 0.015 0.000 1.115 167 I CA 1.266 62.575 61.300 0.015 0.000 1.392 167 I CB -0.455 37.554 38.000 0.016 0.000 1.065 167 I HN 0.038 nan 8.210 nan 0.000 0.418 168 I N 0.968 121.546 120.570 0.013 0.000 2.202 168 I HA -0.179 3.991 4.170 -0.000 0.000 0.242 168 I C 2.659 178.783 176.117 0.012 0.000 1.091 168 I CA 1.026 62.333 61.300 0.013 0.000 1.368 168 I CB -0.278 37.729 38.000 0.012 0.000 1.058 168 I HN 0.085 nan 8.210 nan 0.000 0.410 169 V N 0.828 120.749 119.914 0.012 0.000 2.343 169 V HA -0.275 3.845 4.120 -0.000 0.000 0.247 169 V C 2.522 178.624 176.094 0.013 0.000 1.051 169 V CA 2.150 64.457 62.300 0.012 0.000 1.036 169 V CB -0.581 31.249 31.823 0.012 0.000 0.654 169 V HN 0.436 nan 8.190 nan 0.000 0.451 170 E N 0.883 121.092 120.200 0.015 0.000 2.072 170 E HA -0.159 4.191 4.350 -0.000 0.000 0.191 170 E C 2.115 178.725 176.600 0.018 0.000 0.985 170 E CA 1.673 58.084 56.400 0.017 0.000 0.801 170 E CB -0.505 29.206 29.700 0.018 0.000 0.750 170 E HN 0.484 nan 8.360 nan 0.000 0.452 171 A N 0.227 123.057 122.820 0.016 0.000 1.883 171 A HA -0.175 4.145 4.320 -0.000 0.000 0.217 171 A C 2.529 180.121 177.584 0.014 0.000 1.186 171 A CA 1.945 53.991 52.037 0.015 0.000 0.624 171 A CB -0.964 18.044 19.000 0.013 0.000 0.822 171 A HN 0.206 nan 8.150 nan 0.000 0.444 172 V N -0.474 119.447 119.914 0.012 0.000 2.295 172 V HA -0.215 3.905 4.120 -0.000 0.000 0.246 172 V C 2.792 178.893 176.094 0.011 0.000 1.049 172 V CA 2.324 64.629 62.300 0.010 0.000 1.024 172 V CB -0.924 30.905 31.823 0.009 0.000 0.648 172 V HN 0.664 nan 8.190 nan 0.000 0.447 173 S N -0.215 115.492 115.700 0.012 0.000 2.383 173 S HA -0.211 4.259 4.470 -0.000 0.000 0.229 173 S C 2.074 176.683 174.600 0.015 0.000 1.030 173 S CA 1.704 59.912 58.200 0.012 0.000 1.002 173 S CB -0.312 62.896 63.200 0.014 0.000 0.829 173 S HN 0.622 nan 8.310 nan 0.000 0.467 174 A N 0.835 123.667 122.820 0.020 0.000 1.898 174 A HA 0.015 4.335 4.320 -0.000 0.000 0.216 174 A C 2.371 179.967 177.584 0.021 0.000 1.181 174 A CA 1.735 53.788 52.037 0.027 0.000 0.620 174 A CB -0.938 18.082 19.000 0.034 0.000 0.819 174 A HN 0.944 nan 8.150 nan 0.000 0.442 175 V N -3.168 116.755 119.914 0.015 0.000 2.951 175 V HA -0.001 4.119 4.120 -0.000 0.000 0.255 175 V C 2.059 178.157 176.094 0.006 0.000 1.088 175 V CA 1.435 63.742 62.300 0.010 0.000 1.109 175 V CB -0.542 31.285 31.823 0.007 0.000 0.724 175 V HN 0.179 nan 8.190 nan 0.000 0.471 176 V N 0.586 120.504 119.914 0.006 0.000 2.626 176 V HA -0.125 3.995 4.120 -0.000 0.000 0.252 176 V C 1.699 177.794 176.094 0.000 0.000 1.067 176 V CA 2.446 64.748 62.300 0.003 0.000 1.081 176 V CB -0.517 31.308 31.823 0.004 0.000 0.686 176 V HN 0.850 nan 8.190 nan 0.000 0.468 177 D N -0.733 119.667 120.400 -0.000 0.000 4.508 177 D HA -0.222 4.418 4.640 -0.000 0.000 0.178 177 D C 0.637 176.933 176.300 -0.007 0.000 0.644 177 D CA 1.991 55.987 54.000 -0.006 0.000 1.244 177 D CB -1.207 39.589 40.800 -0.007 0.000 0.727 177 D HN 0.577 nan 8.370 nan 0.000 0.495 178 D N 1.329 121.725 120.400 -0.007 0.000 2.377 178 D HA 0.251 4.891 4.640 -0.000 0.000 0.245 178 D C -0.213 176.085 176.300 -0.003 0.000 1.196 178 D CA 0.101 54.097 54.000 -0.006 0.000 0.962 178 D CB 0.619 41.415 40.800 -0.007 0.000 1.127 178 D HN 0.290 nan 8.370 nan 0.000 0.471 179 E N 0.338 120.536 120.200 -0.003 0.000 2.136 179 E HA 0.512 4.862 4.350 -0.000 0.000 0.246 179 E C -0.924 175.676 176.600 -0.001 0.000 1.017 179 E CA -0.590 55.810 56.400 -0.001 0.000 0.883 179 E CB -0.415 29.284 29.700 -0.001 0.000 1.199 179 E HN 0.494 nan 8.360 nan 0.000 0.447 180 G N 2.370 111.169 108.800 -0.000 0.000 2.405 180 G HA2 0.232 4.192 3.960 -0.000 0.000 0.303 180 G HA3 0.232 4.192 3.960 -0.000 0.000 0.303 180 G C -1.923 172.977 174.900 0.000 0.000 1.644 180 G CA -0.936 44.163 45.100 -0.000 0.000 0.899 180 G HN 0.210 nan 8.290 nan 0.000 0.667 181 K N 0.367 120.767 120.400 -0.000 0.000 2.427 181 K HA 0.778 5.098 4.320 -0.000 0.000 0.252 181 K C -1.292 175.309 176.600 0.001 0.000 0.931 181 K CA -0.776 55.511 56.287 0.000 0.000 0.793 181 K CB 2.345 34.845 32.500 -0.000 0.000 1.211 181 K HN 1.020 nan 8.250 nan 0.000 0.426 182 V N 2.884 122.799 119.914 0.001 0.000 2.555 182 V HA 0.563 4.683 4.120 -0.000 0.000 0.302 182 V C -1.579 174.515 176.094 0.001 0.000 1.038 182 V CA -0.525 61.776 62.300 0.001 0.000 0.887 182 V CB 1.843 33.667 31.823 0.003 0.000 0.991 182 V HN 0.894 nan 8.190 nan 0.000 0.434 183 D N 4.698 125.098 120.400 0.000 0.000 2.461 183 D HA 0.248 4.888 4.640 -0.000 0.000 0.240 183 D C 0.770 177.069 176.300 -0.001 0.000 1.094 183 D CA -0.300 53.700 54.000 -0.001 0.000 0.868 183 D CB 1.628 42.426 40.800 -0.003 0.000 1.062 183 D HN 0.658 nan 8.370 nan 0.000 0.530 184 K N 2.598 122.998 120.400 -0.001 0.000 2.520 184 K HA -0.188 4.132 4.320 -0.000 0.000 0.197 184 K C 0.823 177.421 176.600 -0.003 0.000 1.043 184 K CA 0.878 57.164 56.287 -0.001 0.000 0.944 184 K CB 0.235 32.735 32.500 0.001 0.000 0.770 184 K HN 0.281 nan 8.250 nan 0.000 0.480 185 D N 0.231 120.628 120.400 -0.005 0.000 2.264 185 D HA -0.097 4.543 4.640 -0.000 0.000 0.208 185 D C 1.320 177.614 176.300 -0.011 0.000 0.966 185 D CA 0.733 54.728 54.000 -0.009 0.000 0.864 185 D CB 0.176 40.971 40.800 -0.009 0.000 0.933 185 D HN 0.258 nan 8.370 nan 0.000 0.499 186 L N -0.106 121.112 121.223 -0.008 0.000 2.591 186 L HA 0.194 4.534 4.340 -0.000 0.000 0.228 186 L C 0.270 177.136 176.870 -0.007 0.000 1.133 186 L CA 0.123 54.958 54.840 -0.009 0.000 0.880 186 L CB 0.142 42.198 42.059 -0.004 0.000 1.033 186 L HN 0.011 nan 8.230 nan 0.000 0.450 187 I N 0.701 121.267 120.570 -0.006 0.000 2.405 187 I HA 0.181 4.351 4.170 -0.000 0.000 0.280 187 I C 0.126 176.239 176.117 -0.008 0.000 1.027 187 I CA -0.325 60.973 61.300 -0.004 0.000 1.161 187 I CB 1.259 39.259 38.000 0.001 0.000 1.300 187 I HN -0.006 nan 8.210 nan 0.000 0.463 188 K N 6.352 126.744 120.400 -0.013 0.000 2.185 188 K HA 0.469 4.789 4.320 -0.000 0.000 0.271 188 K C -0.738 175.854 176.600 -0.013 0.000 1.013 188 K CA -0.470 55.806 56.287 -0.018 0.000 0.943 188 K CB 1.060 33.542 32.500 -0.031 0.000 0.998 188 K HN 0.437 nan 8.250 nan 0.000 0.468 189 I N 3.930 124.492 120.570 -0.012 0.000 2.390 189 I HA 0.166 4.336 4.170 -0.000 0.000 0.283 189 I C -0.556 175.555 176.117 -0.010 0.000 1.016 189 I CA -0.624 60.672 61.300 -0.006 0.000 1.151 189 I CB 0.977 38.977 38.000 -0.000 0.000 1.293 189 I HN 0.686 nan 8.210 nan 0.000 0.458 190 E N 7.559 127.751 120.200 -0.013 0.000 2.151 190 E HA 0.501 4.851 4.350 -0.000 0.000 0.275 190 E C -0.889 175.711 176.600 0.000 0.000 0.936 190 E CA -0.624 55.766 56.400 -0.016 0.000 0.777 190 E CB 1.143 30.819 29.700 -0.040 0.000 1.108 190 E HN 0.539 nan 8.360 nan 0.000 0.401 191 K N 2.781 123.184 120.400 0.004 0.000 2.471 191 K HA 0.616 4.936 4.320 -0.000 0.000 0.252 191 K C -1.121 175.489 176.600 0.017 0.000 0.938 191 K CA -1.165 55.131 56.287 0.015 0.000 0.796 191 K CB 1.632 34.142 32.500 0.016 0.000 1.161 191 K HN 0.180 nan 8.250 nan 0.000 0.425 192 K N 1.874 122.289 120.400 0.025 0.000 2.578 192 K HA 0.187 4.507 4.320 -0.000 0.000 0.250 192 K C -1.019 175.599 176.600 0.030 0.000 0.955 192 K CA -0.375 55.928 56.287 0.028 0.000 0.825 192 K CB 2.072 34.593 32.500 0.035 0.000 1.151 192 K HN 0.701 nan 8.250 nan 0.000 0.432 193 S N 2.627 118.344 115.700 0.027 0.000 2.563 193 S HA 0.563 5.033 4.470 -0.000 0.000 0.284 193 S C 0.110 174.725 174.600 0.025 0.000 1.331 193 S CA 1.271 59.486 58.200 0.025 0.000 1.047 193 S CB -0.146 63.070 63.200 0.026 0.000 0.859 193 S HN 1.087 nan 8.310 nan 0.000 0.514 194 G N 1.502 110.315 108.800 0.021 0.000 2.375 194 G HA2 0.518 4.478 3.960 -0.000 0.000 0.663 194 G HA3 0.518 4.478 3.960 -0.000 0.000 0.663 194 G C -0.114 174.796 174.900 0.018 0.000 1.391 194 G CA -0.011 45.101 45.100 0.020 0.000 0.949 194 G HN 2.128 nan 8.290 nan 0.000 0.646 195 A N -0.625 122.204 122.820 0.014 0.000 5.949 195 A HA 0.376 4.696 4.320 -0.000 0.000 0.275 195 A C 1.158 178.747 177.584 0.008 0.000 2.055 195 A CA 1.933 53.976 52.037 0.010 0.000 0.713 195 A CB -1.612 17.396 19.000 0.013 0.000 1.146 195 A HN 2.691 nan 8.150 nan 0.000 0.370 196 S N -2.945 112.759 115.700 0.005 0.000 2.806 196 S HA 0.639 5.109 4.470 -0.000 0.000 0.315 196 S C 1.073 175.674 174.600 0.003 0.000 1.127 196 S CA 0.218 58.419 58.200 0.002 0.000 0.918 196 S CB 1.252 64.451 63.200 -0.001 0.000 1.240 196 S HN 1.905 nan 8.310 nan 0.000 0.552 197 I N 1.868 122.437 120.570 -0.002 0.000 2.493 197 I HA -0.027 4.143 4.170 -0.000 0.000 0.254 197 I C 1.283 177.400 176.117 0.000 0.000 1.160 197 I CA 1.684 62.983 61.300 -0.002 0.000 1.445 197 I CB -0.422 37.572 38.000 -0.009 0.000 1.086 197 I HN 0.581 nan 8.210 nan 0.000 0.433 198 D N 0.696 121.095 120.400 -0.001 0.000 2.178 198 D HA -0.178 4.462 4.640 -0.000 0.000 0.201 198 D C 1.559 177.861 176.300 0.003 0.000 0.980 198 D CA 1.344 55.344 54.000 -0.000 0.000 0.842 198 D CB -0.298 40.501 40.800 -0.002 0.000 0.948 198 D HN 0.444 nan 8.370 nan 0.000 0.472 199 D N -0.352 120.052 120.400 0.005 0.000 2.348 199 D HA -0.029 4.611 4.640 -0.000 0.000 0.216 199 D C 0.362 176.672 176.300 0.016 0.000 0.970 199 D CA 0.499 54.504 54.000 0.009 0.000 0.889 199 D CB -0.044 40.762 40.800 0.010 0.000 0.912 199 D HN 0.019 nan 8.370 nan 0.000 0.524 200 T N 1.323 115.887 114.554 0.016 0.000 2.908 200 T HA 0.147 4.497 4.350 -0.000 0.000 0.325 200 T C 0.318 175.033 174.700 0.024 0.000 1.092 200 T CA 0.286 62.400 62.100 0.022 0.000 1.125 200 T CB 0.423 69.300 68.868 0.016 0.000 1.016 200 T HN 0.318 nan 8.240 nan 0.000 0.550 201 E N 0.754 120.973 120.200 0.033 0.000 2.429 201 E HA 0.554 4.904 4.350 -0.000 0.000 0.280 201 E C -1.814 174.810 176.600 0.040 0.000 1.068 201 E CA -1.081 55.339 56.400 0.034 0.000 0.837 201 E CB 0.969 30.691 29.700 0.037 0.000 1.357 201 E HN 0.349 nan 8.360 nan 0.000 0.455 202 L N 1.226 122.471 121.223 0.036 0.000 2.317 202 L HA 0.592 4.932 4.340 -0.000 0.000 0.281 202 L C -1.532 175.366 176.870 0.047 0.000 1.024 202 L CA -0.550 54.312 54.840 0.037 0.000 0.810 202 L CB 1.343 43.418 42.059 0.026 0.000 1.240 202 L HN 0.626 nan 8.230 nan 0.000 0.427 203 I N 4.316 124.919 120.570 0.054 0.000 2.411 203 I HA 0.327 4.497 4.170 -0.000 0.000 0.284 203 I C -0.225 175.919 176.117 0.046 0.000 1.012 203 I CA -0.476 60.865 61.300 0.069 0.000 1.119 203 I CB 1.359 39.430 38.000 0.118 0.000 1.261 203 I HN 0.419 nan 8.210 nan 0.000 0.448 204 K N 4.798 125.220 120.400 0.036 0.000 2.199 204 K HA 0.545 4.865 4.320 -0.000 0.000 0.226 204 K C 0.427 177.041 176.600 0.023 0.000 1.237 204 K CA 0.066 56.367 56.287 0.024 0.000 1.170 204 K CB -0.337 32.171 32.500 0.013 0.000 1.418 204 K HN 0.874 nan 8.250 nan 0.000 0.255 205 G N -1.403 107.411 108.800 0.023 0.000 2.441 205 G HA2 0.263 4.223 3.960 -0.000 0.000 0.225 205 G HA3 0.263 4.223 3.960 -0.000 0.000 0.225 205 G C -1.617 173.283 174.900 -0.001 0.000 1.200 205 G CA -0.630 44.480 45.100 0.017 0.000 0.947 205 G HN 0.064 nan 8.290 nan 0.000 0.484 206 V N 0.381 120.286 119.914 -0.016 0.000 3.007 206 V HA 0.746 4.866 4.120 -0.000 0.000 0.311 206 V C -0.875 175.144 176.094 -0.125 0.000 1.120 206 V CA -0.679 61.583 62.300 -0.063 0.000 0.980 206 V CB 2.012 33.788 31.823 -0.079 0.000 1.033 206 V HN 0.829 nan 8.190 nan 0.000 0.429 207 L N 4.054 125.161 121.223 -0.194 0.000 2.345 207 L HA 0.694 5.034 4.340 -0.000 0.000 0.274 207 L C -1.203 175.507 176.870 -0.266 0.000 0.999 207 L CA -0.368 54.239 54.840 -0.390 0.000 0.849 207 L CB 1.459 43.227 42.059 -0.485 0.000 1.220 207 L HN 0.487 nan 8.230 nan 0.000 0.422 208 V N 3.325 123.099 119.914 -0.234 0.000 2.472 208 V HA 0.254 4.374 4.120 -0.000 0.000 0.290 208 V C -0.218 175.811 176.094 -0.108 0.000 1.037 208 V CA -0.656 61.571 62.300 -0.121 0.000 0.908 208 V CB 1.702 33.501 31.823 -0.040 0.000 0.985 208 V HN 0.778 nan 8.190 nan 0.000 0.454 209 D N 3.412 123.773 120.400 -0.066 0.000 2.896 209 D HA 0.276 4.916 4.640 -0.000 0.000 0.240 209 D C -0.142 176.155 176.300 -0.005 0.000 1.193 209 D CA -0.257 53.719 54.000 -0.039 0.000 0.983 209 D CB 0.202 40.983 40.800 -0.032 0.000 1.074 209 D HN 0.500 nan 8.370 nan 0.000 0.496 210 K N -0.087 120.318 120.400 0.010 0.000 2.439 210 K HA 0.511 4.831 4.320 -0.000 0.000 0.260 210 K C -0.633 175.988 176.600 0.034 0.000 1.032 210 K CA -0.919 55.386 56.287 0.031 0.000 0.882 210 K CB 2.544 35.080 32.500 0.059 0.000 1.420 210 K HN 0.088 nan 8.250 nan 0.000 0.455 211 E N 0.705 120.923 120.200 0.029 0.000 2.320 211 E HA 0.288 4.638 4.350 -0.000 0.000 0.264 211 E C -1.072 175.533 176.600 0.007 0.000 0.923 211 E CA -0.840 55.574 56.400 0.024 0.000 0.796 211 E CB 1.567 31.279 29.700 0.020 0.000 1.262 211 E HN 0.288 nan 8.360 nan 0.000 0.428 212 R N 1.825 122.326 120.500 0.002 0.000 2.404 212 R HA 0.046 4.386 4.340 -0.000 0.000 0.315 212 R C 1.089 177.378 176.300 -0.018 0.000 1.032 212 R CA -0.224 55.862 56.100 -0.022 0.000 0.992 212 R CB 0.471 30.761 30.300 -0.016 0.000 0.959 212 R HN 0.376 nan 8.270 nan 0.000 0.428 213 V N 1.773 121.668 119.914 -0.032 0.000 2.380 213 V HA -0.203 3.917 4.120 -0.000 0.000 0.251 213 V C 1.211 177.299 176.094 -0.010 0.000 1.063 213 V CA 1.793 64.080 62.300 -0.023 0.000 1.055 213 V CB -0.239 31.562 31.823 -0.036 0.000 0.657 213 V HN 0.709 nan 8.190 nan 0.000 0.455 214 S N -1.412 114.284 115.700 -0.007 0.000 2.501 214 S HA 0.658 5.128 4.470 -0.000 0.000 0.301 214 S C 0.872 175.479 174.600 0.011 0.000 1.096 214 S CA -0.186 58.022 58.200 0.012 0.000 1.063 214 S CB 1.894 65.112 63.200 0.029 0.000 1.042 214 S HN 0.311 nan 8.310 nan 0.000 0.494 215 A N 3.440 126.269 122.820 0.015 0.000 1.930 215 A HA -0.022 4.298 4.320 -0.000 0.000 0.217 215 A C 1.919 179.509 177.584 0.009 0.000 1.175 215 A CA 1.022 53.065 52.037 0.010 0.000 0.627 215 A CB -0.475 18.530 19.000 0.008 0.000 0.815 215 A HN 0.806 nan 8.150 nan 0.000 0.443 216 Q N -0.490 119.317 119.800 0.013 0.000 2.472 216 Q HA 0.121 4.461 4.340 -0.000 0.000 0.208 216 Q C 0.492 176.500 176.000 0.014 0.000 0.958 216 Q CA 0.208 56.017 55.803 0.011 0.000 0.932 216 Q CB -0.338 28.406 28.738 0.010 0.000 1.007 216 Q HN 0.692 nan 8.270 nan 0.000 0.508 217 M N 1.795 121.403 119.600 0.013 0.000 2.248 217 M HA 0.093 4.573 4.480 -0.000 0.000 0.337 217 M C -1.948 174.355 176.300 0.006 0.000 1.121 217 M CA -1.430 53.874 55.300 0.008 0.000 1.155 217 M CB -0.103 32.495 32.600 -0.003 0.000 1.514 217 M HN -0.194 nan 8.290 nan 0.000 0.452 218 P HA 0.003 nan 4.420 nan 0.000 0.267 218 P C -0.329 176.975 177.300 0.007 0.000 1.200 218 P CA 0.194 63.298 63.100 0.007 0.000 0.772 218 P CB 0.469 32.173 31.700 0.007 0.000 0.855 219 K N 1.268 121.673 120.400 0.008 0.000 2.393 219 K HA 0.051 4.371 4.320 -0.000 0.000 0.193 219 K C 0.088 176.696 176.600 0.014 0.000 1.026 219 K CA 0.431 56.724 56.287 0.011 0.000 1.064 219 K CB 0.184 32.689 32.500 0.009 0.000 0.833 219 K HN 0.142 nan 8.250 nan 0.000 0.521 220 K N 0.249 120.656 120.400 0.012 0.000 2.571 220 K HA 0.228 4.548 4.320 -0.000 0.000 0.252 220 K C -2.224 174.384 176.600 0.013 0.000 0.956 220 K CA -0.656 55.639 56.287 0.013 0.000 0.822 220 K CB 2.036 34.541 32.500 0.008 0.000 1.286 220 K HN -0.116 nan 8.250 nan 0.000 0.439 221 V N 3.896 123.821 119.914 0.018 0.000 2.638 221 V HA 0.773 4.893 4.120 -0.000 0.000 0.306 221 V C -1.256 174.850 176.094 0.020 0.000 1.052 221 V CA -0.029 62.282 62.300 0.018 0.000 0.885 221 V CB 1.983 33.819 31.823 0.021 0.000 0.999 221 V HN 0.953 nan 8.190 nan 0.000 0.424 222 T N 1.541 116.105 114.554 0.016 0.000 2.855 222 T HA 0.515 4.865 4.350 -0.000 0.000 0.281 222 T C 0.030 174.739 174.700 0.016 0.000 1.007 222 T CA 0.175 62.284 62.100 0.015 0.000 1.009 222 T CB 1.258 70.132 68.868 0.010 0.000 0.983 222 T HN 1.075 nan 8.240 nan 0.000 0.455 223 D N 0.671 121.081 120.400 0.016 0.000 2.689 223 D HA -0.156 4.484 4.640 -0.000 0.000 0.237 223 D C 0.396 176.709 176.300 0.022 0.000 1.148 223 D CA 0.875 54.885 54.000 0.017 0.000 0.656 223 D CB -1.216 39.591 40.800 0.013 0.000 1.050 223 D HN 1.121 nan 8.370 nan 0.000 0.426 224 A N 1.316 124.153 122.820 0.028 0.000 2.498 224 A HA 0.369 4.689 4.320 -0.000 0.000 0.239 224 A C 0.536 178.143 177.584 0.038 0.000 1.068 224 A CA 0.231 52.289 52.037 0.035 0.000 0.766 224 A CB 0.578 19.605 19.000 0.046 0.000 1.003 224 A HN 0.161 nan 8.150 nan 0.000 0.497 225 K N 2.486 122.909 120.400 0.038 0.000 2.389 225 K HA 0.417 4.737 4.320 -0.000 0.000 0.261 225 K C -1.253 175.379 176.600 0.054 0.000 1.014 225 K CA -0.212 56.100 56.287 0.040 0.000 0.920 225 K CB 1.061 33.580 32.500 0.031 0.000 1.149 225 K HN 0.537 nan 8.250 nan 0.000 0.444 226 I N 1.932 122.545 120.570 0.072 0.000 2.365 226 I HA 0.299 4.469 4.170 -0.000 0.000 0.291 226 I C 0.353 176.531 176.117 0.102 0.000 1.004 226 I CA -0.375 60.992 61.300 0.111 0.000 1.311 226 I CB 1.584 39.677 38.000 0.156 0.000 1.401 226 I HN 0.486 nan 8.210 nan 0.000 0.491 227 A N 6.444 129.335 122.820 0.117 0.000 2.318 227 A HA 0.806 5.126 4.320 -0.000 0.000 0.324 227 A C -1.129 176.544 177.584 0.147 0.000 1.170 227 A CA -0.516 51.581 52.037 0.099 0.000 0.810 227 A CB 0.973 20.012 19.000 0.066 0.000 1.198 227 A HN 0.600 nan 8.150 nan 0.000 0.484 228 L N 3.650 124.939 121.223 0.109 0.000 2.324 228 L HA 0.580 4.920 4.340 -0.000 0.000 0.274 228 L C -1.212 175.702 176.870 0.073 0.000 1.012 228 L CA -0.012 54.894 54.840 0.110 0.000 0.859 228 L CB 0.515 42.609 42.059 0.057 0.000 1.224 228 L HN 0.646 nan 8.230 nan 0.000 0.429 229 L N 4.214 125.487 121.223 0.082 0.000 2.334 229 L HA 0.533 4.873 4.340 -0.000 0.000 0.276 229 L C 0.805 177.706 176.870 0.052 0.000 1.014 229 L CA -0.464 54.409 54.840 0.054 0.000 0.815 229 L CB 1.834 43.921 42.059 0.046 0.000 1.268 229 L HN 0.600 nan 8.230 nan 0.000 0.428 230 N N 0.528 119.250 118.700 0.035 0.000 2.397 230 N HA -0.022 4.718 4.740 -0.000 0.000 0.190 230 N C 0.251 175.775 175.510 0.023 0.000 1.099 230 N CA -0.158 52.909 53.050 0.029 0.000 0.876 230 N CB 0.592 39.091 38.487 0.021 0.000 1.143 230 N HN 0.580 nan 8.380 nan 0.000 0.468 231 C N 2.495 121.808 119.300 0.021 0.000 2.644 231 C HA 0.654 5.114 4.460 -0.000 0.000 0.417 231 C C 1.004 176.003 174.990 0.016 0.000 1.304 231 C CA -0.713 58.315 59.018 0.016 0.000 2.035 231 C CB -0.817 26.932 27.740 0.016 0.000 2.673 231 C HN 0.430 nan 8.230 nan 0.000 0.602 232 A N 6.621 129.447 122.820 0.011 0.000 2.462 232 A HA 0.454 4.774 4.320 -0.000 0.000 0.243 232 A C 0.254 177.842 177.584 0.006 0.000 1.076 232 A CA -0.128 51.913 52.037 0.007 0.000 0.773 232 A CB 0.059 19.060 19.000 0.002 0.000 1.010 232 A HN 0.799 nan 8.150 nan 0.000 0.493 233 I N 3.272 123.844 120.570 0.003 0.000 2.234 233 I HA 0.171 4.341 4.170 -0.000 0.000 0.287 233 I C 0.619 176.735 176.117 -0.001 0.000 1.131 233 I CA 0.432 61.735 61.300 0.005 0.000 1.335 233 I CB -1.473 36.530 38.000 0.006 0.000 1.511 233 I HN 0.887 nan 8.210 nan 0.000 0.588 234 E N 3.745 123.946 120.200 0.002 0.000 2.431 234 E HA 0.517 4.867 4.350 -0.000 0.000 0.268 234 E C -0.668 175.937 176.600 0.008 0.000 0.953 234 E CA -1.012 55.387 56.400 -0.001 0.000 0.810 234 E CB 1.973 31.669 29.700 -0.006 0.000 1.369 234 E HN -0.038 nan 8.360 nan 0.000 0.440 235 I N 2.406 122.981 120.570 0.009 0.000 2.483 235 I HA 0.081 4.251 4.170 -0.000 0.000 0.291 235 I C 0.385 176.510 176.117 0.013 0.000 1.112 235 I CA -0.155 61.155 61.300 0.016 0.000 1.350 235 I CB -0.509 37.502 38.000 0.018 0.000 1.419 235 I HN 0.411 nan 8.210 nan 0.000 0.523 236 K N 5.937 126.346 120.400 0.015 0.000 2.414 236 K HA 0.162 4.482 4.320 -0.000 0.000 0.272 236 K C 0.264 176.873 176.600 0.014 0.000 0.993 236 K CA -0.113 56.182 56.287 0.013 0.000 0.964 236 K CB 1.083 33.592 32.500 0.014 0.000 0.925 236 K HN 0.425 nan 8.250 nan 0.000 0.487 237 E N 0.942 121.148 120.200 0.009 0.000 2.288 237 E HA 0.168 4.518 4.350 -0.000 0.000 0.268 237 E C -0.425 176.180 176.600 0.008 0.000 0.885 237 E CA -0.612 55.792 56.400 0.008 0.000 0.767 237 E CB 1.771 31.472 29.700 0.002 0.000 1.220 237 E HN 0.622 nan 8.360 nan 0.000 0.427 238 T N -0.285 114.274 114.554 0.008 0.000 2.903 238 T HA 0.077 4.427 4.350 -0.000 0.000 0.314 238 T C 1.071 175.774 174.700 0.004 0.000 1.078 238 T CA -0.433 61.672 62.100 0.008 0.000 1.114 238 T CB 0.959 69.833 68.868 0.009 0.000 0.987 238 T HN 0.231 nan 8.240 nan 0.000 0.548 239 E N 0.760 120.962 120.200 0.004 0.000 2.077 239 E HA -0.055 4.295 4.350 -0.000 0.000 0.193 239 E C 1.291 177.892 176.600 0.002 0.000 0.989 239 E CA 0.977 57.379 56.400 0.003 0.000 0.800 239 E CB -0.548 29.154 29.700 0.003 0.000 0.746 239 E HN 0.805 nan 8.360 nan 0.000 0.452 240 T N 1.595 116.150 114.554 0.002 0.000 2.919 240 T HA -0.027 4.323 4.350 -0.000 0.000 0.302 240 T C -0.188 174.512 174.700 -0.000 0.000 1.031 240 T CA -0.564 61.538 62.100 0.002 0.000 1.127 240 T CB 0.585 69.455 68.868 0.003 0.000 0.952 240 T HN -0.153 nan 8.240 nan 0.000 0.540 241 D N 2.515 122.913 120.400 -0.002 0.000 2.458 241 D HA 0.426 5.066 4.640 -0.000 0.000 0.243 241 D C -0.415 175.881 176.300 -0.006 0.000 1.146 241 D CA 0.169 54.166 54.000 -0.005 0.000 0.877 241 D CB 0.519 41.315 40.800 -0.006 0.000 1.176 241 D HN 0.759 nan 8.370 nan 0.000 0.461 242 A N 3.433 126.248 122.820 -0.010 0.000 2.556 242 A HA 0.721 5.041 4.320 -0.000 0.000 0.294 242 A C -0.894 176.675 177.584 -0.026 0.000 1.091 242 A CA -0.693 51.337 52.037 -0.012 0.000 0.704 242 A CB 1.699 20.696 19.000 -0.005 0.000 1.300 242 A HN 0.588 nan 8.150 nan 0.000 0.406 243 E N 0.615 120.794 120.200 -0.035 0.000 2.381 243 E HA 0.454 4.804 4.350 -0.000 0.000 0.286 243 E C -1.818 174.732 176.600 -0.083 0.000 0.960 243 E CA -0.672 55.691 56.400 -0.062 0.000 0.793 243 E CB 1.277 30.946 29.700 -0.052 0.000 1.225 243 E HN 0.496 nan 8.360 nan 0.000 0.420 244 I N 3.299 123.773 120.570 -0.159 0.000 2.496 244 I HA 0.182 4.352 4.170 -0.000 0.000 0.285 244 I C 0.173 176.191 176.117 -0.165 0.000 1.080 244 I CA -0.028 61.126 61.300 -0.243 0.000 1.404 244 I CB 0.551 38.165 38.000 -0.644 0.000 1.403 244 I HN 0.293 nan 8.210 nan 0.000 0.539 245 R N 7.357 127.810 120.500 -0.079 0.000 2.423 245 R HA 0.443 4.783 4.340 -0.000 0.000 0.293 245 R C -0.625 175.683 176.300 0.012 0.000 1.196 245 R CA -0.570 55.511 56.100 -0.030 0.000 1.262 245 R CB 0.204 30.502 30.300 -0.003 0.000 1.116 245 R HN 0.554 nan 8.270 nan 0.000 0.566 246 I N 1.897 122.463 120.570 -0.007 0.000 2.588 246 I HA -0.001 4.169 4.170 -0.000 0.000 0.283 246 I C 1.438 177.584 176.117 0.048 0.000 1.119 246 I CA 0.562 61.897 61.300 0.058 0.000 1.419 246 I CB 1.055 39.079 38.000 0.040 0.000 1.394 246 I HN 0.524 nan 8.210 nan 0.000 0.562 247 T N -0.754 113.840 114.554 0.066 0.000 3.087 247 T HA 0.273 4.622 4.350 -0.000 0.000 0.283 247 T C 0.069 174.794 174.700 0.042 0.000 0.956 247 T CA -0.329 61.797 62.100 0.044 0.000 0.894 247 T CB 0.302 69.194 68.868 0.039 0.000 1.160 247 T HN 0.450 nan 8.240 nan 0.000 0.532 248 D N 1.374 121.806 120.400 0.054 0.000 2.857 248 D HA 0.322 4.962 4.640 -0.000 0.000 0.227 248 D C -2.326 174.005 176.300 0.051 0.000 1.192 248 D CA -1.510 52.516 54.000 0.043 0.000 0.857 248 D CB 2.768 43.589 40.800 0.035 0.000 1.645 248 D HN -0.235 nan 8.370 nan 0.000 0.482 249 P HA -0.121 nan 4.420 nan 0.000 0.218 249 P C 1.157 178.481 177.300 0.040 0.000 1.148 249 P CA 1.068 64.190 63.100 0.037 0.000 0.822 249 P CB 0.290 32.006 31.700 0.025 0.000 0.784 250 A N -0.014 122.824 122.820 0.030 0.000 1.978 250 A HA -0.236 4.084 4.320 -0.000 0.000 0.220 250 A C 2.069 179.667 177.584 0.023 0.000 1.170 250 A CA 1.655 53.702 52.037 0.018 0.000 0.636 250 A CB -0.950 18.052 19.000 0.003 0.000 0.810 250 A HN 0.195 nan 8.150 nan 0.000 0.448 251 K N -0.454 119.982 120.400 0.060 0.000 2.155 251 K HA 0.068 4.388 4.320 -0.000 0.000 0.203 251 K C 1.688 178.430 176.600 0.237 0.000 1.052 251 K CA 0.891 57.253 56.287 0.125 0.000 0.948 251 K CB -0.311 32.342 32.500 0.254 0.000 0.728 251 K HN 0.476 nan 8.250 nan 0.000 0.448 252 L N 0.411 121.730 121.223 0.160 0.000 2.127 252 L HA -0.214 4.126 4.340 -0.000 0.000 0.211 252 L C 2.385 179.330 176.870 0.125 0.000 1.089 252 L CA 0.952 55.875 54.840 0.139 0.000 0.757 252 L CB -0.311 41.794 42.059 0.077 0.000 0.899 252 L HN 0.257 nan 8.230 nan 0.000 0.434 253 M N -1.403 118.247 119.600 0.083 0.000 2.357 253 M HA -0.075 4.405 4.480 -0.000 0.000 0.266 253 M C 2.191 178.509 176.300 0.031 0.000 1.095 253 M CA 1.050 56.381 55.300 0.052 0.000 1.156 253 M CB -0.953 31.662 32.600 0.026 0.000 1.365 253 M HN 0.190 nan 8.290 nan 0.000 0.447 254 E N 0.663 120.855 120.200 -0.013 0.000 2.070 254 E HA -0.198 4.152 4.350 -0.000 0.000 0.197 254 E C 1.937 178.436 176.600 -0.169 0.000 1.004 254 E CA 1.708 58.022 56.400 -0.142 0.000 0.805 254 E CB -0.195 29.336 29.700 -0.281 0.000 0.744 254 E HN 0.455 nan 8.360 nan 0.000 0.451 255 F N 0.399 120.353 119.950 0.007 0.000 2.206 255 F HA -0.017 4.510 4.527 0.000 0.000 0.298 255 F C 2.515 178.321 175.800 0.010 0.000 1.090 255 F CA 0.573 58.577 58.000 0.007 0.000 1.323 255 F CB -0.195 38.809 39.000 0.006 0.000 1.028 255 F HN -0.016 nan 8.300 nan 0.000 0.492 256 I N -0.029 120.655 120.570 0.190 0.000 2.163 256 I HA -0.268 3.902 4.170 -0.000 0.000 0.243 256 I C 2.288 178.451 176.117 0.076 0.000 1.085 256 I CA 1.303 62.671 61.300 0.113 0.000 1.347 256 I CB -0.390 37.660 38.000 0.084 0.000 1.044 256 I HN 0.109 nan 8.210 nan 0.000 0.408 257 E N 0.198 120.428 120.200 0.050 0.000 2.150 257 E HA -0.252 4.098 4.350 -0.000 0.000 0.193 257 E C 2.022 178.634 176.600 0.021 0.000 0.985 257 E CA 0.948 57.364 56.400 0.026 0.000 0.814 257 E CB -0.189 29.513 29.700 0.003 0.000 0.752 257 E HN 0.447 nan 8.360 nan 0.000 0.466 258 Q N 1.348 121.160 119.800 0.020 0.000 2.079 258 Q HA -0.133 4.207 4.340 -0.000 0.000 0.200 258 Q C 1.673 177.703 176.000 0.050 0.000 0.974 258 Q CA 1.577 57.391 55.803 0.019 0.000 0.840 258 Q CB 0.018 28.759 28.738 0.004 0.000 0.898 258 Q HN 0.287 nan 8.270 nan 0.000 0.430 259 E N -0.409 119.837 120.200 0.076 0.000 2.152 259 E HA -0.143 4.207 4.350 -0.000 0.000 0.192 259 E C 1.843 178.480 176.600 0.061 0.000 0.983 259 E CA 0.808 57.252 56.400 0.072 0.000 0.818 259 E CB 0.095 29.842 29.700 0.079 0.000 0.758 259 E HN 0.347 nan 8.360 nan 0.000 0.467 260 E N 1.050 121.286 120.200 0.060 0.000 2.072 260 E HA -0.176 4.174 4.350 -0.000 0.000 0.191 260 E C 1.909 178.540 176.600 0.052 0.000 0.985 260 E CA 0.847 57.286 56.400 0.065 0.000 0.801 260 E CB -0.113 29.622 29.700 0.058 0.000 0.750 260 E HN 0.164 nan 8.360 nan 0.000 0.452 261 K N 0.654 121.074 120.400 0.034 0.000 2.026 261 K HA -0.110 4.210 4.320 -0.000 0.000 0.208 261 K C 2.282 178.898 176.600 0.026 0.000 1.048 261 K CA 1.362 57.661 56.287 0.020 0.000 0.929 261 K CB -0.162 32.344 32.500 0.009 0.000 0.713 261 K HN 0.040 nan 8.250 nan 0.000 0.439 262 M N 0.939 120.559 119.600 0.033 0.000 2.108 262 M HA -0.191 4.289 4.480 -0.000 0.000 0.261 262 M C 2.085 178.410 176.300 0.042 0.000 1.066 262 M CA 1.473 56.794 55.300 0.035 0.000 1.107 262 M CB -0.068 32.555 32.600 0.038 0.000 1.356 262 M HN 0.357 nan 8.290 nan 0.000 0.406 263 L N 0.094 121.351 121.223 0.056 0.000 2.027 263 L HA -0.223 4.117 4.340 -0.000 0.000 0.206 263 L C 2.248 179.176 176.870 0.096 0.000 1.074 263 L CA 1.545 56.431 54.840 0.077 0.000 0.745 263 L CB -0.303 41.814 42.059 0.096 0.000 0.898 263 L HN 0.280 nan 8.230 nan 0.000 0.433 264 K N -0.349 120.099 120.400 0.080 0.000 2.097 264 K HA -0.176 4.144 4.320 -0.000 0.000 0.206 264 K C 1.656 178.269 176.600 0.022 0.000 1.049 264 K CA 1.576 57.885 56.287 0.038 0.000 0.933 264 K CB -0.162 32.329 32.500 -0.015 0.000 0.717 264 K HN 0.356 nan 8.250 nan 0.000 0.442 265 D N 0.529 120.942 120.400 0.022 0.000 2.144 265 D HA -0.127 4.513 4.640 -0.000 0.000 0.199 265 D C 1.937 178.250 176.300 0.022 0.000 0.984 265 D CA 0.996 55.005 54.000 0.015 0.000 0.834 265 D CB 0.003 40.812 40.800 0.014 0.000 0.955 265 D HN 0.069 nan 8.370 nan 0.000 0.465 266 M N 0.375 119.994 119.600 0.032 0.000 2.084 266 M HA -0.139 4.341 4.480 -0.000 0.000 0.259 266 M C 2.455 178.777 176.300 0.038 0.000 1.072 266 M CA 0.946 56.266 55.300 0.034 0.000 1.107 266 M CB -1.093 31.530 32.600 0.039 0.000 1.299 266 M HN -0.071 nan 8.290 nan 0.000 0.413 267 V N 0.597 120.544 119.914 0.055 0.000 2.287 267 V HA -0.261 3.859 4.120 -0.000 0.000 0.248 267 V C 2.734 178.851 176.094 0.038 0.000 1.053 267 V CA 1.945 64.284 62.300 0.064 0.000 1.027 267 V CB -1.461 30.436 31.823 0.124 0.000 0.646 267 V HN 0.543 nan 8.190 nan 0.000 0.447 268 A N -0.153 122.680 122.820 0.022 0.000 1.940 268 A HA -0.286 4.034 4.320 -0.000 0.000 0.219 268 A C 2.192 179.781 177.584 0.009 0.000 1.176 268 A CA 2.187 54.227 52.037 0.005 0.000 0.631 268 A CB -0.528 18.468 19.000 -0.007 0.000 0.814 268 A HN 0.570 nan 8.150 nan 0.000 0.446 269 E N 0.268 120.476 120.200 0.014 0.000 2.077 269 E HA -0.130 4.220 4.350 -0.000 0.000 0.193 269 E C 1.696 178.305 176.600 0.017 0.000 0.989 269 E CA 1.380 57.789 56.400 0.014 0.000 0.800 269 E CB -0.394 29.316 29.700 0.016 0.000 0.746 269 E HN 0.657 nan 8.360 nan 0.000 0.452 270 I N 0.615 121.198 120.570 0.021 0.000 2.142 270 I HA -0.277 3.893 4.170 -0.000 0.000 0.240 270 I C 2.618 178.747 176.117 0.020 0.000 1.078 270 I CA 1.288 62.601 61.300 0.022 0.000 1.343 270 I CB -0.444 37.571 38.000 0.025 0.000 1.046 270 I HN 0.102 nan 8.210 nan 0.000 0.405 271 K N 1.678 122.089 120.400 0.018 0.000 2.063 271 K HA -0.196 4.124 4.320 -0.000 0.000 0.208 271 K C 2.126 178.733 176.600 0.011 0.000 1.048 271 K CA 1.804 58.100 56.287 0.015 0.000 0.928 271 K CB -0.238 32.269 32.500 0.011 0.000 0.713 271 K HN 0.317 nan 8.250 nan 0.000 0.442 272 A N 0.507 123.333 122.820 0.010 0.000 2.024 272 A HA -0.149 4.171 4.320 -0.000 0.000 0.220 272 A C 2.239 179.829 177.584 0.010 0.000 1.164 272 A CA 2.163 54.205 52.037 0.008 0.000 0.643 272 A CB -0.652 18.352 19.000 0.007 0.000 0.806 272 A HN 0.440 nan 8.150 nan 0.000 0.451 273 S N -1.966 113.742 115.700 0.014 0.000 2.453 273 S HA 0.216 4.686 4.470 -0.000 0.000 0.231 273 S C 1.483 176.093 174.600 0.016 0.000 1.005 273 S CA 1.626 59.835 58.200 0.016 0.000 0.949 273 S CB -0.321 62.890 63.200 0.019 0.000 0.774 273 S HN 1.818 nan 8.310 nan 0.000 0.510 274 G N -0.011 108.798 108.800 0.015 0.000 2.176 274 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.232 274 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.232 274 G C 0.151 175.063 174.900 0.019 0.000 0.986 274 G CA 0.112 45.221 45.100 0.016 0.000 0.643 274 G HN 1.018 nan 8.290 nan 0.000 0.522 275 A N 0.048 122.881 122.820 0.022 0.000 2.477 275 A HA 0.600 4.920 4.320 -0.000 0.000 0.246 275 A C 1.080 178.676 177.584 0.020 0.000 1.078 275 A CA 0.776 52.828 52.037 0.026 0.000 0.770 275 A CB 0.183 19.201 19.000 0.030 0.000 1.011 275 A HN 0.378 nan 8.150 nan 0.000 0.494 276 N N 0.484 119.197 118.700 0.021 0.000 2.159 276 N HA 0.167 4.907 4.740 -0.000 0.000 0.217 276 N C -0.882 174.630 175.510 0.002 0.000 1.223 276 N CA 0.369 53.427 53.050 0.013 0.000 0.896 276 N CB 1.238 39.735 38.487 0.016 0.000 1.064 276 N HN 0.360 nan 8.380 nan 0.000 0.518 277 V N 1.888 121.806 119.914 0.008 0.000 2.709 277 V HA 0.510 4.630 4.120 -0.000 0.000 0.308 277 V C -1.078 175.005 176.094 -0.019 0.000 1.062 277 V CA -0.908 61.377 62.300 -0.024 0.000 0.901 277 V CB 2.697 34.542 31.823 0.036 0.000 1.003 277 V HN -0.032 nan 8.190 nan 0.000 0.425 278 L N 4.560 125.705 121.223 -0.130 0.000 2.470 278 L HA 0.726 5.066 4.340 -0.000 0.000 0.268 278 L C -1.729 174.998 176.870 -0.238 0.000 0.964 278 L CA -0.045 54.750 54.840 -0.075 0.000 0.839 278 L CB 1.768 43.802 42.059 -0.040 0.000 1.276 278 L HN 0.476 nan 8.230 nan 0.000 0.403 279 F N 4.864 124.818 119.950 0.006 0.000 2.388 279 F HA 0.525 5.052 4.527 -0.000 0.000 0.358 279 F C 0.206 176.007 175.800 0.001 0.000 1.122 279 F CA -0.240 57.761 58.000 0.002 0.000 1.056 279 F CB 1.436 40.436 39.000 0.001 0.000 1.155 279 F HN 0.575 nan 8.300 nan 0.000 0.461 280 C N 4.695 124.066 119.300 0.118 0.000 2.376 280 C HA 0.287 4.747 4.460 -0.000 0.000 0.335 280 C C 1.502 176.539 174.990 0.079 0.000 1.229 280 C CA -0.377 58.687 59.018 0.075 0.000 1.867 280 C CB 1.183 28.938 27.740 0.024 0.000 2.319 280 C HN 0.946 nan 8.230 nan 0.000 0.515 281 Q N 2.834 122.670 119.800 0.059 0.000 2.062 281 Q HA 0.007 4.347 4.340 -0.000 0.000 0.196 281 Q C 1.107 177.125 176.000 0.030 0.000 0.967 281 Q CA 1.481 57.312 55.803 0.046 0.000 0.832 281 Q CB 0.132 28.889 28.738 0.033 0.000 0.899 281 Q HN 0.696 nan 8.270 nan 0.000 0.442 282 K N -0.293 120.119 120.400 0.021 0.000 2.894 282 K HA 0.301 4.621 4.320 -0.000 0.000 0.325 282 K C 0.584 177.186 176.600 0.004 0.000 0.984 282 K CA 0.213 56.506 56.287 0.010 0.000 1.266 282 K CB -0.895 31.609 32.500 0.006 0.000 1.423 282 K HN 0.170 nan 8.250 nan 0.000 0.614 283 G N 0.231 109.027 108.800 -0.005 0.000 2.504 283 G HA2 0.552 4.512 3.960 -0.000 0.000 0.288 283 G HA3 0.552 4.512 3.960 -0.000 0.000 0.288 283 G C -0.557 174.328 174.900 -0.025 0.000 1.182 283 G CA -0.582 44.508 45.100 -0.016 0.000 0.894 283 G HN 0.300 nan 8.290 nan 0.000 0.521 284 I N 1.132 121.678 120.570 -0.040 0.000 2.439 284 I HA 0.148 4.318 4.170 -0.000 0.000 0.283 284 I C -0.343 175.722 176.117 -0.085 0.000 1.023 284 I CA -0.738 60.527 61.300 -0.059 0.000 1.100 284 I CB 1.803 39.766 38.000 -0.062 0.000 1.238 284 I HN 0.450 nan 8.210 nan 0.000 0.445 285 D N 5.011 125.353 120.400 -0.097 0.000 2.449 285 D HA -0.082 4.558 4.640 -0.000 0.000 0.236 285 D C 0.638 176.810 176.300 -0.213 0.000 1.149 285 D CA 0.279 54.201 54.000 -0.130 0.000 0.878 285 D CB 1.277 42.005 40.800 -0.120 0.000 1.198 285 D HN 0.476 nan 8.370 nan 0.000 0.446 286 D N 2.478 122.728 120.400 -0.250 0.000 2.133 286 D HA -0.183 4.457 4.640 -0.000 0.000 0.195 286 D C 1.757 177.560 176.300 -0.828 0.000 0.997 286 D CA 0.687 54.433 54.000 -0.424 0.000 0.840 286 D CB -0.103 40.505 40.800 -0.319 0.000 0.947 286 D HN 0.339 nan 8.370 nan 0.000 0.452 287 L N 0.808 121.649 121.223 -0.637 0.000 2.042 287 L HA -0.110 4.230 4.340 -0.000 0.000 0.210 287 L C 2.134 178.533 176.870 -0.784 0.000 1.076 287 L CA 1.752 56.165 54.840 -0.713 0.000 0.749 287 L CB -0.753 41.041 42.059 -0.443 0.000 0.893 287 L HN -0.010 nan 8.230 nan 0.000 0.432 288 A N -1.254 121.280 122.820 -0.477 0.000 1.902 288 A HA -0.264 4.056 4.320 -0.000 0.000 0.217 288 A C 2.161 179.628 177.584 -0.195 0.000 1.181 288 A CA 1.796 53.666 52.037 -0.278 0.000 0.623 288 A CB -0.554 18.362 19.000 -0.140 0.000 0.818 288 A HN 0.656 nan 8.150 nan 0.000 0.443 289 Q N -0.999 118.661 119.800 -0.233 0.000 2.096 289 Q HA -0.227 4.113 4.340 -0.000 0.000 0.204 289 Q C 1.913 177.911 176.000 -0.003 0.000 0.982 289 Q CA 1.837 57.569 55.803 -0.119 0.000 0.850 289 Q CB -0.412 28.250 28.738 -0.126 0.000 0.901 289 Q HN 0.897 nan 8.270 nan 0.000 0.422 290 H N -1.106 117.886 119.070 -0.130 0.000 2.321 290 H HA -0.160 4.396 4.556 -0.000 0.000 0.300 290 H C 1.722 177.102 175.328 0.087 0.000 1.087 290 H CA 1.103 57.109 56.048 -0.069 0.000 1.319 290 H CB 0.067 29.741 29.762 -0.146 0.000 1.379 290 H HN 0.252 nan 8.280 nan 0.000 0.501 291 Y N 0.774 121.142 120.300 0.114 0.000 2.200 291 Y HA -0.137 4.413 4.550 0.000 0.000 0.290 291 Y C 2.549 178.468 175.900 0.032 0.000 1.137 291 Y CA 0.489 58.623 58.100 0.056 0.000 1.163 291 Y CB -0.883 37.598 38.460 0.034 0.000 0.988 291 Y HN 0.140 nan 8.280 nan 0.000 0.518 292 L N -0.524 120.803 121.223 0.174 0.000 2.042 292 L HA -0.268 4.072 4.340 -0.000 0.000 0.210 292 L C 2.663 179.572 176.870 0.066 0.000 1.076 292 L CA 1.387 56.278 54.840 0.084 0.000 0.749 292 L CB -0.872 41.205 42.059 0.030 0.000 0.893 292 L HN 0.194 nan 8.230 nan 0.000 0.432 293 A N -0.044 122.822 122.820 0.078 0.000 1.898 293 A HA -0.208 4.112 4.320 -0.000 0.000 0.216 293 A C 2.310 179.932 177.584 0.062 0.000 1.181 293 A CA 1.625 53.699 52.037 0.061 0.000 0.620 293 A CB -0.348 18.694 19.000 0.070 0.000 0.819 293 A HN 0.312 nan 8.150 nan 0.000 0.442 294 K N -0.290 120.166 120.400 0.093 0.000 2.209 294 K HA -0.087 4.233 4.320 -0.000 0.000 0.204 294 K C 1.208 177.836 176.600 0.047 0.000 1.048 294 K CA 1.175 57.505 56.287 0.072 0.000 0.940 294 K CB -0.009 32.551 32.500 0.100 0.000 0.729 294 K HN 0.400 nan 8.250 nan 0.000 0.451 295 E N -0.305 119.927 120.200 0.053 0.000 2.489 295 E HA 0.008 4.358 4.350 -0.000 0.000 0.193 295 E C 0.847 177.462 176.600 0.024 0.000 1.057 295 E CA 0.420 56.840 56.400 0.032 0.000 0.866 295 E CB 0.480 30.202 29.700 0.036 0.000 0.916 295 E HN 0.456 nan 8.360 nan 0.000 0.500 296 G N 2.125 110.939 108.800 0.025 0.000 2.225 296 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.267 296 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.267 296 G C 0.306 175.212 174.900 0.011 0.000 1.024 296 G CA 0.302 45.411 45.100 0.016 0.000 0.784 296 G HN 0.286 nan 8.290 nan 0.000 0.507 297 I N 0.240 120.817 120.570 0.012 0.000 2.395 297 I HA 0.341 4.511 4.170 -0.000 0.000 0.289 297 I C 0.779 176.884 176.117 -0.020 0.000 1.023 297 I CA -0.872 60.427 61.300 -0.001 0.000 1.350 297 I CB 1.558 39.561 38.000 0.004 0.000 1.409 297 I HN -0.125 nan 8.210 nan 0.000 0.507 298 V N 5.987 125.875 119.914 -0.043 0.000 2.465 298 V HA 0.668 4.788 4.120 -0.000 0.000 0.279 298 V C 0.347 176.350 176.094 -0.151 0.000 1.045 298 V CA -0.279 61.973 62.300 -0.080 0.000 0.938 298 V CB 1.270 33.047 31.823 -0.077 0.000 0.986 298 V HN 0.872 nan 8.190 nan 0.000 0.467 299 A N 4.008 126.727 122.820 -0.168 0.000 2.435 299 A HA 0.986 5.306 4.320 -0.000 0.000 0.304 299 A C -0.545 176.883 177.584 -0.260 0.000 1.064 299 A CA -0.358 51.546 52.037 -0.222 0.000 0.727 299 A CB 1.950 20.875 19.000 -0.124 0.000 1.284 299 A HN 1.354 nan 8.150 nan 0.000 0.415 300 A N 1.481 124.099 122.820 -0.336 0.000 2.393 300 A HA 0.796 5.116 4.320 -0.000 0.000 0.306 300 A C -0.121 177.414 177.584 -0.082 0.000 1.050 300 A CA -0.647 51.259 52.037 -0.218 0.000 0.724 300 A CB 1.008 19.824 19.000 -0.307 0.000 1.248 300 A HN 1.258 nan 8.150 nan 0.000 0.424 301 R N 1.479 121.960 120.500 -0.031 0.000 2.875 301 R HA 0.735 5.075 4.340 -0.000 0.000 0.251 301 R C -0.472 175.841 176.300 0.022 0.000 1.123 301 R CA -0.808 55.289 56.100 -0.004 0.000 1.064 301 R CB 0.491 30.778 30.300 -0.022 0.000 1.205 301 R HN 0.489 nan 8.270 nan 0.000 0.503 302 R N -0.552 119.959 120.500 0.019 0.000 3.405 302 R HA -0.109 4.231 4.340 -0.000 0.000 0.258 302 R C -0.670 175.650 176.300 0.035 0.000 1.030 302 R CA 0.564 56.676 56.100 0.020 0.000 0.691 302 R CB -2.545 27.761 30.300 0.010 0.000 1.093 302 R HN 0.509 nan 8.270 nan 0.000 0.448 303 V N 1.045 120.992 119.914 0.055 0.000 2.686 303 V HA 0.085 4.205 4.120 -0.000 0.000 0.295 303 V C 1.469 177.584 176.094 0.035 0.000 1.055 303 V CA -0.309 62.030 62.300 0.066 0.000 1.050 303 V CB 1.397 33.287 31.823 0.112 0.000 0.984 303 V HN 0.175 nan 8.190 nan 0.000 0.482 304 K N 3.367 123.780 120.400 0.022 0.000 2.414 304 K HA 0.023 4.343 4.320 -0.000 0.000 0.272 304 K C 1.346 177.948 176.600 0.004 0.000 0.993 304 K CA -0.242 56.050 56.287 0.009 0.000 0.964 304 K CB 0.365 32.866 32.500 0.001 0.000 0.925 304 K HN 0.619 nan 8.250 nan 0.000 0.487 305 K N 1.851 122.252 120.400 0.003 0.000 2.057 305 K HA -0.119 4.201 4.320 -0.000 0.000 0.207 305 K C 1.530 178.125 176.600 -0.008 0.000 1.049 305 K CA 1.809 58.096 56.287 -0.000 0.000 0.931 305 K CB -0.130 32.370 32.500 0.001 0.000 0.714 305 K HN 0.600 nan 8.250 nan 0.000 0.440 306 S N 1.516 117.210 115.700 -0.010 0.000 2.399 306 S HA -0.115 4.355 4.470 -0.000 0.000 0.231 306 S C 1.340 175.924 174.600 -0.026 0.000 1.022 306 S CA 1.344 59.535 58.200 -0.016 0.000 0.983 306 S CB -0.185 63.007 63.200 -0.014 0.000 0.803 306 S HN 0.343 nan 8.310 nan 0.000 0.480 307 D N 1.120 121.504 120.400 -0.027 0.000 2.144 307 D HA 0.013 4.653 4.640 -0.000 0.000 0.200 307 D C 1.865 178.125 176.300 -0.066 0.000 0.978 307 D CA 0.726 54.698 54.000 -0.046 0.000 0.833 307 D CB -0.188 40.591 40.800 -0.035 0.000 0.961 307 D HN 0.242 nan 8.370 nan 0.000 0.470 308 M N 0.542 120.117 119.600 -0.042 0.000 2.149 308 M HA -0.118 4.362 4.480 -0.000 0.000 0.261 308 M C 1.878 178.147 176.300 -0.052 0.000 1.064 308 M CA 1.298 56.572 55.300 -0.042 0.000 1.102 308 M CB -0.813 31.783 32.600 -0.008 0.000 1.369 308 M HN 0.121 nan 8.290 nan 0.000 0.408 309 E N -0.200 119.976 120.200 -0.040 0.000 2.107 309 E HA -0.131 4.219 4.350 -0.000 0.000 0.191 309 E C 2.069 178.640 176.600 -0.048 0.000 0.982 309 E CA 0.786 57.164 56.400 -0.036 0.000 0.809 309 E CB 0.016 29.701 29.700 -0.025 0.000 0.756 309 E HN 0.492 nan 8.360 nan 0.000 0.459 310 K N 0.575 120.940 120.400 -0.058 0.000 2.097 310 K HA -0.070 4.250 4.320 -0.000 0.000 0.205 310 K C 2.146 178.690 176.600 -0.094 0.000 1.050 310 K CA 0.706 56.954 56.287 -0.066 0.000 0.938 310 K CB -0.010 32.452 32.500 -0.065 0.000 0.718 310 K HN 0.112 nan 8.250 nan 0.000 0.442 311 L N 0.324 121.467 121.223 -0.134 0.000 2.093 311 L HA -0.160 4.180 4.340 -0.000 0.000 0.208 311 L C 2.525 179.309 176.870 -0.142 0.000 1.085 311 L CA 0.923 55.641 54.840 -0.203 0.000 0.755 311 L CB -0.478 41.382 42.059 -0.332 0.000 0.904 311 L HN 0.194 nan 8.230 nan 0.000 0.435 312 A N 0.223 122.987 122.820 -0.093 0.000 1.873 312 A HA -0.205 4.115 4.320 -0.000 0.000 0.215 312 A C 2.319 179.878 177.584 -0.042 0.000 1.186 312 A CA 1.565 53.569 52.037 -0.054 0.000 0.616 312 A CB -0.304 18.675 19.000 -0.035 0.000 0.823 312 A HN 0.280 nan 8.150 nan 0.000 0.442 313 K N -0.252 120.123 120.400 -0.042 0.000 2.009 313 K HA -0.097 4.223 4.320 -0.000 0.000 0.210 313 K C 2.388 178.969 176.600 -0.030 0.000 1.049 313 K CA 1.283 57.552 56.287 -0.030 0.000 0.929 313 K CB -0.371 32.111 32.500 -0.029 0.000 0.714 313 K HN 0.436 nan 8.250 nan 0.000 0.440 314 A N 0.888 123.680 122.820 -0.047 0.000 1.832 314 A HA -0.142 4.178 4.320 -0.000 0.000 0.214 314 A C 2.291 179.854 177.584 -0.036 0.000 1.200 314 A CA 2.132 54.142 52.037 -0.044 0.000 0.610 314 A CB -1.091 17.869 19.000 -0.067 0.000 0.842 314 A HN 0.268 nan 8.150 nan 0.000 0.444 315 T N -0.871 113.650 114.554 -0.055 0.000 2.951 315 T HA 0.283 4.633 4.350 -0.000 0.000 0.268 315 T C 1.321 176.014 174.700 -0.012 0.000 1.073 315 T CA 1.465 63.543 62.100 -0.037 0.000 1.134 315 T CB -0.355 68.478 68.868 -0.059 0.000 0.884 315 T HN 1.637 nan 8.240 nan 0.000 0.479 316 G N 1.419 110.210 108.800 -0.015 0.000 2.182 316 G HA2 -0.010 3.950 3.960 -0.000 0.000 0.248 316 G HA3 -0.010 3.950 3.960 -0.000 0.000 0.248 316 G C 0.044 174.946 174.900 0.003 0.000 1.042 316 G CA -0.133 44.967 45.100 -0.001 0.000 0.775 316 G HN 0.876 nan 8.290 nan 0.000 0.501 317 A N -0.424 122.394 122.820 -0.004 0.000 2.303 317 A HA 0.758 5.078 4.320 -0.000 0.000 0.317 317 A C 0.184 177.771 177.584 0.004 0.000 1.149 317 A CA -0.234 51.807 52.037 0.008 0.000 0.822 317 A CB 0.905 19.914 19.000 0.015 0.000 1.131 317 A HN 0.719 nan 8.150 nan 0.000 0.493 318 N N 1.511 120.218 118.700 0.012 0.000 2.425 318 N HA 0.357 5.097 4.740 -0.000 0.000 0.268 318 N C -0.806 174.713 175.510 0.014 0.000 0.991 318 N CA -0.278 52.778 53.050 0.010 0.000 0.931 318 N CB 1.168 39.662 38.487 0.011 0.000 1.130 318 N HN 0.289 nan 8.380 nan 0.000 0.493 319 V N 4.879 124.799 119.914 0.010 0.000 2.485 319 V HA 0.134 4.253 4.120 -0.000 0.000 0.287 319 V C 0.455 176.558 176.094 0.015 0.000 1.022 319 V CA 0.004 62.312 62.300 0.014 0.000 1.067 319 V CB -0.124 31.704 31.823 0.008 0.000 0.967 319 V HN 0.529 nan 8.190 nan 0.000 0.479 320 I N 4.788 125.369 120.570 0.019 0.000 2.530 320 I HA 0.334 4.504 4.170 -0.000 0.000 0.297 320 I C 1.278 177.406 176.117 0.017 0.000 1.011 320 I CA -0.231 61.080 61.300 0.017 0.000 1.107 320 I CB 2.024 40.035 38.000 0.019 0.000 1.285 320 I HN 0.773 nan 8.210 nan 0.000 0.436 321 T N 1.936 116.499 114.554 0.014 0.000 2.755 321 T HA 0.036 4.386 4.350 -0.000 0.000 0.251 321 T C 0.830 175.538 174.700 0.014 0.000 1.044 321 T CA 0.415 62.523 62.100 0.013 0.000 1.154 321 T CB -0.098 68.776 68.868 0.011 0.000 0.866 321 T HN 0.441 nan 8.240 nan 0.000 0.416 322 N N 0.841 119.549 118.700 0.013 0.000 2.438 322 N HA 0.259 4.999 4.740 -0.000 0.000 0.282 322 N C 0.664 176.183 175.510 0.015 0.000 1.037 322 N CA -0.719 52.339 53.050 0.014 0.000 0.942 322 N CB 1.370 39.864 38.487 0.012 0.000 1.136 322 N HN 0.174 nan 8.380 nan 0.000 0.481 323 I N 3.675 124.255 120.570 0.016 0.000 2.335 323 I HA -0.215 3.955 4.170 -0.000 0.000 0.251 323 I C 1.817 177.944 176.117 0.015 0.000 1.129 323 I CA 1.458 62.769 61.300 0.017 0.000 1.402 323 I CB 0.051 38.062 38.000 0.018 0.000 1.069 323 I HN 0.489 nan 8.210 nan 0.000 0.424 324 K N 0.348 120.756 120.400 0.013 0.000 2.152 324 K HA -0.176 4.144 4.320 -0.000 0.000 0.206 324 K C 1.628 178.235 176.600 0.011 0.000 1.048 324 K CA 1.525 57.819 56.287 0.012 0.000 0.933 324 K CB -0.572 31.934 32.500 0.011 0.000 0.721 324 K HN 0.426 nan 8.250 nan 0.000 0.447 325 D N 0.374 120.781 120.400 0.012 0.000 2.289 325 D HA -0.042 4.598 4.640 -0.000 0.000 0.207 325 D C 0.594 176.902 176.300 0.013 0.000 0.966 325 D CA -0.059 53.948 54.000 0.011 0.000 0.868 325 D CB -0.163 40.644 40.800 0.011 0.000 0.943 325 D HN -0.021 nan 8.370 nan 0.000 0.514 326 L N 1.337 122.569 121.223 0.015 0.000 2.559 326 L HA 0.031 4.371 4.340 -0.000 0.000 0.282 326 L C 0.376 177.255 176.870 0.015 0.000 1.232 326 L CA 0.399 55.249 54.840 0.017 0.000 0.885 326 L CB 0.274 42.345 42.059 0.019 0.000 1.131 326 L HN -0.002 nan 8.230 nan 0.000 0.498 327 S N 2.821 118.530 115.700 0.015 0.000 2.651 327 S HA 0.760 5.230 4.470 -0.000 0.000 0.279 327 S C 0.608 175.217 174.600 0.016 0.000 1.148 327 S CA -0.389 57.819 58.200 0.014 0.000 0.837 327 S CB 1.132 64.339 63.200 0.012 0.000 1.138 327 S HN 0.839 nan 8.310 nan 0.000 0.478 328 A N 0.599 123.428 122.820 0.015 0.000 1.978 328 A HA -0.083 4.237 4.320 -0.000 0.000 0.220 328 A C 1.985 179.579 177.584 0.017 0.000 1.170 328 A CA 1.415 53.462 52.037 0.016 0.000 0.636 328 A CB -0.907 18.102 19.000 0.014 0.000 0.810 328 A HN 0.730 nan 8.150 nan 0.000 0.448 329 Q N 0.155 119.964 119.800 0.015 0.000 2.364 329 Q HA -0.123 4.217 4.340 -0.000 0.000 0.207 329 Q C 0.614 176.624 176.000 0.016 0.000 0.970 329 Q CA 1.189 57.001 55.803 0.015 0.000 0.888 329 Q CB -0.269 28.477 28.738 0.012 0.000 0.951 329 Q HN 0.684 nan 8.270 nan 0.000 0.469 330 D N -0.261 120.149 120.400 0.017 0.000 2.354 330 D HA 0.065 4.705 4.640 -0.000 0.000 0.209 330 D C 0.591 176.905 176.300 0.023 0.000 1.015 330 D CA 0.037 54.048 54.000 0.018 0.000 0.867 330 D CB 0.574 41.385 40.800 0.019 0.000 0.933 330 D HN 0.200 nan 8.370 nan 0.000 0.520 331 L N 0.907 122.144 121.223 0.025 0.000 2.461 331 L HA 0.286 4.626 4.340 -0.000 0.000 0.272 331 L C 1.216 178.103 176.870 0.028 0.000 1.197 331 L CA -0.170 54.688 54.840 0.030 0.000 0.836 331 L CB 0.835 42.912 42.059 0.029 0.000 1.105 331 L HN -0.092 nan 8.230 nan 0.000 0.477 332 G N 1.000 109.820 108.800 0.034 0.000 2.509 332 G HA2 0.484 4.444 3.960 -0.000 0.000 0.328 332 G HA3 0.484 4.444 3.960 -0.000 0.000 0.328 332 G C -1.359 173.561 174.900 0.033 0.000 1.194 332 G CA -0.482 44.636 45.100 0.029 0.000 0.967 332 G HN 0.536 nan 8.290 nan 0.000 0.488 333 D N -0.187 120.229 120.400 0.027 0.000 2.498 333 D HA 0.597 5.237 4.640 -0.000 0.000 0.247 333 D C -0.459 175.856 176.300 0.026 0.000 1.070 333 D CA -0.026 53.990 54.000 0.027 0.000 0.842 333 D CB 2.152 42.964 40.800 0.020 0.000 1.361 333 D HN 0.573 nan 8.370 nan 0.000 0.484 334 A N 0.531 123.370 122.820 0.032 0.000 2.398 334 A HA 0.609 4.929 4.320 -0.000 0.000 0.301 334 A C 0.949 178.550 177.584 0.029 0.000 1.041 334 A CA -0.540 51.518 52.037 0.034 0.000 0.711 334 A CB 1.647 20.679 19.000 0.054 0.000 1.240 334 A HN 0.521 nan 8.150 nan 0.000 0.420 335 G N 0.470 109.282 108.800 0.019 0.000 2.443 335 G HA2 0.313 4.273 3.960 -0.000 0.000 0.219 335 G HA3 0.313 4.273 3.960 -0.000 0.000 0.219 335 G C 0.223 175.137 174.900 0.023 0.000 1.131 335 G CA 1.530 46.638 45.100 0.013 0.000 0.775 335 G HN 1.109 nan 8.290 nan 0.000 0.547 336 L N -0.315 120.931 121.223 0.039 0.000 2.549 336 L HA 0.596 4.936 4.340 -0.000 0.000 0.259 336 L C -1.531 175.385 176.870 0.077 0.000 0.934 336 L CA -0.734 54.135 54.840 0.048 0.000 0.865 336 L CB 2.450 44.532 42.059 0.038 0.000 1.352 336 L HN -0.160 nan 8.230 nan 0.000 0.410 337 V N 4.132 124.092 119.914 0.078 0.000 2.443 337 V HA 0.695 4.815 4.120 -0.000 0.000 0.293 337 V C -0.614 175.536 176.094 0.094 0.000 1.021 337 V CA -0.421 61.942 62.300 0.104 0.000 0.848 337 V CB 1.536 33.419 31.823 0.101 0.000 0.998 337 V HN 0.820 nan 8.190 nan 0.000 0.424 338 E N 3.114 123.392 120.200 0.130 0.000 2.343 338 E HA 0.407 4.757 4.350 -0.000 0.000 0.278 338 E C -1.139 175.558 176.600 0.161 0.000 0.910 338 E CA -0.685 55.777 56.400 0.103 0.000 0.757 338 E CB 2.356 32.085 29.700 0.048 0.000 1.218 338 E HN 0.743 nan 8.360 nan 0.000 0.435 339 E N 3.940 124.205 120.200 0.109 0.000 2.194 339 E HA 0.241 4.591 4.350 -0.000 0.000 0.284 339 E C -0.883 175.777 176.600 0.099 0.000 1.035 339 E CA -0.233 56.241 56.400 0.124 0.000 0.836 339 E CB 0.716 30.460 29.700 0.075 0.000 1.070 339 E HN 0.329 nan 8.360 nan 0.000 0.401 340 R N 3.446 124.050 120.500 0.172 0.000 2.740 340 R HA 0.356 4.696 4.340 -0.000 0.000 0.282 340 R C -1.018 175.365 176.300 0.137 0.000 0.969 340 R CA -1.109 55.038 56.100 0.077 0.000 0.918 340 R CB 1.537 31.740 30.300 -0.162 0.000 1.175 340 R HN 0.256 nan 8.270 nan 0.000 0.464 341 K N 2.143 122.583 120.400 0.067 0.000 2.227 341 K HA 0.389 4.709 4.320 -0.000 0.000 0.280 341 K C -0.526 176.121 176.600 0.077 0.000 1.041 341 K CA -0.119 56.211 56.287 0.071 0.000 0.905 341 K CB 0.834 33.357 32.500 0.039 0.000 1.068 341 K HN 0.311 nan 8.250 nan 0.000 0.470 342 I N 2.284 122.915 120.570 0.103 0.000 2.439 342 I HA 0.144 4.314 4.170 -0.000 0.000 0.283 342 I C 0.194 176.350 176.117 0.065 0.000 1.023 342 I CA -0.361 60.998 61.300 0.098 0.000 1.100 342 I CB 1.180 39.275 38.000 0.158 0.000 1.238 342 I HN 0.723 nan 8.210 nan 0.000 0.445 343 S N 4.576 120.304 115.700 0.046 0.000 3.682 343 S HA -0.218 4.252 4.470 -0.000 0.000 0.354 343 S C 1.406 176.025 174.600 0.031 0.000 1.034 343 S CA 1.621 59.842 58.200 0.034 0.000 1.084 343 S CB -1.038 62.181 63.200 0.033 0.000 0.903 343 S HN 1.580 nan 8.310 nan 0.000 0.470 344 G N 0.133 108.952 108.800 0.031 0.000 2.550 344 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.233 344 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.233 344 G C -0.204 174.716 174.900 0.034 0.000 1.170 344 G CA 0.367 45.484 45.100 0.028 0.000 0.693 344 G HN 0.723 nan 8.290 nan 0.000 0.512 345 D N 1.853 122.276 120.400 0.038 0.000 2.443 345 D HA 0.459 5.099 4.640 -0.000 0.000 0.239 345 D C 1.022 177.356 176.300 0.056 0.000 1.136 345 D CA 0.873 54.897 54.000 0.040 0.000 0.879 345 D CB 1.262 42.082 40.800 0.034 0.000 1.195 345 D HN 0.709 nan 8.370 nan 0.000 0.443 346 S N 1.946 117.676 115.700 0.051 0.000 2.523 346 S HA 0.616 5.086 4.470 -0.000 0.000 0.275 346 S C 0.023 174.664 174.600 0.069 0.000 1.281 346 S CA -0.716 57.524 58.200 0.067 0.000 1.050 346 S CB 0.767 63.998 63.200 0.051 0.000 0.937 346 S HN 0.384 nan 8.310 nan 0.000 0.492 347 M N 2.708 122.374 119.600 0.110 0.000 2.575 347 M HA 0.502 4.982 4.480 -0.000 0.000 0.284 347 M C -1.301 175.070 176.300 0.119 0.000 1.253 347 M CA -0.869 54.470 55.300 0.065 0.000 0.861 347 M CB 1.968 34.570 32.600 0.003 0.000 1.733 347 M HN 0.432 nan 8.290 nan 0.000 0.462 348 I N 1.676 122.255 120.570 0.014 0.000 2.412 348 I HA 0.459 4.629 4.170 -0.000 0.000 0.296 348 I C -1.105 174.975 176.117 -0.061 0.000 0.987 348 I CA -0.364 60.989 61.300 0.087 0.000 1.180 348 I CB 0.987 39.046 38.000 0.098 0.000 1.340 348 I HN 0.530 nan 8.210 nan 0.000 0.455 349 F N 4.770 124.747 119.950 0.046 0.000 2.426 349 F HA 0.418 4.945 4.527 0.000 0.000 0.348 349 F C 0.214 176.039 175.800 0.042 0.000 1.124 349 F CA -0.767 57.255 58.000 0.036 0.000 1.008 349 F CB 1.793 40.807 39.000 0.024 0.000 1.139 349 F HN -0.006 nan 8.300 nan 0.000 0.452 350 V N 3.992 123.994 119.914 0.147 0.000 2.257 350 V HA 0.340 4.460 4.120 -0.000 0.000 0.269 350 V C -0.484 175.668 176.094 0.098 0.000 1.040 350 V CA -0.577 61.787 62.300 0.107 0.000 0.813 350 V CB 0.425 32.280 31.823 0.054 0.000 1.065 350 V HN 0.795 nan 8.190 nan 0.000 0.457 351 E N 3.023 123.290 120.200 0.111 0.000 2.369 351 E HA 0.716 5.066 4.350 -0.000 0.000 0.270 351 E C -0.651 175.978 176.600 0.049 0.000 0.909 351 E CA -0.839 55.615 56.400 0.089 0.000 0.775 351 E CB 1.971 31.745 29.700 0.122 0.000 1.270 351 E HN 0.198 nan 8.360 nan 0.000 0.445 352 E N -0.765 119.451 120.200 0.027 0.000 3.169 352 E HA -0.130 4.220 4.350 -0.000 0.000 0.305 352 E C -0.669 175.922 176.600 -0.014 0.000 0.912 352 E CA 0.469 56.870 56.400 0.001 0.000 1.029 352 E CB -2.465 27.237 29.700 0.003 0.000 1.514 352 E HN 0.632 nan 8.360 nan 0.000 0.412 353 C N 1.261 120.555 119.300 -0.009 0.000 2.679 353 C HA 0.048 4.508 4.460 -0.000 0.000 0.417 353 C C 2.292 177.239 174.990 -0.071 0.000 1.302 353 C CA 0.099 59.104 59.018 -0.021 0.000 1.973 353 C CB 0.280 28.018 27.740 -0.005 0.000 2.715 353 C HN 0.355 nan 8.230 nan 0.000 0.628 354 K N 1.153 121.497 120.400 -0.093 0.000 1.969 354 K HA -0.113 4.207 4.320 -0.000 0.000 0.223 354 K C 0.445 176.790 176.600 -0.425 0.000 1.048 354 K CA 1.411 57.557 56.287 -0.235 0.000 0.983 354 K CB -0.122 32.297 32.500 -0.134 0.000 0.738 354 K HN 0.696 nan 8.250 nan 0.000 0.446 355 H N 0.807 119.882 119.070 0.008 0.000 2.423 355 H HA 0.252 4.808 4.556 -0.000 0.000 0.237 355 H C -2.368 172.962 175.328 0.004 0.000 1.391 355 H CA -1.966 54.085 56.048 0.006 0.000 1.453 355 H CB 0.427 30.192 29.762 0.005 0.000 1.484 355 H HN 0.256 nan 8.280 nan 0.000 0.505 356 P HA 0.055 nan 4.420 nan 0.000 0.268 356 P C 0.691 178.018 177.300 0.046 0.000 1.205 356 P CA -0.428 62.697 63.100 0.042 0.000 0.771 356 P CB 1.744 33.456 31.700 0.020 0.000 0.858 357 K N 0.458 120.875 120.400 0.029 0.000 2.358 357 K HA 0.381 4.701 4.320 -0.000 0.000 0.197 357 K C 0.443 177.047 176.600 0.007 0.000 1.025 357 K CA -0.018 56.281 56.287 0.019 0.000 1.104 357 K CB 0.615 33.123 32.500 0.014 0.000 0.855 357 K HN 0.558 nan 8.250 nan 0.000 0.531 358 A N 1.092 123.913 122.820 0.003 0.000 2.408 358 A HA 0.563 4.883 4.320 -0.000 0.000 0.295 358 A C -0.462 177.119 177.584 -0.004 0.000 1.040 358 A CA -0.733 51.301 52.037 -0.006 0.000 0.707 358 A CB 1.290 20.279 19.000 -0.019 0.000 1.235 358 A HN -0.052 nan 8.150 nan 0.000 0.418 359 V N -0.460 119.453 119.914 -0.002 0.000 2.960 359 V HA 0.972 5.092 4.120 -0.000 0.000 0.315 359 V C -0.295 175.797 176.094 -0.004 0.000 1.087 359 V CA -0.578 61.724 62.300 0.002 0.000 0.982 359 V CB 1.665 33.495 31.823 0.011 0.000 1.039 359 V HN 0.804 nan 8.190 nan 0.000 0.437 360 T N 3.739 118.292 114.554 -0.000 0.000 2.863 360 T HA 0.568 4.918 4.350 -0.000 0.000 0.285 360 T C -0.530 174.177 174.700 0.012 0.000 1.009 360 T CA -0.289 61.808 62.100 -0.006 0.000 0.989 360 T CB 1.552 70.401 68.868 -0.031 0.000 1.004 360 T HN 0.920 nan 8.240 nan 0.000 0.455 361 M N 4.212 123.818 119.600 0.010 0.000 2.060 361 M HA 0.438 4.918 4.480 -0.000 0.000 0.342 361 M C -1.114 175.200 176.300 0.023 0.000 1.031 361 M CA -1.040 54.272 55.300 0.021 0.000 0.981 361 M CB 0.238 32.848 32.600 0.016 0.000 1.376 361 M HN 0.474 nan 8.290 nan 0.000 0.397 362 L N 6.694 127.943 121.223 0.043 0.000 2.433 362 L HA 0.399 4.739 4.340 -0.000 0.000 0.275 362 L C -1.124 175.775 176.870 0.047 0.000 1.128 362 L CA 0.617 55.490 54.840 0.055 0.000 0.875 362 L CB 0.188 42.317 42.059 0.117 0.000 1.171 362 L HN 0.601 nan 8.230 nan 0.000 0.463 363 I N 6.094 126.685 120.570 0.035 0.000 2.359 363 I HA 0.489 4.659 4.170 -0.000 0.000 0.294 363 I C -0.038 176.097 176.117 0.031 0.000 0.987 363 I CA -0.761 60.555 61.300 0.027 0.000 1.225 363 I CB 0.899 38.910 38.000 0.019 0.000 1.366 363 I HN 0.532 nan 8.210 nan 0.000 0.466 364 R N 4.123 124.639 120.500 0.027 0.000 2.832 364 R HA 0.890 5.230 4.340 -0.000 0.000 0.271 364 R C -0.361 175.948 176.300 0.014 0.000 0.996 364 R CA -1.081 55.034 56.100 0.024 0.000 0.977 364 R CB 1.970 32.286 30.300 0.026 0.000 1.168 364 R HN 0.877 nan 8.270 nan 0.000 0.482 365 G N -0.935 107.873 108.800 0.013 0.000 2.519 365 G HA2 0.155 4.115 3.960 -0.000 0.000 0.292 365 G HA3 0.155 4.115 3.960 -0.000 0.000 0.292 365 G C 0.213 175.118 174.900 0.009 0.000 1.507 365 G CA -0.232 44.871 45.100 0.006 0.000 0.806 365 G HN 0.444 nan 8.290 nan 0.000 0.523 366 T N -2.234 112.323 114.554 0.004 0.000 3.155 366 T HA 0.299 4.649 4.350 -0.000 0.000 0.264 366 T C 0.836 175.544 174.700 0.013 0.000 1.160 366 T CA 1.462 63.566 62.100 0.006 0.000 1.075 366 T CB -0.091 68.778 68.868 0.001 0.000 0.921 366 T HN 0.689 nan 8.240 nan 0.000 0.533 367 T N 0.227 114.792 114.554 0.017 0.000 2.885 367 T HA 0.340 4.690 4.350 -0.000 0.000 0.322 367 T C 0.296 175.022 174.700 0.043 0.000 1.387 367 T CA -0.657 61.463 62.100 0.032 0.000 1.041 367 T CB 2.391 71.282 68.868 0.040 0.000 1.287 367 T HN 0.004 nan 8.240 nan 0.000 0.491 368 E N 0.907 121.141 120.200 0.056 0.000 2.038 368 E HA -0.177 4.173 4.350 -0.000 0.000 0.195 368 E C 1.659 178.325 176.600 0.110 0.000 1.000 368 E CA 2.031 58.469 56.400 0.064 0.000 0.803 368 E CB -0.205 29.524 29.700 0.050 0.000 0.750 368 E HN 0.756 nan 8.360 nan 0.000 0.448 369 H N -0.957 118.114 119.070 0.001 0.000 2.422 369 H HA -0.087 4.469 4.556 0.000 0.000 0.298 369 H C 1.825 177.153 175.328 0.000 0.000 1.098 369 H CA 1.147 57.195 56.048 0.001 0.000 1.315 369 H CB 0.338 30.100 29.762 -0.000 0.000 1.382 369 H HN 0.115 nan 8.280 nan 0.000 0.523 370 V N 1.784 121.697 119.914 -0.001 0.000 2.283 370 V HA -0.255 3.865 4.120 -0.000 0.000 0.243 370 V C 2.624 178.698 176.094 -0.034 0.000 1.039 370 V CA 1.805 64.057 62.300 -0.079 0.000 1.016 370 V CB -0.424 31.371 31.823 -0.047 0.000 0.650 370 V HN 0.553 nan 8.190 nan 0.000 0.449 371 I N -1.156 119.417 120.570 0.005 0.000 2.493 371 I HA -0.171 3.999 4.170 -0.000 0.000 0.254 371 I C 2.283 178.413 176.117 0.021 0.000 1.160 371 I CA 1.948 63.256 61.300 0.012 0.000 1.445 371 I CB -0.554 37.458 38.000 0.021 0.000 1.086 371 I HN 0.389 nan 8.210 nan 0.000 0.433 372 E N 1.504 121.730 120.200 0.043 0.000 2.072 372 E HA -0.205 4.145 4.350 -0.000 0.000 0.191 372 E C 2.034 178.661 176.600 0.045 0.000 0.985 372 E CA 1.079 57.515 56.400 0.061 0.000 0.801 372 E CB 0.098 29.869 29.700 0.117 0.000 0.750 372 E HN 0.489 nan 8.360 nan 0.000 0.452 373 E N 0.213 120.425 120.200 0.019 0.000 2.152 373 E HA -0.113 4.237 4.350 -0.000 0.000 0.192 373 E C 2.256 178.848 176.600 -0.014 0.000 0.983 373 E CA 0.651 57.043 56.400 -0.013 0.000 0.818 373 E CB 0.011 29.655 29.700 -0.094 0.000 0.758 373 E HN 0.204 nan 8.360 nan 0.000 0.467 374 V N 1.642 121.546 119.914 -0.016 0.000 2.407 374 V HA -0.231 3.889 4.120 -0.000 0.000 0.248 374 V C 2.446 178.541 176.094 0.002 0.000 1.055 374 V CA 1.704 63.999 62.300 -0.009 0.000 1.049 374 V CB -0.798 31.020 31.823 -0.008 0.000 0.662 374 V HN 0.226 nan 8.190 nan 0.000 0.455 375 A N 0.106 122.931 122.820 0.008 0.000 1.877 375 A HA -0.257 4.063 4.320 -0.000 0.000 0.216 375 A C 2.417 180.009 177.584 0.012 0.000 1.186 375 A CA 2.046 54.090 52.037 0.011 0.000 0.620 375 A CB -0.578 18.431 19.000 0.015 0.000 0.822 375 A HN 0.479 nan 8.150 nan 0.000 0.443 376 R N -0.358 120.151 120.500 0.015 0.000 2.091 376 R HA -0.124 4.216 4.340 -0.000 0.000 0.238 376 R C 2.278 178.586 176.300 0.014 0.000 1.136 376 R CA 1.478 57.587 56.100 0.016 0.000 0.959 376 R CB -0.418 29.895 30.300 0.022 0.000 0.856 376 R HN 0.442 nan 8.270 nan 0.000 0.437 377 A N 0.165 122.991 122.820 0.010 0.000 1.908 377 A HA -0.113 4.207 4.320 -0.000 0.000 0.218 377 A C 2.227 179.818 177.584 0.012 0.000 1.181 377 A CA 1.669 53.712 52.037 0.011 0.000 0.627 377 A CB -0.446 18.556 19.000 0.004 0.000 0.818 377 A HN 0.243 nan 8.150 nan 0.000 0.445 378 V N 0.416 120.336 119.914 0.010 0.000 2.453 378 V HA -0.182 3.938 4.120 -0.000 0.000 0.247 378 V C 2.041 178.142 176.094 0.010 0.000 1.048 378 V CA 2.015 64.322 62.300 0.010 0.000 1.049 378 V CB -0.792 31.037 31.823 0.009 0.000 0.672 378 V HN 0.465 nan 8.190 nan 0.000 0.457 379 D N 0.322 120.728 120.400 0.010 0.000 2.149 379 D HA -0.170 4.470 4.640 -0.000 0.000 0.198 379 D C 1.852 178.158 176.300 0.011 0.000 0.990 379 D CA 1.426 55.432 54.000 0.010 0.000 0.839 379 D CB -0.219 40.587 40.800 0.010 0.000 0.948 379 D HN 0.427 nan 8.370 nan 0.000 0.460 380 D N 0.062 120.469 120.400 0.013 0.000 2.120 380 D HA -0.007 4.633 4.640 -0.000 0.000 0.202 380 D C 2.070 178.378 176.300 0.013 0.000 0.972 380 D CA 1.165 55.173 54.000 0.014 0.000 0.837 380 D CB -0.363 40.448 40.800 0.018 0.000 0.989 380 D HN 0.114 nan 8.370 nan 0.000 0.469 381 A N 0.765 123.594 122.820 0.014 0.000 1.908 381 A HA -0.155 4.165 4.320 -0.000 0.000 0.218 381 A C 2.508 180.099 177.584 0.012 0.000 1.181 381 A CA 1.341 53.386 52.037 0.014 0.000 0.627 381 A CB -0.848 18.161 19.000 0.014 0.000 0.818 381 A HN 0.142 nan 8.150 nan 0.000 0.445 382 V N -0.076 119.845 119.914 0.010 0.000 2.343 382 V HA -0.200 3.920 4.120 -0.000 0.000 0.247 382 V C 2.794 178.893 176.094 0.008 0.000 1.051 382 V CA 1.969 64.274 62.300 0.009 0.000 1.036 382 V CB -1.433 30.394 31.823 0.008 0.000 0.654 382 V HN 0.634 nan 8.190 nan 0.000 0.451 383 G N -0.247 108.558 108.800 0.008 0.000 2.433 383 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.216 383 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.216 383 G C 1.635 176.539 174.900 0.007 0.000 1.186 383 G CA 1.313 46.417 45.100 0.007 0.000 0.779 383 G HN 0.405 nan 8.290 nan 0.000 0.543 384 V N 0.342 120.261 119.914 0.008 0.000 2.548 384 V HA -0.095 4.025 4.120 -0.000 0.000 0.249 384 V C 2.967 179.066 176.094 0.008 0.000 1.055 384 V CA 1.077 63.382 62.300 0.008 0.000 1.065 384 V CB -0.023 31.806 31.823 0.009 0.000 0.681 384 V HN 0.227 nan 8.190 nan 0.000 0.462 385 V N 1.168 121.087 119.914 0.008 0.000 2.427 385 V HA -0.148 3.972 4.120 -0.000 0.000 0.248 385 V C 2.603 178.701 176.094 0.007 0.000 1.051 385 V CA 2.128 64.433 62.300 0.008 0.000 1.048 385 V CB -1.220 30.609 31.823 0.009 0.000 0.666 385 V HN 0.603 nan 8.190 nan 0.000 0.456 386 G N -1.367 107.437 108.800 0.006 0.000 2.402 386 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.216 386 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.216 386 G C 1.758 176.661 174.900 0.005 0.000 1.162 386 G CA 1.216 46.319 45.100 0.005 0.000 0.777 386 G HN 0.518 nan 8.290 nan 0.000 0.539 387 C N 0.482 119.785 119.300 0.005 0.000 2.413 387 C HA -0.031 4.429 4.460 -0.000 0.000 0.276 387 C C 3.232 178.225 174.990 0.005 0.000 1.248 387 C CA 1.623 60.644 59.018 0.005 0.000 1.742 387 C CB -0.932 26.811 27.740 0.005 0.000 2.017 387 C HN 0.424 nan 8.230 nan 0.000 0.481 388 T N 0.537 115.094 114.554 0.005 0.000 2.951 388 T HA -0.031 4.319 4.350 -0.000 0.000 0.268 388 T C 1.516 176.219 174.700 0.005 0.000 1.073 388 T CA 0.907 63.010 62.100 0.005 0.000 1.134 388 T CB -0.185 68.686 68.868 0.006 0.000 0.884 388 T HN 0.327 nan 8.240 nan 0.000 0.479 389 I N 1.152 121.725 120.570 0.005 0.000 2.500 389 I HA -0.006 4.164 4.170 -0.000 0.000 0.252 389 I C 2.247 178.366 176.117 0.003 0.000 1.142 389 I CA 1.224 62.527 61.300 0.004 0.000 1.451 389 I CB -0.190 37.812 38.000 0.004 0.000 1.093 389 I HN 0.257 nan 8.210 nan 0.000 0.430 390 E N -0.738 119.464 120.200 0.003 0.000 2.140 390 E HA -0.060 4.290 4.350 -0.000 0.000 0.191 390 E C 0.206 176.808 176.600 0.003 0.000 0.973 390 E CA 0.495 56.897 56.400 0.003 0.000 0.829 390 E CB 0.255 29.956 29.700 0.003 0.000 0.781 390 E HN 0.226 nan 8.360 nan 0.000 0.466 391 D N -0.485 119.917 120.400 0.004 0.000 2.446 391 D HA 0.156 4.796 4.640 -0.000 0.000 0.251 391 D C 0.282 176.585 176.300 0.005 0.000 1.137 391 D CA -0.392 53.611 54.000 0.004 0.000 0.890 391 D CB 1.135 41.938 40.800 0.005 0.000 1.071 391 D HN 0.045 nan 8.370 nan 0.000 0.528 392 G N 3.107 111.910 108.800 0.005 0.000 3.194 392 G HA2 -0.046 3.914 3.960 -0.000 0.000 0.208 392 G HA3 -0.046 3.914 3.960 -0.000 0.000 0.208 392 G C 0.501 175.405 174.900 0.006 0.000 1.240 392 G CA 0.064 45.167 45.100 0.005 0.000 1.044 392 G HN 0.246 nan 8.290 nan 0.000 0.495 393 R N -0.388 120.115 120.500 0.006 0.000 2.637 393 R HA 0.697 5.037 4.340 -0.000 0.000 0.291 393 R C 0.102 176.406 176.300 0.007 0.000 0.963 393 R CA -0.638 55.466 56.100 0.007 0.000 0.901 393 R CB 1.697 32.002 30.300 0.008 0.000 1.160 393 R HN 0.323 nan 8.270 nan 0.000 0.457 394 I N -1.876 118.698 120.570 0.007 0.000 3.145 394 I HA 0.861 5.031 4.170 -0.000 0.000 0.313 394 I C -1.137 174.985 176.117 0.008 0.000 1.122 394 I CA -1.317 59.986 61.300 0.007 0.000 0.987 394 I CB 2.475 40.479 38.000 0.006 0.000 1.236 394 I HN 0.325 nan 8.210 nan 0.000 0.453 395 V N 1.527 121.444 119.914 0.006 0.000 3.077 395 V HA 0.429 4.549 4.120 -0.000 0.000 0.299 395 V C -0.342 175.754 176.094 0.003 0.000 1.276 395 V CA -0.269 62.035 62.300 0.007 0.000 0.993 395 V CB 2.604 34.431 31.823 0.006 0.000 1.076 395 V HN 0.993 nan 8.190 nan 0.000 0.434 396 S N 3.483 119.188 115.700 0.008 0.000 2.560 396 S HA 0.504 4.974 4.470 -0.000 0.000 0.284 396 S C 0.569 175.159 174.600 -0.017 0.000 1.327 396 S CA 0.377 58.578 58.200 0.002 0.000 1.055 396 S CB 1.239 64.451 63.200 0.021 0.000 0.868 396 S HN 1.229 nan 8.310 nan 0.000 0.506 397 G N 0.618 109.401 108.800 -0.028 0.000 2.945 397 G HA2 0.523 4.483 3.960 -0.000 0.000 0.156 397 G HA3 0.523 4.483 3.960 -0.000 0.000 0.156 397 G C 0.888 175.754 174.900 -0.057 0.000 1.375 397 G CA -0.197 44.876 45.100 -0.044 0.000 1.039 397 G HN 1.526 nan 8.290 nan 0.000 0.586 398 G N -1.502 107.257 108.800 -0.069 0.000 2.258 398 G HA2 0.247 4.207 3.960 -0.000 0.000 0.274 398 G HA3 0.247 4.207 3.960 -0.000 0.000 0.274 398 G C 1.413 176.266 174.900 -0.079 0.000 1.021 398 G CA 1.252 46.306 45.100 -0.077 0.000 0.798 398 G HN 2.421 nan 8.290 nan 0.000 0.507 399 G N -1.458 107.295 108.800 -0.078 0.000 2.160 399 G HA2 -0.090 3.870 3.960 -0.000 0.000 0.251 399 G HA3 -0.090 3.870 3.960 -0.000 0.000 0.251 399 G C 1.331 176.163 174.900 -0.113 0.000 1.008 399 G CA 1.577 46.625 45.100 -0.087 0.000 0.724 399 G HN 1.904 nan 8.290 nan 0.000 0.514 400 S N -0.349 115.281 115.700 -0.118 0.000 2.383 400 S HA -0.135 4.335 4.470 -0.000 0.000 0.227 400 S C 2.821 177.334 174.600 -0.145 0.000 1.026 400 S CA 2.559 60.652 58.200 -0.178 0.000 0.981 400 S CB -0.455 62.674 63.200 -0.118 0.000 0.818 400 S HN 1.285 nan 8.310 nan 0.000 0.472 401 T N 0.207 114.713 114.554 -0.080 0.000 2.622 401 T HA -0.107 4.243 4.350 -0.000 0.000 0.266 401 T C 1.581 176.249 174.700 -0.054 0.000 1.047 401 T CA 1.644 63.715 62.100 -0.048 0.000 1.159 401 T CB -0.979 67.874 68.868 -0.026 0.000 0.863 401 T HN 0.386 nan 8.240 nan 0.000 0.422 402 E N 0.842 121.003 120.200 -0.064 0.000 2.171 402 E HA -0.058 4.292 4.350 -0.000 0.000 0.197 402 E C 2.261 178.815 176.600 -0.077 0.000 0.997 402 E CA 0.831 57.191 56.400 -0.066 0.000 0.810 402 E CB -0.662 28.988 29.700 -0.084 0.000 0.738 402 E HN 0.414 nan 8.360 nan 0.000 0.467 403 V N 0.898 120.745 119.914 -0.113 0.000 2.379 403 V HA -0.180 3.940 4.120 -0.000 0.000 0.245 403 V C 2.118 178.151 176.094 -0.102 0.000 1.044 403 V CA 1.470 63.692 62.300 -0.130 0.000 1.036 403 V CB -0.316 31.376 31.823 -0.219 0.000 0.664 403 V HN 0.220 nan 8.190 nan 0.000 0.453 404 E N 0.054 120.196 120.200 -0.098 0.000 2.051 404 E HA -0.203 4.147 4.350 -0.000 0.000 0.192 404 E C 2.193 178.776 176.600 -0.029 0.000 0.991 404 E CA 1.181 57.562 56.400 -0.033 0.000 0.799 404 E CB -0.307 29.393 29.700 -0.000 0.000 0.748 404 E HN 0.338 nan 8.360 nan 0.000 0.449 405 L N 0.947 122.159 121.223 -0.018 0.000 2.046 405 L HA -0.140 4.200 4.340 -0.000 0.000 0.208 405 L C 2.577 179.443 176.870 -0.007 0.000 1.077 405 L CA 1.467 56.313 54.840 0.010 0.000 0.747 405 L CB -1.246 40.844 42.059 0.052 0.000 0.896 405 L HN 0.041 nan 8.230 nan 0.000 0.432 406 S N -1.247 114.441 115.700 -0.020 0.000 2.368 406 S HA -0.257 4.213 4.470 -0.000 0.000 0.225 406 S C 2.049 176.619 174.600 -0.050 0.000 1.030 406 S CA 1.635 59.821 58.200 -0.023 0.000 0.999 406 S CB -0.178 62.999 63.200 -0.038 0.000 0.844 406 S HN 0.330 nan 8.310 nan 0.000 0.459 407 M N 1.302 120.863 119.600 -0.066 0.000 2.066 407 M HA 0.034 4.514 4.480 -0.000 0.000 0.259 407 M C 1.788 177.985 176.300 -0.171 0.000 1.074 407 M CA 1.887 57.137 55.300 -0.083 0.000 1.114 407 M CB -0.527 32.042 32.600 -0.051 0.000 1.306 407 M HN 0.041 nan 8.290 nan 0.000 0.411 408 K N 0.084 120.339 120.400 -0.241 0.000 2.097 408 K HA -0.012 4.308 4.320 -0.000 0.000 0.206 408 K C 1.892 177.939 176.600 -0.922 0.000 1.049 408 K CA 1.448 57.394 56.287 -0.568 0.000 0.933 408 K CB -0.776 31.456 32.500 -0.447 0.000 0.717 408 K HN 0.397 nan 8.250 nan 0.000 0.442 409 L N 0.354 121.337 121.223 -0.400 0.000 2.131 409 L HA -0.115 4.225 4.340 -0.000 0.000 0.210 409 L C 2.594 179.416 176.870 -0.079 0.000 1.092 409 L CA 0.922 55.675 54.840 -0.146 0.000 0.759 409 L CB -0.292 41.796 42.059 0.047 0.000 0.903 409 L HN 0.179 nan 8.230 nan 0.000 0.435 410 R N 0.754 121.193 120.500 -0.102 0.000 2.092 410 R HA -0.162 4.178 4.340 -0.000 0.000 0.231 410 R C 1.865 178.141 176.300 -0.040 0.000 1.119 410 R CA 1.546 57.621 56.100 -0.041 0.000 0.970 410 R CB -0.056 30.223 30.300 -0.036 0.000 0.864 410 R HN 0.485 nan 8.270 nan 0.000 0.440 411 E N -0.787 119.341 120.200 -0.119 0.000 2.072 411 E HA -0.154 4.196 4.350 -0.000 0.000 0.190 411 E C 1.886 178.546 176.600 0.100 0.000 0.982 411 E CA 0.941 57.312 56.400 -0.048 0.000 0.803 411 E CB -0.179 29.458 29.700 -0.105 0.000 0.755 411 E HN 0.318 nan 8.360 nan 0.000 0.453 412 Y N 0.806 121.115 120.300 0.016 0.000 2.207 412 Y HA -0.166 4.384 4.550 -0.000 0.000 0.287 412 Y C 2.397 178.304 175.900 0.011 0.000 1.156 412 Y CA 0.643 58.750 58.100 0.010 0.000 1.182 412 Y CB -1.250 37.213 38.460 0.006 0.000 0.979 412 Y HN 0.041 nan 8.280 nan 0.000 0.521 413 A N 0.327 123.248 122.820 0.168 0.000 1.883 413 A HA -0.189 4.131 4.320 -0.000 0.000 0.217 413 A C 2.203 179.833 177.584 0.077 0.000 1.186 413 A CA 1.852 53.950 52.037 0.102 0.000 0.624 413 A CB -0.486 18.561 19.000 0.078 0.000 0.822 413 A HN 0.342 nan 8.150 nan 0.000 0.444 414 E N -0.535 119.707 120.200 0.070 0.000 2.150 414 E HA -0.119 4.231 4.350 -0.000 0.000 0.193 414 E C 2.156 178.789 176.600 0.055 0.000 0.985 414 E CA 1.081 57.512 56.400 0.053 0.000 0.814 414 E CB -0.652 29.074 29.700 0.043 0.000 0.752 414 E HN 0.603 nan 8.360 nan 0.000 0.466 415 G N 1.151 109.997 108.800 0.076 0.000 2.402 415 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.216 415 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.216 415 G C 1.739 176.663 174.900 0.039 0.000 1.162 415 G CA 0.403 45.540 45.100 0.061 0.000 0.777 415 G HN 0.179 nan 8.290 nan 0.000 0.539 416 I N -0.143 120.453 120.570 0.044 0.000 2.286 416 I HA 0.010 4.180 4.170 -0.000 0.000 0.245 416 I C 1.749 177.879 176.117 0.023 0.000 1.104 416 I CA 0.622 61.938 61.300 0.026 0.000 1.397 416 I CB -0.276 37.741 38.000 0.029 0.000 1.072 416 I HN 0.318 nan 8.210 nan 0.000 0.417 417 S N -0.721 114.997 115.700 0.030 0.000 3.307 417 S HA -0.152 4.318 4.470 -0.000 0.000 0.634 417 S C 0.591 175.203 174.600 0.020 0.000 2.711 417 S CA 0.944 59.159 58.200 0.025 0.000 2.940 417 S CB -1.371 61.840 63.200 0.019 0.000 0.331 417 S HN 1.369 nan 8.310 nan 0.000 1.766 418 G N 0.622 109.432 108.800 0.016 0.000 2.569 418 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.259 418 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.259 418 G C 0.149 175.058 174.900 0.016 0.000 1.263 418 G CA 1.165 46.273 45.100 0.013 0.000 0.928 418 G HN 1.159 nan 8.290 nan 0.000 0.572 419 R N 0.298 120.805 120.500 0.013 0.000 2.153 419 R HA 0.194 4.534 4.340 -0.000 0.000 0.218 419 R C 2.596 178.906 176.300 0.016 0.000 1.072 419 R CA 1.803 57.912 56.100 0.015 0.000 0.990 419 R CB -0.363 29.945 30.300 0.014 0.000 0.889 419 R HN 0.707 nan 8.270 nan 0.000 0.452 420 E N 0.469 120.676 120.200 0.012 0.000 2.160 420 E HA -0.281 4.069 4.350 -0.000 0.000 0.195 420 E C 1.810 178.429 176.600 0.032 0.000 0.991 420 E CA 1.453 57.860 56.400 0.012 0.000 0.810 420 E CB -0.010 29.693 29.700 0.004 0.000 0.742 420 E HN 0.534 nan 8.360 nan 0.000 0.466 421 Q N 0.444 120.266 119.800 0.036 0.000 2.170 421 Q HA -0.187 4.153 4.340 -0.000 0.000 0.203 421 Q C 1.976 178.014 176.000 0.063 0.000 0.976 421 Q CA 1.048 56.883 55.803 0.052 0.000 0.858 421 Q CB -0.172 28.593 28.738 0.045 0.000 0.907 421 Q HN 0.165 nan 8.270 nan 0.000 0.433 422 L N 1.165 122.419 121.223 0.052 0.000 2.093 422 L HA -0.062 4.278 4.340 -0.000 0.000 0.208 422 L C 2.559 179.482 176.870 0.089 0.000 1.085 422 L CA 1.898 56.774 54.840 0.060 0.000 0.755 422 L CB -1.077 41.006 42.059 0.039 0.000 0.904 422 L HN 0.410 nan 8.230 nan 0.000 0.435 423 A N -1.244 121.620 122.820 0.074 0.000 1.898 423 A HA -0.112 4.208 4.320 -0.000 0.000 0.216 423 A C 2.331 180.076 177.584 0.268 0.000 1.181 423 A CA 1.677 53.769 52.037 0.092 0.000 0.620 423 A CB -0.802 18.186 19.000 -0.020 0.000 0.819 423 A HN 0.193 nan 8.150 nan 0.000 0.442 424 V N -0.125 119.901 119.914 0.186 0.000 2.515 424 V HA -0.187 3.933 4.120 -0.000 0.000 0.250 424 V C 2.575 178.799 176.094 0.217 0.000 1.058 424 V CA 2.043 64.462 62.300 0.198 0.000 1.064 424 V CB -0.795 31.098 31.823 0.117 0.000 0.675 424 V HN 0.607 nan 8.190 nan 0.000 0.461 425 R N 0.228 120.828 120.500 0.167 0.000 2.075 425 R HA -0.111 4.229 4.340 -0.000 0.000 0.232 425 R C 2.290 178.679 176.300 0.148 0.000 1.126 425 R CA 1.498 57.675 56.100 0.128 0.000 0.963 425 R CB -0.344 30.008 30.300 0.087 0.000 0.858 425 R HN 0.490 nan 8.270 nan 0.000 0.435 426 A N 0.004 122.951 122.820 0.212 0.000 1.969 426 A HA -0.156 4.164 4.320 -0.000 0.000 0.218 426 A C 1.906 179.596 177.584 0.178 0.000 1.169 426 A CA 0.892 53.063 52.037 0.223 0.000 0.635 426 A CB -0.624 18.566 19.000 0.317 0.000 0.810 426 A HN 0.483 nan 8.150 nan 0.000 0.445 427 F N 0.881 120.877 119.950 0.077 0.000 2.134 427 F HA -0.061 4.466 4.527 -0.000 0.000 0.299 427 F C 2.518 178.248 175.800 -0.118 0.000 1.097 427 F CA 1.283 59.159 58.000 -0.207 0.000 1.264 427 F CB -0.228 38.684 39.000 -0.148 0.000 1.001 427 F HN 0.249 nan 8.300 nan 0.000 0.479 428 A N -0.271 122.646 122.820 0.161 0.000 1.933 428 A HA -0.179 4.141 4.320 -0.000 0.000 0.218 428 A C 1.876 179.438 177.584 -0.037 0.000 1.175 428 A CA 1.965 54.040 52.037 0.064 0.000 0.628 428 A CB -0.863 18.187 19.000 0.083 0.000 0.814 428 A HN 0.413 nan 8.150 nan 0.000 0.444 429 D N -0.103 120.281 120.400 -0.026 0.000 2.224 429 D HA 0.057 4.697 4.640 -0.000 0.000 0.205 429 D C 2.118 178.359 176.300 -0.098 0.000 0.965 429 D CA 1.227 55.201 54.000 -0.044 0.000 0.852 429 D CB -0.284 40.511 40.800 -0.007 0.000 0.947 429 D HN 0.421 nan 8.370 nan 0.000 0.494 430 A N 0.537 123.255 122.820 -0.170 0.000 1.969 430 A HA -0.056 4.264 4.320 -0.000 0.000 0.218 430 A C 2.243 179.663 177.584 -0.274 0.000 1.169 430 A CA 0.549 52.440 52.037 -0.244 0.000 0.635 430 A CB -0.631 18.136 19.000 -0.389 0.000 0.810 430 A HN 0.204 nan 8.150 nan 0.000 0.445 431 L N -0.575 120.466 121.223 -0.305 0.000 2.265 431 L HA -0.182 4.158 4.340 -0.000 0.000 0.215 431 L C 2.411 179.187 176.870 -0.157 0.000 1.117 431 L CA 1.484 56.174 54.840 -0.251 0.000 0.782 431 L CB -0.418 41.517 42.059 -0.207 0.000 0.914 431 L HN 0.564 nan 8.230 nan 0.000 0.441 432 E N 0.000 120.124 120.200 -0.128 0.000 2.409 432 E HA -0.195 4.155 4.350 -0.000 0.000 0.198 432 E C 2.202 178.750 176.600 -0.086 0.000 1.024 432 E CA 0.501 56.845 56.400 -0.093 0.000 0.861 432 E CB 0.176 29.832 29.700 -0.074 0.000 0.788 432 E HN 0.307 nan 8.360 nan 0.000 0.521 433 V N 0.870 120.725 119.914 -0.098 0.000 2.469 433 V HA -0.245 3.875 4.120 -0.000 0.000 0.251 433 V C 1.919 177.968 176.094 -0.075 0.000 1.064 433 V CA 1.224 63.475 62.300 -0.082 0.000 1.066 433 V CB -0.296 31.473 31.823 -0.090 0.000 0.667 433 V HN 0.324 nan 8.190 nan 0.000 0.461 434 I N 0.636 121.156 120.570 -0.084 0.000 2.113 434 I HA -0.093 4.077 4.170 -0.000 0.000 0.238 434 I C 0.308 176.386 176.117 -0.066 0.000 1.070 434 I CA 1.823 63.079 61.300 -0.074 0.000 1.332 434 I CB -3.030 34.922 38.000 -0.079 0.000 1.044 434 I HN 0.336 nan 8.210 nan 0.000 0.402 435 P HA -0.137 nan 4.420 nan 0.000 0.216 435 P C 1.727 178.995 177.300 -0.052 0.000 1.153 435 P CA 1.396 64.458 63.100 -0.062 0.000 0.858 435 P CB -0.120 31.540 31.700 -0.066 0.000 0.789 436 R N -0.637 119.832 120.500 -0.051 0.000 2.091 436 R HA -0.075 4.265 4.340 -0.000 0.000 0.238 436 R C 2.151 178.428 176.300 -0.038 0.000 1.136 436 R CA 2.208 58.282 56.100 -0.043 0.000 0.959 436 R CB -2.033 28.241 30.300 -0.044 0.000 0.856 436 R HN 0.356 nan 8.270 nan 0.000 0.437 437 T N -1.902 112.627 114.554 -0.041 0.000 3.057 437 T HA 0.067 4.417 4.350 -0.000 0.000 0.254 437 T C 1.903 176.583 174.700 -0.033 0.000 1.094 437 T CA -0.047 62.033 62.100 -0.035 0.000 1.088 437 T CB -0.015 68.832 68.868 -0.036 0.000 0.934 437 T HN -0.103 nan 8.240 nan 0.000 0.497 438 L N 1.811 123.010 121.223 -0.040 0.000 2.027 438 L HA 0.298 4.638 4.340 -0.000 0.000 0.206 438 L C 2.934 179.782 176.870 -0.037 0.000 1.074 438 L CA 1.766 56.581 54.840 -0.043 0.000 0.745 438 L CB -1.169 40.858 42.059 -0.054 0.000 0.898 438 L HN 0.429 nan 8.230 nan 0.000 0.433 439 A N -1.641 121.158 122.820 -0.035 0.000 2.021 439 A HA -0.134 4.186 4.320 -0.000 0.000 0.216 439 A C 2.278 179.851 177.584 -0.018 0.000 1.163 439 A CA 1.055 53.076 52.037 -0.026 0.000 0.676 439 A CB -0.387 18.597 19.000 -0.027 0.000 0.818 439 A HN 0.465 nan 8.150 nan 0.000 0.453 440 E N 0.340 120.528 120.200 -0.020 0.000 2.028 440 E HA -0.213 4.137 4.350 -0.000 0.000 0.191 440 E C 1.483 178.077 176.600 -0.010 0.000 0.988 440 E CA 1.337 57.729 56.400 -0.015 0.000 0.799 440 E CB -0.137 29.552 29.700 -0.018 0.000 0.755 440 E HN 0.512 nan 8.360 nan 0.000 0.447 441 N N 0.303 118.996 118.700 -0.011 0.000 2.309 441 N HA -0.107 4.633 4.740 -0.000 0.000 0.182 441 N C 1.396 176.908 175.510 0.003 0.000 1.018 441 N CA 1.122 54.169 53.050 -0.005 0.000 0.876 441 N CB -0.217 38.266 38.487 -0.008 0.000 0.972 441 N HN 0.233 nan 8.380 nan 0.000 0.434 442 A N -0.125 122.695 122.820 0.000 0.000 2.067 442 A HA 0.319 4.639 4.320 -0.000 0.000 0.217 442 A C 1.512 179.105 177.584 0.015 0.000 1.156 442 A CA 1.109 53.153 52.037 0.011 0.000 0.683 442 A CB -0.371 18.629 19.000 0.000 0.000 0.808 442 A HN 0.313 nan 8.150 nan 0.000 0.455 443 G N -1.329 107.475 108.800 0.006 0.000 2.149 443 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.235 443 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.235 443 G C -0.026 174.877 174.900 0.005 0.000 1.018 443 G CA 0.285 45.388 45.100 0.006 0.000 0.728 443 G HN 0.432 nan 8.290 nan 0.000 0.508 444 L N 0.133 121.357 121.223 0.001 0.000 2.399 444 L HA 0.446 4.786 4.340 -0.000 0.000 0.265 444 L C 0.547 177.414 176.870 -0.006 0.000 1.089 444 L CA -1.011 53.828 54.840 -0.002 0.000 0.802 444 L CB 0.844 42.899 42.059 -0.005 0.000 1.180 444 L HN 0.095 nan 8.230 nan 0.000 0.454 445 D N 1.184 121.581 120.400 -0.005 0.000 2.346 445 D HA 0.077 4.717 4.640 -0.000 0.000 0.267 445 D C 0.755 177.048 176.300 -0.012 0.000 1.320 445 D CA 0.170 54.166 54.000 -0.007 0.000 0.951 445 D CB 1.602 42.398 40.800 -0.005 0.000 1.079 445 D HN 0.638 nan 8.370 nan 0.000 0.509 446 A N 4.925 127.736 122.820 -0.014 0.000 1.908 446 A HA -0.194 4.126 4.320 -0.000 0.000 0.218 446 A C 2.301 179.873 177.584 -0.020 0.000 1.181 446 A CA 1.022 53.047 52.037 -0.020 0.000 0.627 446 A CB -0.353 18.635 19.000 -0.021 0.000 0.818 446 A HN 0.755 nan 8.150 nan 0.000 0.445 447 I N -1.070 119.490 120.570 -0.016 0.000 2.142 447 I HA -0.222 3.948 4.170 -0.000 0.000 0.240 447 I C 2.607 178.716 176.117 -0.013 0.000 1.078 447 I CA 1.861 63.152 61.300 -0.015 0.000 1.343 447 I CB -0.329 37.664 38.000 -0.012 0.000 1.046 447 I HN 0.368 nan 8.210 nan 0.000 0.405 448 E N 1.226 121.420 120.200 -0.011 0.000 2.072 448 E HA -0.168 4.182 4.350 -0.000 0.000 0.191 448 E C 2.131 178.726 176.600 -0.009 0.000 0.985 448 E CA 1.221 57.616 56.400 -0.008 0.000 0.801 448 E CB -0.020 29.677 29.700 -0.006 0.000 0.750 448 E HN 0.238 nan 8.360 nan 0.000 0.452 449 I N 0.372 120.935 120.570 -0.012 0.000 2.127 449 I HA -0.248 3.922 4.170 -0.000 0.000 0.241 449 I C 2.079 178.186 176.117 -0.017 0.000 1.075 449 I CA 0.948 62.239 61.300 -0.014 0.000 1.334 449 I CB -1.090 36.899 38.000 -0.018 0.000 1.040 449 I HN 0.226 nan 8.210 nan 0.000 0.405 450 L N 0.147 121.356 121.223 -0.022 0.000 2.042 450 L HA -0.185 4.155 4.340 -0.000 0.000 0.210 450 L C 2.622 179.480 176.870 -0.019 0.000 1.076 450 L CA 1.383 56.206 54.840 -0.027 0.000 0.749 450 L CB -1.204 40.836 42.059 -0.031 0.000 0.893 450 L HN 0.018 nan 8.230 nan 0.000 0.432 451 V N -0.830 119.076 119.914 -0.013 0.000 2.358 451 V HA -0.231 3.889 4.120 -0.000 0.000 0.246 451 V C 2.600 178.693 176.094 -0.001 0.000 1.047 451 V CA 1.345 63.641 62.300 -0.007 0.000 1.035 451 V CB -0.519 31.301 31.823 -0.006 0.000 0.658 451 V HN 0.379 nan 8.190 nan 0.000 0.452 452 K N -0.071 120.329 120.400 -0.001 0.000 2.057 452 K HA -0.054 4.266 4.320 -0.000 0.000 0.206 452 K C 2.141 178.747 176.600 0.010 0.000 1.050 452 K CA 1.051 57.340 56.287 0.004 0.000 0.935 452 K CB -0.713 31.788 32.500 0.001 0.000 0.715 452 K HN 0.383 nan 8.250 nan 0.000 0.439 453 V N 1.534 121.450 119.914 0.004 0.000 2.261 453 V HA -0.230 3.890 4.120 -0.000 0.000 0.246 453 V C 2.495 178.610 176.094 0.035 0.000 1.047 453 V CA 1.660 63.966 62.300 0.011 0.000 1.015 453 V CB -0.428 31.386 31.823 -0.014 0.000 0.642 453 V HN 0.299 nan 8.190 nan 0.000 0.446 454 R N 0.044 120.551 120.500 0.013 0.000 2.091 454 R HA -0.176 4.164 4.340 -0.000 0.000 0.238 454 R C 2.414 178.757 176.300 0.071 0.000 1.136 454 R CA 1.581 57.699 56.100 0.029 0.000 0.959 454 R CB -0.660 29.638 30.300 -0.003 0.000 0.856 454 R HN 0.558 nan 8.270 nan 0.000 0.437 455 A N 1.252 124.096 122.820 0.041 0.000 1.858 455 A HA -0.126 4.194 4.320 -0.000 0.000 0.216 455 A C 2.405 180.012 177.584 0.038 0.000 1.190 455 A CA 1.724 53.781 52.037 0.033 0.000 0.617 455 A CB -0.802 18.209 19.000 0.017 0.000 0.827 455 A HN 0.405 nan 8.150 nan 0.000 0.443 456 A N -1.210 121.634 122.820 0.041 0.000 1.908 456 A HA -0.248 4.072 4.320 -0.000 0.000 0.218 456 A C 2.154 179.766 177.584 0.046 0.000 1.181 456 A CA 1.868 53.926 52.037 0.035 0.000 0.627 456 A CB -0.992 18.028 19.000 0.032 0.000 0.818 456 A HN 0.791 nan 8.150 nan 0.000 0.445 457 H N 0.023 119.085 119.070 -0.013 0.000 2.353 457 H HA -0.046 4.510 4.556 0.000 0.000 0.300 457 H C 2.207 177.527 175.328 -0.012 0.000 1.090 457 H CA 1.662 57.702 56.048 -0.013 0.000 1.327 457 H CB -0.214 29.538 29.762 -0.016 0.000 1.383 457 H HN 0.397 nan 8.280 nan 0.000 0.508 458 A N -0.082 122.748 122.820 0.017 0.000 2.019 458 A HA -0.140 4.180 4.320 -0.000 0.000 0.219 458 A C 2.700 180.239 177.584 -0.075 0.000 1.164 458 A CA 1.799 53.816 52.037 -0.033 0.000 0.644 458 A CB -0.624 18.396 19.000 0.034 0.000 0.805 458 A HN 0.511 nan 8.150 nan 0.000 0.449 459 S N -0.556 115.109 115.700 -0.058 0.000 2.370 459 S HA -0.054 4.416 4.470 -0.000 0.000 0.214 459 S C 1.792 176.351 174.600 -0.068 0.000 1.033 459 S CA 0.788 58.959 58.200 -0.049 0.000 0.941 459 S CB -0.354 62.832 63.200 -0.024 0.000 0.886 459 S HN 0.568 nan 8.310 nan 0.000 0.521 460 N N 1.309 119.969 118.700 -0.067 0.000 2.396 460 N HA 0.212 4.952 4.740 -0.000 0.000 0.180 460 N C 1.070 176.520 175.510 -0.099 0.000 1.028 460 N CA 1.012 54.024 53.050 -0.063 0.000 0.893 460 N CB -0.019 38.447 38.487 -0.035 0.000 0.967 460 N HN 0.634 nan 8.380 nan 0.000 0.440 461 G N 0.338 109.023 108.800 -0.193 0.000 2.378 461 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.198 461 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.198 461 G C 0.050 174.728 174.900 -0.369 0.000 1.223 461 G CA -0.035 44.910 45.100 -0.258 0.000 1.088 461 G HN 0.263 nan 8.290 nan 0.000 0.530 462 N N 0.432 119.028 118.700 -0.174 0.000 2.415 462 N HA 0.138 4.878 4.740 -0.000 0.000 0.174 462 N C 1.618 177.168 175.510 0.067 0.000 1.048 462 N CA 1.169 54.225 53.050 0.011 0.000 0.895 462 N CB 0.139 38.660 38.487 0.055 0.000 1.036 462 N HN 0.609 nan 8.380 nan 0.000 0.449 463 K N -0.653 119.757 120.400 0.015 0.000 2.399 463 K HA 0.378 4.698 4.320 -0.000 0.000 0.204 463 K C -0.540 176.068 176.600 0.013 0.000 1.023 463 K CA 0.010 56.308 56.287 0.019 0.000 1.127 463 K CB 0.333 32.837 32.500 0.008 0.000 0.856 463 K HN 0.016 nan 8.250 nan 0.000 0.514 464 C N 1.294 120.600 119.300 0.011 0.000 3.401 464 C HA 0.706 5.166 4.460 -0.000 0.000 0.204 464 C C 0.406 175.411 174.990 0.026 0.000 1.522 464 C CA -0.507 58.515 59.018 0.007 0.000 1.409 464 C CB -0.542 27.189 27.740 -0.015 0.000 1.967 464 C HN 0.662 nan 8.230 nan 0.000 0.496 465 A N 0.477 123.326 122.820 0.050 0.000 3.169 465 A HA 0.930 5.250 4.320 -0.000 0.000 0.146 465 A C 0.531 178.136 177.584 0.034 0.000 1.265 465 A CA 0.559 52.637 52.037 0.069 0.000 2.339 465 A CB -0.749 18.346 19.000 0.160 0.000 2.810 465 A HN 1.986 nan 8.150 nan 0.000 1.169 466 G N -1.369 107.450 108.800 0.031 0.000 2.960 466 G HA2 0.229 4.189 3.960 -0.000 0.000 0.267 466 G HA3 0.229 4.189 3.960 -0.000 0.000 0.267 466 G C -0.322 174.562 174.900 -0.027 0.000 1.492 466 G CA 0.209 45.299 45.100 -0.016 0.000 0.953 466 G HN 2.018 nan 8.290 nan 0.000 0.555 467 L N 0.085 121.278 121.223 -0.051 0.000 2.312 467 L HA 0.732 5.072 4.340 -0.000 0.000 0.281 467 L C 0.231 177.049 176.870 -0.086 0.000 1.070 467 L CA -0.829 53.976 54.840 -0.058 0.000 0.805 467 L CB 1.599 43.620 42.059 -0.064 0.000 1.174 467 L HN 0.674 nan 8.230 nan 0.000 0.434 468 N N 3.115 121.770 118.700 -0.074 0.000 2.800 468 N HA 0.232 4.972 4.740 -0.000 0.000 0.240 468 N C 0.658 176.109 175.510 -0.099 0.000 1.096 468 N CA -0.310 52.675 53.050 -0.108 0.000 0.877 468 N CB 0.942 39.402 38.487 -0.044 0.000 1.138 468 N HN 0.515 nan 8.380 nan 0.000 0.509 469 V N 2.526 122.326 119.914 -0.189 0.000 2.453 469 V HA -0.246 3.874 4.120 -0.000 0.000 0.252 469 V C 1.485 177.623 176.094 0.073 0.000 1.068 469 V CA 1.545 63.784 62.300 -0.101 0.000 1.070 469 V CB -0.815 30.914 31.823 -0.157 0.000 0.664 469 V HN 0.581 nan 8.190 nan 0.000 0.461 470 F N 1.179 121.127 119.950 -0.004 0.000 2.146 470 F HA -0.107 4.420 4.527 -0.000 0.000 0.298 470 F C 2.665 178.464 175.800 -0.003 0.000 1.096 470 F CA 1.773 59.771 58.000 -0.004 0.000 1.275 470 F CB -1.582 37.416 39.000 -0.004 0.000 1.008 470 F HN 0.383 nan 8.300 nan 0.000 0.480 471 T N -3.750 110.916 114.554 0.187 0.000 3.044 471 T HA 0.369 4.719 4.350 -0.000 0.000 0.250 471 T C 1.562 176.299 174.700 0.061 0.000 1.081 471 T CA 0.477 62.637 62.100 0.100 0.000 1.040 471 T CB -0.122 68.792 68.868 0.077 0.000 0.962 471 T HN 0.420 nan 8.240 nan 0.000 0.506 472 G N 1.192 110.024 108.800 0.052 0.000 2.295 472 G HA2 0.199 4.159 3.960 -0.000 0.000 0.287 472 G HA3 0.199 4.159 3.960 -0.000 0.000 0.287 472 G C 0.112 175.021 174.900 0.015 0.000 1.055 472 G CA -0.055 45.061 45.100 0.027 0.000 0.922 472 G HN 1.442 nan 8.290 nan 0.000 0.503 473 A N -1.699 121.127 122.820 0.011 0.000 2.608 473 A HA 0.943 5.263 4.320 -0.000 0.000 0.292 473 A C 0.309 177.895 177.584 0.002 0.000 1.066 473 A CA 0.048 52.090 52.037 0.008 0.000 0.676 473 A CB 0.881 19.889 19.000 0.013 0.000 1.277 473 A HN 1.942 nan 8.150 nan 0.000 0.413 474 V N -0.647 119.269 119.914 0.003 0.000 3.209 474 V HA 0.514 4.634 4.120 -0.000 0.000 0.305 474 V C 0.173 176.271 176.094 0.006 0.000 1.127 474 V CA 0.368 62.670 62.300 0.004 0.000 1.235 474 V CB 0.180 32.009 31.823 0.011 0.000 0.987 474 V HN 0.940 nan 8.190 nan 0.000 0.499 475 E N 0.679 120.882 120.200 0.006 0.000 2.296 475 E HA 0.384 4.734 4.350 -0.000 0.000 0.224 475 E C -1.412 175.194 176.600 0.010 0.000 0.949 475 E CA -0.598 55.807 56.400 0.008 0.000 0.879 475 E CB 0.821 30.526 29.700 0.008 0.000 1.922 475 E HN 0.877 nan 8.360 nan 0.000 0.437 476 D N 1.263 121.668 120.400 0.009 0.000 2.441 476 D HA 0.187 4.827 4.640 -0.000 0.000 0.231 476 D C 0.871 177.175 176.300 0.008 0.000 1.073 476 D CA -0.303 53.702 54.000 0.009 0.000 0.850 476 D CB 0.801 41.606 40.800 0.008 0.000 1.062 476 D HN 0.188 nan 8.370 nan 0.000 0.524 477 M N 1.946 121.551 119.600 0.007 0.000 2.108 477 M HA -0.146 4.334 4.480 -0.000 0.000 0.261 477 M C 2.281 178.584 176.300 0.005 0.000 1.066 477 M CA 0.860 56.161 55.300 0.001 0.000 1.107 477 M CB -1.094 31.507 32.600 0.001 0.000 1.356 477 M HN 0.547 nan 8.290 nan 0.000 0.406 478 C N 0.447 119.752 119.300 0.008 0.000 2.453 478 C HA -0.170 4.290 4.460 -0.000 0.000 0.277 478 C C 2.713 177.708 174.990 0.009 0.000 1.262 478 C CA 1.496 60.519 59.018 0.008 0.000 1.718 478 C CB -0.857 26.888 27.740 0.008 0.000 2.031 478 C HN 0.596 nan 8.230 nan 0.000 0.480 479 E N 1.153 121.358 120.200 0.009 0.000 2.118 479 E HA -0.157 4.193 4.350 -0.000 0.000 0.195 479 E C 1.611 178.219 176.600 0.014 0.000 0.992 479 E CA 1.681 58.087 56.400 0.010 0.000 0.804 479 E CB -0.374 29.332 29.700 0.010 0.000 0.741 479 E HN 0.632 nan 8.360 nan 0.000 0.458 480 N N -0.433 118.275 118.700 0.015 0.000 2.398 480 N HA 0.070 4.810 4.740 -0.000 0.000 0.188 480 N C 0.546 176.068 175.510 0.020 0.000 1.122 480 N CA 0.898 53.961 53.050 0.021 0.000 0.866 480 N CB 0.528 39.028 38.487 0.022 0.000 0.970 480 N HN 0.287 nan 8.380 nan 0.000 0.462 481 G N 0.540 109.348 108.800 0.014 0.000 2.283 481 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.280 481 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.280 481 G C -0.090 174.816 174.900 0.010 0.000 1.029 481 G CA 0.261 45.369 45.100 0.013 0.000 0.840 481 G HN 0.200 nan 8.290 nan 0.000 0.505 482 V N 1.064 120.979 119.914 0.002 0.000 2.222 482 V HA 0.477 4.597 4.120 -0.000 0.000 0.253 482 V C 0.792 176.877 176.094 -0.014 0.000 1.210 482 V CA 0.068 62.361 62.300 -0.012 0.000 1.079 482 V CB 0.540 32.343 31.823 -0.034 0.000 1.265 482 V HN 0.960 nan 8.190 nan 0.000 0.494 483 V N 1.912 121.822 119.914 -0.007 0.000 2.914 483 V HA 0.888 5.008 4.120 -0.000 0.000 0.314 483 V C -0.574 175.516 176.094 -0.007 0.000 1.084 483 V CA -0.850 61.446 62.300 -0.006 0.000 0.963 483 V CB 2.295 34.119 31.823 0.000 0.000 1.025 483 V HN 0.777 nan 8.190 nan 0.000 0.432 484 E N 2.151 122.347 120.200 -0.008 0.000 2.336 484 E HA 0.723 5.073 4.350 -0.000 0.000 0.267 484 E C -3.108 173.490 176.600 -0.002 0.000 0.906 484 E CA -2.474 53.922 56.400 -0.006 0.000 0.781 484 E CB 2.130 31.823 29.700 -0.012 0.000 1.261 484 E HN 0.494 nan 8.360 nan 0.000 0.436 485 P HA -0.032 nan 4.420 nan 0.000 0.269 485 P C 0.336 177.637 177.300 0.001 0.000 1.209 485 P CA -0.410 62.691 63.100 0.002 0.000 0.776 485 P CB 0.523 32.225 31.700 0.002 0.000 0.876 486 L N 3.404 124.630 121.223 0.004 0.000 2.093 486 L HA -0.106 4.234 4.340 -0.000 0.000 0.208 486 L C 2.202 179.076 176.870 0.006 0.000 1.085 486 L CA 1.714 56.557 54.840 0.005 0.000 0.755 486 L CB -0.628 41.436 42.059 0.008 0.000 0.904 486 L HN 0.268 nan 8.230 nan 0.000 0.435 487 R N -1.442 119.061 120.500 0.005 0.000 2.127 487 R HA -0.148 4.192 4.340 -0.000 0.000 0.238 487 R C 2.103 178.405 176.300 0.004 0.000 1.134 487 R CA 1.415 57.518 56.100 0.005 0.000 0.975 487 R CB -0.597 29.706 30.300 0.005 0.000 0.865 487 R HN 0.293 nan 8.270 nan 0.000 0.447 488 V N 1.361 121.276 119.914 0.002 0.000 2.255 488 V HA -0.272 3.848 4.120 -0.000 0.000 0.247 488 V C 2.289 178.382 176.094 -0.001 0.000 1.051 488 V CA 1.710 64.010 62.300 -0.001 0.000 1.018 488 V CB -0.332 31.489 31.823 -0.004 0.000 0.641 488 V HN 0.221 nan 8.190 nan 0.000 0.445 489 K N -0.263 120.137 120.400 -0.001 0.000 2.103 489 K HA -0.060 4.259 4.320 -0.000 0.000 0.204 489 K C 2.233 178.838 176.600 0.008 0.000 1.052 489 K CA 1.567 57.854 56.287 -0.001 0.000 0.945 489 K CB -0.704 31.795 32.500 -0.002 0.000 0.722 489 K HN 0.501 nan 8.250 nan 0.000 0.443 490 T N 1.342 115.903 114.554 0.011 0.000 2.737 490 T HA -0.154 4.196 4.350 -0.000 0.000 0.265 490 T C 1.928 176.638 174.700 0.017 0.000 1.038 490 T CA 1.434 63.544 62.100 0.017 0.000 1.144 490 T CB -0.074 68.803 68.868 0.015 0.000 0.866 490 T HN 0.157 nan 8.240 nan 0.000 0.434 491 Q N 1.315 121.122 119.800 0.012 0.000 2.079 491 Q HA 0.119 4.459 4.340 -0.000 0.000 0.200 491 Q C 2.312 178.319 176.000 0.012 0.000 0.974 491 Q CA 1.665 57.475 55.803 0.012 0.000 0.840 491 Q CB -0.741 28.002 28.738 0.008 0.000 0.898 491 Q HN 0.471 nan 8.270 nan 0.000 0.430 492 A N 0.402 123.227 122.820 0.008 0.000 1.892 492 A HA -0.204 4.116 4.320 -0.000 0.000 0.218 492 A C 2.145 179.735 177.584 0.010 0.000 1.188 492 A CA 1.781 53.820 52.037 0.003 0.000 0.631 492 A CB -0.878 18.119 19.000 -0.005 0.000 0.822 492 A HN 0.489 nan 8.150 nan 0.000 0.447 493 I N -1.086 119.496 120.570 0.020 0.000 2.202 493 I HA -0.274 3.896 4.170 -0.000 0.000 0.242 493 I C 2.783 178.932 176.117 0.052 0.000 1.091 493 I CA 1.776 63.102 61.300 0.043 0.000 1.368 493 I CB -0.347 37.694 38.000 0.067 0.000 1.058 493 I HN 0.439 nan 8.210 nan 0.000 0.410 494 Q N 1.101 120.924 119.800 0.039 0.000 1.975 494 Q HA -0.191 4.149 4.340 -0.000 0.000 0.205 494 Q C 2.295 178.315 176.000 0.034 0.000 0.990 494 Q CA 2.630 58.454 55.803 0.036 0.000 0.845 494 Q CB -0.375 28.378 28.738 0.025 0.000 0.913 494 Q HN 0.327 nan 8.270 nan 0.000 0.420 495 S N 0.192 115.907 115.700 0.025 0.000 2.383 495 S HA -0.159 4.311 4.470 -0.000 0.000 0.229 495 S C 1.897 176.512 174.600 0.024 0.000 1.030 495 S CA 0.987 59.200 58.200 0.021 0.000 1.002 495 S CB -0.666 62.543 63.200 0.014 0.000 0.829 495 S HN 0.587 nan 8.310 nan 0.000 0.467 496 A N 1.547 124.381 122.820 0.024 0.000 1.877 496 A HA 0.100 4.420 4.320 -0.000 0.000 0.216 496 A C 2.362 179.971 177.584 0.041 0.000 1.186 496 A CA 1.725 53.775 52.037 0.021 0.000 0.620 496 A CB -1.079 17.924 19.000 0.005 0.000 0.822 496 A HN 0.524 nan 8.150 nan 0.000 0.443 497 A N -0.319 122.539 122.820 0.065 0.000 1.930 497 A HA -0.124 4.196 4.320 -0.000 0.000 0.217 497 A C 1.885 179.518 177.584 0.081 0.000 1.175 497 A CA 1.512 53.608 52.037 0.099 0.000 0.627 497 A CB -0.502 18.572 19.000 0.123 0.000 0.815 497 A HN 0.625 nan 8.150 nan 0.000 0.443 498 E N 0.054 120.289 120.200 0.058 0.000 2.153 498 E HA -0.108 4.242 4.350 -0.000 0.000 0.194 498 E C 2.164 178.791 176.600 0.044 0.000 0.988 498 E CA 1.241 57.669 56.400 0.047 0.000 0.811 498 E CB -0.093 29.627 29.700 0.034 0.000 0.746 498 E HN 0.605 nan 8.360 nan 0.000 0.466 499 S N 0.182 115.907 115.700 0.041 0.000 2.377 499 S HA -0.084 4.386 4.470 -0.000 0.000 0.223 499 S C 2.107 176.735 174.600 0.047 0.000 1.030 499 S CA 1.146 59.368 58.200 0.036 0.000 0.970 499 S CB -0.159 63.057 63.200 0.027 0.000 0.830 499 S HN 0.255 nan 8.310 nan 0.000 0.473 500 T N 1.976 116.567 114.554 0.063 0.000 2.788 500 T HA -0.085 4.265 4.350 -0.000 0.000 0.268 500 T C 1.786 176.545 174.700 0.098 0.000 1.044 500 T CA 1.049 63.202 62.100 0.087 0.000 1.139 500 T CB -0.236 68.704 68.868 0.121 0.000 0.867 500 T HN 0.329 nan 8.240 nan 0.000 0.454 501 E N 1.015 121.271 120.200 0.093 0.000 2.150 501 E HA -0.119 4.231 4.350 -0.000 0.000 0.193 501 E C 2.155 178.788 176.600 0.055 0.000 0.985 501 E CA 0.709 57.157 56.400 0.080 0.000 0.814 501 E CB -0.258 29.484 29.700 0.070 0.000 0.752 501 E HN 0.341 nan 8.360 nan 0.000 0.466 502 M N 0.653 120.281 119.600 0.047 0.000 2.117 502 M HA -0.152 4.328 4.480 -0.000 0.000 0.262 502 M C 2.143 178.464 176.300 0.035 0.000 1.065 502 M CA 1.179 56.501 55.300 0.036 0.000 1.114 502 M CB -0.491 32.127 32.600 0.031 0.000 1.361 502 M HN 0.127 nan 8.290 nan 0.000 0.408 503 L N -0.108 121.139 121.223 0.040 0.000 2.056 503 L HA -0.202 4.138 4.340 -0.000 0.000 0.207 503 L C 2.463 179.356 176.870 0.037 0.000 1.078 503 L CA 0.852 55.714 54.840 0.036 0.000 0.749 503 L CB -0.747 41.335 42.059 0.039 0.000 0.901 503 L HN 0.294 nan 8.230 nan 0.000 0.433 504 L N -0.378 120.873 121.223 0.048 0.000 2.191 504 L HA -0.192 4.148 4.340 -0.000 0.000 0.212 504 L C 2.770 179.659 176.870 0.031 0.000 1.103 504 L CA 0.989 55.854 54.840 0.041 0.000 0.769 504 L CB -0.426 41.664 42.059 0.052 0.000 0.908 504 L HN 0.261 nan 8.230 nan 0.000 0.438 505 R N 0.570 121.090 120.500 0.033 0.000 2.148 505 R HA -0.013 4.327 4.340 -0.000 0.000 0.223 505 R C 0.768 177.084 176.300 0.026 0.000 1.088 505 R CA 0.312 56.430 56.100 0.030 0.000 0.985 505 R CB -0.010 30.307 30.300 0.028 0.000 0.880 505 R HN 0.228 nan 8.270 nan 0.000 0.451 506 I N 2.166 122.751 120.570 0.024 0.000 2.517 506 I HA -0.055 4.115 4.170 -0.000 0.000 0.285 506 I C 0.000 176.128 176.117 0.018 0.000 1.106 506 I CA 0.478 61.791 61.300 0.021 0.000 1.402 506 I CB 0.962 38.975 38.000 0.021 0.000 1.399 506 I HN 0.101 nan 8.210 nan 0.000 0.535 507 D N 4.169 124.579 120.400 0.017 0.000 2.535 507 D HA 0.146 4.786 4.640 -0.000 0.000 0.229 507 D C -0.498 175.810 176.300 0.013 0.000 1.238 507 D CA 0.244 54.251 54.000 0.011 0.000 0.824 507 D CB 0.684 41.490 40.800 0.010 0.000 1.045 507 D HN 0.466 nan 8.370 nan 0.000 0.500 508 D N 0.475 120.886 120.400 0.018 0.000 2.931 508 D HA 0.184 4.824 4.640 -0.000 0.000 0.215 508 D C -1.445 174.872 176.300 0.027 0.000 1.297 508 D CA -0.421 53.593 54.000 0.023 0.000 0.892 508 D CB 2.064 42.876 40.800 0.020 0.000 1.642 508 D HN -0.322 nan 8.370 nan 0.000 0.560 509 V N 5.012 124.947 119.914 0.036 0.000 2.443 509 V HA 0.516 4.636 4.120 -0.000 0.000 0.293 509 V C 0.028 176.156 176.094 0.057 0.000 1.021 509 V CA -0.568 61.758 62.300 0.042 0.000 0.848 509 V CB 1.586 33.434 31.823 0.041 0.000 0.998 509 V HN 0.519 nan 8.190 nan 0.000 0.424 510 I N 4.539 125.139 120.570 0.049 0.000 2.437 510 I HA 0.668 4.838 4.170 -0.000 0.000 0.279 510 I C 0.223 176.370 176.117 0.050 0.000 1.028 510 I CA -0.402 60.929 61.300 0.052 0.000 1.142 510 I CB 1.608 39.629 38.000 0.035 0.000 1.266 510 I HN 0.660 nan 8.210 nan 0.000 0.461 511 A N 5.146 128.008 122.820 0.070 0.000 2.287 511 A HA 0.859 5.179 4.320 -0.000 0.000 0.317 511 A C 0.298 177.910 177.584 0.048 0.000 1.220 511 A CA -0.437 51.632 52.037 0.053 0.000 0.835 511 A CB 0.963 19.994 19.000 0.053 0.000 1.180 511 A HN 0.744 nan 8.150 nan 0.000 0.500 512 A N 1.983 124.817 122.820 0.023 0.000 2.429 512 A HA 0.468 4.788 4.320 -0.000 0.000 0.242 512 A C 0.615 178.200 177.584 0.002 0.000 1.088 512 A CA 0.176 52.220 52.037 0.012 0.000 0.784 512 A CB -0.020 18.983 19.000 0.005 0.000 1.038 512 A HN 0.946 nan 8.150 nan 0.000 0.501 513 E N 0.000 120.198 120.200 -0.003 0.000 2.725 513 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 513 E CA 0.000 56.392 56.400 -0.014 0.000 0.976 513 E CB 0.000 29.693 29.700 -0.011 0.000 0.812 513 E HN 0.000 nan 8.360 nan 0.000 0.440