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 3kzb_1_A DATA FIRST_RESID 0 DATA SEQUENCE SLAFYIATFD IGTTEVKAAL ADRDGGLHFQ RSIALETYGD GNGPVEQDAG DATA SEQUENCE DWYDAVQRIA SSWWQSGVDA RRVSAIVLSG QXQNFLPLDQ DHEPLHRAVL DATA SEQUENCE YSDKRPLKEA EEINARHGAD NLWSALENPX TAASILPKLV FWRASFPQAF DATA SEQUENCE GRLRHVVLGA KDYVVLRLTG RHATDRTNAS TTGLYRPKDD AWHVELLADY DATA SEQUENCE GFSLDLXPRL LEPGEQVGGV SALAARQTGF VSGTPVLCGL GDAGAATLGV DATA SEQUENCE GVLDDEDAYL HLGTTGWLAR LTQTDPVGDX PVGTIFRLAG IIAGKTLQVA DATA SEQUENCE PVLNAGNILQ WALTLVGHRP GEDCAEYFHX AAAEVQGVTV PDGLLFVPYL DATA SEQUENCE HAERCPVELP APRGALLGVT GATTRAQILL AVLEGAALSL RWCAELLGXE DATA SEQUENCE KVGLLKVVGG GARSEAWLRX IADNLNVSLL VKPDAHLHPL RGLAALAAVE DATA SEQUENCE LEWSHSIQDF LREADLREXX SNILHPQPCD EGRRRRKFER FKQCVETLGR 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 0 S HA 0.000 nan 4.470 nan 0.000 0.327 0 S C 0.000 174.609 174.600 0.015 0.000 1.055 0 S CA 0.000 58.209 58.200 0.015 0.000 1.107 0 S CB 0.000 63.201 63.200 0.002 0.000 0.593 1 L N 0.442 121.692 121.223 0.045 0.000 2.424 1 L HA 0.830 5.118 4.340 -0.087 0.000 0.258 1 L C 0.020 176.867 176.870 -0.039 0.000 0.995 1 L CA -1.062 53.768 54.840 -0.016 0.000 0.821 1 L CB 2.132 44.156 42.059 -0.058 0.000 1.383 1 L HN 1.108 nan 8.230 nan 0.000 0.410 2 A N 1.394 124.102 122.820 -0.185 0.000 2.409 2 A HA 0.624 4.892 4.320 -0.087 0.000 0.262 2 A C -1.051 176.162 177.584 -0.618 0.000 1.113 2 A CA 0.191 52.010 52.037 -0.364 0.000 0.790 2 A CB -0.118 18.603 19.000 -0.464 0.000 1.046 2 A HN 0.399 nan 8.150 nan 0.000 0.496 3 F N 0.698 120.322 119.950 -0.544 0.000 2.507 3 F HA 0.699 5.174 4.527 -0.087 0.000 0.327 3 F C -0.346 175.250 175.800 -0.339 0.000 1.068 3 F CA -0.083 57.729 58.000 -0.314 0.000 0.965 3 F CB 1.744 40.717 39.000 -0.045 0.000 1.192 3 F HN 0.529 nan 8.300 nan 0.000 0.476 4 Y N 0.966 121.554 120.300 0.480 0.000 2.588 4 Y HA 0.623 5.122 4.550 -0.087 0.000 0.343 4 Y C -0.740 175.384 175.900 0.373 0.000 1.065 4 Y CA -1.273 57.076 58.100 0.416 0.000 1.038 4 Y CB 1.543 40.100 38.460 0.161 0.000 1.297 4 Y HN 0.252 nan 8.280 nan 0.000 0.467 5 I N 2.077 122.905 120.570 0.430 0.000 2.339 5 I HA 0.556 4.674 4.170 -0.087 0.000 0.290 5 I C -0.171 176.033 176.117 0.145 0.000 0.994 5 I CA -0.828 60.572 61.300 0.166 0.000 1.191 5 I CB 1.411 39.410 38.000 -0.002 0.000 1.343 5 I HN 0.736 nan 8.210 nan 0.000 0.458 6 A N 4.984 127.908 122.820 0.173 0.000 2.395 6 A HA 0.505 4.773 4.320 -0.087 0.000 0.286 6 A C 0.333 178.029 177.584 0.186 0.000 1.193 6 A CA -0.213 51.949 52.037 0.208 0.000 0.852 6 A CB -0.310 19.041 19.000 0.585 0.000 1.118 6 A HN 0.723 nan 8.150 nan 0.000 0.524 7 T N 0.080 114.647 114.554 0.022 0.000 2.855 7 T HA 0.784 5.082 4.350 -0.087 0.000 0.281 7 T C -0.638 173.971 174.700 -0.152 0.000 1.007 7 T CA -0.475 61.650 62.100 0.043 0.000 1.009 7 T CB 0.744 69.632 68.868 0.034 0.000 0.983 7 T HN 0.295 nan 8.240 nan 0.000 0.455 8 F N 0.675 120.701 119.950 0.127 0.000 2.588 8 F HA 0.564 5.039 4.527 -0.087 0.000 0.310 8 F C -0.405 175.422 175.800 0.045 0.000 1.082 8 F CA -1.003 57.057 58.000 0.099 0.000 0.929 8 F CB 2.375 41.426 39.000 0.086 0.000 1.254 8 F HN 0.608 nan 8.300 nan 0.000 0.455 9 D N 2.239 122.764 120.400 0.209 0.000 2.481 9 D HA 0.382 4.970 4.640 -0.087 0.000 0.246 9 D C -0.955 175.383 176.300 0.063 0.000 1.109 9 D CA -0.339 53.722 54.000 0.101 0.000 0.845 9 D CB 1.018 41.861 40.800 0.071 0.000 1.160 9 D HN 0.242 nan 8.370 nan 0.000 0.534 10 I N 4.065 124.614 120.570 -0.034 0.000 2.243 10 I HA 0.333 4.451 4.170 -0.087 0.000 0.297 10 I C 1.262 177.260 176.117 -0.199 0.000 1.161 10 I CA -0.281 60.922 61.300 -0.161 0.000 1.298 10 I CB -0.220 37.550 38.000 -0.383 0.000 1.475 10 I HN 0.328 nan 8.210 nan 0.000 0.561 11 G N 3.472 112.224 108.800 -0.081 0.000 2.543 11 G HA2 0.344 4.252 3.960 -0.087 0.000 0.290 11 G HA3 0.344 4.252 3.960 -0.087 0.000 0.290 11 G C 1.062 175.950 174.900 -0.020 0.000 1.310 11 G CA 0.294 45.365 45.100 -0.049 0.000 1.025 11 G HN 0.532 nan 8.290 nan 0.000 0.502 12 T N -3.487 111.084 114.554 0.028 0.000 2.857 12 T HA -0.125 4.173 4.350 -0.087 0.000 0.266 12 T C 2.038 176.798 174.700 0.100 0.000 1.048 12 T CA 2.216 64.370 62.100 0.090 0.000 1.139 12 T CB -0.448 68.505 68.868 0.141 0.000 0.874 12 T HN 0.716 nan 8.240 nan 0.000 0.455 13 T N -0.929 113.673 114.554 0.080 0.000 2.985 13 T HA 0.306 4.604 4.350 -0.087 0.000 0.254 13 T C 0.297 175.035 174.700 0.063 0.000 1.021 13 T CA -0.195 61.946 62.100 0.068 0.000 0.957 13 T CB 0.025 68.927 68.868 0.058 0.000 1.047 13 T HN 0.792 nan 8.240 nan 0.000 0.511 14 E N -0.082 120.157 120.200 0.065 0.000 2.429 14 E HA 0.488 4.786 4.350 -0.087 0.000 0.280 14 E C -2.058 174.583 176.600 0.068 0.000 1.068 14 E CA -1.052 55.386 56.400 0.064 0.000 0.837 14 E CB 1.527 31.252 29.700 0.042 0.000 1.357 14 E HN -0.024 nan 8.360 nan 0.000 0.455 15 V N 1.865 121.826 119.914 0.080 0.000 2.347 15 V HA 0.351 4.419 4.120 -0.087 0.000 0.280 15 V C -0.210 175.940 176.094 0.093 0.000 1.021 15 V CA -0.716 61.643 62.300 0.099 0.000 0.847 15 V CB 1.132 33.035 31.823 0.134 0.000 0.990 15 V HN 0.452 nan 8.190 nan 0.000 0.444 16 K N 3.463 123.923 120.400 0.101 0.000 2.123 16 K HA 0.931 5.199 4.320 -0.087 0.000 0.259 16 K C -0.308 176.334 176.600 0.071 0.000 0.960 16 K CA -0.382 55.957 56.287 0.087 0.000 0.872 16 K CB 2.509 35.073 32.500 0.108 0.000 1.079 16 K HN 0.772 nan 8.250 nan 0.000 0.440 17 A N 0.384 123.216 122.820 0.019 0.000 2.612 17 A HA 0.842 5.110 4.320 -0.087 0.000 0.293 17 A C -1.754 175.882 177.584 0.087 0.000 1.075 17 A CA -0.378 51.598 52.037 -0.101 0.000 0.680 17 A CB 1.839 20.583 19.000 -0.427 0.000 1.279 17 A HN 0.725 nan 8.150 nan 0.000 0.411 18 A N 0.161 123.049 122.820 0.115 0.000 2.599 18 A HA 0.657 4.925 4.320 -0.087 0.000 0.294 18 A C -1.774 175.778 177.584 -0.054 0.000 1.055 18 A CA -0.459 51.660 52.037 0.136 0.000 0.683 18 A CB 0.593 19.628 19.000 0.057 0.000 1.278 18 A HN 1.081 nan 8.150 nan 0.000 0.412 19 L N 1.557 122.641 121.223 -0.231 0.000 2.264 19 L HA 0.622 4.910 4.340 -0.087 0.000 0.289 19 L C 0.620 177.538 176.870 0.080 0.000 1.044 19 L CA -0.399 54.262 54.840 -0.299 0.000 0.807 19 L CB 1.613 43.191 42.059 -0.802 0.000 1.192 19 L HN 0.868 nan 8.230 nan 0.000 0.425 20 A N 2.632 125.595 122.820 0.238 0.000 2.260 20 A HA 0.489 4.757 4.320 -0.087 0.000 0.308 20 A C -0.409 177.528 177.584 0.589 0.000 1.254 20 A CA -0.782 51.465 52.037 0.349 0.000 0.874 20 A CB 0.328 19.495 19.000 0.279 0.000 1.153 20 A HN 0.762 nan 8.150 nan 0.000 0.527 21 D N 1.445 122.183 120.400 0.563 0.000 2.447 21 D HA 0.139 4.727 4.640 -0.087 0.000 0.265 21 D C 1.190 177.723 176.300 0.388 0.000 1.250 21 D CA -0.435 53.815 54.000 0.418 0.000 1.046 21 D CB 0.378 41.372 40.800 0.323 0.000 1.095 21 D HN 0.547 nan 8.370 nan 0.000 0.555 22 R N -1.007 119.529 120.500 0.059 0.000 2.236 22 R HA 0.021 4.309 4.340 -0.087 0.000 0.208 22 R C 0.007 176.414 176.300 0.178 0.000 1.036 22 R CA 0.643 56.812 56.100 0.115 0.000 1.001 22 R CB -0.261 29.760 30.300 -0.465 0.000 0.896 22 R HN 0.278 nan 8.270 nan 0.000 0.464 23 D N 0.548 120.982 120.400 0.058 0.000 2.340 23 D HA 0.096 4.684 4.640 -0.087 0.000 0.220 23 D C 0.799 177.012 176.300 -0.145 0.000 1.039 23 D CA 0.958 54.925 54.000 -0.054 0.000 0.866 23 D CB 0.867 41.652 40.800 -0.025 0.000 0.913 23 D HN 0.557 nan 8.370 nan 0.000 0.523 24 G N 0.650 109.408 108.800 -0.070 0.000 2.141 24 G HA2 -0.187 3.721 3.960 -0.087 0.000 0.242 24 G HA3 -0.187 3.721 3.960 -0.087 0.000 0.242 24 G C 0.697 175.595 174.900 -0.003 0.000 0.982 24 G CA -0.114 44.920 45.100 -0.110 0.000 0.662 24 G HN 0.545 nan 8.290 nan 0.000 0.527 25 G N -0.324 108.489 108.800 0.021 0.000 2.390 25 G HA2 0.581 4.489 3.960 -0.087 0.000 0.270 25 G HA3 0.581 4.489 3.960 -0.087 0.000 0.270 25 G C 0.001 174.706 174.900 -0.325 0.000 1.211 25 G CA -0.557 44.447 45.100 -0.160 0.000 0.842 25 G HN 0.644 nan 8.290 nan 0.000 0.519 26 L N 3.593 124.547 121.223 -0.449 0.000 2.294 26 L HA 0.401 4.689 4.340 -0.087 0.000 0.283 26 L C -0.249 176.347 176.870 -0.457 0.000 1.015 26 L CA -0.841 53.812 54.840 -0.311 0.000 0.831 26 L CB 1.057 43.048 42.059 -0.114 0.000 1.217 26 L HN 0.510 nan 8.230 nan 0.000 0.420 27 H N 3.415 122.475 119.070 -0.017 0.000 2.710 27 H HA 0.389 4.894 4.556 -0.086 0.000 0.361 27 H C -0.170 175.112 175.328 -0.076 0.000 1.175 27 H CA -0.956 54.995 56.048 -0.161 0.000 1.206 27 H CB 1.609 31.229 29.762 -0.237 0.000 1.750 27 H HN 0.453 nan 8.280 nan 0.000 0.553 28 F N -0.368 119.604 119.950 0.037 0.000 2.969 28 F HA -0.245 4.230 4.527 -0.087 0.000 0.273 28 F C 0.470 176.409 175.800 0.230 0.000 0.986 28 F CA 0.249 58.291 58.000 0.071 0.000 0.926 28 F CB -1.846 37.058 39.000 -0.159 0.000 0.887 28 F HN 0.387 nan 8.300 nan 0.000 0.816 29 Q N 1.197 121.129 119.800 0.219 0.000 2.337 29 Q HA 0.471 4.759 4.340 -0.087 0.000 0.270 29 Q C 0.499 176.598 176.000 0.165 0.000 1.002 29 Q CA -0.183 55.730 55.803 0.182 0.000 0.888 29 Q CB 1.054 29.854 28.738 0.103 0.000 1.222 29 Q HN 0.217 nan 8.270 nan 0.000 0.400 30 R N 0.806 121.377 120.500 0.119 0.000 2.837 30 R HA 0.615 4.903 4.340 -0.087 0.000 0.271 30 R C -1.107 175.198 176.300 0.009 0.000 0.993 30 R CA -0.755 55.358 56.100 0.022 0.000 0.931 30 R CB 2.262 32.496 30.300 -0.109 0.000 1.206 30 R HN 0.599 nan 8.270 nan 0.000 0.474 31 S N 1.817 117.510 115.700 -0.012 0.000 2.614 31 S HA 0.621 5.039 4.470 -0.087 0.000 0.275 31 S C -1.229 173.365 174.600 -0.011 0.000 1.161 31 S CA -0.711 57.487 58.200 -0.003 0.000 0.969 31 S CB 0.573 63.766 63.200 -0.012 0.000 1.059 31 S HN 0.384 nan 8.310 nan 0.000 0.482 32 I N 3.648 124.222 120.570 0.007 0.000 2.436 32 I HA 0.541 4.659 4.170 -0.087 0.000 0.289 32 I C 0.502 176.638 176.117 0.031 0.000 1.010 32 I CA -0.812 60.494 61.300 0.009 0.000 1.098 32 I CB 1.114 39.119 38.000 0.009 0.000 1.266 32 I HN 0.753 nan 8.210 nan 0.000 0.434 33 A N 7.461 130.295 122.820 0.023 0.000 2.354 33 A HA 0.743 5.011 4.320 -0.087 0.000 0.269 33 A C -0.351 177.259 177.584 0.044 0.000 1.109 33 A CA -0.315 51.740 52.037 0.029 0.000 0.800 33 A CB 0.620 19.628 19.000 0.013 0.000 1.045 33 A HN 0.719 nan 8.150 nan 0.000 0.489 34 L N 1.291 122.549 121.223 0.058 0.000 2.334 34 L HA 0.475 4.763 4.340 -0.087 0.000 0.273 34 L C 0.433 177.306 176.870 0.004 0.000 1.013 34 L CA -0.464 54.419 54.840 0.072 0.000 0.816 34 L CB 1.772 43.930 42.059 0.165 0.000 1.278 34 L HN 0.852 nan 8.230 nan 0.000 0.431 35 E N 0.626 120.791 120.200 -0.058 0.000 2.277 35 E HA 0.395 4.693 4.350 -0.087 0.000 0.274 35 E C -1.194 175.193 176.600 -0.355 0.000 1.022 35 E CA -0.442 55.823 56.400 -0.225 0.000 0.853 35 E CB 1.443 30.957 29.700 -0.310 0.000 1.086 35 E HN 0.509 nan 8.360 nan 0.000 0.397 36 T N 2.818 117.124 114.554 -0.415 0.000 2.856 36 T HA 0.393 4.691 4.350 -0.087 0.000 0.283 36 T C -1.295 173.107 174.700 -0.497 0.000 1.008 36 T CA -0.476 61.420 62.100 -0.340 0.000 0.997 36 T CB 0.401 69.216 68.868 -0.089 0.000 0.992 36 T HN 0.264 nan 8.240 nan 0.000 0.454 37 Y N 0.189 120.505 120.300 0.027 0.000 2.446 37 Y HA 0.644 5.143 4.550 -0.086 0.000 0.338 37 Y C 1.270 177.190 175.900 0.032 0.000 1.055 37 Y CA -0.224 57.888 58.100 0.021 0.000 1.101 37 Y CB 2.008 40.468 38.460 0.001 0.000 1.221 37 Y HN 0.899 nan 8.280 nan 0.000 0.460 38 G N 0.319 109.232 108.800 0.190 0.000 2.421 38 G HA2 -0.222 3.686 3.960 -0.087 0.000 0.188 38 G HA3 -0.222 3.686 3.960 -0.087 0.000 0.188 38 G C -0.037 174.916 174.900 0.088 0.000 1.001 38 G CA -0.175 45.000 45.100 0.125 0.000 0.693 38 G HN 0.671 nan 8.290 nan 0.000 0.479 39 D N -0.498 119.946 120.400 0.073 0.000 2.882 39 D HA -0.179 4.409 4.640 -0.087 0.000 0.229 39 D C 1.720 178.050 176.300 0.050 0.000 1.167 39 D CA 2.534 56.568 54.000 0.056 0.000 0.759 39 D CB -1.560 39.276 40.800 0.061 0.000 1.088 39 D HN 2.090 nan 8.370 nan 0.000 0.425 40 G N 0.142 108.969 108.800 0.045 0.000 2.203 40 G HA2 -0.385 3.523 3.960 -0.087 0.000 0.263 40 G HA3 -0.385 3.523 3.960 -0.087 0.000 0.263 40 G C 0.662 175.587 174.900 0.042 0.000 1.012 40 G CA 0.501 45.625 45.100 0.039 0.000 0.749 40 G HN 0.447 nan 8.290 nan 0.000 0.512 41 N N 0.319 119.048 118.700 0.048 0.000 2.268 41 N HA 0.364 5.052 4.740 -0.087 0.000 0.204 41 N C 1.717 177.255 175.510 0.046 0.000 1.124 41 N CA 1.414 54.493 53.050 0.049 0.000 0.838 41 N CB 0.585 39.105 38.487 0.056 0.000 0.994 41 N HN 1.177 nan 8.380 nan 0.000 0.489 42 G N 0.323 109.145 108.800 0.037 0.000 3.736 42 G HA2 -0.162 3.746 3.960 -0.087 0.000 0.196 42 G HA3 -0.162 3.746 3.960 -0.087 0.000 0.196 42 G C -2.536 172.377 174.900 0.021 0.000 1.811 42 G CA -0.629 44.486 45.100 0.024 0.000 1.175 42 G HN 0.216 nan 8.290 nan 0.000 0.429 43 P HA 0.544 nan 4.420 nan 0.000 0.271 43 P C -0.538 176.804 177.300 0.071 0.000 1.216 43 P CA 0.030 63.179 63.100 0.082 0.000 0.776 43 P CB 1.758 33.537 31.700 0.131 0.000 0.881 44 V N 3.461 123.416 119.914 0.070 0.000 2.439 44 V HA 0.291 4.359 4.120 -0.087 0.000 0.277 44 V C -0.133 176.028 176.094 0.112 0.000 1.008 44 V CA -0.347 61.993 62.300 0.067 0.000 0.846 44 V CB 0.841 32.667 31.823 0.004 0.000 1.031 44 V HN 0.516 nan 8.190 nan 0.000 0.441 45 E N 3.318 123.610 120.200 0.153 0.000 2.336 45 E HA 0.770 5.068 4.350 -0.087 0.000 0.267 45 E C -1.274 175.457 176.600 0.217 0.000 0.906 45 E CA -0.994 55.508 56.400 0.171 0.000 0.781 45 E CB 2.903 32.696 29.700 0.154 0.000 1.261 45 E HN 0.613 nan 8.360 nan 0.000 0.436 46 Q N 0.470 120.355 119.800 0.141 0.000 2.456 46 Q HA 0.299 4.587 4.340 -0.087 0.000 0.284 46 Q C -1.480 174.416 176.000 -0.174 0.000 1.061 46 Q CA -0.974 54.888 55.803 0.099 0.000 0.799 46 Q CB 2.181 30.995 28.738 0.126 0.000 1.445 46 Q HN 0.391 nan 8.270 nan 0.000 0.411 47 D N 1.156 121.436 120.400 -0.199 0.000 2.325 47 D HA 0.175 4.763 4.640 -0.087 0.000 0.251 47 D C 0.500 176.339 176.300 -0.769 0.000 1.196 47 D CA 0.106 53.872 54.000 -0.390 0.000 0.866 47 D CB 1.698 42.364 40.800 -0.224 0.000 1.101 47 D HN 0.723 nan 8.370 nan 0.000 0.476 48 A N 3.151 125.349 122.820 -1.037 0.000 1.978 48 A HA -0.132 4.136 4.320 -0.087 0.000 0.220 48 A C 2.134 179.240 177.584 -0.796 0.000 1.170 48 A CA 1.820 52.891 52.037 -1.611 0.000 0.636 48 A CB -0.589 17.422 19.000 -1.648 0.000 0.810 48 A HN 0.625 nan 8.150 nan 0.000 0.448 49 G N -0.235 108.333 108.800 -0.387 0.000 2.462 49 G HA2 -0.245 3.663 3.960 -0.087 0.000 0.220 49 G HA3 -0.245 3.663 3.960 -0.087 0.000 0.220 49 G C 1.029 175.959 174.900 0.050 0.000 1.121 49 G CA 1.198 46.310 45.100 0.021 0.000 0.758 49 G HN 0.486 nan 8.290 nan 0.000 0.559 50 D N 0.087 120.412 120.400 -0.125 0.000 2.144 50 D HA -0.095 4.493 4.640 -0.087 0.000 0.199 50 D C 2.094 178.487 176.300 0.155 0.000 0.984 50 D CA 0.621 54.608 54.000 -0.021 0.000 0.834 50 D CB -0.194 40.566 40.800 -0.066 0.000 0.955 50 D HN 0.438 nan 8.370 nan 0.000 0.465 51 W N 0.291 121.672 121.300 0.135 0.000 2.355 51 W HA -0.149 4.459 4.660 -0.087 0.000 0.309 51 W C 2.344 178.963 176.519 0.166 0.000 1.206 51 W CA 0.212 57.644 57.345 0.145 0.000 1.284 51 W CB -1.671 27.902 29.460 0.187 0.000 1.145 51 W HN 0.092 nan 8.180 nan 0.000 0.502 52 Y N 1.680 122.174 120.300 0.324 0.000 2.263 52 Y HA -0.201 4.297 4.550 -0.087 0.000 0.292 52 Y C 2.264 178.208 175.900 0.073 0.000 1.130 52 Y CA 2.021 60.201 58.100 0.135 0.000 1.179 52 Y CB -0.940 37.576 38.460 0.093 0.000 0.998 52 Y HN -0.020 nan 8.280 nan 0.000 0.532 53 D N -0.233 120.219 120.400 0.087 0.000 2.133 53 D HA -0.230 4.358 4.640 -0.087 0.000 0.195 53 D C 2.191 178.450 176.300 -0.068 0.000 0.997 53 D CA 1.659 55.639 54.000 -0.034 0.000 0.840 53 D CB -0.276 40.538 40.800 0.024 0.000 0.947 53 D HN 0.386 nan 8.370 nan 0.000 0.452 54 A N -0.242 122.587 122.820 0.014 0.000 1.877 54 A HA -0.102 4.166 4.320 -0.087 0.000 0.216 54 A C 2.545 180.095 177.584 -0.058 0.000 1.186 54 A CA 1.607 53.648 52.037 0.006 0.000 0.620 54 A CB -0.911 18.146 19.000 0.095 0.000 0.822 54 A HN 0.213 nan 8.150 nan 0.000 0.443 55 V N 0.211 120.072 119.914 -0.089 0.000 2.287 55 V HA -0.369 3.699 4.120 -0.087 0.000 0.248 55 V C 2.679 178.637 176.094 -0.227 0.000 1.053 55 V CA 2.396 64.580 62.300 -0.193 0.000 1.027 55 V CB -1.039 30.583 31.823 -0.336 0.000 0.646 55 V HN 0.659 nan 8.190 nan 0.000 0.447 56 Q N -0.371 119.227 119.800 -0.336 0.000 2.061 56 Q HA -0.258 4.030 4.340 -0.087 0.000 0.204 56 Q C 2.468 178.315 176.000 -0.255 0.000 0.984 56 Q CA 1.937 57.559 55.803 -0.302 0.000 0.846 56 Q CB -0.282 28.260 28.738 -0.326 0.000 0.902 56 Q HN 0.590 nan 8.270 nan 0.000 0.421 57 R N 0.178 120.545 120.500 -0.221 0.000 2.092 57 R HA -0.068 4.220 4.340 -0.087 0.000 0.231 57 R C 2.255 178.356 176.300 -0.331 0.000 1.119 57 R CA 1.145 57.115 56.100 -0.217 0.000 0.970 57 R CB -0.231 29.980 30.300 -0.147 0.000 0.864 57 R HN 0.275 nan 8.270 nan 0.000 0.440 58 I N 0.389 120.726 120.570 -0.388 0.000 2.252 58 I HA -0.236 3.882 4.170 -0.087 0.000 0.245 58 I C 2.538 177.992 176.117 -1.105 0.000 1.102 58 I CA 1.224 62.108 61.300 -0.694 0.000 1.385 58 I CB -0.408 37.228 38.000 -0.607 0.000 1.064 58 I HN 0.199 nan 8.210 nan 0.000 0.414 59 A N -0.209 122.098 122.820 -0.855 0.000 1.930 59 A HA -0.217 4.051 4.320 -0.087 0.000 0.217 59 A C 2.489 179.224 177.584 -1.415 0.000 1.175 59 A CA 2.059 53.409 52.037 -1.144 0.000 0.627 59 A CB -0.764 17.765 19.000 -0.786 0.000 0.815 59 A HN 0.379 nan 8.150 nan 0.000 0.443 60 S N -0.317 114.948 115.700 -0.724 0.000 2.359 60 S HA -0.188 4.230 4.470 -0.087 0.000 0.224 60 S C 2.361 176.711 174.600 -0.417 0.000 1.035 60 S CA 2.129 60.072 58.200 -0.428 0.000 1.018 60 S CB -0.484 62.595 63.200 -0.202 0.000 0.876 60 S HN 0.711 nan 8.310 nan 0.000 0.448 61 S N -0.542 114.899 115.700 -0.431 0.000 2.419 61 S HA -0.090 4.328 4.470 -0.087 0.000 0.233 61 S C 1.609 176.072 174.600 -0.228 0.000 1.016 61 S CA 1.240 59.265 58.200 -0.291 0.000 0.974 61 S CB -0.505 62.520 63.200 -0.292 0.000 0.786 61 S HN 0.747 nan 8.310 nan 0.000 0.492 62 W N 1.022 121.949 121.300 -0.620 0.000 2.441 62 W HA 0.188 4.796 4.660 -0.087 0.000 0.302 62 W C 2.148 178.405 176.519 -0.436 0.000 1.191 62 W CA -0.326 56.603 57.345 -0.692 0.000 1.327 62 W CB -1.648 27.181 29.460 -1.051 0.000 1.128 62 W HN 0.480 nan 8.180 nan 0.000 0.522 63 W N 0.408 121.721 121.300 0.022 0.000 2.358 63 W HA -0.168 4.440 4.660 -0.086 0.000 0.303 63 W C 2.083 178.579 176.519 -0.040 0.000 1.208 63 W CA 0.649 57.966 57.345 -0.046 0.000 1.274 63 W CB -1.123 28.299 29.460 -0.062 0.000 1.138 63 W HN -0.091 nan 8.180 nan 0.000 0.515 64 Q N 0.253 120.124 119.800 0.119 0.000 2.515 64 Q HA -0.025 4.263 4.340 -0.087 0.000 0.212 64 Q C 1.222 177.254 176.000 0.054 0.000 0.970 64 Q CA 0.628 56.473 55.803 0.070 0.000 0.941 64 Q CB -0.003 28.753 28.738 0.030 0.000 0.998 64 Q HN 0.116 nan 8.270 nan 0.000 0.518 65 S N -0.899 114.829 115.700 0.047 0.000 2.575 65 S HA 0.251 4.669 4.470 -0.087 0.000 0.237 65 S C 0.873 175.506 174.600 0.056 0.000 0.975 65 S CA 0.374 58.618 58.200 0.074 0.000 0.960 65 S CB 0.978 64.259 63.200 0.134 0.000 0.822 65 S HN 0.593 nan 8.310 nan 0.000 0.472 66 G N 0.952 109.779 108.800 0.044 0.000 2.157 66 G HA2 -0.241 3.667 3.960 -0.087 0.000 0.248 66 G HA3 -0.241 3.667 3.960 -0.087 0.000 0.248 66 G C 0.118 175.018 174.900 0.000 0.000 0.979 66 G CA -0.073 45.051 45.100 0.041 0.000 0.650 66 G HN 0.425 nan 8.290 nan 0.000 0.529 67 V N 1.465 121.342 119.914 -0.063 0.000 2.530 67 V HA 0.402 4.470 4.120 -0.087 0.000 0.282 67 V C 0.330 176.495 176.094 0.118 0.000 1.048 67 V CA -0.270 61.981 62.300 -0.081 0.000 0.997 67 V CB 1.729 33.353 31.823 -0.332 0.000 0.987 67 V HN 0.348 nan 8.190 nan 0.000 0.477 68 D N 4.033 124.456 120.400 0.038 0.000 2.347 68 D HA 0.351 4.939 4.640 -0.087 0.000 0.235 68 D C 0.890 177.142 176.300 -0.080 0.000 1.149 68 D CA 0.002 53.980 54.000 -0.038 0.000 0.850 68 D CB 1.858 42.616 40.800 -0.070 0.000 1.061 68 D HN 0.585 nan 8.370 nan 0.000 0.487 69 A N 4.908 127.526 122.820 -0.337 0.000 2.076 69 A HA -0.192 4.076 4.320 -0.087 0.000 0.220 69 A C 1.964 179.469 177.584 -0.132 0.000 1.160 69 A CA 1.080 52.815 52.037 -0.504 0.000 0.653 69 A CB -0.178 18.080 19.000 -1.238 0.000 0.801 69 A HN 0.650 nan 8.150 nan 0.000 0.455 70 R N -1.082 119.350 120.500 -0.112 0.000 2.235 70 R HA 0.031 4.319 4.340 -0.087 0.000 0.213 70 R C 1.414 177.722 176.300 0.013 0.000 1.059 70 R CA 0.580 56.665 56.100 -0.024 0.000 0.997 70 R CB -0.064 30.216 30.300 -0.034 0.000 0.884 70 R HN 0.235 nan 8.270 nan 0.000 0.462 71 R N 0.413 120.869 120.500 -0.074 0.000 2.310 71 R HA 0.119 4.407 4.340 -0.087 0.000 0.202 71 R C 0.009 176.378 176.300 0.115 0.000 0.933 71 R CA 0.206 56.154 56.100 -0.254 0.000 1.054 71 R CB 0.146 30.180 30.300 -0.443 0.000 0.985 71 R HN -0.023 nan 8.270 nan 0.000 0.489 72 V N 1.511 121.563 119.914 0.231 0.000 2.368 72 V HA 0.082 4.150 4.120 -0.087 0.000 0.266 72 V C 0.980 177.252 176.094 0.296 0.000 1.045 72 V CA 0.224 62.728 62.300 0.340 0.000 0.899 72 V CB 1.475 33.566 31.823 0.445 0.000 1.006 72 V HN 0.150 nan 8.190 nan 0.000 0.470 73 S N 3.213 119.093 115.700 0.299 0.000 2.517 73 S HA 0.536 4.954 4.470 -0.087 0.000 0.214 73 S C 0.548 175.184 174.600 0.061 0.000 0.991 73 S CA 0.576 58.905 58.200 0.214 0.000 0.906 73 S CB 0.460 63.830 63.200 0.283 0.000 0.789 73 S HN 0.968 nan 8.310 nan 0.000 0.513 74 A N 0.762 123.610 122.820 0.045 0.000 2.599 74 A HA 0.716 4.984 4.320 -0.087 0.000 0.294 74 A C -1.761 175.833 177.584 0.018 0.000 1.055 74 A CA -0.704 51.319 52.037 -0.023 0.000 0.683 74 A CB 0.793 19.717 19.000 -0.127 0.000 1.278 74 A HN 0.207 nan 8.150 nan 0.000 0.412 75 I N 0.966 121.522 120.570 -0.023 0.000 2.465 75 I HA 0.693 4.811 4.170 -0.087 0.000 0.291 75 I C -0.788 175.340 176.117 0.017 0.000 1.014 75 I CA -1.089 60.220 61.300 0.016 0.000 1.093 75 I CB 1.888 39.794 38.000 -0.158 0.000 1.267 75 I HN 0.486 nan 8.210 nan 0.000 0.431 76 V N 7.551 127.526 119.914 0.101 0.000 2.932 76 V HA 0.613 4.681 4.120 -0.087 0.000 0.307 76 V C -1.625 174.555 176.094 0.144 0.000 1.147 76 V CA -0.342 61.994 62.300 0.060 0.000 0.951 76 V CB 2.389 34.209 31.823 -0.005 0.000 1.031 76 V HN 0.539 nan 8.190 nan 0.000 0.426 77 L N 4.961 126.235 121.223 0.085 0.000 2.371 77 L HA 0.898 5.186 4.340 -0.087 0.000 0.262 77 L C 0.080 176.969 176.870 0.032 0.000 1.006 77 L CA -0.164 54.741 54.840 0.109 0.000 0.818 77 L CB 2.293 44.397 42.059 0.075 0.000 1.354 77 L HN 0.819 nan 8.230 nan 0.000 0.415 78 S N -0.760 114.960 115.700 0.032 0.000 2.715 78 S HA 1.046 5.464 4.470 -0.087 0.000 0.307 78 S C -0.317 174.251 174.600 -0.054 0.000 1.119 78 S CA -0.158 58.028 58.200 -0.023 0.000 0.937 78 S CB 2.231 65.422 63.200 -0.015 0.000 1.150 78 S HN 1.148 nan 8.310 nan 0.000 0.521 79 G N -0.429 108.307 108.800 -0.107 0.000 2.340 79 G HA2 0.408 4.316 3.960 -0.087 0.000 0.299 79 G HA3 0.408 4.316 3.960 -0.087 0.000 0.299 79 G C -1.454 173.324 174.900 -0.205 0.000 1.291 79 G CA -0.911 44.090 45.100 -0.165 0.000 0.841 79 G HN 0.808 nan 8.290 nan 0.000 0.500 83 N N 0.173 118.932 118.700 0.097 0.000 2.495 83 N HA 0.482 5.170 4.740 -0.087 0.000 0.280 83 N C -1.249 174.370 175.510 0.183 0.000 1.168 83 N CA -0.330 52.807 53.050 0.145 0.000 0.978 83 N CB 0.814 39.383 38.487 0.136 0.000 1.191 83 N HN 0.125 nan 8.380 nan 0.000 0.497 84 F N 2.280 122.233 119.950 0.004 0.000 2.427 84 F HA 0.591 5.065 4.527 -0.087 0.000 0.348 84 F C -1.596 174.141 175.800 -0.105 0.000 1.125 84 F CA -1.088 56.869 58.000 -0.072 0.000 0.989 84 F CB 0.645 39.579 39.000 -0.110 0.000 1.165 84 F HN 0.214 nan 8.300 nan 0.000 0.442 85 L N 9.592 130.405 121.223 -0.683 0.000 2.457 85 L HA 0.634 4.922 4.340 -0.087 0.000 0.266 85 L C -2.895 173.527 176.870 -0.746 0.000 0.979 85 L CA -2.276 52.138 54.840 -0.710 0.000 0.857 85 L CB 1.668 43.549 42.059 -0.297 0.000 1.213 85 L HN 0.333 nan 8.230 nan 0.000 0.418 86 P HA 0.410 nan 4.420 nan 0.000 0.293 86 P C -1.159 175.930 177.300 -0.352 0.000 1.313 86 P CA -0.099 62.591 63.100 -0.684 0.000 0.787 86 P CB 0.973 31.996 31.700 -1.129 0.000 0.910 87 L N 2.680 123.804 121.223 -0.165 0.000 2.333 87 L HA 0.501 4.789 4.340 -0.087 0.000 0.269 87 L C 0.856 177.742 176.870 0.026 0.000 1.010 87 L CA -1.040 53.774 54.840 -0.043 0.000 0.818 87 L CB 1.478 43.552 42.059 0.025 0.000 1.306 87 L HN 0.321 nan 8.230 nan 0.000 0.430 88 D N -0.279 120.150 120.400 0.049 0.000 2.425 88 D HA 0.013 4.601 4.640 -0.087 0.000 0.274 88 D C 0.824 177.169 176.300 0.075 0.000 1.242 88 D CA -0.406 53.616 54.000 0.037 0.000 1.060 88 D CB 0.282 41.097 40.800 0.025 0.000 1.112 88 D HN 0.647 nan 8.370 nan 0.000 0.561 89 Q N -1.279 118.528 119.800 0.013 0.000 2.291 89 Q HA -0.105 4.183 4.340 -0.087 0.000 0.205 89 Q C 0.010 175.976 176.000 -0.056 0.000 0.970 89 Q CA 1.147 56.952 55.803 0.004 0.000 0.876 89 Q CB -0.232 28.486 28.738 -0.033 0.000 0.935 89 Q HN 0.383 nan 8.270 nan 0.000 0.455 90 D N 0.440 120.799 120.400 -0.068 0.000 2.342 90 D HA 0.066 4.654 4.640 -0.087 0.000 0.221 90 D C -0.606 175.625 176.300 -0.114 0.000 1.101 90 D CA 0.044 53.944 54.000 -0.167 0.000 0.837 90 D CB -0.066 40.687 40.800 -0.080 0.000 0.938 90 D HN 0.453 nan 8.370 nan 0.000 0.508 91 H N -0.600 118.491 119.070 0.035 0.000 2.992 91 H HA -0.119 4.385 4.556 -0.087 0.000 0.266 91 H C -0.286 175.062 175.328 0.033 0.000 1.200 91 H CA 0.311 56.367 56.048 0.014 0.000 1.135 91 H CB -0.846 28.876 29.762 -0.068 0.000 1.282 91 H HN 0.109 nan 8.280 nan 0.000 0.351 92 E N 1.249 121.517 120.200 0.114 0.000 2.216 92 E HA 0.228 4.526 4.350 -0.087 0.000 0.279 92 E C -2.282 174.314 176.600 -0.007 0.000 0.997 92 E CA -2.142 54.291 56.400 0.055 0.000 0.817 92 E CB 1.085 30.798 29.700 0.021 0.000 1.096 92 E HN 0.126 nan 8.360 nan 0.000 0.393 93 P HA 0.053 nan 4.420 nan 0.000 0.268 93 P C 0.328 177.554 177.300 -0.124 0.000 1.204 93 P CA 0.238 63.230 63.100 -0.179 0.000 0.768 93 P CB 0.503 32.034 31.700 -0.281 0.000 0.842 94 L N 1.310 122.459 121.223 -0.122 0.000 2.607 94 L HA 0.233 4.521 4.340 -0.087 0.000 0.228 94 L C 1.012 177.895 176.870 0.022 0.000 1.123 94 L CA 0.403 55.248 54.840 0.010 0.000 0.890 94 L CB -0.213 41.947 42.059 0.167 0.000 1.103 94 L HN 0.542 nan 8.230 nan 0.000 0.468 95 H N -0.568 118.333 119.070 -0.281 0.000 3.024 95 H HA 0.315 4.818 4.556 -0.087 0.000 0.324 95 H C -0.703 174.410 175.328 -0.358 0.000 1.347 95 H CA -0.817 55.043 56.048 -0.313 0.000 1.182 95 H CB 1.746 31.253 29.762 -0.426 0.000 1.889 95 H HN -0.078 nan 8.280 nan 0.000 0.528 96 R N 0.696 120.934 120.500 -0.437 0.000 2.734 96 R HA 0.322 4.610 4.340 -0.087 0.000 0.266 96 R C -0.072 176.160 176.300 -0.113 0.000 1.044 96 R CA 0.355 56.291 56.100 -0.274 0.000 1.128 96 R CB 0.363 30.506 30.300 -0.262 0.000 1.010 96 R HN 0.531 nan 8.270 nan 0.000 0.461 97 A N 2.644 125.338 122.820 -0.211 0.000 2.492 97 A HA 0.180 4.448 4.320 -0.087 0.000 0.254 97 A C -0.098 177.516 177.584 0.050 0.000 1.091 97 A CA -0.351 51.613 52.037 -0.123 0.000 0.768 97 A CB 0.421 19.371 19.000 -0.085 0.000 1.028 97 A HN 0.431 nan 8.150 nan 0.000 0.498 98 V N 4.965 124.930 119.914 0.085 0.000 2.406 98 V HA 0.198 4.266 4.120 -0.087 0.000 0.272 98 V C 0.121 176.317 176.094 0.170 0.000 1.043 98 V CA -0.426 61.971 62.300 0.163 0.000 0.915 98 V CB 0.607 32.571 31.823 0.234 0.000 0.988 98 V HN 0.737 nan 8.190 nan 0.000 0.466 99 L N 4.623 125.938 121.223 0.153 0.000 2.468 99 L HA 0.273 4.561 4.340 -0.087 0.000 0.254 99 L C 1.374 178.324 176.870 0.134 0.000 1.171 99 L CA 0.009 54.958 54.840 0.182 0.000 0.809 99 L CB -0.092 42.080 42.059 0.189 0.000 1.155 99 L HN 0.749 nan 8.230 nan 0.000 0.473 100 Y N -0.682 119.639 120.300 0.035 0.000 2.224 100 Y HA -0.197 4.301 4.550 -0.087 0.000 0.289 100 Y C 2.064 177.975 175.900 0.019 0.000 1.146 100 Y CA 1.213 59.322 58.100 0.016 0.000 1.182 100 Y CB -0.718 37.725 38.460 -0.029 0.000 0.983 100 Y HN 0.600 nan 8.280 nan 0.000 0.524 101 S N -0.676 114.406 115.700 -1.030 0.000 2.515 101 S HA -0.122 4.296 4.470 -0.087 0.000 0.231 101 S C 0.610 175.025 174.600 -0.310 0.000 0.987 101 S CA 0.296 58.005 58.200 -0.817 0.000 0.936 101 S CB -0.652 62.055 63.200 -0.822 0.000 0.766 101 S HN 0.555 nan 8.310 nan 0.000 0.528 102 D N 2.953 123.241 120.400 -0.187 0.000 2.417 102 D HA 0.085 4.673 4.640 -0.087 0.000 0.250 102 D C 0.307 176.543 176.300 -0.107 0.000 1.166 102 D CA 0.299 54.239 54.000 -0.101 0.000 0.881 102 D CB 0.667 41.442 40.800 -0.042 0.000 1.164 102 D HN 0.660 nan 8.370 nan 0.000 0.467 103 K N 2.575 122.909 120.400 -0.110 0.000 3.054 103 K HA 0.260 4.528 4.320 -0.087 0.000 0.203 103 K C 0.951 177.468 176.600 -0.138 0.000 1.126 103 K CA -0.572 55.651 56.287 -0.108 0.000 1.023 103 K CB 0.544 33.001 32.500 -0.071 0.000 0.722 103 K HN 0.098 nan 8.250 nan 0.000 0.441 104 R N 1.039 121.409 120.500 -0.217 0.000 2.120 104 R HA -0.021 4.267 4.340 -0.087 0.000 0.234 104 R C -1.209 174.895 176.300 -0.326 0.000 1.123 104 R CA 0.837 56.767 56.100 -0.284 0.000 0.975 104 R CB -0.837 29.214 30.300 -0.415 0.000 0.866 104 R HN 0.223 nan 8.270 nan 0.000 0.446 105 P HA 0.051 nan 4.420 nan 0.000 0.228 105 P C 0.228 177.491 177.300 -0.062 0.000 1.748 105 P CA 0.351 63.319 63.100 -0.220 0.000 0.909 105 P CB -0.165 31.406 31.700 -0.215 0.000 1.882 106 L N -0.052 121.148 121.223 -0.037 0.000 2.012 106 L HA -0.219 4.069 4.340 -0.087 0.000 0.210 106 L C 2.485 179.364 176.870 0.015 0.000 1.073 106 L CA 1.574 56.408 54.840 -0.010 0.000 0.748 106 L CB -0.584 41.474 42.059 -0.003 0.000 0.891 106 L HN 0.130 nan 8.230 nan 0.000 0.431 107 K N 0.309 120.735 120.400 0.044 0.000 2.148 107 K HA -0.169 4.099 4.320 -0.087 0.000 0.204 107 K C 1.953 178.587 176.600 0.055 0.000 1.050 107 K CA 1.407 57.724 56.287 0.051 0.000 0.942 107 K CB 0.129 32.667 32.500 0.064 0.000 0.724 107 K HN 0.263 nan 8.250 nan 0.000 0.446 108 E N 0.250 120.490 120.200 0.066 0.000 2.072 108 E HA -0.079 4.219 4.350 -0.087 0.000 0.191 108 E C 1.836 178.445 176.600 0.014 0.000 0.985 108 E CA 1.291 57.724 56.400 0.054 0.000 0.801 108 E CB -0.246 29.496 29.700 0.071 0.000 0.750 108 E HN 0.329 nan 8.360 nan 0.000 0.452 109 A N 0.804 123.622 122.820 -0.004 0.000 1.930 109 A HA -0.233 4.035 4.320 -0.087 0.000 0.217 109 A C 2.115 179.705 177.584 0.009 0.000 1.175 109 A CA 1.598 53.625 52.037 -0.017 0.000 0.627 109 A CB -0.446 18.539 19.000 -0.026 0.000 0.815 109 A HN 0.236 nan 8.150 nan 0.000 0.443 110 E N -0.693 119.518 120.200 0.019 0.000 2.077 110 E HA -0.218 4.080 4.350 -0.087 0.000 0.193 110 E C 2.120 178.750 176.600 0.050 0.000 0.989 110 E CA 1.133 57.550 56.400 0.028 0.000 0.800 110 E CB -0.061 29.654 29.700 0.024 0.000 0.746 110 E HN 0.593 nan 8.360 nan 0.000 0.452 111 E N 0.697 120.936 120.200 0.065 0.000 2.047 111 E HA -0.176 4.122 4.350 -0.087 0.000 0.191 111 E C 2.155 178.846 176.600 0.152 0.000 0.987 111 E CA 0.872 57.332 56.400 0.100 0.000 0.799 111 E CB -0.188 29.583 29.700 0.118 0.000 0.752 111 E HN 0.322 nan 8.360 nan 0.000 0.449 112 I N 1.084 121.740 120.570 0.144 0.000 2.163 112 I HA -0.319 3.799 4.170 -0.087 0.000 0.243 112 I C 2.151 178.382 176.117 0.191 0.000 1.085 112 I CA 1.422 62.840 61.300 0.196 0.000 1.347 112 I CB -0.362 37.625 38.000 -0.021 0.000 1.044 112 I HN 0.131 nan 8.210 nan 0.000 0.408 113 N N 0.393 119.157 118.700 0.105 0.000 2.166 113 N HA -0.151 4.537 4.740 -0.087 0.000 0.186 113 N C 1.908 177.482 175.510 0.106 0.000 1.019 113 N CA 1.252 54.360 53.050 0.096 0.000 0.856 113 N CB -0.156 38.363 38.487 0.054 0.000 0.993 113 N HN 0.355 nan 8.380 nan 0.000 0.426 114 A N 1.078 123.953 122.820 0.091 0.000 1.898 114 A HA -0.119 4.149 4.320 -0.087 0.000 0.216 114 A C 2.082 179.707 177.584 0.069 0.000 1.181 114 A CA 1.189 53.266 52.037 0.068 0.000 0.620 114 A CB -0.494 18.537 19.000 0.051 0.000 0.819 114 A HN 0.211 nan 8.150 nan 0.000 0.442 115 R N -1.481 119.081 120.500 0.103 0.000 2.081 115 R HA -0.142 4.146 4.340 -0.087 0.000 0.235 115 R C 1.901 178.167 176.300 -0.056 0.000 1.131 115 R CA 1.786 57.907 56.100 0.034 0.000 0.960 115 R CB -0.301 30.055 30.300 0.093 0.000 0.856 115 R HN 0.694 nan 8.270 nan 0.000 0.436 116 H N -1.416 117.700 119.070 0.077 0.000 2.582 116 H HA 0.213 4.717 4.556 -0.087 0.000 0.269 116 H C 0.286 175.653 175.328 0.066 0.000 0.962 116 H CA 0.777 56.869 56.048 0.073 0.000 1.230 116 H CB 0.984 30.796 29.762 0.083 0.000 1.445 116 H HN 0.449 nan 8.280 nan 0.000 0.528 117 G N 0.382 109.275 108.800 0.155 0.000 3.190 117 G HA2 -0.091 3.817 3.960 -0.087 0.000 0.686 117 G HA3 -0.091 3.817 3.960 -0.087 0.000 0.686 117 G C 0.782 175.757 174.900 0.126 0.000 1.033 117 G CA -0.012 45.156 45.100 0.113 0.000 0.797 117 G HN 0.413 nan 8.290 nan 0.000 0.567 118 A N 1.615 124.492 122.820 0.095 0.000 1.969 118 A HA 0.063 4.331 4.320 -0.087 0.000 0.218 118 A C 2.051 179.720 177.584 0.142 0.000 1.169 118 A CA 2.433 54.529 52.037 0.098 0.000 0.635 118 A CB -0.210 18.820 19.000 0.050 0.000 0.810 118 A HN 0.712 nan 8.150 nan 0.000 0.445 119 D N 0.126 120.599 120.400 0.123 0.000 2.117 119 D HA -0.104 4.484 4.640 -0.087 0.000 0.198 119 D C 1.687 178.103 176.300 0.194 0.000 0.982 119 D CA 0.913 55.009 54.000 0.160 0.000 0.828 119 D CB -0.329 40.533 40.800 0.103 0.000 0.967 119 D HN 0.343 nan 8.370 nan 0.000 0.464 120 N N 0.523 119.316 118.700 0.154 0.000 2.069 120 N HA -0.097 4.591 4.740 -0.087 0.000 0.191 120 N C 2.103 177.712 175.510 0.165 0.000 1.031 120 N CA 0.540 53.682 53.050 0.152 0.000 0.852 120 N CB -0.364 38.220 38.487 0.161 0.000 1.018 120 N HN 0.251 nan 8.380 nan 0.000 0.423 121 L N -0.206 121.119 121.223 0.171 0.000 2.027 121 L HA -0.138 4.150 4.340 -0.087 0.000 0.206 121 L C 2.524 179.476 176.870 0.137 0.000 1.074 121 L CA 0.991 55.914 54.840 0.138 0.000 0.745 121 L CB -0.439 41.680 42.059 0.099 0.000 0.898 121 L HN 0.392 nan 8.230 nan 0.000 0.433 122 W N 0.661 121.971 121.300 0.016 0.000 2.354 122 W HA -0.275 4.333 4.660 -0.086 0.000 0.315 122 W C 2.696 179.217 176.519 0.003 0.000 1.206 122 W CA 1.846 59.188 57.345 -0.006 0.000 1.290 122 W CB -0.315 29.137 29.460 -0.014 0.000 1.152 122 W HN 0.207 nan 8.180 nan 0.000 0.489 123 S N 0.871 116.581 115.700 0.017 0.000 2.387 123 S HA -0.206 4.212 4.470 -0.087 0.000 0.230 123 S C 1.984 176.474 174.600 -0.182 0.000 1.035 123 S CA 2.287 60.433 58.200 -0.090 0.000 1.014 123 S CB -0.568 62.672 63.200 0.066 0.000 0.836 123 S HN 0.331 nan 8.310 nan 0.000 0.466 124 A N 0.369 123.127 122.820 -0.103 0.000 1.943 124 A HA 0.367 4.635 4.320 -0.087 0.000 0.213 124 A C 2.075 179.554 177.584 -0.176 0.000 1.181 124 A CA 0.665 52.632 52.037 -0.116 0.000 0.653 124 A CB -0.331 18.668 19.000 -0.002 0.000 0.833 124 A HN 0.554 nan 8.150 nan 0.000 0.451 125 L N -1.478 119.643 121.223 -0.170 0.000 2.416 125 L HA 0.111 4.399 4.340 -0.087 0.000 0.216 125 L C 0.476 177.144 176.870 -0.336 0.000 1.098 125 L CA 0.448 55.188 54.840 -0.166 0.000 0.840 125 L CB -0.268 41.763 42.059 -0.047 0.000 0.981 125 L HN 0.417 nan 8.230 nan 0.000 0.462 126 E N 0.520 120.324 120.200 -0.659 0.000 2.883 126 E HA -0.213 4.085 4.350 -0.087 0.000 0.271 126 E C -0.371 175.672 176.600 -0.928 0.000 1.049 126 E CA 0.404 56.173 56.400 -1.052 0.000 0.817 126 E CB -1.174 28.188 29.700 -0.563 0.000 1.407 126 E HN 0.565 nan 8.360 nan 0.000 0.434 127 N N -0.798 117.570 118.700 -0.554 0.000 2.732 127 N HA 0.369 5.057 4.740 -0.087 0.000 0.259 127 N C -2.737 172.799 175.510 0.043 0.000 1.402 127 N CA -1.297 51.654 53.050 -0.164 0.000 0.829 127 N CB 1.903 40.326 38.487 -0.105 0.000 1.495 127 N HN -0.228 nan 8.380 nan 0.000 0.511 131 A N 0.326 123.128 122.820 -0.032 0.000 2.024 131 A HA 0.360 4.628 4.320 -0.087 0.000 0.220 131 A C 2.417 179.963 177.584 -0.063 0.000 1.164 131 A CA 2.313 54.315 52.037 -0.059 0.000 0.643 131 A CB -1.386 17.573 19.000 -0.067 0.000 0.806 131 A HN 1.626 nan 8.150 nan 0.000 0.451 132 A N -0.360 122.447 122.820 -0.020 0.000 2.119 132 A HA 0.276 4.544 4.320 -0.087 0.000 0.216 132 A C 1.365 178.970 177.584 0.035 0.000 1.152 132 A CA 0.652 52.694 52.037 0.009 0.000 0.708 132 A CB -0.402 18.633 19.000 0.059 0.000 0.805 132 A HN 0.394 nan 8.150 nan 0.000 0.460 133 S N 0.532 116.244 115.700 0.020 0.000 2.579 133 S HA 0.218 4.636 4.470 -0.087 0.000 0.275 133 S C 1.193 175.768 174.600 -0.041 0.000 1.345 133 S CA -0.532 57.680 58.200 0.020 0.000 1.031 133 S CB 0.541 63.742 63.200 0.002 0.000 0.892 133 S HN 0.249 nan 8.310 nan 0.000 0.529 134 I N 1.269 121.819 120.570 -0.033 0.000 2.315 134 I HA -0.095 4.023 4.170 -0.087 0.000 0.248 134 I C 2.191 178.166 176.117 -0.237 0.000 1.117 134 I CA 0.966 62.203 61.300 -0.105 0.000 1.404 134 I CB -1.583 36.396 38.000 -0.035 0.000 1.071 134 I HN 0.561 nan 8.210 nan 0.000 0.419 135 L N 2.076 123.179 121.223 -0.200 0.000 1.990 135 L HA -0.119 4.169 4.340 -0.087 0.000 0.213 135 L C -0.429 176.284 176.870 -0.261 0.000 1.072 135 L CA 2.466 57.147 54.840 -0.265 0.000 0.755 135 L CB -2.019 39.889 42.059 -0.252 0.000 0.889 135 L HN 0.085 nan 8.230 nan 0.000 0.432 136 P HA -0.206 nan 4.420 nan 0.000 0.215 136 P C 1.368 178.587 177.300 -0.134 0.000 1.157 136 P CA 1.878 64.894 63.100 -0.140 0.000 0.874 136 P CB -0.122 31.513 31.700 -0.108 0.000 0.790 137 K N -1.076 119.182 120.400 -0.237 0.000 2.103 137 K HA -0.149 4.119 4.320 -0.087 0.000 0.207 137 K C 1.983 178.271 176.600 -0.520 0.000 1.048 137 K CA 1.040 57.133 56.287 -0.323 0.000 0.930 137 K CB -0.895 31.381 32.500 -0.374 0.000 0.716 137 K HN 0.080 nan 8.250 nan 0.000 0.444 138 L N 1.072 121.862 121.223 -0.721 0.000 2.056 138 L HA -0.122 4.166 4.340 -0.087 0.000 0.207 138 L C 2.077 178.936 176.870 -0.018 0.000 1.078 138 L CA 1.404 55.884 54.840 -0.600 0.000 0.749 138 L CB -0.389 41.267 42.059 -0.672 0.000 0.901 138 L HN -0.117 nan 8.230 nan 0.000 0.433 139 V N -0.569 119.356 119.914 0.019 0.000 2.295 139 V HA -0.326 3.742 4.120 -0.087 0.000 0.246 139 V C 2.369 178.536 176.094 0.122 0.000 1.049 139 V CA 2.185 64.564 62.300 0.132 0.000 1.024 139 V CB -0.793 31.071 31.823 0.067 0.000 0.648 139 V HN 0.539 nan 8.190 nan 0.000 0.447 140 F N -0.530 119.413 119.950 -0.012 0.000 2.161 140 F HA -0.273 4.202 4.527 -0.086 0.000 0.300 140 F C 2.075 177.939 175.800 0.107 0.000 1.089 140 F CA 2.270 60.284 58.000 0.023 0.000 1.282 140 F CB -0.314 38.694 39.000 0.014 0.000 1.010 140 F HN 0.345 nan 8.300 nan 0.000 0.485 141 W N 1.493 122.879 121.300 0.144 0.000 2.453 141 W HA -0.051 4.557 4.660 -0.087 0.000 0.289 141 W C 2.718 179.339 176.519 0.170 0.000 1.215 141 W CA 1.667 59.135 57.345 0.204 0.000 1.297 141 W CB -0.521 29.105 29.460 0.276 0.000 1.113 141 W HN -0.049 nan 8.180 nan 0.000 0.551 142 R N 0.526 121.004 120.500 -0.037 0.000 2.096 142 R HA -0.157 4.131 4.340 -0.087 0.000 0.235 142 R C 2.126 178.190 176.300 -0.393 0.000 1.127 142 R CA 1.889 57.752 56.100 -0.395 0.000 0.968 142 R CB -0.629 29.395 30.300 -0.459 0.000 0.861 142 R HN 0.188 nan 8.270 nan 0.000 0.440 143 A N -0.546 122.097 122.820 -0.296 0.000 1.968 143 A HA -0.024 4.244 4.320 -0.087 0.000 0.217 143 A C 2.035 179.392 177.584 -0.378 0.000 1.169 143 A CA 1.504 53.362 52.037 -0.298 0.000 0.638 143 A CB -0.119 18.731 19.000 -0.251 0.000 0.812 143 A HN 0.372 nan 8.150 nan 0.000 0.446 144 S N -1.744 113.662 115.700 -0.491 0.000 2.503 144 S HA 0.274 4.692 4.470 -0.087 0.000 0.217 144 S C -0.354 173.622 174.600 -1.040 0.000 0.999 144 S CA 0.159 57.914 58.200 -0.741 0.000 0.914 144 S CB -0.089 62.611 63.200 -0.833 0.000 0.782 144 S HN 0.437 nan 8.310 nan 0.000 0.520 145 F N 0.763 120.466 119.950 -0.412 0.000 2.710 145 F HA 0.379 4.854 4.527 -0.087 0.000 0.345 145 F C -2.401 173.165 175.800 -0.390 0.000 1.362 145 F CA -1.998 55.771 58.000 -0.385 0.000 1.175 145 F CB 1.263 39.991 39.000 -0.453 0.000 1.561 145 F HN -0.063 nan 8.300 nan 0.000 0.593 146 P HA -0.141 nan 4.420 nan 0.000 0.217 146 P C 1.559 178.895 177.300 0.060 0.000 1.151 146 P CA 1.298 64.370 63.100 -0.045 0.000 0.828 146 P CB 0.385 32.048 31.700 -0.061 0.000 0.788 147 Q N -0.116 119.713 119.800 0.048 0.000 1.965 147 Q HA -0.099 4.189 4.340 -0.087 0.000 0.200 147 Q C 2.349 178.402 176.000 0.088 0.000 0.981 147 Q CA 1.900 57.743 55.803 0.067 0.000 0.834 147 Q CB -1.492 27.286 28.738 0.066 0.000 0.900 147 Q HN 0.156 nan 8.270 nan 0.000 0.426 148 A N 1.029 123.919 122.820 0.116 0.000 1.927 148 A HA -0.236 4.032 4.320 -0.087 0.000 0.220 148 A C 1.987 179.691 177.584 0.200 0.000 1.185 148 A CA 1.825 53.972 52.037 0.185 0.000 0.639 148 A CB -1.060 18.120 19.000 0.300 0.000 0.820 148 A HN 0.397 nan 8.150 nan 0.000 0.451 149 F N 1.285 121.153 119.950 -0.138 0.000 2.161 149 F HA -0.058 4.417 4.527 -0.087 0.000 0.300 149 F C 2.240 178.100 175.800 0.100 0.000 1.089 149 F CA 1.429 59.400 58.000 -0.048 0.000 1.282 149 F CB -0.758 38.124 39.000 -0.197 0.000 1.010 149 F HN 0.188 nan 8.300 nan 0.000 0.485 150 G N 0.412 109.172 108.800 -0.068 0.000 2.462 150 G HA2 -0.259 3.649 3.960 -0.087 0.000 0.220 150 G HA3 -0.259 3.649 3.960 -0.087 0.000 0.220 150 G C 1.621 176.430 174.900 -0.152 0.000 1.121 150 G CA 0.669 45.680 45.100 -0.149 0.000 0.758 150 G HN 0.418 nan 8.290 nan 0.000 0.559 151 R N -0.729 119.737 120.500 -0.057 0.000 2.334 151 R HA 0.242 4.530 4.340 -0.087 0.000 0.220 151 R C 0.095 176.378 176.300 -0.028 0.000 0.917 151 R CA -0.545 55.539 56.100 -0.027 0.000 1.073 151 R CB -0.013 30.303 30.300 0.027 0.000 1.056 151 R HN 0.303 nan 8.270 nan 0.000 0.506 152 L N 1.848 123.033 121.223 -0.064 0.000 2.462 152 L HA 0.037 4.325 4.340 -0.087 0.000 0.272 152 L C 0.811 177.615 176.870 -0.111 0.000 1.166 152 L CA 0.554 55.389 54.840 -0.009 0.000 0.880 152 L CB 0.522 42.633 42.059 0.087 0.000 1.142 152 L HN -0.047 nan 8.230 nan 0.000 0.473 153 R N 2.960 123.371 120.500 -0.149 0.000 2.507 153 R HA 0.323 4.611 4.340 -0.087 0.000 0.230 153 R C -0.417 175.523 176.300 -0.600 0.000 0.897 153 R CA 0.025 55.902 56.100 -0.371 0.000 1.006 153 R CB 0.359 30.381 30.300 -0.464 0.000 1.341 153 R HN 0.642 nan 8.270 nan 0.000 0.604 154 H N -0.450 118.598 119.070 -0.036 0.000 2.894 154 H HA 0.387 4.891 4.556 -0.087 0.000 0.367 154 H C -1.006 174.250 175.328 -0.120 0.000 1.144 154 H CA -0.666 55.316 56.048 -0.110 0.000 1.180 154 H CB 2.810 32.369 29.762 -0.338 0.000 1.758 154 H HN -0.291 nan 8.280 nan 0.000 0.541 155 V N 3.308 123.281 119.914 0.099 0.000 2.349 155 V HA 0.157 4.225 4.120 -0.087 0.000 0.284 155 V C 0.267 176.438 176.094 0.128 0.000 1.014 155 V CA -0.721 61.607 62.300 0.046 0.000 0.826 155 V CB 1.575 33.431 31.823 0.055 0.000 1.009 155 V HN 0.433 nan 8.190 nan 0.000 0.431 156 V N 6.710 126.646 119.914 0.037 0.000 2.583 156 V HA 0.311 4.379 4.120 -0.087 0.000 0.287 156 V C 0.753 176.901 176.094 0.089 0.000 1.051 156 V CA 0.061 62.449 62.300 0.146 0.000 1.010 156 V CB 1.626 33.506 31.823 0.095 0.000 0.988 156 V HN 0.777 nan 8.190 nan 0.000 0.478 157 L N 3.763 125.043 121.223 0.096 0.000 2.920 157 L HA 0.514 4.802 4.340 -0.087 0.000 0.257 157 L C 0.841 177.737 176.870 0.044 0.000 1.150 157 L CA 0.241 55.124 54.840 0.071 0.000 0.959 157 L CB 0.558 42.652 42.059 0.059 0.000 1.321 157 L HN 0.746 nan 8.230 nan 0.000 0.555 158 G N -1.025 107.789 108.800 0.024 0.000 2.682 158 G HA2 0.516 4.424 3.960 -0.087 0.000 0.300 158 G HA3 0.516 4.424 3.960 -0.087 0.000 0.300 158 G C 0.452 175.287 174.900 -0.108 0.000 1.391 158 G CA 0.176 45.243 45.100 -0.054 0.000 0.990 158 G HN -0.086 nan 8.290 nan 0.000 0.501 159 A N 1.722 124.346 122.820 -0.326 0.000 1.908 159 A HA -0.097 4.171 4.320 -0.087 0.000 0.218 159 A C 2.193 179.548 177.584 -0.382 0.000 1.181 159 A CA 2.445 54.019 52.037 -0.772 0.000 0.627 159 A CB -0.300 17.792 19.000 -1.513 0.000 0.818 159 A HN 0.800 nan 8.150 nan 0.000 0.445 160 K N -0.134 120.118 120.400 -0.248 0.000 2.432 160 K HA -0.003 4.265 4.320 -0.087 0.000 0.196 160 K C 0.761 177.332 176.600 -0.048 0.000 1.038 160 K CA 1.414 57.626 56.287 -0.126 0.000 0.986 160 K CB -0.271 32.166 32.500 -0.105 0.000 0.782 160 K HN 0.296 nan 8.250 nan 0.000 0.485 161 D N 0.195 120.584 120.400 -0.019 0.000 2.144 161 D HA -0.148 4.440 4.640 -0.087 0.000 0.200 161 D C 1.544 177.884 176.300 0.067 0.000 0.978 161 D CA 0.918 54.931 54.000 0.022 0.000 0.833 161 D CB -0.295 40.537 40.800 0.052 0.000 0.961 161 D HN 0.308 nan 8.370 nan 0.000 0.470 162 Y N 1.625 121.936 120.300 0.017 0.000 2.145 162 Y HA -0.208 4.290 4.550 -0.087 0.000 0.286 162 Y C 2.135 178.014 175.900 -0.035 0.000 1.145 162 Y CA 1.136 59.249 58.100 0.023 0.000 1.148 162 Y CB -0.400 38.188 38.460 0.212 0.000 0.981 162 Y HN -0.211 nan 8.280 nan 0.000 0.507 163 V N -0.815 119.073 119.914 -0.043 0.000 2.407 163 V HA -0.280 3.788 4.120 -0.087 0.000 0.248 163 V C 2.367 178.332 176.094 -0.214 0.000 1.055 163 V CA 1.637 63.844 62.300 -0.154 0.000 1.049 163 V CB -0.764 31.076 31.823 0.027 0.000 0.662 163 V HN 0.359 nan 8.190 nan 0.000 0.455 164 V N -0.291 119.533 119.914 -0.150 0.000 2.427 164 V HA -0.218 3.850 4.120 -0.087 0.000 0.248 164 V C 2.341 178.320 176.094 -0.193 0.000 1.051 164 V CA 1.923 64.137 62.300 -0.143 0.000 1.048 164 V CB -0.470 31.296 31.823 -0.096 0.000 0.666 164 V HN 0.521 nan 8.190 nan 0.000 0.456 165 L N 0.135 121.211 121.223 -0.246 0.000 2.046 165 L HA -0.106 4.182 4.340 -0.087 0.000 0.208 165 L C 2.575 179.197 176.870 -0.413 0.000 1.077 165 L CA 1.906 56.545 54.840 -0.335 0.000 0.747 165 L CB -0.682 41.135 42.059 -0.404 0.000 0.896 165 L HN 0.126 nan 8.230 nan 0.000 0.432 166 R N -0.444 119.690 120.500 -0.611 0.000 2.120 166 R HA -0.039 4.249 4.340 -0.087 0.000 0.234 166 R C 2.217 178.265 176.300 -0.421 0.000 1.123 166 R CA 1.333 56.988 56.100 -0.742 0.000 0.975 166 R CB -0.770 28.590 30.300 -1.567 0.000 0.866 166 R HN 0.439 nan 8.270 nan 0.000 0.446 167 L N -0.167 120.896 121.223 -0.267 0.000 2.209 167 L HA -0.041 4.247 4.340 -0.087 0.000 0.207 167 L C 2.069 178.896 176.870 -0.072 0.000 1.094 167 L CA 1.571 56.357 54.840 -0.090 0.000 0.790 167 L CB -0.149 41.863 42.059 -0.077 0.000 0.932 167 L HN 0.285 nan 8.230 nan 0.000 0.447 168 T N -6.026 108.468 114.554 -0.101 0.000 2.964 168 T HA 0.260 4.558 4.350 -0.087 0.000 0.250 168 T C 1.407 176.075 174.700 -0.054 0.000 0.982 168 T CA 0.570 62.630 62.100 -0.066 0.000 0.959 168 T CB 1.025 69.850 68.868 -0.071 0.000 1.141 168 T HN 0.287 nan 8.240 nan 0.000 0.494 169 G N 1.887 110.638 108.800 -0.082 0.000 2.157 169 G HA2 -0.221 3.687 3.960 -0.087 0.000 0.248 169 G HA3 -0.221 3.687 3.960 -0.087 0.000 0.248 169 G C 0.011 174.885 174.900 -0.044 0.000 0.979 169 G CA -0.044 45.040 45.100 -0.027 0.000 0.650 169 G HN 0.747 nan 8.290 nan 0.000 0.529 170 R N -0.458 119.991 120.500 -0.085 0.000 2.589 170 R HA 0.586 4.874 4.340 -0.087 0.000 0.293 170 R C -0.690 175.563 176.300 -0.077 0.000 0.963 170 R CA -0.969 55.092 56.100 -0.065 0.000 0.905 170 R CB 1.154 31.434 30.300 -0.033 0.000 1.144 170 R HN 0.264 nan 8.270 nan 0.000 0.459 171 H N 1.302 120.256 119.070 -0.193 0.000 2.597 171 H HA 0.647 5.151 4.556 -0.087 0.000 0.303 171 H C -1.261 174.019 175.328 -0.080 0.000 1.057 171 H CA -0.378 55.552 56.048 -0.197 0.000 1.261 171 H CB 0.837 30.432 29.762 -0.279 0.000 1.397 171 H HN 0.768 nan 8.280 nan 0.000 0.461 172 A N 3.443 126.157 122.820 -0.177 0.000 2.583 172 A HA 0.743 5.011 4.320 -0.087 0.000 0.289 172 A C -0.838 176.667 177.584 -0.132 0.000 1.151 172 A CA -0.250 51.687 52.037 -0.166 0.000 0.695 172 A CB 1.754 20.705 19.000 -0.082 0.000 1.290 172 A HN 0.672 nan 8.150 nan 0.000 0.419 173 T N -0.389 114.119 114.554 -0.076 0.000 2.749 173 T HA 0.494 4.792 4.350 -0.087 0.000 0.310 173 T C -2.187 172.465 174.700 -0.079 0.000 1.496 173 T CA -0.170 61.900 62.100 -0.050 0.000 1.006 173 T CB 1.347 70.223 68.868 0.013 0.000 1.457 173 T HN 0.940 nan 8.240 nan 0.000 0.497 174 D N 1.213 121.551 120.400 -0.103 0.000 2.277 174 D HA 0.365 4.953 4.640 -0.087 0.000 0.250 174 D C 0.839 176.998 176.300 -0.234 0.000 1.032 174 D CA -0.724 53.188 54.000 -0.148 0.000 0.947 174 D CB 1.529 42.255 40.800 -0.123 0.000 1.159 174 D HN 0.517 nan 8.370 nan 0.000 0.460 175 R N -0.017 120.308 120.500 -0.291 0.000 2.120 175 R HA -0.067 4.221 4.340 -0.087 0.000 0.234 175 R C 2.038 178.148 176.300 -0.316 0.000 1.123 175 R CA 1.511 57.338 56.100 -0.455 0.000 0.975 175 R CB -0.323 29.771 30.300 -0.343 0.000 0.866 175 R HN 0.556 nan 8.270 nan 0.000 0.446 176 T N 0.849 115.289 114.554 -0.191 0.000 2.652 176 T HA -0.189 4.109 4.350 -0.087 0.000 0.267 176 T C 1.545 176.159 174.700 -0.143 0.000 1.039 176 T CA 1.791 63.806 62.100 -0.142 0.000 1.153 176 T CB -0.435 68.356 68.868 -0.129 0.000 0.863 176 T HN 0.309 nan 8.240 nan 0.000 0.428 177 N N 1.493 120.106 118.700 -0.145 0.000 2.120 177 N HA -0.068 4.620 4.740 -0.087 0.000 0.188 177 N C 1.954 177.428 175.510 -0.059 0.000 1.024 177 N CA 1.522 54.506 53.050 -0.109 0.000 0.852 177 N CB -0.530 37.903 38.487 -0.090 0.000 1.003 177 N HN 0.356 nan 8.380 nan 0.000 0.424 178 A N -0.225 122.517 122.820 -0.129 0.000 1.917 178 A HA -0.175 4.093 4.320 -0.087 0.000 0.219 178 A C 2.365 179.963 177.584 0.025 0.000 1.182 178 A CA 2.134 54.108 52.037 -0.105 0.000 0.633 178 A CB -1.119 17.426 19.000 -0.758 0.000 0.819 178 A HN 0.401 nan 8.150 nan 0.000 0.448 179 S N -0.390 115.301 115.700 -0.015 0.000 2.374 179 S HA -0.205 4.213 4.470 -0.087 0.000 0.227 179 S C 2.191 176.919 174.600 0.212 0.000 1.037 179 S CA 2.117 60.419 58.200 0.170 0.000 1.024 179 S CB -0.811 62.457 63.200 0.114 0.000 0.861 179 S HN 0.940 nan 8.310 nan 0.000 0.456 180 T N 0.511 115.161 114.554 0.161 0.000 3.007 180 T HA -0.089 4.210 4.350 -0.087 0.000 0.270 180 T C 1.829 176.693 174.700 0.273 0.000 1.107 180 T CA 1.601 63.857 62.100 0.259 0.000 1.118 180 T CB -0.856 68.016 68.868 0.006 0.000 0.889 180 T HN 0.584 nan 8.240 nan 0.000 0.506 181 T N -1.777 112.901 114.554 0.207 0.000 3.023 181 T HA 0.323 4.621 4.350 -0.087 0.000 0.266 181 T C 1.954 176.745 174.700 0.151 0.000 1.093 181 T CA 0.657 62.864 62.100 0.179 0.000 1.129 181 T CB -0.904 68.085 68.868 0.202 0.000 0.899 181 T HN 1.066 nan 8.240 nan 0.000 0.491 182 G N 1.066 109.966 108.800 0.166 0.000 2.198 182 G HA2 -0.194 3.714 3.960 -0.087 0.000 0.257 182 G HA3 -0.194 3.714 3.960 -0.087 0.000 0.257 182 G C 0.393 175.364 174.900 0.119 0.000 1.042 182 G CA 0.451 45.615 45.100 0.106 0.000 0.791 182 G HN 0.586 nan 8.290 nan 0.000 0.502 183 L N -1.680 119.690 121.223 0.244 0.000 3.086 183 L HA 0.374 4.662 4.340 -0.087 0.000 0.274 183 L C 0.425 177.631 176.870 0.560 0.000 1.184 183 L CA -0.418 54.620 54.840 0.331 0.000 1.002 183 L CB 0.523 42.756 42.059 0.290 0.000 1.383 183 L HN 0.307 nan 8.230 nan 0.000 0.582 184 Y N 1.227 121.687 120.300 0.267 0.000 2.393 184 Y HA 0.487 4.985 4.550 -0.087 0.000 0.341 184 Y C -0.237 175.647 175.900 -0.027 0.000 0.988 184 Y CA -1.127 57.015 58.100 0.070 0.000 1.078 184 Y CB 1.052 39.441 38.460 -0.119 0.000 1.203 184 Y HN -0.089 nan 8.280 nan 0.000 0.453 185 R N 7.783 127.816 120.500 -0.779 0.000 2.215 185 R HA 0.247 4.535 4.340 -0.087 0.000 0.337 185 R C -2.159 173.514 176.300 -1.045 0.000 1.010 185 R CA -1.669 54.006 56.100 -0.709 0.000 0.871 185 R CB 1.024 31.056 30.300 -0.447 0.000 1.134 185 R HN 0.530 nan 8.270 nan 0.000 0.477 186 P HA -0.201 nan 4.420 nan 0.000 0.215 186 P C 0.815 177.914 177.300 -0.335 0.000 1.157 186 P CA 1.142 63.934 63.100 -0.513 0.000 0.868 186 P CB 0.350 31.904 31.700 -0.242 0.000 0.788 187 K N -0.540 119.691 120.400 -0.282 0.000 2.148 187 K HA -0.080 4.188 4.320 -0.087 0.000 0.204 187 K C 1.222 177.715 176.600 -0.178 0.000 1.050 187 K CA 1.280 57.453 56.287 -0.190 0.000 0.942 187 K CB -0.926 31.478 32.500 -0.160 0.000 0.724 187 K HN 0.183 nan 8.250 nan 0.000 0.446 188 D N 0.225 120.488 120.400 -0.228 0.000 2.354 188 D HA -0.063 4.525 4.640 -0.087 0.000 0.209 188 D C -0.258 175.934 176.300 -0.181 0.000 1.015 188 D CA 0.189 54.080 54.000 -0.182 0.000 0.867 188 D CB -0.062 40.626 40.800 -0.188 0.000 0.933 188 D HN 0.100 nan 8.370 nan 0.000 0.520 189 D N -0.112 120.137 120.400 -0.252 0.000 2.737 189 D HA -0.164 4.424 4.640 -0.087 0.000 0.238 189 D C -0.883 175.331 176.300 -0.143 0.000 1.157 189 D CA 0.895 54.788 54.000 -0.179 0.000 0.694 189 D CB -0.978 39.782 40.800 -0.067 0.000 1.021 189 D HN 0.274 nan 8.370 nan 0.000 0.420 190 A N -0.056 122.588 122.820 -0.295 0.000 2.586 190 A HA 0.558 4.826 4.320 -0.087 0.000 0.291 190 A C -0.892 176.577 177.584 -0.192 0.000 1.062 190 A CA -0.697 51.215 52.037 -0.208 0.000 0.666 190 A CB 0.472 19.415 19.000 -0.095 0.000 1.281 190 A HN 0.138 nan 8.150 nan 0.000 0.421 191 W N 0.038 121.423 121.300 0.143 0.000 2.137 191 W HA 0.423 5.030 4.660 -0.087 0.000 0.344 191 W C 0.848 177.430 176.519 0.105 0.000 1.286 191 W CA 0.574 58.013 57.345 0.158 0.000 1.240 191 W CB 0.292 29.841 29.460 0.149 0.000 1.141 191 W HN 0.807 nan 8.180 nan 0.000 0.579 192 H N 1.796 121.044 119.070 0.297 0.000 3.205 192 H HA 0.099 4.603 4.556 -0.087 0.000 0.262 192 H C 0.900 176.326 175.328 0.164 0.000 1.333 192 H CA -0.304 55.832 56.048 0.147 0.000 1.499 192 H CB 0.405 30.223 29.762 0.093 0.000 1.609 192 H HN 0.359 nan 8.280 nan 0.000 0.498 193 V N 4.355 124.443 119.914 0.290 0.000 2.255 193 V HA -0.287 3.781 4.120 -0.087 0.000 0.247 193 V C 2.568 178.834 176.094 0.286 0.000 1.051 193 V CA 2.104 64.559 62.300 0.258 0.000 1.018 193 V CB -0.340 31.584 31.823 0.169 0.000 0.641 193 V HN 0.843 nan 8.190 nan 0.000 0.445 194 E N 0.777 121.170 120.200 0.321 0.000 2.153 194 E HA -0.247 4.051 4.350 -0.087 0.000 0.194 194 E C 2.172 178.954 176.600 0.302 0.000 0.988 194 E CA 1.657 58.230 56.400 0.288 0.000 0.811 194 E CB -0.628 29.226 29.700 0.258 0.000 0.746 194 E HN 0.519 nan 8.360 nan 0.000 0.466 195 L N 0.626 122.021 121.223 0.286 0.000 2.072 195 L HA -0.005 4.283 4.340 -0.087 0.000 0.205 195 L C 2.471 179.451 176.870 0.183 0.000 1.079 195 L CA 1.238 56.047 54.840 -0.052 0.000 0.752 195 L CB -0.381 41.204 42.059 -0.789 0.000 0.906 195 L HN 0.069 nan 8.230 nan 0.000 0.436 196 L N -0.594 120.765 121.223 0.226 0.000 2.093 196 L HA -0.112 4.176 4.340 -0.087 0.000 0.208 196 L C 2.623 179.695 176.870 0.337 0.000 1.085 196 L CA 1.074 56.106 54.840 0.320 0.000 0.755 196 L CB -0.780 41.436 42.059 0.262 0.000 0.904 196 L HN 0.367 nan 8.230 nan 0.000 0.435 197 A N -0.456 122.510 122.820 0.244 0.000 1.968 197 A HA -0.244 4.024 4.320 -0.087 0.000 0.217 197 A C 1.928 179.581 177.584 0.116 0.000 1.169 197 A CA 1.767 53.905 52.037 0.168 0.000 0.638 197 A CB -0.495 18.589 19.000 0.141 0.000 0.812 197 A HN 0.406 nan 8.150 nan 0.000 0.446 198 D N -1.956 118.533 120.400 0.149 0.000 2.264 198 D HA -0.123 4.465 4.640 -0.087 0.000 0.208 198 D C 0.713 176.912 176.300 -0.169 0.000 0.966 198 D CA 0.977 54.993 54.000 0.026 0.000 0.864 198 D CB -0.177 40.702 40.800 0.131 0.000 0.933 198 D HN 0.552 nan 8.370 nan 0.000 0.499 199 Y N -1.070 119.245 120.300 0.024 0.000 2.607 199 Y HA 0.360 4.858 4.550 -0.086 0.000 0.266 199 Y C 1.489 177.095 175.900 -0.490 0.000 1.178 199 Y CA 0.059 58.087 58.100 -0.119 0.000 1.226 199 Y CB 0.940 39.437 38.460 0.061 0.000 1.144 199 Y HN 0.010 nan 8.280 nan 0.000 0.528 200 G N 0.196 108.874 108.800 -0.203 0.000 2.198 200 G HA2 -0.296 3.612 3.960 -0.087 0.000 0.257 200 G HA3 -0.296 3.612 3.960 -0.087 0.000 0.257 200 G C -0.544 174.176 174.900 -0.300 0.000 1.042 200 G CA -0.255 44.692 45.100 -0.254 0.000 0.791 200 G HN 0.178 nan 8.290 nan 0.000 0.502 201 F N 0.697 120.758 119.950 0.184 0.000 2.467 201 F HA 0.717 5.192 4.527 -0.087 0.000 0.336 201 F C 0.670 176.549 175.800 0.131 0.000 1.123 201 F CA -0.974 57.136 58.000 0.184 0.000 0.964 201 F CB 2.046 41.148 39.000 0.170 0.000 1.136 201 F HN 0.105 nan 8.300 nan 0.000 0.447 202 S N 2.847 118.727 115.700 0.300 0.000 2.592 202 S HA 0.299 4.717 4.470 -0.087 0.000 0.271 202 S C 1.307 175.995 174.600 0.146 0.000 1.326 202 S CA -0.616 57.694 58.200 0.182 0.000 1.024 202 S CB 0.619 63.895 63.200 0.127 0.000 0.921 202 S HN 0.763 nan 8.310 nan 0.000 0.527 203 L N 2.128 123.424 121.223 0.121 0.000 2.275 203 L HA -0.077 4.211 4.340 -0.087 0.000 0.215 203 L C 1.376 178.286 176.870 0.066 0.000 1.119 203 L CA 1.117 56.013 54.840 0.094 0.000 0.790 203 L CB -0.562 41.576 42.059 0.131 0.000 0.919 203 L HN 0.691 nan 8.230 nan 0.000 0.443 204 D N 0.116 120.564 120.400 0.081 0.000 2.265 204 D HA -0.079 4.509 4.640 -0.087 0.000 0.208 204 D C 1.223 177.576 176.300 0.088 0.000 0.977 204 D CA 0.669 54.719 54.000 0.083 0.000 0.871 204 D CB -0.090 40.748 40.800 0.064 0.000 0.925 204 D HN 0.247 nan 8.370 nan 0.000 0.485 208 R N 0.957 121.429 120.500 -0.045 0.000 2.438 208 R HA 0.499 4.787 4.340 -0.087 0.000 0.287 208 R C -0.643 175.686 176.300 0.048 0.000 1.077 208 R CA -0.039 56.100 56.100 0.066 0.000 1.034 208 R CB -0.147 30.163 30.300 0.017 0.000 0.993 208 R HN 0.464 nan 8.270 nan 0.000 0.459 209 L N 5.756 127.000 121.223 0.036 0.000 2.319 209 L HA 0.353 4.641 4.340 -0.087 0.000 0.280 209 L C -0.245 176.577 176.870 -0.080 0.000 1.099 209 L CA -0.138 54.653 54.840 -0.081 0.000 0.828 209 L CB 0.420 42.349 42.059 -0.217 0.000 1.150 209 L HN 0.486 nan 8.230 nan 0.000 0.442 210 L N 2.726 123.892 121.223 -0.094 0.000 2.393 210 L HA 0.446 4.734 4.340 -0.087 0.000 0.260 210 L C -0.297 176.519 176.870 -0.089 0.000 1.002 210 L CA -1.032 53.761 54.840 -0.079 0.000 0.818 210 L CB 2.384 44.404 42.059 -0.065 0.000 1.369 210 L HN 0.518 nan 8.230 nan 0.000 0.412 211 E N 1.760 121.915 120.200 -0.076 0.000 2.404 211 E HA 0.071 4.369 4.350 -0.087 0.000 0.261 211 E C -1.822 174.732 176.600 -0.076 0.000 1.074 211 E CA -1.533 54.822 56.400 -0.075 0.000 0.917 211 E CB 0.630 30.292 29.700 -0.062 0.000 0.965 211 E HN 0.315 nan 8.360 nan 0.000 0.433 212 P HA -0.149 nan 4.420 nan 0.000 0.216 212 P C 1.194 178.448 177.300 -0.076 0.000 1.150 212 P CA 1.569 64.624 63.100 -0.076 0.000 0.843 212 P CB 0.150 31.806 31.700 -0.073 0.000 0.787 213 G N -1.069 107.684 108.800 -0.077 0.000 2.777 213 G HA2 -0.062 3.846 3.960 -0.087 0.000 0.211 213 G HA3 -0.062 3.846 3.960 -0.087 0.000 0.211 213 G C 0.445 175.297 174.900 -0.080 0.000 1.149 213 G CA -0.082 44.967 45.100 -0.085 0.000 0.785 213 G HN 0.269 nan 8.290 nan 0.000 0.536 214 E N 0.560 120.719 120.200 -0.069 0.000 2.392 214 E HA 0.096 4.394 4.350 -0.087 0.000 0.264 214 E C -0.036 176.526 176.600 -0.064 0.000 1.024 214 E CA -0.147 56.216 56.400 -0.062 0.000 0.903 214 E CB 0.797 30.464 29.700 -0.055 0.000 0.963 214 E HN 0.279 nan 8.360 nan 0.000 0.432 215 Q N 2.372 122.137 119.800 -0.059 0.000 2.296 215 Q HA 0.051 4.339 4.340 -0.087 0.000 0.262 215 Q C 0.450 176.419 176.000 -0.051 0.000 0.981 215 Q CA -0.371 55.398 55.803 -0.058 0.000 0.905 215 Q CB 1.031 29.737 28.738 -0.053 0.000 1.186 215 Q HN 0.446 nan 8.270 nan 0.000 0.399 216 V N 3.333 123.214 119.914 -0.054 0.000 2.488 216 V HA 0.147 4.215 4.120 -0.087 0.000 0.246 216 V C 0.946 177.014 176.094 -0.043 0.000 1.046 216 V CA 1.523 63.792 62.300 -0.051 0.000 1.053 216 V CB -0.152 31.636 31.823 -0.060 0.000 0.679 216 V HN 0.949 nan 8.190 nan 0.000 0.458 217 G N -1.903 106.870 108.800 -0.045 0.000 2.321 217 G HA2 0.497 4.405 3.960 -0.087 0.000 0.296 217 G HA3 0.497 4.405 3.960 -0.087 0.000 0.296 217 G C -0.715 174.161 174.900 -0.039 0.000 1.287 217 G CA -0.183 44.896 45.100 -0.036 0.000 0.846 217 G HN 0.449 nan 8.290 nan 0.000 0.508 218 G N -1.300 107.483 108.800 -0.028 0.000 2.434 218 G HA2 0.620 4.528 3.960 -0.087 0.000 0.330 218 G HA3 0.620 4.528 3.960 -0.087 0.000 0.330 218 G C -0.063 174.824 174.900 -0.022 0.000 1.155 218 G CA -0.436 44.649 45.100 -0.025 0.000 0.917 218 G HN 1.139 nan 8.290 nan 0.000 0.493 219 V N 1.525 121.427 119.914 -0.019 0.000 2.557 219 V HA 0.127 4.195 4.120 -0.087 0.000 0.301 219 V C 1.237 177.346 176.094 0.025 0.000 1.026 219 V CA 0.140 62.441 62.300 0.003 0.000 1.137 219 V CB 0.219 32.061 31.823 0.032 0.000 0.917 219 V HN 0.933 nan 8.190 nan 0.000 0.484 220 S N 4.773 120.488 115.700 0.025 0.000 2.614 220 S HA 0.483 4.901 4.470 -0.087 0.000 0.265 220 S C 1.398 176.024 174.600 0.043 0.000 1.303 220 S CA -0.118 58.097 58.200 0.026 0.000 1.000 220 S CB 1.506 64.716 63.200 0.016 0.000 0.935 220 S HN 1.037 nan 8.310 nan 0.000 0.551 221 A N 1.142 123.981 122.820 0.033 0.000 1.892 221 A HA -0.091 4.177 4.320 -0.087 0.000 0.218 221 A C 2.068 179.680 177.584 0.046 0.000 1.188 221 A CA 1.845 53.903 52.037 0.035 0.000 0.631 221 A CB -1.140 17.874 19.000 0.023 0.000 0.822 221 A HN 1.013 nan 8.150 nan 0.000 0.447 222 L N -0.387 120.862 121.223 0.044 0.000 2.017 222 L HA -0.017 4.271 4.340 -0.087 0.000 0.208 222 L C 2.642 179.566 176.870 0.090 0.000 1.073 222 L CA 2.356 57.228 54.840 0.054 0.000 0.745 222 L CB -0.831 41.251 42.059 0.038 0.000 0.894 222 L HN 0.322 nan 8.230 nan 0.000 0.432 223 A N -0.384 122.497 122.820 0.101 0.000 1.933 223 A HA -0.069 4.199 4.320 -0.087 0.000 0.218 223 A C 2.463 180.165 177.584 0.197 0.000 1.175 223 A CA 1.677 53.818 52.037 0.173 0.000 0.628 223 A CB -1.180 17.910 19.000 0.150 0.000 0.814 223 A HN 0.610 nan 8.150 nan 0.000 0.444 224 A N -0.014 122.896 122.820 0.150 0.000 1.908 224 A HA -0.211 4.057 4.320 -0.087 0.000 0.218 224 A C 2.246 179.894 177.584 0.107 0.000 1.181 224 A CA 1.629 53.752 52.037 0.143 0.000 0.627 224 A CB -0.485 18.568 19.000 0.089 0.000 0.818 224 A HN 0.558 nan 8.150 nan 0.000 0.445 225 R N -0.748 119.803 120.500 0.085 0.000 2.115 225 R HA -0.103 4.185 4.340 -0.087 0.000 0.230 225 R C 2.278 178.625 176.300 0.078 0.000 1.111 225 R CA 1.472 57.611 56.100 0.064 0.000 0.976 225 R CB -0.236 30.094 30.300 0.050 0.000 0.870 225 R HN 0.712 nan 8.270 nan 0.000 0.445 226 Q N -0.748 119.118 119.800 0.111 0.000 2.269 226 Q HA -0.051 4.237 4.340 -0.087 0.000 0.201 226 Q C 1.677 177.717 176.000 0.066 0.000 0.946 226 Q CA 1.692 57.556 55.803 0.102 0.000 0.877 226 Q CB 0.427 29.275 28.738 0.182 0.000 0.963 226 Q HN 0.417 nan 8.270 nan 0.000 0.472 227 T N -5.468 109.165 114.554 0.131 0.000 3.019 227 T HA 0.335 4.633 4.350 -0.087 0.000 0.247 227 T C 1.431 176.271 174.700 0.235 0.000 0.992 227 T CA 0.577 62.763 62.100 0.142 0.000 1.036 227 T CB 0.825 69.900 68.868 0.346 0.000 1.063 227 T HN 0.316 nan 8.240 nan 0.000 0.476 228 G N 1.092 110.000 108.800 0.179 0.000 2.175 228 G HA2 -0.167 3.741 3.960 -0.087 0.000 0.244 228 G HA3 -0.167 3.741 3.960 -0.087 0.000 0.244 228 G C -0.080 174.662 174.900 -0.263 0.000 0.982 228 G CA -0.210 44.892 45.100 0.005 0.000 0.641 228 G HN 0.506 nan 8.290 nan 0.000 0.527 229 F N 0.360 120.389 119.950 0.132 0.000 2.490 229 F HA 0.437 4.912 4.527 -0.087 0.000 0.336 229 F C 1.369 177.124 175.800 -0.075 0.000 1.178 229 F CA -0.135 57.897 58.000 0.053 0.000 1.301 229 F CB 0.727 39.858 39.000 0.219 0.000 1.175 229 F HN -0.023 nan 8.300 nan 0.000 0.593 230 V N 2.061 122.056 119.914 0.134 0.000 2.470 230 V HA 0.034 4.102 4.120 -0.087 0.000 0.276 230 V C 0.383 176.529 176.094 0.088 0.000 1.040 230 V CA -0.631 61.700 62.300 0.052 0.000 1.008 230 V CB 0.858 32.691 31.823 0.017 0.000 0.990 230 V HN 0.769 nan 8.190 nan 0.000 0.477 231 S N 4.395 120.131 115.700 0.060 0.000 2.626 231 S HA 0.295 4.713 4.470 -0.087 0.000 0.303 231 S C 1.390 176.012 174.600 0.037 0.000 1.256 231 S CA 0.939 59.169 58.200 0.050 0.000 1.069 231 S CB -0.307 62.913 63.200 0.034 0.000 0.807 231 S HN 1.794 nan 8.310 nan 0.000 0.500 232 G N 3.356 112.174 108.800 0.029 0.000 2.213 232 G HA2 -0.243 3.665 3.960 -0.087 0.000 0.236 232 G HA3 -0.243 3.665 3.960 -0.087 0.000 0.236 232 G C 0.265 175.175 174.900 0.016 0.000 0.991 232 G CA 0.110 45.220 45.100 0.017 0.000 0.629 232 G HN 0.987 nan 8.290 nan 0.000 0.517 233 T N 3.978 118.550 114.554 0.031 0.000 2.849 233 T HA 0.372 4.670 4.350 -0.087 0.000 0.289 233 T C -2.039 172.650 174.700 -0.018 0.000 1.010 233 T CA 0.323 62.439 62.100 0.027 0.000 1.161 233 T CB 0.919 69.818 68.868 0.051 0.000 0.989 233 T HN 0.191 nan 8.240 nan 0.000 0.523 234 P HA 0.127 nan 4.420 nan 0.000 0.263 234 P C -0.787 176.471 177.300 -0.071 0.000 1.195 234 P CA -0.100 62.971 63.100 -0.048 0.000 0.762 234 P CB 0.342 32.009 31.700 -0.055 0.000 0.799 235 V N 5.772 125.640 119.914 -0.077 0.000 2.334 235 V HA 0.236 4.304 4.120 -0.087 0.000 0.281 235 V C 0.562 176.611 176.094 -0.075 0.000 1.016 235 V CA -0.532 61.715 62.300 -0.089 0.000 0.832 235 V CB 0.756 32.518 31.823 -0.102 0.000 0.999 235 V HN 0.391 nan 8.190 nan 0.000 0.439 236 L N 2.998 124.177 121.223 -0.073 0.000 2.456 236 L HA 0.238 4.526 4.340 -0.087 0.000 0.257 236 L C 1.684 178.514 176.870 -0.066 0.000 1.162 236 L CA -0.239 54.557 54.840 -0.073 0.000 0.808 236 L CB 0.720 42.730 42.059 -0.081 0.000 1.136 236 L HN 0.799 nan 8.230 nan 0.000 0.466 237 C N 0.687 119.947 119.300 -0.067 0.000 2.446 237 C HA 0.137 4.545 4.460 -0.087 0.000 0.277 237 C C 1.448 176.401 174.990 -0.063 0.000 1.275 237 C CA 0.745 59.724 59.018 -0.066 0.000 1.727 237 C CB -1.293 26.405 27.740 -0.070 0.000 2.010 237 C HN 1.064 nan 8.230 nan 0.000 0.486 238 G N 0.490 109.253 108.800 -0.062 0.000 2.645 238 G HA2 -0.117 3.791 3.960 -0.087 0.000 0.239 238 G HA3 -0.117 3.791 3.960 -0.087 0.000 0.239 238 G C -0.625 174.235 174.900 -0.066 0.000 1.331 238 G CA 0.118 45.185 45.100 -0.055 0.000 0.890 238 G HN 1.608 nan 8.290 nan 0.000 0.572 239 L N -3.720 117.463 121.223 -0.066 0.000 2.720 239 L HA 0.815 5.103 4.340 -0.087 0.000 0.261 239 L C 0.638 177.452 176.870 -0.093 0.000 1.046 239 L CA -0.699 54.091 54.840 -0.084 0.000 0.886 239 L CB 1.098 43.104 42.059 -0.087 0.000 1.493 239 L HN 2.074 nan 8.230 nan 0.000 0.407 240 G N 0.609 109.338 108.800 -0.119 0.000 2.568 240 G HA2 0.082 3.990 3.960 -0.087 0.000 0.231 240 G HA3 0.082 3.990 3.960 -0.087 0.000 0.231 240 G C 0.506 175.322 174.900 -0.139 0.000 1.261 240 G CA 0.558 45.569 45.100 -0.148 0.000 0.855 240 G HN 1.010 nan 8.290 nan 0.000 0.576 241 D N 0.946 121.256 120.400 -0.151 0.000 2.178 241 D HA -0.113 4.475 4.640 -0.087 0.000 0.201 241 D C 2.287 178.537 176.300 -0.083 0.000 0.980 241 D CA 1.329 55.270 54.000 -0.098 0.000 0.842 241 D CB -0.538 40.211 40.800 -0.086 0.000 0.948 241 D HN 0.427 nan 8.370 nan 0.000 0.472 242 A N 1.046 123.753 122.820 -0.189 0.000 1.877 242 A HA 0.055 4.323 4.320 -0.087 0.000 0.216 242 A C 2.476 179.994 177.584 -0.110 0.000 1.186 242 A CA 2.081 53.998 52.037 -0.200 0.000 0.620 242 A CB -1.435 17.219 19.000 -0.576 0.000 0.822 242 A HN 0.369 nan 8.150 nan 0.000 0.443 243 G N -0.514 108.205 108.800 -0.136 0.000 2.446 243 G HA2 -0.040 3.868 3.960 -0.087 0.000 0.217 243 G HA3 -0.040 3.868 3.960 -0.087 0.000 0.217 243 G C 1.742 176.599 174.900 -0.071 0.000 1.168 243 G CA 1.620 46.661 45.100 -0.098 0.000 0.771 243 G HN 0.834 nan 8.290 nan 0.000 0.551 244 A N 0.933 123.720 122.820 -0.054 0.000 1.929 244 A HA 0.390 4.658 4.320 -0.087 0.000 0.216 244 A C 2.797 180.381 177.584 -0.000 0.000 1.176 244 A CA 2.019 54.042 52.037 -0.023 0.000 0.628 244 A CB -0.683 18.311 19.000 -0.010 0.000 0.816 244 A HN 0.755 nan 8.150 nan 0.000 0.444 245 A N -0.059 122.768 122.820 0.013 0.000 1.902 245 A HA -0.103 4.165 4.320 -0.087 0.000 0.217 245 A C 2.456 179.976 177.584 -0.108 0.000 1.181 245 A CA 2.545 54.614 52.037 0.053 0.000 0.623 245 A CB -1.348 17.740 19.000 0.146 0.000 0.818 245 A HN 0.718 nan 8.150 nan 0.000 0.443 246 T N -1.579 112.832 114.554 -0.239 0.000 2.812 246 T HA -0.012 4.286 4.350 -0.087 0.000 0.264 246 T C 1.877 176.499 174.700 -0.129 0.000 1.042 246 T CA 1.224 63.126 62.100 -0.329 0.000 1.140 246 T CB -0.583 68.095 68.868 -0.316 0.000 0.870 246 T HN 0.270 nan 8.240 nan 0.000 0.445 247 L N 1.269 122.446 121.223 -0.076 0.000 2.012 247 L HA 0.008 4.296 4.340 -0.087 0.000 0.210 247 L C 3.205 180.063 176.870 -0.020 0.000 1.073 247 L CA 1.591 56.410 54.840 -0.035 0.000 0.748 247 L CB -1.279 40.766 42.059 -0.024 0.000 0.891 247 L HN 0.502 nan 8.230 nan 0.000 0.431 248 G N -0.314 108.478 108.800 -0.013 0.000 2.499 248 G HA2 -0.214 3.694 3.960 -0.087 0.000 0.221 248 G HA3 -0.214 3.694 3.960 -0.087 0.000 0.221 248 G C 1.294 176.146 174.900 -0.081 0.000 1.109 248 G CA 1.257 46.358 45.100 0.002 0.000 0.749 248 G HN 0.429 nan 8.290 nan 0.000 0.568 249 V N -3.908 115.934 119.914 -0.120 0.000 3.427 249 V HA 0.659 4.727 4.120 -0.087 0.000 0.305 249 V C 1.341 177.393 176.094 -0.069 0.000 1.412 249 V CA 0.434 62.634 62.300 -0.167 0.000 1.086 249 V CB -0.220 31.471 31.823 -0.220 0.000 0.964 249 V HN 1.096 nan 8.190 nan 0.000 0.439 250 G N 0.548 109.327 108.800 -0.036 0.000 2.132 250 G HA2 -0.198 3.710 3.960 -0.087 0.000 0.234 250 G HA3 -0.198 3.710 3.960 -0.087 0.000 0.234 250 G C 0.024 174.923 174.900 -0.002 0.000 0.989 250 G CA -0.065 45.028 45.100 -0.012 0.000 0.676 250 G HN 0.933 nan 8.290 nan 0.000 0.522 251 V N 1.446 121.358 119.914 -0.004 0.000 2.302 251 V HA 0.361 4.429 4.120 -0.087 0.000 0.244 251 V C 1.520 177.616 176.094 0.004 0.000 1.160 251 V CA 0.808 63.114 62.300 0.009 0.000 1.127 251 V CB 0.383 32.213 31.823 0.011 0.000 1.253 251 V HN 0.402 nan 8.190 nan 0.000 0.496 252 L N 1.230 122.460 121.223 0.010 0.000 2.803 252 L HA 0.410 4.698 4.340 -0.087 0.000 0.246 252 L C 0.392 177.270 176.870 0.013 0.000 1.100 252 L CA 0.235 55.081 54.840 0.010 0.000 0.919 252 L CB 0.596 42.663 42.059 0.013 0.000 1.285 252 L HN 0.463 nan 8.230 nan 0.000 0.522 253 D N -0.041 120.369 120.400 0.016 0.000 2.299 253 D HA 0.201 4.789 4.640 -0.087 0.000 0.243 253 D C -0.860 175.452 176.300 0.021 0.000 0.982 253 D CA -0.524 53.486 54.000 0.017 0.000 0.924 253 D CB 1.719 42.529 40.800 0.015 0.000 1.238 253 D HN -0.147 nan 8.370 nan 0.000 0.484 254 D N 1.437 121.850 120.400 0.021 0.000 2.506 254 D HA -0.047 4.541 4.640 -0.087 0.000 0.234 254 D C 0.761 177.077 176.300 0.028 0.000 1.143 254 D CA 0.865 54.880 54.000 0.025 0.000 0.871 254 D CB 0.434 41.248 40.800 0.022 0.000 1.190 254 D HN 0.298 nan 8.370 nan 0.000 0.459 255 E N -0.538 119.683 120.200 0.034 0.000 3.370 255 E HA -0.205 4.093 4.350 -0.087 0.000 0.291 255 E C -0.487 176.133 176.600 0.035 0.000 0.916 255 E CA 0.824 57.246 56.400 0.036 0.000 0.981 255 E CB -1.404 28.314 29.700 0.030 0.000 1.498 255 E HN 0.509 nan 8.360 nan 0.000 0.452 256 D N 0.138 120.560 120.400 0.036 0.000 2.382 256 D HA 0.502 5.090 4.640 -0.087 0.000 0.240 256 D C 0.313 176.649 176.300 0.059 0.000 1.146 256 D CA 0.880 54.903 54.000 0.039 0.000 0.897 256 D CB 0.885 41.706 40.800 0.035 0.000 1.197 256 D HN 0.294 nan 8.370 nan 0.000 0.432 257 A N 1.371 124.229 122.820 0.064 0.000 2.566 257 A HA 0.655 4.923 4.320 -0.087 0.000 0.292 257 A C -1.870 175.790 177.584 0.127 0.000 1.112 257 A CA -0.678 51.414 52.037 0.091 0.000 0.707 257 A CB 1.486 20.518 19.000 0.054 0.000 1.302 257 A HN 0.480 nan 8.150 nan 0.000 0.409 258 Y N 0.106 120.383 120.300 -0.039 0.000 2.513 258 Y HA 0.640 5.139 4.550 -0.085 0.000 0.340 258 Y C -1.965 173.820 175.900 -0.192 0.000 1.055 258 Y CA -0.974 57.058 58.100 -0.114 0.000 1.020 258 Y CB 1.939 40.344 38.460 -0.091 0.000 1.301 258 Y HN 0.840 nan 8.280 nan 0.000 0.453 259 L N 6.050 126.786 121.223 -0.812 0.000 2.406 259 L HA 0.445 4.733 4.340 -0.087 0.000 0.272 259 L C -1.873 174.425 176.870 -0.952 0.000 0.980 259 L CA -0.508 53.934 54.840 -0.663 0.000 0.831 259 L CB 1.374 43.167 42.059 -0.443 0.000 1.253 259 L HN 0.827 nan 8.230 nan 0.000 0.406 260 H N 5.276 123.771 119.070 -0.958 0.000 2.597 260 H HA 0.512 5.016 4.556 -0.087 0.000 0.303 260 H C -1.024 174.056 175.328 -0.414 0.000 1.057 260 H CA -0.379 55.191 56.048 -0.797 0.000 1.261 260 H CB 0.841 29.916 29.762 -1.144 0.000 1.397 260 H HN 0.676 nan 8.280 nan 0.000 0.461 261 L N 6.191 127.124 121.223 -0.484 0.000 2.701 261 L HA 0.367 4.655 4.340 -0.087 0.000 0.237 261 L C 0.985 177.777 176.870 -0.130 0.000 1.204 261 L CA -0.391 54.314 54.840 -0.226 0.000 1.109 261 L CB 0.345 42.219 42.059 -0.307 0.000 1.409 261 L HN 0.788 nan 8.230 nan 0.000 0.428 262 G N -0.397 108.408 108.800 0.009 0.000 2.574 262 G HA2 0.152 4.060 3.960 -0.087 0.000 0.248 262 G HA3 0.152 4.060 3.960 -0.087 0.000 0.248 262 G C 0.848 175.863 174.900 0.191 0.000 1.422 262 G CA 0.020 45.190 45.100 0.116 0.000 1.051 262 G HN 0.241 nan 8.290 nan 0.000 0.560 263 T N 0.088 114.751 114.554 0.183 0.000 2.684 263 T HA -0.055 4.243 4.350 -0.087 0.000 0.267 263 T C 1.604 176.405 174.700 0.168 0.000 1.036 263 T CA 1.931 64.126 62.100 0.158 0.000 1.148 263 T CB -0.491 68.452 68.868 0.125 0.000 0.863 263 T HN 0.797 nan 8.240 nan 0.000 0.436 264 T N -1.419 113.256 114.554 0.202 0.000 2.870 264 T HA 0.731 5.029 4.350 -0.087 0.000 0.277 264 T C 0.062 174.952 174.700 0.316 0.000 1.000 264 T CA -0.408 61.828 62.100 0.226 0.000 0.982 264 T CB 2.097 71.085 68.868 0.201 0.000 1.249 264 T HN 0.339 nan 8.240 nan 0.000 0.589 265 G N -0.935 108.067 108.800 0.337 0.000 2.645 265 G HA2 0.641 4.549 3.960 -0.087 0.000 0.292 265 G HA3 0.641 4.549 3.960 -0.087 0.000 0.292 265 G C -2.011 173.160 174.900 0.451 0.000 1.415 265 G CA -0.994 44.327 45.100 0.368 0.000 0.785 265 G HN 1.075 nan 8.290 nan 0.000 0.483 266 W N -0.941 120.466 121.300 0.177 0.000 3.363 266 W HA 0.685 5.293 4.660 -0.087 0.000 0.306 266 W C -2.653 173.951 176.519 0.143 0.000 1.253 266 W CA -1.307 56.122 57.345 0.139 0.000 1.195 266 W CB 1.218 30.731 29.460 0.089 0.000 1.366 266 W HN 0.659 nan 8.180 nan 0.000 0.551 267 L N 2.984 124.411 121.223 0.340 0.000 2.341 267 L HA 0.878 5.166 4.340 -0.087 0.000 0.278 267 L C -0.623 176.447 176.870 0.333 0.000 1.005 267 L CA -0.582 54.380 54.840 0.203 0.000 0.818 267 L CB 1.470 43.608 42.059 0.132 0.000 1.259 267 L HN 0.633 nan 8.230 nan 0.000 0.418 268 A N 5.285 128.291 122.820 0.312 0.000 2.393 268 A HA 0.829 5.097 4.320 -0.087 0.000 0.306 268 A C -1.091 176.624 177.584 0.218 0.000 1.050 268 A CA -0.737 51.505 52.037 0.340 0.000 0.724 268 A CB 1.327 20.632 19.000 0.509 0.000 1.248 268 A HN 0.690 nan 8.150 nan 0.000 0.424 269 R N 2.817 123.423 120.500 0.177 0.000 2.476 269 R HA 0.528 4.816 4.340 -0.087 0.000 0.305 269 R C -1.888 174.478 176.300 0.109 0.000 0.965 269 R CA -0.636 55.540 56.100 0.126 0.000 0.867 269 R CB 1.096 31.461 30.300 0.109 0.000 1.176 269 R HN 0.673 nan 8.270 nan 0.000 0.447 270 L N 3.326 124.602 121.223 0.087 0.000 2.349 270 L HA 0.450 4.738 4.340 -0.087 0.000 0.275 270 L C -0.415 176.488 176.870 0.054 0.000 1.115 270 L CA 0.773 55.652 54.840 0.064 0.000 0.820 270 L CB 1.666 43.754 42.059 0.049 0.000 1.135 270 L HN 0.813 nan 8.230 nan 0.000 0.445 271 T N 2.503 117.086 114.554 0.048 0.000 2.739 271 T HA 0.375 4.673 4.350 -0.087 0.000 0.303 271 T C -1.486 173.233 174.700 0.032 0.000 1.389 271 T CA -0.679 61.445 62.100 0.041 0.000 1.001 271 T CB 1.069 69.967 68.868 0.050 0.000 1.436 271 T HN 0.639 nan 8.240 nan 0.000 0.500 272 Q N 1.534 121.350 119.800 0.027 0.000 2.314 272 Q HA 0.359 4.647 4.340 -0.087 0.000 0.258 272 Q C -0.200 175.811 176.000 0.018 0.000 0.954 272 Q CA -0.361 55.453 55.803 0.019 0.000 0.890 272 Q CB 0.350 29.098 28.738 0.016 0.000 1.210 272 Q HN 0.514 nan 8.270 nan 0.000 0.410 273 T N 3.888 118.448 114.554 0.010 0.000 2.822 273 T HA 0.022 4.320 4.350 -0.087 0.000 0.288 273 T C -0.139 174.562 174.700 0.003 0.000 0.991 273 T CA 0.138 62.241 62.100 0.004 0.000 1.176 273 T CB -0.167 68.697 68.868 -0.007 0.000 0.951 273 T HN 0.594 nan 8.240 nan 0.000 0.526 274 D N 2.863 123.267 120.400 0.007 0.000 2.450 274 D HA 0.448 5.036 4.640 -0.087 0.000 0.238 274 D C -3.037 173.264 176.300 0.001 0.000 1.020 274 D CA -2.572 51.434 54.000 0.010 0.000 1.010 274 D CB 0.354 41.169 40.800 0.025 0.000 1.342 274 D HN 0.102 nan 8.370 nan 0.000 0.530 275 P HA 0.050 nan 4.420 nan 0.000 0.264 275 P C -0.039 177.272 177.300 0.018 0.000 1.193 275 P CA -0.410 62.690 63.100 -0.001 0.000 0.763 275 P CB 0.535 32.240 31.700 0.008 0.000 0.810 276 V N 3.859 123.771 119.914 -0.004 0.000 2.673 276 V HA 0.299 4.367 4.120 -0.087 0.000 0.303 276 V C 1.011 177.186 176.094 0.134 0.000 1.046 276 V CA 0.796 63.117 62.300 0.035 0.000 1.126 276 V CB 0.424 32.178 31.823 -0.114 0.000 0.934 276 V HN 0.776 nan 8.190 nan 0.000 0.487 277 G N 4.577 113.511 108.800 0.223 0.000 2.510 277 G HA2 0.319 4.227 3.960 -0.087 0.000 0.280 277 G HA3 0.319 4.227 3.960 -0.087 0.000 0.280 277 G C -0.334 174.753 174.900 0.311 0.000 1.386 277 G CA -0.596 44.631 45.100 0.212 0.000 1.047 277 G HN 0.728 nan 8.290 nan 0.000 0.527 281 V N 0.481 120.286 119.914 -0.182 0.000 3.164 281 V HA 0.623 4.691 4.120 -0.087 0.000 0.388 281 V C 0.737 176.725 176.094 -0.176 0.000 1.279 281 V CA 0.604 62.810 62.300 -0.157 0.000 1.426 281 V CB -0.278 31.485 31.823 -0.099 0.000 1.330 281 V HN 0.950 nan 8.190 nan 0.000 0.511 282 G N -1.053 107.633 108.800 -0.191 0.000 2.596 282 G HA2 0.306 4.214 3.960 -0.087 0.000 0.300 282 G HA3 0.306 4.214 3.960 -0.087 0.000 0.300 282 G C -0.438 174.376 174.900 -0.143 0.000 1.370 282 G CA -0.628 44.363 45.100 -0.182 0.000 1.170 282 G HN 0.014 nan 8.290 nan 0.000 0.594 283 T N 3.489 117.979 114.554 -0.108 0.000 2.642 283 T HA 0.105 4.403 4.350 -0.087 0.000 0.258 283 T C 0.550 175.250 174.700 0.001 0.000 1.022 283 T CA 0.527 62.582 62.100 -0.076 0.000 1.266 283 T CB -0.280 68.582 68.868 -0.010 0.000 0.987 283 T HN 0.267 nan 8.240 nan 0.000 0.518 284 I N 4.890 125.451 120.570 -0.014 0.000 2.382 284 I HA 0.359 4.477 4.170 -0.087 0.000 0.285 284 I C 0.099 176.330 176.117 0.191 0.000 1.007 284 I CA -1.079 60.301 61.300 0.133 0.000 1.142 284 I CB 0.774 38.858 38.000 0.140 0.000 1.289 284 I HN 0.464 nan 8.210 nan 0.000 0.453 285 F N 5.699 125.745 119.950 0.160 0.000 2.410 285 F HA 0.380 4.854 4.527 -0.087 0.000 0.334 285 F C 0.924 176.788 175.800 0.107 0.000 1.134 285 F CA -0.169 57.905 58.000 0.123 0.000 1.227 285 F CB 0.782 39.802 39.000 0.034 0.000 1.194 285 F HN 0.246 nan 8.300 nan 0.000 0.571 286 R N 3.391 124.037 120.500 0.244 0.000 2.467 286 R HA 0.410 4.698 4.340 -0.087 0.000 0.299 286 R C -1.546 174.819 176.300 0.109 0.000 1.120 286 R CA -0.512 55.670 56.100 0.137 0.000 0.940 286 R CB 1.014 31.342 30.300 0.047 0.000 1.161 286 R HN 0.528 nan 8.270 nan 0.000 0.506 287 L N 2.595 123.871 121.223 0.089 0.000 2.276 287 L HA 0.588 4.876 4.340 -0.087 0.000 0.286 287 L C 0.600 177.481 176.870 0.020 0.000 1.061 287 L CA -0.634 54.229 54.840 0.039 0.000 0.807 287 L CB 1.387 43.428 42.059 -0.030 0.000 1.177 287 L HN 0.572 nan 8.230 nan 0.000 0.429 288 A N 1.944 124.777 122.820 0.023 0.000 2.252 288 A HA 0.712 4.980 4.320 -0.087 0.000 0.305 288 A C 1.070 178.635 177.584 -0.030 0.000 1.097 288 A CA 0.353 52.399 52.037 0.015 0.000 0.849 288 A CB 0.830 19.877 19.000 0.078 0.000 1.142 288 A HN 1.040 nan 8.150 nan 0.000 0.499 289 G N -0.871 107.911 108.800 -0.031 0.000 2.176 289 G HA2 -0.246 3.662 3.960 -0.087 0.000 0.253 289 G HA3 -0.246 3.662 3.960 -0.087 0.000 0.253 289 G C 0.758 175.623 174.900 -0.057 0.000 0.979 289 G CA 0.619 45.685 45.100 -0.056 0.000 0.641 289 G HN 0.627 nan 8.290 nan 0.000 0.530 290 I N 0.123 120.665 120.570 -0.048 0.000 2.286 290 I HA 0.161 4.279 4.170 -0.087 0.000 0.245 290 I C 1.044 177.140 176.117 -0.035 0.000 1.104 290 I CA 0.976 62.248 61.300 -0.047 0.000 1.397 290 I CB -0.091 37.884 38.000 -0.043 0.000 1.072 290 I HN 0.086 nan 8.210 nan 0.000 0.417 291 I N 0.467 121.023 120.570 -0.024 0.000 2.647 291 I HA 0.331 4.449 4.170 -0.087 0.000 0.295 291 I C 0.099 176.207 176.117 -0.016 0.000 1.078 291 I CA -0.914 60.376 61.300 -0.017 0.000 1.048 291 I CB 1.665 39.661 38.000 -0.008 0.000 1.239 291 I HN -0.095 nan 8.210 nan 0.000 0.421 292 A N 3.470 126.281 122.820 -0.016 0.000 2.545 292 A HA 0.424 4.692 4.320 -0.087 0.000 0.253 292 A C 1.243 178.822 177.584 -0.009 0.000 1.074 292 A CA 0.961 52.989 52.037 -0.014 0.000 0.760 292 A CB -0.601 18.390 19.000 -0.014 0.000 1.005 292 A HN 1.550 nan 8.150 nan 0.000 0.506 293 G N 2.065 110.860 108.800 -0.009 0.000 2.159 293 G HA2 -0.232 3.676 3.960 -0.087 0.000 0.256 293 G HA3 -0.232 3.676 3.960 -0.087 0.000 0.256 293 G C 0.177 175.077 174.900 -0.001 0.000 0.977 293 G CA 0.894 45.991 45.100 -0.006 0.000 0.652 293 G HN 0.876 nan 8.290 nan 0.000 0.531 294 K N -0.264 120.136 120.400 0.000 0.000 2.281 294 K HA 0.719 4.987 4.320 -0.087 0.000 0.242 294 K C -0.860 175.745 176.600 0.009 0.000 0.971 294 K CA -0.613 55.678 56.287 0.007 0.000 0.834 294 K CB 2.004 34.510 32.500 0.009 0.000 1.181 294 K HN 0.043 nan 8.250 nan 0.000 0.435 295 T N 1.634 116.200 114.554 0.020 0.000 2.879 295 T HA 0.257 4.555 4.350 -0.087 0.000 0.290 295 T C -1.277 173.449 174.700 0.044 0.000 0.993 295 T CA -0.676 61.441 62.100 0.027 0.000 0.975 295 T CB 1.022 69.908 68.868 0.029 0.000 0.981 295 T HN 0.259 nan 8.240 nan 0.000 0.439 296 L N 4.194 125.443 121.223 0.044 0.000 2.278 296 L HA 0.346 4.634 4.340 -0.087 0.000 0.287 296 L C 0.082 177.012 176.870 0.101 0.000 1.072 296 L CA 0.193 55.074 54.840 0.068 0.000 0.819 296 L CB 0.531 42.620 42.059 0.049 0.000 1.176 296 L HN 0.574 nan 8.230 nan 0.000 0.435 297 Q N 4.486 124.363 119.800 0.128 0.000 2.322 297 Q HA 0.455 4.743 4.340 -0.087 0.000 0.256 297 Q C -1.101 175.020 176.000 0.202 0.000 0.960 297 Q CA -0.530 55.371 55.803 0.163 0.000 0.934 297 Q CB 1.897 30.726 28.738 0.152 0.000 1.200 297 Q HN 0.450 nan 8.270 nan 0.000 0.435 298 V N 1.392 121.446 119.914 0.233 0.000 2.555 298 V HA 0.669 4.737 4.120 -0.087 0.000 0.302 298 V C -0.450 175.822 176.094 0.296 0.000 1.038 298 V CA -0.888 61.570 62.300 0.263 0.000 0.887 298 V CB 1.743 33.644 31.823 0.130 0.000 0.991 298 V HN 0.796 nan 8.190 nan 0.000 0.434 299 A N 6.549 129.546 122.820 0.295 0.000 2.267 299 A HA 0.864 5.132 4.320 -0.087 0.000 0.315 299 A C -2.847 174.919 177.584 0.303 0.000 1.297 299 A CA -1.757 50.440 52.037 0.265 0.000 0.865 299 A CB 0.987 20.112 19.000 0.208 0.000 1.165 299 A HN 0.604 nan 8.150 nan 0.000 0.513 300 P HA 0.359 nan 4.420 nan 0.000 0.287 300 P C -0.646 176.805 177.300 0.251 0.000 1.281 300 P CA -0.168 63.095 63.100 0.271 0.000 0.781 300 P CB 1.466 33.308 31.700 0.237 0.000 0.903 301 V N 5.415 125.497 119.914 0.281 0.000 2.448 301 V HA 0.215 4.283 4.120 -0.087 0.000 0.295 301 V C 1.115 177.353 176.094 0.239 0.000 1.025 301 V CA -0.233 62.219 62.300 0.253 0.000 0.859 301 V CB 1.488 33.472 31.823 0.268 0.000 0.988 301 V HN 0.505 nan 8.190 nan 0.000 0.431 302 L N 4.253 125.603 121.223 0.212 0.000 2.585 302 L HA 0.345 4.633 4.340 -0.087 0.000 0.226 302 L C 0.528 177.496 176.870 0.163 0.000 1.113 302 L CA 0.378 55.321 54.840 0.171 0.000 0.876 302 L CB 0.150 42.292 42.059 0.139 0.000 1.072 302 L HN 0.570 nan 8.230 nan 0.000 0.468 303 N N 0.147 118.987 118.700 0.233 0.000 2.531 303 N HA 0.541 5.229 4.740 -0.087 0.000 0.268 303 N C -0.204 175.460 175.510 0.257 0.000 1.023 303 N CA 0.193 53.385 53.050 0.237 0.000 0.896 303 N CB 2.339 41.002 38.487 0.294 0.000 1.233 303 N HN 0.071 nan 8.380 nan 0.000 0.512 304 A N 1.543 124.510 122.820 0.245 0.000 2.363 304 A HA 0.540 4.808 4.320 -0.087 0.000 0.180 304 A C 1.317 179.085 177.584 0.308 0.000 1.219 304 A CA 0.470 52.721 52.037 0.357 0.000 1.864 304 A CB -0.720 18.490 19.000 0.350 0.000 2.313 304 A HN 0.408 nan 8.150 nan 0.000 0.894 305 G N 1.131 110.137 108.800 0.342 0.000 2.586 305 G HA2 -0.134 3.774 3.960 -0.087 0.000 0.215 305 G HA3 -0.134 3.774 3.960 -0.087 0.000 0.215 305 G C 0.820 175.813 174.900 0.155 0.000 1.128 305 G CA 1.571 46.819 45.100 0.246 0.000 0.774 305 G HN 0.748 nan 8.290 nan 0.000 0.543 306 N N 0.622 119.413 118.700 0.151 0.000 2.416 306 N HA -0.035 4.653 4.740 -0.087 0.000 0.177 306 N C 1.683 177.321 175.510 0.213 0.000 1.036 306 N CA 0.335 53.477 53.050 0.154 0.000 0.901 306 N CB -0.212 38.310 38.487 0.058 0.000 0.976 306 N HN 0.182 nan 8.380 nan 0.000 0.444 307 I N 0.849 121.518 120.570 0.164 0.000 2.179 307 I HA -0.122 3.996 4.170 -0.087 0.000 0.242 307 I C 2.044 178.259 176.117 0.164 0.000 1.088 307 I CA 0.511 61.921 61.300 0.183 0.000 1.357 307 I CB -1.218 36.849 38.000 0.113 0.000 1.051 307 I HN 0.059 nan 8.210 nan 0.000 0.409 308 L N 0.017 121.228 121.223 -0.020 0.000 2.012 308 L HA -0.226 4.062 4.340 -0.087 0.000 0.210 308 L C 2.653 179.544 176.870 0.036 0.000 1.073 308 L CA 1.604 56.418 54.840 -0.044 0.000 0.748 308 L CB -0.984 41.024 42.059 -0.084 0.000 0.891 308 L HN 0.260 nan 8.230 nan 0.000 0.431 309 Q N -1.285 118.589 119.800 0.125 0.000 2.135 309 Q HA -0.277 4.011 4.340 -0.087 0.000 0.204 309 Q C 2.099 178.089 176.000 -0.016 0.000 0.981 309 Q CA 2.086 57.921 55.803 0.053 0.000 0.856 309 Q CB -0.459 28.374 28.738 0.159 0.000 0.902 309 Q HN 0.552 nan 8.270 nan 0.000 0.425 310 W N 0.101 121.381 121.300 -0.034 0.000 2.381 310 W HA -0.051 4.592 4.660 -0.028 0.000 0.301 310 W C 1.893 178.362 176.519 -0.082 0.000 1.205 310 W CA 1.867 59.202 57.345 -0.018 0.000 1.285 310 W CB -0.616 28.877 29.460 0.054 0.000 1.133 310 W HN 0.156 nan 8.180 nan 0.000 0.521 311 A N 0.672 123.328 122.820 -0.273 0.000 2.178 311 A HA -0.139 4.129 4.320 -0.087 0.000 0.218 311 A C 1.937 179.166 177.584 -0.592 0.000 1.157 311 A CA 1.522 53.170 52.037 -0.647 0.000 0.689 311 A CB -1.041 17.804 19.000 -0.259 0.000 0.787 311 A HN 0.471 nan 8.150 nan 0.000 0.465 312 L N -1.220 119.697 121.223 -0.509 0.000 2.265 312 L HA -0.144 4.144 4.340 -0.087 0.000 0.215 312 L C 2.685 179.289 176.870 -0.444 0.000 1.117 312 L CA 1.453 56.004 54.840 -0.482 0.000 0.782 312 L CB -0.882 40.773 42.059 -0.674 0.000 0.914 312 L HN 0.445 nan 8.230 nan 0.000 0.441 313 T N 0.176 114.417 114.554 -0.522 0.000 2.778 313 T HA -0.177 4.121 4.350 -0.087 0.000 0.269 313 T C 1.846 176.318 174.700 -0.379 0.000 1.050 313 T CA 1.293 63.126 62.100 -0.445 0.000 1.137 313 T CB -0.112 68.427 68.868 -0.548 0.000 0.860 313 T HN 0.256 nan 8.240 nan 0.000 0.468 314 L N 1.054 122.015 121.223 -0.436 0.000 2.201 314 L HA 0.006 4.294 4.340 -0.087 0.000 0.212 314 L C 2.204 178.973 176.870 -0.169 0.000 1.105 314 L CA 1.054 55.719 54.840 -0.292 0.000 0.775 314 L CB -0.333 41.540 42.059 -0.310 0.000 0.913 314 L HN 0.320 nan 8.230 nan 0.000 0.440 315 V N -3.848 115.982 119.914 -0.141 0.000 3.342 315 V HA 0.529 4.597 4.120 -0.087 0.000 0.322 315 V C 1.064 177.205 176.094 0.078 0.000 1.370 315 V CA 0.296 62.592 62.300 -0.007 0.000 1.170 315 V CB -0.162 31.697 31.823 0.060 0.000 1.101 315 V HN 0.451 nan 8.190 nan 0.000 0.442 316 G N 0.003 108.759 108.800 -0.074 0.000 2.148 316 G HA2 -0.239 3.669 3.960 -0.087 0.000 0.203 316 G HA3 -0.239 3.669 3.960 -0.087 0.000 0.203 316 G C 0.188 174.913 174.900 -0.292 0.000 0.993 316 G CA 0.224 45.285 45.100 -0.064 0.000 0.661 316 G HN 0.933 nan 8.290 nan 0.000 0.518 317 H N 1.154 119.734 119.070 -0.818 0.000 2.815 317 H HA 0.515 5.012 4.556 -0.098 0.000 0.350 317 H C 0.314 175.336 175.328 -0.510 0.000 1.080 317 H CA 0.421 55.787 56.048 -1.136 0.000 1.433 317 H CB 0.493 29.549 29.762 -1.176 0.000 1.432 317 H HN 0.405 nan 8.280 nan 0.000 0.592 318 R N 4.278 124.130 120.500 -1.080 0.000 2.807 318 R HA 0.205 4.493 4.340 -0.087 0.000 0.276 318 R C -1.774 174.075 176.300 -0.750 0.000 0.979 318 R CA -1.906 53.787 56.100 -0.678 0.000 0.928 318 R CB 1.447 31.542 30.300 -0.342 0.000 1.191 318 R HN 0.447 nan 8.270 nan 0.000 0.471 319 P HA -0.255 nan 4.420 nan 0.000 0.222 319 P C 0.849 178.092 177.300 -0.095 0.000 1.155 319 P CA 1.805 64.813 63.100 -0.154 0.000 0.890 319 P CB 0.172 31.825 31.700 -0.078 0.000 0.790 320 G N -1.850 106.882 108.800 -0.113 0.000 3.233 320 G HA2 0.043 3.951 3.960 -0.087 0.000 0.234 320 G HA3 0.043 3.951 3.960 -0.087 0.000 0.234 320 G C 0.114 175.014 174.900 0.000 0.000 1.137 320 G CA -0.110 44.971 45.100 -0.030 0.000 0.763 320 G HN 0.268 nan 8.290 nan 0.000 0.549 321 E N 0.681 120.860 120.200 -0.034 0.000 2.283 321 E HA 0.238 4.537 4.350 -0.087 0.000 0.271 321 E C -0.901 175.845 176.600 0.244 0.000 1.031 321 E CA -0.767 55.681 56.400 0.080 0.000 0.868 321 E CB 1.360 31.082 29.700 0.037 0.000 1.094 321 E HN 0.048 nan 8.360 nan 0.000 0.401 322 D N 0.672 121.196 120.400 0.208 0.000 2.399 322 D HA -0.028 4.560 4.640 -0.087 0.000 0.241 322 D C -0.030 176.441 176.300 0.285 0.000 1.133 322 D CA -0.114 54.007 54.000 0.202 0.000 0.890 322 D CB 0.833 41.714 40.800 0.135 0.000 1.201 322 D HN 0.337 nan 8.370 nan 0.000 0.432 323 C N 3.097 122.526 119.300 0.215 0.000 2.673 323 C HA 0.312 4.720 4.460 -0.087 0.000 0.264 323 C C 2.360 177.506 174.990 0.260 0.000 1.304 323 C CA 0.367 59.464 59.018 0.132 0.000 1.727 323 C CB -1.278 26.469 27.740 0.011 0.000 1.932 323 C HN 0.768 nan 8.230 nan 0.000 0.563 324 A N 2.339 125.317 122.820 0.264 0.000 1.884 324 A HA -0.283 3.985 4.320 -0.087 0.000 0.219 324 A C 2.056 179.740 177.584 0.168 0.000 1.197 324 A CA 2.295 54.475 52.037 0.239 0.000 0.637 324 A CB -0.703 18.367 19.000 0.118 0.000 0.827 324 A HN 0.805 nan 8.150 nan 0.000 0.450 325 E N -2.019 118.186 120.200 0.009 0.000 2.268 325 E HA -0.182 4.116 4.350 -0.087 0.000 0.195 325 E C 1.628 178.119 176.600 -0.183 0.000 0.995 325 E CA 1.259 57.567 56.400 -0.153 0.000 0.836 325 E CB -0.436 29.064 29.700 -0.333 0.000 0.763 325 E HN 0.745 nan 8.360 nan 0.000 0.491 326 Y N -0.223 120.080 120.300 0.005 0.000 2.269 326 Y HA 0.054 4.548 4.550 -0.092 0.000 0.294 326 Y C 1.804 177.630 175.900 -0.124 0.000 1.120 326 Y CA 0.572 58.610 58.100 -0.103 0.000 1.159 326 Y CB -0.327 37.992 38.460 -0.236 0.000 1.024 326 Y HN -0.038 nan 8.280 nan 0.000 0.532 327 F N -0.431 119.591 119.950 0.119 0.000 2.161 327 F HA -0.171 4.313 4.527 -0.072 0.000 0.300 327 F C 1.696 177.526 175.800 0.052 0.000 1.089 327 F CA 1.317 59.348 58.000 0.052 0.000 1.282 327 F CB -1.115 37.909 39.000 0.041 0.000 1.010 327 F HN 0.121 nan 8.300 nan 0.000 0.485 331 A N 0.630 123.430 122.820 -0.033 0.000 1.873 331 A HA 0.353 4.621 4.320 -0.087 0.000 0.215 331 A C 2.390 179.919 177.584 -0.091 0.000 1.186 331 A CA 2.383 54.391 52.037 -0.049 0.000 0.616 331 A CB -1.041 17.928 19.000 -0.050 0.000 0.823 331 A HN 1.613 nan 8.150 nan 0.000 0.442 332 A N -0.321 122.402 122.820 -0.161 0.000 1.908 332 A HA -0.225 4.043 4.320 -0.087 0.000 0.218 332 A C 2.007 179.545 177.584 -0.078 0.000 1.181 332 A CA 1.964 53.913 52.037 -0.147 0.000 0.627 332 A CB -0.563 18.318 19.000 -0.199 0.000 0.818 332 A HN 0.656 nan 8.150 nan 0.000 0.445 333 E N -0.186 119.976 120.200 -0.064 0.000 2.150 333 E HA -0.106 4.192 4.350 -0.087 0.000 0.193 333 E C 1.606 178.185 176.600 -0.035 0.000 0.985 333 E CA 1.317 57.691 56.400 -0.043 0.000 0.814 333 E CB -0.082 29.594 29.700 -0.039 0.000 0.752 333 E HN 0.560 nan 8.360 nan 0.000 0.466 334 V N -1.067 118.826 119.914 -0.035 0.000 3.623 334 V HA 0.109 4.177 4.120 -0.087 0.000 0.271 334 V C 0.576 176.660 176.094 -0.016 0.000 1.248 334 V CA -0.034 62.252 62.300 -0.024 0.000 1.156 334 V CB -0.349 31.462 31.823 -0.021 0.000 0.870 334 V HN 0.059 nan 8.190 nan 0.000 0.453 335 Q N 1.325 121.111 119.800 -0.023 0.000 2.289 335 Q HA 0.429 4.717 4.340 -0.087 0.000 0.273 335 Q C 1.397 177.391 176.000 -0.011 0.000 1.029 335 Q CA 0.841 56.634 55.803 -0.018 0.000 0.896 335 Q CB 0.804 29.526 28.738 -0.026 0.000 1.182 335 Q HN 0.813 nan 8.270 nan 0.000 0.385 336 G N 1.771 110.568 108.800 -0.005 0.000 2.166 336 G HA2 -0.268 3.640 3.960 -0.087 0.000 0.260 336 G HA3 -0.268 3.640 3.960 -0.087 0.000 0.260 336 G C 0.165 175.065 174.900 0.000 0.000 0.986 336 G CA 0.244 45.343 45.100 -0.002 0.000 0.683 336 G HN 0.475 nan 8.290 nan 0.000 0.527 337 V N 0.344 120.258 119.914 -0.000 0.000 2.785 337 V HA 0.682 4.750 4.120 -0.087 0.000 0.300 337 V C 0.766 176.865 176.094 0.008 0.000 1.062 337 V CA 0.217 62.518 62.300 0.002 0.000 1.029 337 V CB 1.759 33.581 31.823 -0.002 0.000 1.024 337 V HN 0.268 nan 8.190 nan 0.000 0.477 338 T N 2.554 117.114 114.554 0.011 0.000 2.863 338 T HA 0.483 4.781 4.350 -0.087 0.000 0.285 338 T C -0.518 174.195 174.700 0.021 0.000 1.009 338 T CA -0.360 61.750 62.100 0.017 0.000 0.989 338 T CB 1.710 70.588 68.868 0.016 0.000 1.004 338 T HN 0.366 nan 8.240 nan 0.000 0.455 339 V N 5.495 125.426 119.914 0.028 0.000 2.432 339 V HA 0.268 4.336 4.120 -0.087 0.000 0.271 339 V C -1.975 174.143 176.094 0.040 0.000 1.046 339 V CA -1.740 60.583 62.300 0.037 0.000 0.945 339 V CB 0.399 32.251 31.823 0.049 0.000 0.992 339 V HN 0.730 nan 8.190 nan 0.000 0.471 340 P HA 0.109 nan 4.420 nan 0.000 0.267 340 P C 0.335 177.664 177.300 0.049 0.000 1.200 340 P CA -0.105 63.020 63.100 0.040 0.000 0.772 340 P CB 0.614 32.337 31.700 0.039 0.000 0.855 341 D N 1.525 121.952 120.400 0.045 0.000 2.218 341 D HA -0.084 4.504 4.640 -0.087 0.000 0.204 341 D C 2.025 178.360 176.300 0.058 0.000 0.976 341 D CA 1.551 55.581 54.000 0.051 0.000 0.853 341 D CB -0.396 40.429 40.800 0.042 0.000 0.939 341 D HN 0.551 nan 8.370 nan 0.000 0.481 342 G N -0.603 108.229 108.800 0.052 0.000 2.683 342 G HA2 0.004 3.912 3.960 -0.087 0.000 0.213 342 G HA3 0.004 3.912 3.960 -0.087 0.000 0.213 342 G C 0.463 175.403 174.900 0.066 0.000 1.142 342 G CA -0.229 44.903 45.100 0.052 0.000 0.793 342 G HN 0.170 nan 8.290 nan 0.000 0.534 343 L N 0.937 122.204 121.223 0.073 0.000 2.290 343 L HA 0.722 5.010 4.340 -0.087 0.000 0.284 343 L C -0.768 176.177 176.870 0.124 0.000 1.078 343 L CA -0.585 54.309 54.840 0.090 0.000 0.815 343 L CB 1.373 43.479 42.059 0.079 0.000 1.162 343 L HN 0.024 nan 8.230 nan 0.000 0.435 344 L N 5.285 126.599 121.223 0.152 0.000 2.470 344 L HA 0.521 4.809 4.340 -0.087 0.000 0.268 344 L C -1.775 175.248 176.870 0.255 0.000 0.964 344 L CA -0.477 54.486 54.840 0.204 0.000 0.839 344 L CB 1.674 43.839 42.059 0.177 0.000 1.276 344 L HN 0.574 nan 8.230 nan 0.000 0.403 345 F N 5.659 125.694 119.950 0.142 0.000 2.426 345 F HA 0.632 5.119 4.527 -0.065 0.000 0.348 345 F C -0.918 174.976 175.800 0.157 0.000 1.124 345 F CA -0.646 57.420 58.000 0.111 0.000 1.008 345 F CB 1.492 40.544 39.000 0.086 0.000 1.139 345 F HN 0.111 nan 8.300 nan 0.000 0.452 346 V N 8.969 128.526 119.914 -0.594 0.000 2.364 346 V HA 0.313 4.381 4.120 -0.087 0.000 0.272 346 V C -1.896 173.623 176.094 -0.959 0.000 1.036 346 V CA -1.179 60.819 62.300 -0.504 0.000 0.880 346 V CB 1.190 32.812 31.823 -0.336 0.000 0.991 346 V HN 0.647 nan 8.190 nan 0.000 0.460 347 P HA 0.195 nan 4.420 nan 0.000 0.263 347 P C -0.401 176.629 177.300 -0.451 0.000 1.448 347 P CA -0.162 62.614 63.100 -0.540 0.000 0.983 347 P CB -0.066 31.556 31.700 -0.131 0.000 1.481 348 Y N 0.663 120.905 120.300 -0.098 0.000 2.735 348 Y HA 0.194 4.695 4.550 -0.081 0.000 0.354 348 Y C 1.740 177.578 175.900 -0.104 0.000 1.288 348 Y CA -0.295 57.785 58.100 -0.033 0.000 1.836 348 Y CB -0.780 37.664 38.460 -0.026 0.000 1.920 348 Y HN -0.125 nan 8.280 nan 0.000 0.438 349 L N 0.170 121.363 121.223 -0.050 0.000 2.465 349 L HA -0.023 4.265 4.340 -0.087 0.000 0.224 349 L C 0.069 176.677 176.870 -0.437 0.000 1.145 349 L CA 0.747 55.415 54.840 -0.286 0.000 0.834 349 L CB -0.392 41.408 42.059 -0.433 0.000 0.944 349 L HN 0.518 nan 8.230 nan 0.000 0.451 350 H N -1.631 117.455 119.070 0.026 0.000 2.834 350 H HA 0.605 5.108 4.556 -0.087 0.000 0.369 350 H C 0.060 175.425 175.328 0.062 0.000 1.174 350 H CA -0.684 55.389 56.048 0.042 0.000 1.165 350 H CB 1.052 30.850 29.762 0.061 0.000 1.820 350 H HN -0.015 nan 8.280 nan 0.000 0.558 351 A N 0.989 123.901 122.820 0.153 0.000 2.555 351 A HA 0.284 4.552 4.320 -0.087 0.000 0.233 351 A C 0.153 177.794 177.584 0.095 0.000 1.060 351 A CA 0.361 52.446 52.037 0.080 0.000 0.759 351 A CB -0.118 18.911 19.000 0.048 0.000 0.995 351 A HN 0.677 nan 8.150 nan 0.000 0.506 352 E N -0.134 120.079 120.200 0.022 0.000 2.343 352 E HA 0.597 4.895 4.350 -0.087 0.000 0.270 352 E C 0.489 177.065 176.600 -0.040 0.000 0.895 352 E CA -0.522 55.883 56.400 0.008 0.000 0.767 352 E CB 1.395 31.046 29.700 -0.081 0.000 1.248 352 E HN 0.538 nan 8.360 nan 0.000 0.440 353 R N 0.949 121.445 120.500 -0.007 0.000 2.119 353 R HA 0.426 4.714 4.340 -0.087 0.000 0.202 353 R C -0.017 176.241 176.300 -0.070 0.000 1.114 353 R CA 0.085 56.171 56.100 -0.022 0.000 1.089 353 R CB 0.318 30.649 30.300 0.051 0.000 1.000 353 R HN 0.361 nan 8.270 nan 0.000 0.487 354 C N 1.475 120.761 119.300 -0.024 0.000 2.456 354 C HA 0.397 4.805 4.460 -0.087 0.000 0.325 354 C C -1.855 173.102 174.990 -0.055 0.000 1.217 354 C CA -1.637 57.341 59.018 -0.067 0.000 1.687 354 C CB 2.093 29.856 27.740 0.040 0.000 2.270 354 C HN 0.243 nan 8.230 nan 0.000 0.499 355 P HA 0.043 nan 4.420 nan 0.000 0.245 355 P C -0.360 176.501 177.300 -0.732 0.000 1.206 355 P CA 0.810 63.566 63.100 -0.574 0.000 0.781 355 P CB -0.019 31.016 31.700 -1.109 0.000 0.994 356 V N -3.635 115.922 119.914 -0.595 0.000 2.925 356 V HA 0.530 4.598 4.120 -0.087 0.000 0.311 356 V C -0.344 175.554 176.094 -0.327 0.000 1.104 356 V CA -1.611 60.391 62.300 -0.496 0.000 0.954 356 V CB 2.131 33.617 31.823 -0.561 0.000 1.022 356 V HN -0.318 nan 8.190 nan 0.000 0.427 357 E N 2.731 122.790 120.200 -0.234 0.000 2.159 357 E HA 0.446 4.744 4.350 -0.087 0.000 0.272 357 E C -1.005 175.498 176.600 -0.162 0.000 1.138 357 E CA 0.274 56.576 56.400 -0.163 0.000 0.915 357 E CB 0.170 29.795 29.700 -0.124 0.000 1.028 357 E HN 0.710 nan 8.360 nan 0.000 0.423 358 L N 8.166 129.299 121.223 -0.151 0.000 2.462 358 L HA 0.318 4.606 4.340 -0.087 0.000 0.255 358 L C -1.661 175.168 176.870 -0.069 0.000 1.076 358 L CA -1.523 53.241 54.840 -0.127 0.000 0.920 358 L CB 1.772 43.723 42.059 -0.180 0.000 1.214 358 L HN 0.502 nan 8.230 nan 0.000 0.472 359 P HA -0.099 nan 4.420 nan 0.000 0.220 359 P C 0.424 177.712 177.300 -0.019 0.000 1.148 359 P CA 0.705 63.787 63.100 -0.029 0.000 0.803 359 P CB 0.517 32.200 31.700 -0.028 0.000 0.782 360 A N 0.156 122.959 122.820 -0.028 0.000 2.337 360 A HA 0.644 4.912 4.320 -0.087 0.000 0.329 360 A C -2.639 174.929 177.584 -0.027 0.000 1.146 360 A CA -2.155 49.868 52.037 -0.024 0.000 0.800 360 A CB 0.205 19.188 19.000 -0.027 0.000 1.220 360 A HN -0.105 nan 8.150 nan 0.000 0.472 361 P HA 0.141 nan 4.420 nan 0.000 0.267 361 P C -0.449 176.833 177.300 -0.030 0.000 1.195 361 P CA 0.271 63.355 63.100 -0.028 0.000 0.773 361 P CB 0.317 31.967 31.700 -0.085 0.000 0.837 362 R N 1.328 121.829 120.500 0.001 0.000 2.718 362 R HA 0.457 4.745 4.340 -0.087 0.000 0.266 362 R C -0.607 175.661 176.300 -0.053 0.000 1.776 362 R CA -0.322 55.770 56.100 -0.014 0.000 1.567 362 R CB 0.149 30.457 30.300 0.012 0.000 1.336 362 R HN 0.675 nan 8.270 nan 0.000 0.619 363 G N 0.894 109.606 108.800 -0.146 0.000 2.335 363 G HA2 0.718 4.626 3.960 -0.087 0.000 0.316 363 G HA3 0.718 4.626 3.960 -0.087 0.000 0.316 363 G C -1.067 173.683 174.900 -0.250 0.000 1.129 363 G CA -0.258 44.671 45.100 -0.286 0.000 0.899 363 G HN 0.483 nan 8.290 nan 0.000 0.448 364 A N 1.681 124.290 122.820 -0.351 0.000 2.594 364 A HA 0.700 4.968 4.320 -0.087 0.000 0.295 364 A C -1.720 175.800 177.584 -0.107 0.000 1.071 364 A CA -0.629 51.306 52.037 -0.170 0.000 0.685 364 A CB 1.982 20.908 19.000 -0.123 0.000 1.285 364 A HN 1.191 nan 8.150 nan 0.000 0.405 365 L N 2.082 123.364 121.223 0.098 0.000 2.298 365 L HA 0.744 5.032 4.340 -0.087 0.000 0.284 365 L C -1.207 175.732 176.870 0.116 0.000 1.013 365 L CA -0.188 54.782 54.840 0.216 0.000 0.824 365 L CB 0.762 42.998 42.059 0.294 0.000 1.221 365 L HN 0.637 nan 8.230 nan 0.000 0.418 366 L N 4.488 125.772 121.223 0.102 0.000 2.322 366 L HA 0.716 5.004 4.340 -0.087 0.000 0.269 366 L C 1.117 178.030 176.870 0.072 0.000 1.012 366 L CA -0.610 54.269 54.840 0.064 0.000 0.815 366 L CB 1.647 43.728 42.059 0.036 0.000 1.295 366 L HN 0.777 nan 8.230 nan 0.000 0.438 367 G N 1.253 110.084 108.800 0.052 0.000 2.198 367 G HA2 -0.207 3.701 3.960 -0.087 0.000 0.260 367 G HA3 -0.207 3.701 3.960 -0.087 0.000 0.260 367 G C -0.068 174.863 174.900 0.051 0.000 1.025 367 G CA -0.018 45.111 45.100 0.049 0.000 0.769 367 G HN 0.336 nan 8.290 nan 0.000 0.507 368 V N 1.322 121.268 119.914 0.052 0.000 2.521 368 V HA 0.558 4.626 4.120 -0.087 0.000 0.286 368 V C 1.149 177.265 176.094 0.036 0.000 1.034 368 V CA 0.605 62.934 62.300 0.049 0.000 1.045 368 V CB 0.705 32.559 31.823 0.052 0.000 0.974 368 V HN 0.874 nan 8.190 nan 0.000 0.480 369 T N 1.434 116.008 114.554 0.032 0.000 2.807 369 T HA 0.567 4.865 4.350 -0.087 0.000 0.277 369 T C 1.284 175.998 174.700 0.022 0.000 1.006 369 T CA 0.001 62.117 62.100 0.025 0.000 1.006 369 T CB 1.604 70.486 68.868 0.023 0.000 1.274 369 T HN 0.660 nan 8.240 nan 0.000 0.569 370 G N -0.506 108.305 108.800 0.018 0.000 2.509 370 G HA2 0.202 4.110 3.960 -0.087 0.000 0.218 370 G HA3 0.202 4.110 3.960 -0.087 0.000 0.218 370 G C 1.347 176.255 174.900 0.015 0.000 1.124 370 G CA 0.552 45.661 45.100 0.016 0.000 0.776 370 G HN 1.099 nan 8.290 nan 0.000 0.547 371 A N -0.179 122.651 122.820 0.016 0.000 2.238 371 A HA 0.350 4.618 4.320 -0.087 0.000 0.210 371 A C 1.260 178.853 177.584 0.015 0.000 1.179 371 A CA 0.283 52.328 52.037 0.014 0.000 0.827 371 A CB -0.074 18.935 19.000 0.014 0.000 0.856 371 A HN 0.167 nan 8.150 nan 0.000 0.488 372 T N 2.443 117.008 114.554 0.019 0.000 2.853 372 T HA 0.356 4.654 4.350 -0.087 0.000 0.298 372 T C 0.637 175.345 174.700 0.014 0.000 0.978 372 T CA 0.805 62.918 62.100 0.021 0.000 1.152 372 T CB 0.467 69.352 68.868 0.029 0.000 0.914 372 T HN 0.568 nan 8.240 nan 0.000 0.539 373 T N 0.698 115.258 114.554 0.010 0.000 2.948 373 T HA 0.434 4.732 4.350 -0.087 0.000 0.285 373 T C 1.273 175.970 174.700 -0.004 0.000 1.019 373 T CA -1.154 60.948 62.100 0.002 0.000 1.013 373 T CB 1.637 70.505 68.868 -0.001 0.000 1.117 373 T HN 0.502 nan 8.240 nan 0.000 0.533 374 R N 0.130 120.623 120.500 -0.012 0.000 2.096 374 R HA -0.028 4.260 4.340 -0.087 0.000 0.235 374 R C 2.442 178.722 176.300 -0.034 0.000 1.127 374 R CA 1.441 57.526 56.100 -0.026 0.000 0.968 374 R CB -0.954 29.326 30.300 -0.033 0.000 0.861 374 R HN 0.818 nan 8.270 nan 0.000 0.440 375 A N 0.667 123.471 122.820 -0.026 0.000 1.902 375 A HA -0.215 4.053 4.320 -0.087 0.000 0.217 375 A C 2.017 179.586 177.584 -0.025 0.000 1.181 375 A CA 1.430 53.450 52.037 -0.028 0.000 0.623 375 A CB -0.434 18.554 19.000 -0.020 0.000 0.818 375 A HN 0.476 nan 8.150 nan 0.000 0.443 376 Q N -0.580 119.213 119.800 -0.012 0.000 2.167 376 Q HA -0.071 4.217 4.340 -0.087 0.000 0.202 376 Q C 1.964 177.959 176.000 -0.008 0.000 0.970 376 Q CA 1.318 57.120 55.803 -0.002 0.000 0.855 376 Q CB -0.289 28.456 28.738 0.011 0.000 0.911 376 Q HN 0.762 nan 8.270 nan 0.000 0.438 377 I N 0.404 120.962 120.570 -0.019 0.000 2.113 377 I HA -0.320 3.798 4.170 -0.087 0.000 0.238 377 I C 2.125 178.184 176.117 -0.097 0.000 1.070 377 I CA 1.155 62.432 61.300 -0.039 0.000 1.332 377 I CB -0.386 37.595 38.000 -0.033 0.000 1.044 377 I HN 0.221 nan 8.210 nan 0.000 0.402 378 L N -0.013 121.149 121.223 -0.102 0.000 2.021 378 L HA -0.285 4.003 4.340 -0.087 0.000 0.215 378 L C 2.634 179.433 176.870 -0.118 0.000 1.074 378 L CA 1.264 56.026 54.840 -0.131 0.000 0.760 378 L CB -0.694 41.304 42.059 -0.102 0.000 0.889 378 L HN 0.304 nan 8.230 nan 0.000 0.433 379 L N -0.016 121.167 121.223 -0.067 0.000 2.056 379 L HA -0.119 4.169 4.340 -0.087 0.000 0.207 379 L C 2.656 179.511 176.870 -0.025 0.000 1.078 379 L CA 1.965 56.782 54.840 -0.037 0.000 0.749 379 L CB -0.770 41.285 42.059 -0.008 0.000 0.901 379 L HN 0.166 nan 8.230 nan 0.000 0.433 380 A N -1.501 121.311 122.820 -0.014 0.000 2.019 380 A HA -0.142 4.126 4.320 -0.087 0.000 0.219 380 A C 2.298 179.906 177.584 0.039 0.000 1.164 380 A CA 1.741 53.807 52.037 0.048 0.000 0.644 380 A CB -0.932 18.123 19.000 0.091 0.000 0.805 380 A HN 0.286 nan 8.150 nan 0.000 0.449 381 V N 0.289 120.108 119.914 -0.159 0.000 2.295 381 V HA -0.269 3.799 4.120 -0.087 0.000 0.246 381 V C 2.573 178.596 176.094 -0.119 0.000 1.049 381 V CA 2.029 64.139 62.300 -0.317 0.000 1.024 381 V CB -0.709 30.802 31.823 -0.520 0.000 0.648 381 V HN 0.606 nan 8.190 nan 0.000 0.447 382 L N -0.315 120.805 121.223 -0.171 0.000 2.017 382 L HA -0.217 4.071 4.340 -0.087 0.000 0.208 382 L C 2.604 179.503 176.870 0.047 0.000 1.073 382 L CA 2.127 56.832 54.840 -0.224 0.000 0.745 382 L CB -0.810 41.171 42.059 -0.130 0.000 0.894 382 L HN 0.433 nan 8.230 nan 0.000 0.432 383 E N 0.620 120.869 120.200 0.083 0.000 2.058 383 E HA -0.218 4.080 4.350 -0.087 0.000 0.194 383 E C 2.151 178.818 176.600 0.112 0.000 0.997 383 E CA 1.471 57.939 56.400 0.113 0.000 0.801 383 E CB -0.166 29.588 29.700 0.091 0.000 0.746 383 E HN 0.486 nan 8.360 nan 0.000 0.450 384 G N 0.624 109.529 108.800 0.175 0.000 2.418 384 G HA2 -0.251 3.657 3.960 -0.087 0.000 0.217 384 G HA3 -0.251 3.657 3.960 -0.087 0.000 0.217 384 G C 1.656 176.652 174.900 0.160 0.000 1.158 384 G CA 1.077 46.309 45.100 0.219 0.000 0.771 384 G HN 0.425 nan 8.290 nan 0.000 0.545 385 A N 1.207 124.151 122.820 0.206 0.000 1.902 385 A HA 0.262 4.530 4.320 -0.087 0.000 0.217 385 A C 2.807 180.620 177.584 0.383 0.000 1.181 385 A CA 2.271 54.469 52.037 0.268 0.000 0.623 385 A CB -0.791 18.299 19.000 0.151 0.000 0.818 385 A HN 0.807 nan 8.150 nan 0.000 0.443 386 A N -0.472 122.597 122.820 0.415 0.000 1.969 386 A HA 0.029 4.297 4.320 -0.087 0.000 0.218 386 A C 2.110 179.732 177.584 0.063 0.000 1.169 386 A CA 1.336 53.532 52.037 0.264 0.000 0.635 386 A CB -0.510 18.634 19.000 0.239 0.000 0.810 386 A HN 0.477 nan 8.150 nan 0.000 0.445 387 L N -1.015 120.169 121.223 -0.065 0.000 2.156 387 L HA -0.110 4.178 4.340 -0.087 0.000 0.208 387 L C 2.855 179.683 176.870 -0.069 0.000 1.095 387 L CA 1.267 55.937 54.840 -0.282 0.000 0.770 387 L CB -0.408 41.117 42.059 -0.890 0.000 0.914 387 L HN 0.485 nan 8.230 nan 0.000 0.439 388 S N 0.313 116.077 115.700 0.106 0.000 2.368 388 S HA -0.142 4.276 4.470 -0.087 0.000 0.225 388 S C 2.003 176.837 174.600 0.390 0.000 1.030 388 S CA 1.181 59.659 58.200 0.464 0.000 0.999 388 S CB -0.150 63.316 63.200 0.443 0.000 0.844 388 S HN 0.294 nan 8.310 nan 0.000 0.459 389 L N 0.966 122.335 121.223 0.243 0.000 2.083 389 L HA -0.076 4.212 4.340 -0.087 0.000 0.209 389 L C 2.843 179.791 176.870 0.129 0.000 1.083 389 L CA 1.604 56.542 54.840 0.163 0.000 0.752 389 L CB -0.509 41.589 42.059 0.065 0.000 0.899 389 L HN 0.337 nan 8.230 nan 0.000 0.433 390 R N -0.515 120.020 120.500 0.058 0.000 2.081 390 R HA -0.237 4.051 4.340 -0.087 0.000 0.235 390 R C 2.335 178.704 176.300 0.116 0.000 1.131 390 R CA 1.547 57.591 56.100 -0.092 0.000 0.960 390 R CB -0.376 29.652 30.300 -0.453 0.000 0.856 390 R HN 0.381 nan 8.270 nan 0.000 0.436 391 W N 1.166 122.604 121.300 0.230 0.000 2.318 391 W HA -0.236 4.370 4.660 -0.090 0.000 0.313 391 W C 2.073 178.743 176.519 0.250 0.000 1.221 391 W CA 0.946 58.553 57.345 0.437 0.000 1.266 391 W CB -1.032 28.722 29.460 0.490 0.000 1.150 391 W HN 0.194 nan 8.180 nan 0.000 0.496 392 C N 0.153 119.697 119.300 0.406 0.000 2.429 392 C HA -0.119 4.289 4.460 -0.087 0.000 0.277 392 C C 3.069 178.183 174.990 0.206 0.000 1.262 392 C CA 1.751 60.909 59.018 0.233 0.000 1.733 392 C CB -1.622 26.233 27.740 0.192 0.000 2.010 392 C HN 0.392 nan 8.230 nan 0.000 0.483 393 A N 0.206 123.130 122.820 0.174 0.000 1.902 393 A HA -0.235 4.033 4.320 -0.087 0.000 0.217 393 A C 2.120 179.787 177.584 0.138 0.000 1.181 393 A CA 1.917 54.024 52.037 0.117 0.000 0.623 393 A CB -0.696 18.332 19.000 0.047 0.000 0.818 393 A HN 0.717 nan 8.150 nan 0.000 0.443 394 E N -0.097 120.217 120.200 0.190 0.000 2.085 394 E HA -0.184 4.114 4.350 -0.087 0.000 0.194 394 E C 1.898 178.633 176.600 0.226 0.000 0.994 394 E CA 1.229 57.761 56.400 0.220 0.000 0.801 394 E CB -0.225 29.672 29.700 0.329 0.000 0.743 394 E HN 0.644 nan 8.360 nan 0.000 0.453 395 L N 0.380 121.758 121.223 0.257 0.000 2.093 395 L HA -0.166 4.122 4.340 -0.087 0.000 0.208 395 L C 2.415 179.372 176.870 0.146 0.000 1.085 395 L CA 0.772 55.724 54.840 0.188 0.000 0.755 395 L CB -0.243 41.903 42.059 0.145 0.000 0.904 395 L HN 0.236 nan 8.230 nan 0.000 0.435 396 L N -0.430 120.881 121.223 0.147 0.000 2.552 396 L HA 0.114 4.402 4.340 -0.087 0.000 0.227 396 L C 1.244 178.184 176.870 0.116 0.000 1.146 396 L CA 0.211 55.132 54.840 0.135 0.000 0.858 396 L CB -0.930 41.212 42.059 0.139 0.000 0.969 396 L HN 0.428 nan 8.230 nan 0.000 0.451 400 K N 1.453 121.869 120.400 0.027 0.000 2.372 400 K HA 0.327 4.595 4.320 -0.087 0.000 0.200 400 K C 0.227 176.840 176.600 0.022 0.000 1.022 400 K CA 0.022 56.323 56.287 0.024 0.000 1.125 400 K CB 1.730 34.245 32.500 0.026 0.000 0.855 400 K HN -0.121 nan 8.250 nan 0.000 0.524 401 V N 1.189 121.115 119.914 0.021 0.000 2.508 401 V HA 0.065 4.133 4.120 -0.087 0.000 0.281 401 V C 1.372 177.472 176.094 0.010 0.000 1.041 401 V CA 0.226 62.536 62.300 0.018 0.000 1.016 401 V CB 1.234 33.068 31.823 0.019 0.000 0.984 401 V HN 0.430 nan 8.190 nan 0.000 0.478 402 G N 4.399 113.205 108.800 0.011 0.000 2.545 402 G HA2 0.220 4.128 3.960 -0.087 0.000 0.212 402 G HA3 0.220 4.128 3.960 -0.087 0.000 0.212 402 G C -0.033 174.866 174.900 -0.001 0.000 1.144 402 G CA 0.335 45.443 45.100 0.012 0.000 0.813 402 G HN 0.498 nan 8.290 nan 0.000 0.531 403 L N -0.290 120.924 121.223 -0.015 0.000 2.482 403 L HA 0.663 4.951 4.340 -0.087 0.000 0.263 403 L C -1.788 175.053 176.870 -0.049 0.000 0.957 403 L CA -0.789 54.025 54.840 -0.044 0.000 0.836 403 L CB 2.258 44.292 42.059 -0.042 0.000 1.324 403 L HN -0.047 nan 8.230 nan 0.000 0.406 404 L N 4.917 126.090 121.223 -0.084 0.000 2.325 404 L HA 0.540 4.828 4.340 -0.087 0.000 0.281 404 L C -0.708 176.079 176.870 -0.138 0.000 1.004 404 L CA -0.799 53.981 54.840 -0.099 0.000 0.823 404 L CB 1.373 43.356 42.059 -0.127 0.000 1.236 404 L HN 0.640 nan 8.230 nan 0.000 0.415 405 K N 4.265 124.592 120.400 -0.122 0.000 2.258 405 K HA 0.423 4.691 4.320 -0.087 0.000 0.284 405 K C -0.881 175.502 176.600 -0.363 0.000 1.051 405 K CA -0.441 55.750 56.287 -0.160 0.000 0.923 405 K CB 2.178 34.664 32.500 -0.024 0.000 1.046 405 K HN 0.283 nan 8.250 nan 0.000 0.474 406 V N 3.401 123.111 119.914 -0.341 0.000 2.540 406 V HA 0.406 4.474 4.120 -0.087 0.000 0.302 406 V C -0.139 175.728 176.094 -0.378 0.000 1.035 406 V CA -0.971 61.069 62.300 -0.433 0.000 0.873 406 V CB 1.782 33.403 31.823 -0.337 0.000 0.992 406 V HN 0.601 nan 8.190 nan 0.000 0.428 407 V N 1.422 121.040 119.914 -0.494 0.000 3.040 407 V HA 1.147 5.215 4.120 -0.087 0.000 0.312 407 V C -0.042 175.789 176.094 -0.437 0.000 1.115 407 V CA 0.009 62.112 62.300 -0.328 0.000 0.998 407 V CB 1.425 33.161 31.823 -0.145 0.000 1.042 407 V HN 1.891 nan 8.190 nan 0.000 0.433 408 G N 1.362 109.971 108.800 -0.319 0.000 2.440 408 G HA2 0.392 4.300 3.960 -0.087 0.000 0.684 408 G HA3 0.392 4.300 3.960 -0.087 0.000 0.684 408 G C 0.420 175.210 174.900 -0.183 0.000 1.309 408 G CA -0.192 44.709 45.100 -0.331 0.000 0.931 408 G HN 1.823 nan 8.290 nan 0.000 0.612 409 G N -0.347 108.378 108.800 -0.124 0.000 2.443 409 G HA2 0.295 4.203 3.960 -0.087 0.000 0.219 409 G HA3 0.295 4.203 3.960 -0.087 0.000 0.219 409 G C 1.950 176.810 174.900 -0.067 0.000 1.131 409 G CA 1.890 46.934 45.100 -0.094 0.000 0.775 409 G HN 1.903 nan 8.290 nan 0.000 0.547 410 G N 1.314 110.115 108.800 0.002 0.000 2.503 410 G HA2 -0.056 3.852 3.960 -0.087 0.000 0.221 410 G HA3 -0.056 3.852 3.960 -0.087 0.000 0.221 410 G C 1.897 176.863 174.900 0.111 0.000 1.131 410 G CA 1.381 46.585 45.100 0.174 0.000 0.756 410 G HN 0.663 nan 8.290 nan 0.000 0.572 411 A N 0.123 122.906 122.820 -0.061 0.000 2.248 411 A HA 0.109 4.377 4.320 -0.087 0.000 0.210 411 A C 2.305 179.861 177.584 -0.046 0.000 1.174 411 A CA 0.910 52.892 52.037 -0.092 0.000 0.750 411 A CB -0.305 18.602 19.000 -0.154 0.000 0.780 411 A HN 0.394 nan 8.150 nan 0.000 0.478 412 R N -0.027 120.446 120.500 -0.044 0.000 2.189 412 R HA -0.025 4.263 4.340 -0.087 0.000 0.218 412 R C 0.902 177.192 176.300 -0.016 0.000 1.074 412 R CA 0.901 56.964 56.100 -0.061 0.000 0.991 412 R CB -0.148 30.070 30.300 -0.136 0.000 0.883 412 R HN 0.426 nan 8.270 nan 0.000 0.457 413 S N 1.263 116.997 115.700 0.057 0.000 2.494 413 S HA 0.048 4.466 4.470 -0.087 0.000 0.312 413 S C 0.854 175.523 174.600 0.116 0.000 1.121 413 S CA -0.404 57.864 58.200 0.114 0.000 1.068 413 S CB 0.556 63.880 63.200 0.207 0.000 1.141 413 S HN 0.180 nan 8.310 nan 0.000 0.527 414 E N 3.443 123.676 120.200 0.055 0.000 2.130 414 E HA -0.205 4.093 4.350 -0.087 0.000 0.196 414 E C 2.203 178.838 176.600 0.059 0.000 0.998 414 E CA 1.434 57.854 56.400 0.034 0.000 0.806 414 E CB -0.189 29.519 29.700 0.013 0.000 0.738 414 E HN 0.891 nan 8.360 nan 0.000 0.459 415 A N 0.844 123.712 122.820 0.081 0.000 1.898 415 A HA -0.185 4.083 4.320 -0.087 0.000 0.216 415 A C 1.815 179.509 177.584 0.183 0.000 1.181 415 A CA 1.065 53.159 52.037 0.094 0.000 0.620 415 A CB -0.783 18.256 19.000 0.065 0.000 0.819 415 A HN 0.429 nan 8.150 nan 0.000 0.442 416 W N 0.817 122.107 121.300 -0.016 0.000 2.358 416 W HA -0.098 4.521 4.660 -0.069 0.000 0.303 416 W C 1.883 178.384 176.519 -0.031 0.000 1.208 416 W CA 1.299 58.635 57.345 -0.015 0.000 1.274 416 W CB -0.779 28.676 29.460 -0.010 0.000 1.138 416 W HN 0.283 nan 8.180 nan 0.000 0.515 417 L N 0.381 121.637 121.223 0.055 0.000 2.079 417 L HA -0.192 4.096 4.340 -0.087 0.000 0.210 417 L C 1.970 178.799 176.870 -0.068 0.000 1.081 417 L CA 1.237 56.012 54.840 -0.108 0.000 0.752 417 L CB -1.134 40.870 42.059 -0.091 0.000 0.896 417 L HN -0.154 nan 8.230 nan 0.000 0.433 421 A N 0.903 123.659 122.820 -0.106 0.000 1.908 421 A HA -0.229 4.039 4.320 -0.087 0.000 0.218 421 A C 1.693 179.244 177.584 -0.056 0.000 1.181 421 A CA 2.660 54.647 52.037 -0.084 0.000 0.627 421 A CB -0.542 18.415 19.000 -0.072 0.000 0.818 421 A HN 0.468 nan 8.150 nan 0.000 0.445 422 D N -0.242 120.135 120.400 -0.039 0.000 2.103 422 D HA -0.087 4.501 4.640 -0.087 0.000 0.199 422 D C 1.806 178.078 176.300 -0.046 0.000 0.978 422 D CA 1.156 55.140 54.000 -0.027 0.000 0.829 422 D CB -0.413 40.382 40.800 -0.008 0.000 0.981 422 D HN 0.522 nan 8.370 nan 0.000 0.464 423 N N -0.038 118.627 118.700 -0.058 0.000 2.300 423 N HA -0.053 4.635 4.740 -0.087 0.000 0.179 423 N C 1.453 176.874 175.510 -0.148 0.000 1.016 423 N CA 0.317 53.308 53.050 -0.098 0.000 0.876 423 N CB 0.239 38.672 38.487 -0.091 0.000 0.979 423 N HN 0.093 nan 8.380 nan 0.000 0.432 424 L N 1.164 122.314 121.223 -0.122 0.000 2.418 424 L HA 0.045 4.333 4.340 -0.087 0.000 0.218 424 L C 0.266 177.081 176.870 -0.093 0.000 1.125 424 L CA 0.363 55.129 54.840 -0.123 0.000 0.835 424 L CB -0.874 41.124 42.059 -0.102 0.000 0.953 424 L HN 0.149 nan 8.230 nan 0.000 0.454 425 N N -0.506 118.149 118.700 -0.074 0.000 2.696 425 N HA -0.206 4.482 4.740 -0.087 0.000 0.256 425 N C -0.809 174.681 175.510 -0.032 0.000 1.031 425 N CA 0.814 53.837 53.050 -0.045 0.000 0.730 425 N CB -0.721 37.741 38.487 -0.041 0.000 0.894 425 N HN 0.106 nan 8.380 nan 0.000 0.544 426 V N -0.128 119.762 119.914 -0.040 0.000 3.049 426 V HA 0.679 4.747 4.120 -0.087 0.000 0.309 426 V C -0.038 176.024 176.094 -0.052 0.000 1.148 426 V CA -0.496 61.782 62.300 -0.036 0.000 0.990 426 V CB 2.238 34.032 31.823 -0.049 0.000 1.039 426 V HN 0.303 nan 8.190 nan 0.000 0.430 427 S N 4.729 120.394 115.700 -0.058 0.000 2.601 427 S HA 0.707 5.125 4.470 -0.087 0.000 0.271 427 S C -0.613 173.882 174.600 -0.176 0.000 1.305 427 S CA -0.371 57.735 58.200 -0.156 0.000 1.022 427 S CB 0.713 63.766 63.200 -0.244 0.000 0.940 427 S HN 0.553 nan 8.310 nan 0.000 0.525 428 L N 2.324 123.416 121.223 -0.218 0.000 2.381 428 L HA 0.674 4.962 4.340 -0.087 0.000 0.268 428 L C -1.195 175.559 176.870 -0.194 0.000 0.997 428 L CA -0.949 53.775 54.840 -0.193 0.000 0.818 428 L CB 1.491 43.437 42.059 -0.188 0.000 1.310 428 L HN 0.385 nan 8.230 nan 0.000 0.416 429 L N 2.901 124.023 121.223 -0.168 0.000 2.376 429 L HA 0.558 4.846 4.340 -0.087 0.000 0.275 429 L C -0.710 176.077 176.870 -0.138 0.000 0.987 429 L CA -0.329 54.426 54.840 -0.141 0.000 0.828 429 L CB 1.983 43.971 42.059 -0.118 0.000 1.249 429 L HN 0.278 nan 8.230 nan 0.000 0.409 430 V N 5.253 125.094 119.914 -0.122 0.000 2.530 430 V HA 0.434 4.502 4.120 -0.087 0.000 0.282 430 V C -0.018 176.030 176.094 -0.077 0.000 1.048 430 V CA -0.594 61.637 62.300 -0.116 0.000 0.997 430 V CB 1.077 32.838 31.823 -0.104 0.000 0.987 430 V HN 0.574 nan 8.190 nan 0.000 0.477 431 K N 5.910 126.277 120.400 -0.056 0.000 2.389 431 K HA 0.471 4.739 4.320 -0.087 0.000 0.261 431 K C -2.663 174.012 176.600 0.125 0.000 1.014 431 K CA -2.158 54.137 56.287 0.013 0.000 0.920 431 K CB 1.581 34.044 32.500 -0.061 0.000 1.149 431 K HN 0.357 nan 8.250 nan 0.000 0.444 432 P HA 0.199 nan 4.420 nan 0.000 0.276 432 P C -0.725 176.605 177.300 0.051 0.000 1.252 432 P CA -0.167 62.962 63.100 0.048 0.000 0.802 432 P CB 0.473 32.184 31.700 0.020 0.000 1.035 433 D N -0.679 119.701 120.400 -0.034 0.000 2.737 433 D HA -0.155 4.433 4.640 -0.087 0.000 0.243 433 D C 0.929 176.912 176.300 -0.528 0.000 1.109 433 D CA 1.002 54.910 54.000 -0.154 0.000 0.702 433 D CB -1.446 39.245 40.800 -0.182 0.000 1.068 433 D HN 0.491 nan 8.370 nan 0.000 0.432 434 A N 0.610 123.155 122.820 -0.459 0.000 2.131 434 A HA -0.248 4.020 4.320 -0.087 0.000 0.220 434 A C 1.876 179.148 177.584 -0.518 0.000 1.158 434 A CA 1.805 53.347 52.037 -0.825 0.000 0.665 434 A CB -0.616 18.225 19.000 -0.265 0.000 0.795 434 A HN 0.712 nan 8.150 nan 0.000 0.460 435 H N -0.985 117.932 119.070 -0.255 0.000 2.502 435 H HA 0.105 4.609 4.556 -0.087 0.000 0.283 435 H C 1.559 176.847 175.328 -0.067 0.000 1.015 435 H CA 1.144 57.131 56.048 -0.102 0.000 1.298 435 H CB -0.623 29.108 29.762 -0.051 0.000 1.411 435 H HN 0.479 nan 8.280 nan 0.000 0.556 436 L N 0.414 121.285 121.223 -0.585 0.000 2.492 436 L HA 0.021 4.309 4.340 -0.087 0.000 0.223 436 L C 2.263 179.130 176.870 -0.006 0.000 1.132 436 L CA 0.275 54.962 54.840 -0.257 0.000 0.850 436 L CB -0.466 41.417 42.059 -0.293 0.000 0.966 436 L HN 0.305 nan 8.230 nan 0.000 0.454 437 H N 0.552 119.588 119.070 -0.058 0.000 2.290 437 H HA -0.137 4.367 4.556 -0.087 0.000 0.298 437 H C -0.477 174.861 175.328 0.017 0.000 1.087 437 H CA 1.155 57.203 56.048 0.001 0.000 1.291 437 H CB -1.044 28.745 29.762 0.046 0.000 1.369 437 H HN 0.290 nan 8.280 nan 0.000 0.492 438 P HA -0.137 nan 4.420 nan 0.000 0.217 438 P C 1.321 178.663 177.300 0.069 0.000 1.150 438 P CA 1.126 64.279 63.100 0.088 0.000 0.832 438 P CB -0.073 31.670 31.700 0.071 0.000 0.787 439 L N -0.875 120.390 121.223 0.070 0.000 2.046 439 L HA -0.152 4.136 4.340 -0.087 0.000 0.208 439 L C 2.642 179.557 176.870 0.075 0.000 1.077 439 L CA 1.631 56.508 54.840 0.062 0.000 0.747 439 L CB -0.871 41.218 42.059 0.050 0.000 0.896 439 L HN -0.080 nan 8.230 nan 0.000 0.432 440 R N 0.233 120.789 120.500 0.094 0.000 2.096 440 R HA -0.099 4.189 4.340 -0.087 0.000 0.235 440 R C 2.451 178.820 176.300 0.116 0.000 1.127 440 R CA 1.260 57.437 56.100 0.129 0.000 0.968 440 R CB -0.743 29.626 30.300 0.115 0.000 0.861 440 R HN 0.452 nan 8.270 nan 0.000 0.440 441 G N 1.321 110.164 108.800 0.071 0.000 2.414 441 G HA2 -0.212 3.696 3.960 -0.087 0.000 0.215 441 G HA3 -0.212 3.696 3.960 -0.087 0.000 0.215 441 G C 1.463 176.363 174.900 0.000 0.000 1.188 441 G CA 0.418 45.539 45.100 0.035 0.000 0.783 441 G HN 0.098 nan 8.290 nan 0.000 0.537 442 L N 0.833 122.057 121.223 0.002 0.000 2.012 442 L HA -0.116 4.172 4.340 -0.087 0.000 0.210 442 L C 3.428 180.254 176.870 -0.074 0.000 1.073 442 L CA 1.190 56.014 54.840 -0.026 0.000 0.748 442 L CB -0.467 41.597 42.059 0.008 0.000 0.891 442 L HN 0.307 nan 8.230 nan 0.000 0.431 443 A N -0.116 122.677 122.820 -0.045 0.000 1.933 443 A HA -0.160 4.108 4.320 -0.087 0.000 0.218 443 A C 2.513 179.848 177.584 -0.415 0.000 1.175 443 A CA 1.780 53.751 52.037 -0.110 0.000 0.628 443 A CB -0.659 18.389 19.000 0.079 0.000 0.814 443 A HN 0.421 nan 8.150 nan 0.000 0.444 444 A N 0.201 122.822 122.820 -0.331 0.000 1.898 444 A HA 0.075 4.343 4.320 -0.087 0.000 0.216 444 A C 2.136 179.504 177.584 -0.360 0.000 1.181 444 A CA 1.599 53.324 52.037 -0.521 0.000 0.620 444 A CB -0.726 18.290 19.000 0.027 0.000 0.819 444 A HN 1.043 nan 8.150 nan 0.000 0.442 445 L N -1.496 119.603 121.223 -0.205 0.000 2.056 445 L HA 0.123 4.411 4.340 -0.087 0.000 0.207 445 L C 2.407 179.143 176.870 -0.222 0.000 1.078 445 L CA 2.197 56.937 54.840 -0.167 0.000 0.749 445 L CB -1.331 40.663 42.059 -0.108 0.000 0.901 445 L HN 0.186 nan 8.230 nan 0.000 0.433 446 A N 0.551 123.216 122.820 -0.258 0.000 1.908 446 A HA -0.094 4.174 4.320 -0.087 0.000 0.218 446 A C 2.572 179.886 177.584 -0.450 0.000 1.181 446 A CA 2.345 54.194 52.037 -0.314 0.000 0.627 446 A CB -1.308 17.515 19.000 -0.294 0.000 0.818 446 A HN 0.670 nan 8.150 nan 0.000 0.445 447 A N -0.673 121.822 122.820 -0.540 0.000 1.940 447 A HA -0.021 4.247 4.320 -0.087 0.000 0.219 447 A C 2.229 179.628 177.584 -0.307 0.000 1.176 447 A CA 1.871 53.592 52.037 -0.528 0.000 0.631 447 A CB -0.894 17.666 19.000 -0.732 0.000 0.814 447 A HN 0.426 nan 8.150 nan 0.000 0.446 448 V N 0.280 120.044 119.914 -0.249 0.000 2.358 448 V HA -0.194 3.874 4.120 -0.087 0.000 0.246 448 V C 2.487 178.491 176.094 -0.150 0.000 1.047 448 V CA 2.028 64.245 62.300 -0.139 0.000 1.035 448 V CB -0.695 31.072 31.823 -0.093 0.000 0.658 448 V HN 0.524 nan 8.190 nan 0.000 0.452 449 E N 0.179 120.263 120.200 -0.192 0.000 2.150 449 E HA -0.102 4.196 4.350 -0.087 0.000 0.193 449 E C 2.026 178.505 176.600 -0.201 0.000 0.985 449 E CA 0.966 57.263 56.400 -0.172 0.000 0.814 449 E CB -0.194 29.403 29.700 -0.170 0.000 0.752 449 E HN 0.513 nan 8.360 nan 0.000 0.466 450 L N 0.215 121.240 121.223 -0.329 0.000 2.599 450 L HA 0.041 4.329 4.340 -0.087 0.000 0.230 450 L C 0.199 176.965 176.870 -0.172 0.000 1.141 450 L CA 0.206 54.815 54.840 -0.386 0.000 0.877 450 L CB -0.237 41.266 42.059 -0.928 0.000 1.009 450 L HN 0.051 nan 8.230 nan 0.000 0.447 451 E N -2.166 117.969 120.200 -0.108 0.000 2.868 451 E HA -0.260 4.038 4.350 -0.087 0.000 0.278 451 E C 0.370 177.051 176.600 0.134 0.000 1.009 451 E CA 0.248 56.637 56.400 -0.017 0.000 0.856 451 E CB -1.086 28.608 29.700 -0.011 0.000 1.428 451 E HN 0.505 nan 8.360 nan 0.000 0.423 452 W N 0.291 121.523 121.300 -0.113 0.000 2.658 452 W HA 0.194 4.802 4.660 -0.087 0.000 0.263 452 W C 0.717 177.213 176.519 -0.038 0.000 1.274 452 W CA 0.603 57.910 57.345 -0.063 0.000 1.343 452 W CB 0.354 29.803 29.460 -0.018 0.000 1.106 452 W HN -0.111 nan 8.180 nan 0.000 0.615 453 S N -2.037 113.744 115.700 0.136 0.000 2.537 453 S HA 0.178 4.596 4.470 -0.087 0.000 0.270 453 S C -0.253 174.323 174.600 -0.039 0.000 1.142 453 S CA -0.650 57.606 58.200 0.093 0.000 0.870 453 S CB 1.606 64.990 63.200 0.307 0.000 1.112 453 S HN 0.010 nan 8.310 nan 0.000 0.466 454 H N 1.156 120.287 119.070 0.102 0.000 2.462 454 H HA 0.158 4.662 4.556 -0.087 0.000 0.292 454 H C 1.074 176.432 175.328 0.049 0.000 1.049 454 H CA 1.271 57.356 56.048 0.061 0.000 1.334 454 H CB 0.361 30.153 29.762 0.049 0.000 1.404 454 H HN 0.575 nan 8.280 nan 0.000 0.544 455 S N -1.572 114.228 115.700 0.168 0.000 2.596 455 S HA 0.238 4.656 4.470 -0.087 0.000 0.270 455 S C 0.629 175.301 174.600 0.120 0.000 1.155 455 S CA -0.851 57.416 58.200 0.113 0.000 0.827 455 S CB 0.883 64.145 63.200 0.103 0.000 1.130 455 S HN 0.066 nan 8.310 nan 0.000 0.467 456 I N 1.268 121.886 120.570 0.079 0.000 2.179 456 I HA -0.206 3.912 4.170 -0.087 0.000 0.242 456 I C 2.982 179.185 176.117 0.142 0.000 1.088 456 I CA 1.663 63.021 61.300 0.096 0.000 1.357 456 I CB -0.349 37.676 38.000 0.040 0.000 1.051 456 I HN 0.845 nan 8.210 nan 0.000 0.409 457 Q N 0.815 120.673 119.800 0.095 0.000 2.045 457 Q HA -0.294 3.994 4.340 -0.087 0.000 0.206 457 Q C 1.778 177.836 176.000 0.097 0.000 0.991 457 Q CA 2.276 58.127 55.803 0.080 0.000 0.851 457 Q CB -0.019 28.751 28.738 0.054 0.000 0.911 457 Q HN 0.433 nan 8.270 nan 0.000 0.418 458 D N -0.504 119.966 120.400 0.118 0.000 2.149 458 D HA -0.158 4.430 4.640 -0.087 0.000 0.198 458 D C 1.462 177.842 176.300 0.132 0.000 0.990 458 D CA 0.846 54.916 54.000 0.116 0.000 0.839 458 D CB -0.297 40.592 40.800 0.148 0.000 0.948 458 D HN 0.257 nan 8.370 nan 0.000 0.460 459 F N 0.760 120.736 119.950 0.045 0.000 2.113 459 F HA -0.057 4.418 4.527 -0.087 0.000 0.297 459 F C 2.083 177.904 175.800 0.035 0.000 1.103 459 F CA 0.986 59.016 58.000 0.049 0.000 1.248 459 F CB -0.155 38.879 39.000 0.057 0.000 0.999 459 F HN -0.114 nan 8.300 nan 0.000 0.475 460 L N -0.078 121.232 121.223 0.146 0.000 2.056 460 L HA -0.170 4.118 4.340 -0.087 0.000 0.207 460 L C 2.550 179.389 176.870 -0.052 0.000 1.078 460 L CA 1.258 56.122 54.840 0.039 0.000 0.749 460 L CB -0.688 41.417 42.059 0.076 0.000 0.901 460 L HN -0.011 nan 8.230 nan 0.000 0.433 461 R N -0.286 120.198 120.500 -0.027 0.000 2.120 461 R HA -0.194 4.094 4.340 -0.087 0.000 0.234 461 R C 2.182 178.437 176.300 -0.074 0.000 1.123 461 R CA 1.225 57.302 56.100 -0.038 0.000 0.975 461 R CB -0.222 30.072 30.300 -0.011 0.000 0.866 461 R HN 0.266 nan 8.270 nan 0.000 0.446 462 E N 1.168 121.295 120.200 -0.122 0.000 2.028 462 E HA -0.099 4.199 4.350 -0.087 0.000 0.191 462 E C 1.874 178.374 176.600 -0.168 0.000 0.988 462 E CA 1.637 57.947 56.400 -0.149 0.000 0.799 462 E CB -0.297 29.295 29.700 -0.180 0.000 0.755 462 E HN 0.248 nan 8.360 nan 0.000 0.447 463 A N 0.812 123.484 122.820 -0.247 0.000 1.997 463 A HA -0.253 4.015 4.320 -0.087 0.000 0.221 463 A C 1.940 179.460 177.584 -0.107 0.000 1.172 463 A CA 2.140 54.064 52.037 -0.188 0.000 0.645 463 A CB -0.824 18.044 19.000 -0.221 0.000 0.813 463 A HN 0.288 nan 8.150 nan 0.000 0.454 464 D N -0.380 119.963 120.400 -0.095 0.000 2.144 464 D HA -0.059 4.529 4.640 -0.087 0.000 0.200 464 D C 1.894 178.162 176.300 -0.054 0.000 0.978 464 D CA 0.747 54.709 54.000 -0.064 0.000 0.833 464 D CB -0.216 40.551 40.800 -0.055 0.000 0.961 464 D HN 0.471 nan 8.370 nan 0.000 0.470 465 L N 0.226 121.415 121.223 -0.058 0.000 2.083 465 L HA -0.151 4.137 4.340 -0.087 0.000 0.209 465 L C 2.507 179.351 176.870 -0.044 0.000 1.083 465 L CA 0.751 55.564 54.840 -0.045 0.000 0.752 465 L CB -0.230 41.802 42.059 -0.045 0.000 0.899 465 L HN -0.010 nan 8.230 nan 0.000 0.433 466 R N 0.485 120.952 120.500 -0.054 0.000 2.154 466 R HA -0.209 4.079 4.340 -0.087 0.000 0.236 466 R C 1.443 177.721 176.300 -0.036 0.000 1.121 466 R CA 1.708 57.781 56.100 -0.046 0.000 0.915 466 R CB -0.236 30.032 30.300 -0.054 0.000 0.856 466 R HN 0.245 nan 8.270 nan 0.000 0.431 471 N N 3.326 122.010 118.700 -0.027 0.000 2.458 471 N HA 0.389 5.077 4.740 -0.087 0.000 0.270 471 N C -0.125 175.351 175.510 -0.056 0.000 1.102 471 N CA -0.283 52.753 53.050 -0.024 0.000 0.967 471 N CB 0.579 39.061 38.487 -0.008 0.000 1.078 471 N HN 0.513 nan 8.380 nan 0.000 0.471 472 I N 2.393 122.917 120.570 -0.076 0.000 2.648 472 I HA -0.052 4.066 4.170 -0.087 0.000 0.284 472 I C 0.056 176.035 176.117 -0.228 0.000 1.153 472 I CA -0.175 61.013 61.300 -0.188 0.000 1.426 472 I CB 0.401 38.234 38.000 -0.279 0.000 1.381 472 I HN 0.332 nan 8.210 nan 0.000 0.571 473 L N 7.760 128.833 121.223 -0.250 0.000 2.264 473 L HA 0.346 4.634 4.340 -0.087 0.000 0.289 473 L C -0.332 176.370 176.870 -0.280 0.000 1.044 473 L CA 0.146 54.874 54.840 -0.187 0.000 0.807 473 L CB 0.243 42.232 42.059 -0.117 0.000 1.192 473 L HN 0.432 nan 8.230 nan 0.000 0.425 474 H N 4.542 123.591 119.070 -0.036 0.000 2.533 474 H HA 0.458 4.962 4.556 -0.087 0.000 0.343 474 H C -2.255 173.054 175.328 -0.032 0.000 1.160 474 H CA -1.887 54.141 56.048 -0.034 0.000 1.218 474 H CB 1.317 31.062 29.762 -0.027 0.000 1.566 474 H HN 0.481 nan 8.280 nan 0.000 0.522 475 P HA -0.011 nan 4.420 nan 0.000 0.268 475 P C 0.043 177.365 177.300 0.036 0.000 1.204 475 P CA -0.286 62.836 63.100 0.037 0.000 0.768 475 P CB 0.700 32.411 31.700 0.018 0.000 0.842 476 Q N 3.488 123.300 119.800 0.020 0.000 2.474 476 Q HA 0.146 4.434 4.340 -0.087 0.000 0.256 476 Q C -1.843 174.161 176.000 0.007 0.000 1.048 476 Q CA -1.127 54.684 55.803 0.013 0.000 0.922 476 Q CB -0.692 28.052 28.738 0.010 0.000 1.288 476 Q HN 0.427 nan 8.270 nan 0.000 0.484 477 P HA 0.195 nan 4.420 nan 0.000 0.275 477 P C -0.685 176.616 177.300 0.002 0.000 1.227 477 P CA -0.138 62.962 63.100 -0.000 0.000 0.781 477 P CB 0.749 32.447 31.700 -0.003 0.000 0.906 478 C N 0.997 120.298 119.300 0.001 0.000 3.090 478 C HA 0.255 4.663 4.460 -0.087 0.000 0.305 478 C C 0.075 175.068 174.990 0.004 0.000 1.292 478 C CA -0.324 58.696 59.018 0.003 0.000 1.482 478 C CB 2.030 29.770 27.740 -0.000 0.000 1.897 478 C HN 0.560 nan 8.230 nan 0.000 0.469 479 D N 1.545 121.949 120.400 0.008 0.000 2.441 479 D HA 0.012 4.600 4.640 -0.087 0.000 0.243 479 D C 1.312 177.619 176.300 0.011 0.000 1.257 479 D CA 0.575 54.581 54.000 0.010 0.000 1.027 479 D CB 0.237 41.045 40.800 0.013 0.000 1.084 479 D HN 0.570 nan 8.370 nan 0.000 0.514 480 E N 2.872 123.076 120.200 0.007 0.000 2.119 480 E HA -0.256 4.042 4.350 -0.087 0.000 0.221 480 E C 1.650 178.259 176.600 0.016 0.000 1.062 480 E CA 1.859 58.263 56.400 0.006 0.000 0.894 480 E CB -0.442 29.261 29.700 0.006 0.000 0.785 480 E HN 0.635 nan 8.360 nan 0.000 0.472 481 G N 0.383 109.195 108.800 0.019 0.000 2.498 481 G HA2 -0.272 3.636 3.960 -0.087 0.000 0.219 481 G HA3 -0.272 3.636 3.960 -0.087 0.000 0.219 481 G C 1.762 176.681 174.900 0.033 0.000 1.119 481 G CA 0.886 46.002 45.100 0.027 0.000 0.766 481 G HN 0.279 nan 8.290 nan 0.000 0.552 482 R N -0.590 119.928 120.500 0.030 0.000 2.128 482 R HA 0.117 4.405 4.340 -0.087 0.000 0.211 482 R C 2.494 178.820 176.300 0.045 0.000 1.067 482 R CA -0.079 56.041 56.100 0.034 0.000 1.010 482 R CB -0.031 30.285 30.300 0.027 0.000 0.922 482 R HN 0.009 nan 8.270 nan 0.000 0.457 483 R N 0.683 121.206 120.500 0.038 0.000 2.115 483 R HA -0.082 4.206 4.340 -0.087 0.000 0.230 483 R C 2.062 178.410 176.300 0.080 0.000 1.111 483 R CA 1.164 57.290 56.100 0.042 0.000 0.976 483 R CB -0.599 29.706 30.300 0.009 0.000 0.870 483 R HN 0.279 nan 8.270 nan 0.000 0.445 484 R N 0.574 121.122 120.500 0.080 0.000 2.119 484 R HA 0.043 4.331 4.340 -0.087 0.000 0.222 484 R C 2.061 178.449 176.300 0.147 0.000 1.088 484 R CA 0.889 57.070 56.100 0.136 0.000 0.984 484 R CB 0.092 30.449 30.300 0.094 0.000 0.884 484 R HN 0.064 nan 8.270 nan 0.000 0.447 485 R N 0.176 120.729 120.500 0.089 0.000 2.073 485 R HA -0.085 4.203 4.340 -0.087 0.000 0.229 485 R C 2.237 178.578 176.300 0.070 0.000 1.120 485 R CA 1.440 57.577 56.100 0.061 0.000 0.967 485 R CB -0.108 30.217 30.300 0.041 0.000 0.862 485 R HN 0.094 nan 8.270 nan 0.000 0.436 486 K N 0.178 120.635 120.400 0.095 0.000 2.147 486 K HA -0.170 4.098 4.320 -0.087 0.000 0.205 486 K C 1.802 178.504 176.600 0.170 0.000 1.049 486 K CA 1.174 57.530 56.287 0.115 0.000 0.936 486 K CB -0.144 32.421 32.500 0.109 0.000 0.722 486 K HN 0.026 nan 8.250 nan 0.000 0.446 487 F N 2.033 121.988 119.950 0.009 0.000 2.146 487 F HA -0.098 4.375 4.527 -0.089 0.000 0.298 487 F C 1.930 177.727 175.800 -0.005 0.000 1.096 487 F CA 1.392 59.382 58.000 -0.016 0.000 1.275 487 F CB -0.117 38.845 39.000 -0.063 0.000 1.008 487 F HN 0.043 nan 8.300 nan 0.000 0.480 488 E N 0.556 120.631 120.200 -0.207 0.000 2.072 488 E HA -0.162 4.136 4.350 -0.087 0.000 0.191 488 E C 2.430 178.895 176.600 -0.224 0.000 0.985 488 E CA 0.985 57.185 56.400 -0.335 0.000 0.801 488 E CB -0.400 29.202 29.700 -0.164 0.000 0.750 488 E HN 0.472 nan 8.360 nan 0.000 0.452 489 R N -0.205 120.247 120.500 -0.081 0.000 2.081 489 R HA -0.125 4.163 4.340 -0.087 0.000 0.235 489 R C 2.360 178.635 176.300 -0.042 0.000 1.131 489 R CA 1.232 57.305 56.100 -0.044 0.000 0.960 489 R CB -0.559 29.750 30.300 0.015 0.000 0.856 489 R HN 0.166 nan 8.270 nan 0.000 0.436 490 F N 2.261 122.129 119.950 -0.137 0.000 2.120 490 F HA -0.243 4.229 4.527 -0.091 0.000 0.300 490 F C 2.004 177.679 175.800 -0.208 0.000 1.095 490 F CA 1.619 59.554 58.000 -0.108 0.000 1.249 490 F CB 0.034 39.017 39.000 -0.028 0.000 0.995 490 F HN -0.156 nan 8.300 nan 0.000 0.480 491 K N -0.073 120.114 120.400 -0.354 0.000 2.026 491 K HA -0.205 4.063 4.320 -0.087 0.000 0.208 491 K C 2.065 178.472 176.600 -0.321 0.000 1.048 491 K CA 1.890 57.821 56.287 -0.594 0.000 0.929 491 K CB -0.382 31.572 32.500 -0.910 0.000 0.713 491 K HN 0.445 nan 8.250 nan 0.000 0.439 492 Q N 0.066 119.723 119.800 -0.238 0.000 2.181 492 Q HA -0.187 4.101 4.340 -0.087 0.000 0.205 492 Q C 2.283 178.207 176.000 -0.128 0.000 0.980 492 Q CA 1.294 57.010 55.803 -0.144 0.000 0.862 492 Q CB -0.255 28.418 28.738 -0.109 0.000 0.905 492 Q HN 0.370 nan 8.270 nan 0.000 0.429 493 C N -0.425 118.774 119.300 -0.169 0.000 2.457 493 C HA -0.045 4.363 4.460 -0.087 0.000 0.278 493 C C 2.677 177.572 174.990 -0.158 0.000 1.309 493 C CA 0.190 59.114 59.018 -0.155 0.000 1.735 493 C CB -0.603 27.030 27.740 -0.179 0.000 1.992 493 C HN 0.345 nan 8.230 nan 0.000 0.493 494 V N 0.775 120.569 119.914 -0.199 0.000 2.295 494 V HA -0.241 3.827 4.120 -0.087 0.000 0.246 494 V C 2.444 178.509 176.094 -0.048 0.000 1.049 494 V CA 2.294 64.535 62.300 -0.098 0.000 1.024 494 V CB -0.727 31.107 31.823 0.019 0.000 0.648 494 V HN 0.608 nan 8.190 nan 0.000 0.447 495 E N 0.081 120.261 120.200 -0.034 0.000 2.031 495 E HA -0.225 4.073 4.350 -0.087 0.000 0.193 495 E C 2.235 178.812 176.600 -0.038 0.000 0.994 495 E CA 1.977 58.363 56.400 -0.024 0.000 0.800 495 E CB -0.172 29.517 29.700 -0.017 0.000 0.752 495 E HN 0.636 nan 8.360 nan 0.000 0.447 496 T N 1.621 116.146 114.554 -0.049 0.000 2.759 496 T HA -0.140 4.158 4.350 -0.087 0.000 0.269 496 T C 1.785 176.459 174.700 -0.043 0.000 1.042 496 T CA 0.971 63.045 62.100 -0.044 0.000 1.140 496 T CB -0.157 68.683 68.868 -0.046 0.000 0.864 496 T HN 0.187 nan 8.240 nan 0.000 0.455 497 L N 0.798 121.990 121.223 -0.052 0.000 2.456 497 L HA 0.076 4.364 4.340 -0.087 0.000 0.224 497 L C 2.621 179.466 176.870 -0.042 0.000 1.148 497 L CA 0.578 55.389 54.840 -0.049 0.000 0.825 497 L CB -0.588 41.435 42.059 -0.059 0.000 0.937 497 L HN 0.340 nan 8.230 nan 0.000 0.450 498 G N -0.801 107.975 108.800 -0.041 0.000 2.848 498 G HA2 0.002 3.910 3.960 -0.087 0.000 0.208 498 G HA3 0.002 3.910 3.960 -0.087 0.000 0.208 498 G C 0.442 175.324 174.900 -0.031 0.000 1.152 498 G CA -0.332 44.745 45.100 -0.038 0.000 0.789 498 G HN 0.196 nan 8.290 nan 0.000 0.531 499 R N 0.000 120.483 120.500 -0.029 0.000 2.786 499 R HA 0.000 4.288 4.340 -0.087 0.000 0.208 499 R CA 0.000 56.086 56.100 -0.024 0.000 0.921 499 R CB 0.000 30.287 30.300 -0.021 0.000 0.687 499 R HN 0.000 nan 8.270 nan 0.000 0.535