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 1b5h_1_A DATA FIRST_RESID 1 DATA SEQUENCE ADVPAGVQLA DKQTLVRNNG SEVQSLDPHK IEGVPESNVS RDLFEGLLIS DATA SEQUENCE DVEGHPSPGV AEKWENKDFK VWTFHLRENA KWSDGTPVTA HDFVYSWQRL DATA SEQUENCE ADPNTASPYA SYLQYGHIAN IDDIIAGKKP ATDLGVKALD DHTFEVTLSE DATA SEQUENCE PVPYFYKLLV HPSVSPVPKS AVEKFGDKWT QPANIVTNGA YKLKNWVVNE DATA SEQUENCE RIVLERNPQY WDNAKTVINQ VTYLPISSEV TDVNRYRSGE IDMTYNNMPI DATA SEQUENCE ELFQKLKKEI PNEVRVDPYL cTYYYEINNQ KAPFNDVRVR TALKLALDRD DATA SEQUENCE IIVNKVKNQG DLPAYSYTPP YTDGAKLVEP EWFKWSQQKR NEEAKKLLAE DATA SEQUENCE AGFTADKPLT FDLLYNTSDL HKKLAIAVAS IWKKNLGVNV NLENQEWKTF DATA SEQUENCE LDTRHQGTFD VARAGWcADY NEPTSFLNTM LSDSSNNTAH YKSPAFDKLI DATA SEQUENCE ADTLKVADDT QRSELYAKAE QQLDKDSAIV PVYYYVNARL VKPWVGGYTG DATA SEQUENCE KDPLDNIYVK NLYIIKH VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.634 177.584 0.083 0.000 1.274 1 A CA 0.000 52.122 52.037 0.141 0.000 0.836 1 A CB 0.000 19.137 19.000 0.228 0.000 0.831 2 D N 1.908 122.365 120.400 0.096 0.000 2.477 2 D HA 0.410 5.090 4.640 0.066 0.000 0.239 2 D C -0.319 175.950 176.300 -0.051 0.000 1.102 2 D CA 0.038 54.054 54.000 0.028 0.000 0.901 2 D CB 1.537 42.369 40.800 0.053 0.000 1.026 2 D HN 0.279 nan 8.370 nan 0.000 0.515 3 V N 3.920 123.712 119.914 -0.202 0.000 2.470 3 V HA 0.150 4.310 4.120 0.066 0.000 0.276 3 V C -1.681 174.270 176.094 -0.238 0.000 1.040 3 V CA -1.205 60.810 62.300 -0.476 0.000 1.008 3 V CB 0.320 31.825 31.823 -0.530 0.000 0.990 3 V HN 0.302 nan 8.190 nan 0.000 0.477 4 P HA 0.179 nan 4.420 nan 0.000 0.267 4 P C -0.064 177.203 177.300 -0.055 0.000 1.200 4 P CA -0.059 63.009 63.100 -0.054 0.000 0.772 4 P CB 0.402 32.111 31.700 0.015 0.000 0.855 5 A N 2.551 125.355 122.820 -0.026 0.000 2.567 5 A HA 0.382 4.741 4.320 0.066 0.000 0.240 5 A C 1.599 179.176 177.584 -0.011 0.000 1.053 5 A CA 0.748 52.774 52.037 -0.019 0.000 0.755 5 A CB -1.277 17.719 19.000 -0.007 0.000 0.978 5 A HN 0.951 nan 8.150 nan 0.000 0.507 6 G N 0.524 109.317 108.800 -0.012 0.000 2.205 6 G HA2 -0.099 3.901 3.960 0.066 0.000 0.261 6 G HA3 -0.099 3.901 3.960 0.066 0.000 0.261 6 G C 0.649 175.553 174.900 0.007 0.000 0.980 6 G CA 0.705 45.805 45.100 0.000 0.000 0.632 6 G HN 2.398 nan 8.290 nan 0.000 0.533 7 V N -0.532 119.378 119.914 -0.005 0.000 2.649 7 V HA 0.668 4.827 4.120 0.066 0.000 0.292 7 V C 0.298 176.400 176.094 0.013 0.000 1.055 7 V CA -0.404 61.909 62.300 0.021 0.000 1.023 7 V CB 1.573 33.422 31.823 0.044 0.000 0.992 7 V HN 0.357 nan 8.190 nan 0.000 0.480 8 Q N 4.375 124.201 119.800 0.043 0.000 2.296 8 Q HA 0.495 4.875 4.340 0.066 0.000 0.257 8 Q C -0.765 175.271 176.000 0.060 0.000 0.942 8 Q CA -0.416 55.409 55.803 0.036 0.000 0.939 8 Q CB 1.655 30.414 28.738 0.035 0.000 1.198 8 Q HN 0.802 nan 8.270 nan 0.000 0.429 9 L N 1.838 123.086 121.223 0.041 0.000 2.395 9 L HA 0.415 4.795 4.340 0.066 0.000 0.269 9 L C 0.394 177.297 176.870 0.056 0.000 1.133 9 L CA -0.585 54.298 54.840 0.072 0.000 0.812 9 L CB 0.977 43.064 42.059 0.047 0.000 1.125 9 L HN 0.634 nan 8.230 nan 0.000 0.452 10 A N 1.421 124.287 122.820 0.077 0.000 2.425 10 A HA 0.051 4.411 4.320 0.066 0.000 0.242 10 A C 0.651 178.236 177.584 0.002 0.000 1.077 10 A CA -0.333 51.713 52.037 0.015 0.000 0.781 10 A CB 0.176 19.182 19.000 0.011 0.000 1.020 10 A HN 0.844 nan 8.150 nan 0.000 0.494 11 D N 0.134 120.514 120.400 -0.034 0.000 2.117 11 D HA -0.055 4.624 4.640 0.066 0.000 0.197 11 D C 0.696 176.987 176.300 -0.015 0.000 0.987 11 D CA 1.503 55.487 54.000 -0.026 0.000 0.829 11 D CB 0.066 40.841 40.800 -0.042 0.000 0.961 11 D HN 0.585 nan 8.370 nan 0.000 0.460 12 K N 1.379 121.762 120.400 -0.029 0.000 2.267 12 K HA 0.091 4.450 4.320 0.066 0.000 0.282 12 K C -0.447 176.163 176.600 0.015 0.000 1.078 12 K CA -0.246 56.031 56.287 -0.016 0.000 0.903 12 K CB 0.543 33.018 32.500 -0.041 0.000 1.111 12 K HN -0.204 nan 8.250 nan 0.000 0.475 13 Q N 3.439 123.260 119.800 0.036 0.000 2.901 13 Q HA 0.106 4.486 4.340 0.066 0.000 0.265 13 Q C -0.621 175.416 176.000 0.061 0.000 1.263 13 Q CA -0.150 55.693 55.803 0.066 0.000 1.088 13 Q CB 1.028 29.816 28.738 0.082 0.000 1.339 13 Q HN 0.748 nan 8.270 nan 0.000 0.546 14 T N -1.697 112.884 114.554 0.045 0.000 2.907 14 T HA 0.776 5.166 4.350 0.066 0.000 0.292 14 T C -0.697 174.011 174.700 0.014 0.000 1.043 14 T CA -0.881 61.231 62.100 0.020 0.000 1.003 14 T CB 1.894 70.765 68.868 0.005 0.000 1.084 14 T HN 0.220 nan 8.240 nan 0.000 0.483 15 L N 1.680 122.879 121.223 -0.040 0.000 2.422 15 L HA 0.814 5.194 4.340 0.066 0.000 0.264 15 L C -1.593 175.193 176.870 -0.140 0.000 0.984 15 L CA -0.697 54.098 54.840 -0.075 0.000 0.819 15 L CB 2.384 44.367 42.059 -0.127 0.000 1.330 15 L HN 0.722 nan 8.230 nan 0.000 0.410 16 V N 4.908 124.748 119.914 -0.124 0.000 2.483 16 V HA 0.625 4.785 4.120 0.066 0.000 0.297 16 V C -0.385 175.599 176.094 -0.185 0.000 1.027 16 V CA -0.564 61.644 62.300 -0.153 0.000 0.855 16 V CB 1.716 33.495 31.823 -0.074 0.000 0.995 16 V HN 0.714 nan 8.190 nan 0.000 0.424 17 R N 2.841 123.159 120.500 -0.304 0.000 2.637 17 R HA 0.473 4.853 4.340 0.066 0.000 0.291 17 R C -0.616 175.603 176.300 -0.135 0.000 0.963 17 R CA -0.886 55.059 56.100 -0.258 0.000 0.901 17 R CB 1.959 31.981 30.300 -0.464 0.000 1.160 17 R HN 0.677 nan 8.270 nan 0.000 0.457 18 N N 0.647 119.327 118.700 -0.033 0.000 2.530 18 N HA 0.030 4.810 4.740 0.066 0.000 0.277 18 N C -0.116 175.438 175.510 0.073 0.000 1.168 18 N CA -0.008 53.049 53.050 0.011 0.000 0.979 18 N CB 0.828 39.332 38.487 0.028 0.000 1.141 18 N HN 0.495 nan 8.380 nan 0.000 0.459 19 N N 0.935 119.619 118.700 -0.028 0.000 2.241 19 N HA 0.237 5.016 4.740 0.066 0.000 0.238 19 N C 0.656 175.753 175.510 -0.689 0.000 1.244 19 N CA 0.548 53.532 53.050 -0.110 0.000 0.880 19 N CB 0.194 38.689 38.487 0.014 0.000 1.179 19 N HN 0.754 nan 8.380 nan 0.000 0.513 20 G N -0.120 108.171 108.800 -0.847 0.000 2.708 20 G HA2 -0.315 3.685 3.960 0.066 0.000 0.229 20 G HA3 -0.315 3.685 3.960 0.066 0.000 0.229 20 G C 0.126 174.663 174.900 -0.606 0.000 1.236 20 G CA 0.766 45.191 45.100 -1.125 0.000 0.749 20 G HN 1.025 nan 8.290 nan 0.000 0.515 21 S N -0.949 114.453 115.700 -0.495 0.000 2.661 21 S HA 0.584 5.094 4.470 0.066 0.000 0.268 21 S C -0.987 173.538 174.600 -0.125 0.000 1.162 21 S CA 0.135 58.177 58.200 -0.263 0.000 0.817 21 S CB 2.178 65.212 63.200 -0.277 0.000 1.141 21 S HN 0.983 nan 8.310 nan 0.000 0.477 22 E N 1.442 121.651 120.200 0.015 0.000 2.376 22 E HA 0.384 4.773 4.350 0.066 0.000 0.266 22 E C 0.227 176.923 176.600 0.160 0.000 1.009 22 E CA -0.434 56.025 56.400 0.099 0.000 0.902 22 E CB 0.648 30.433 29.700 0.142 0.000 0.972 22 E HN 0.837 nan 8.360 nan 0.000 0.439 23 V N 2.597 122.585 119.914 0.124 0.000 2.924 23 V HA 0.023 4.183 4.120 0.066 0.000 0.305 23 V C 1.123 177.344 176.094 0.212 0.000 1.073 23 V CA -0.080 62.299 62.300 0.132 0.000 1.098 23 V CB 1.046 32.837 31.823 -0.054 0.000 1.000 23 V HN 0.849 nan 8.190 nan 0.000 0.484 24 Q N 1.693 121.615 119.800 0.203 0.000 2.084 24 Q HA 0.029 4.408 4.340 0.066 0.000 0.202 24 Q C 1.087 177.173 176.000 0.143 0.000 0.978 24 Q CA 1.848 57.734 55.803 0.138 0.000 0.844 24 Q CB 0.110 28.892 28.738 0.073 0.000 0.898 24 Q HN 0.989 nan 8.270 nan 0.000 0.426 25 S N -2.533 113.232 115.700 0.108 0.000 2.643 25 S HA 0.297 4.807 4.470 0.066 0.000 0.266 25 S C -0.939 173.624 174.600 -0.062 0.000 1.130 25 S CA -0.787 57.479 58.200 0.111 0.000 0.817 25 S CB 0.252 63.492 63.200 0.067 0.000 1.107 25 S HN 0.170 nan 8.310 nan 0.000 0.471 26 L N 1.315 122.450 121.223 -0.147 0.000 2.693 26 L HA 0.387 4.766 4.340 0.066 0.000 0.235 26 L C 0.133 176.901 176.870 -0.169 0.000 1.127 26 L CA -0.053 54.642 54.840 -0.242 0.000 0.914 26 L CB 0.201 42.020 42.059 -0.399 0.000 1.193 26 L HN 0.562 nan 8.230 nan 0.000 0.502 27 D N 1.480 121.780 120.400 -0.166 0.000 2.316 27 D HA 0.125 4.805 4.640 0.066 0.000 0.245 27 D C -1.687 174.563 176.300 -0.084 0.000 1.171 27 D CA -1.987 51.964 54.000 -0.081 0.000 0.856 27 D CB 1.949 42.804 40.800 0.093 0.000 1.090 27 D HN -0.126 nan 8.370 nan 0.000 0.476 28 P HA -0.118 nan 4.420 nan 0.000 0.220 28 P C 0.348 177.595 177.300 -0.088 0.000 1.144 28 P CA 1.309 64.258 63.100 -0.251 0.000 0.800 28 P CB 0.052 31.487 31.700 -0.443 0.000 0.772 29 H N -1.674 117.392 119.070 -0.008 0.000 2.539 29 H HA 0.181 4.777 4.556 0.066 0.000 0.269 29 H C 0.999 176.348 175.328 0.035 0.000 0.980 29 H CA 0.028 56.082 56.048 0.010 0.000 1.152 29 H CB 0.323 30.093 29.762 0.013 0.000 1.407 29 H HN -0.023 nan 8.280 nan 0.000 0.564 30 K N 1.145 121.628 120.400 0.138 0.000 2.438 30 K HA 0.211 4.570 4.320 0.066 0.000 0.205 30 K C 0.088 176.730 176.600 0.070 0.000 1.033 30 K CA 0.046 56.389 56.287 0.093 0.000 1.089 30 K CB 0.863 33.414 32.500 0.086 0.000 0.857 30 K HN 0.386 nan 8.250 nan 0.000 0.522 31 I N -1.745 118.877 120.570 0.087 0.000 2.797 31 I HA 0.347 4.557 4.170 0.066 0.000 0.307 31 I C 0.499 176.741 176.117 0.208 0.000 1.033 31 I CA -0.647 60.707 61.300 0.090 0.000 1.071 31 I CB 1.945 39.958 38.000 0.022 0.000 1.255 31 I HN -0.009 nan 8.210 nan 0.000 0.445 32 E N 2.502 122.832 120.200 0.217 0.000 2.712 32 E HA 0.308 4.698 4.350 0.066 0.000 0.221 32 E C 0.188 176.976 176.600 0.314 0.000 0.943 32 E CA -0.365 56.281 56.400 0.410 0.000 1.259 32 E CB 0.859 30.737 29.700 0.296 0.000 1.167 32 E HN 0.847 nan 8.360 nan 0.000 0.569 33 G N 0.554 109.511 108.800 0.262 0.000 2.597 33 G HA2 0.395 4.394 3.960 0.066 0.000 0.317 33 G HA3 0.395 4.394 3.960 0.066 0.000 0.317 33 G C 0.771 175.799 174.900 0.212 0.000 1.230 33 G CA -0.475 44.857 45.100 0.387 0.000 0.996 33 G HN -0.047 nan 8.290 nan 0.000 0.490 34 V N 1.101 121.129 119.914 0.189 0.000 2.295 34 V HA -0.077 4.083 4.120 0.066 0.000 0.246 34 V C -0.185 175.923 176.094 0.023 0.000 1.049 34 V CA 2.077 64.413 62.300 0.060 0.000 1.024 34 V CB -0.817 31.054 31.823 0.079 0.000 0.648 34 V HN 0.512 nan 8.190 nan 0.000 0.447 35 P HA -0.111 nan 4.420 nan 0.000 0.217 35 P C 1.422 178.645 177.300 -0.129 0.000 1.150 35 P CA 1.201 64.217 63.100 -0.140 0.000 0.832 35 P CB 0.049 31.554 31.700 -0.325 0.000 0.787 36 E N -0.892 119.298 120.200 -0.018 0.000 2.072 36 E HA -0.078 4.312 4.350 0.066 0.000 0.191 36 E C 2.100 178.607 176.600 -0.155 0.000 0.985 36 E CA 1.265 57.624 56.400 -0.068 0.000 0.801 36 E CB -0.993 28.724 29.700 0.028 0.000 0.750 36 E HN 0.126 nan 8.360 nan 0.000 0.452 37 S N 0.770 116.386 115.700 -0.141 0.000 2.428 37 S HA -0.056 4.454 4.470 0.066 0.000 0.230 37 S C 1.535 175.991 174.600 -0.239 0.000 1.014 37 S CA 0.552 58.625 58.200 -0.212 0.000 0.957 37 S CB -0.198 62.867 63.200 -0.224 0.000 0.784 37 S HN 0.236 nan 8.310 nan 0.000 0.499 38 N N 1.592 120.156 118.700 -0.228 0.000 2.084 38 N HA -0.065 4.714 4.740 0.066 0.000 0.190 38 N C 1.723 176.952 175.510 -0.467 0.000 1.030 38 N CA 1.094 53.983 53.050 -0.269 0.000 0.849 38 N CB -0.705 37.672 38.487 -0.184 0.000 1.012 38 N HN 0.216 nan 8.380 nan 0.000 0.423 39 V N 0.230 119.770 119.914 -0.623 0.000 2.379 39 V HA -0.125 4.035 4.120 0.066 0.000 0.245 39 V C 2.449 178.325 176.094 -0.365 0.000 1.044 39 V CA 1.518 63.394 62.300 -0.707 0.000 1.036 39 V CB -0.766 30.638 31.823 -0.698 0.000 0.664 39 V HN 0.298 nan 8.190 nan 0.000 0.453 40 S N -0.398 115.157 115.700 -0.242 0.000 2.387 40 S HA -0.241 4.268 4.470 0.066 0.000 0.230 40 S C 2.172 176.736 174.600 -0.060 0.000 1.035 40 S CA 1.676 59.836 58.200 -0.067 0.000 1.014 40 S CB -0.278 62.871 63.200 -0.084 0.000 0.836 40 S HN 0.542 nan 8.310 nan 0.000 0.466 41 R N 0.415 120.809 120.500 -0.177 0.000 2.120 41 R HA -0.041 4.338 4.340 0.066 0.000 0.234 41 R C 1.565 177.827 176.300 -0.062 0.000 1.123 41 R CA 1.467 57.453 56.100 -0.190 0.000 0.975 41 R CB -0.290 29.668 30.300 -0.570 0.000 0.866 41 R HN 0.422 nan 8.270 nan 0.000 0.446 42 D N 0.215 120.565 120.400 -0.085 0.000 2.234 42 D HA -0.041 4.639 4.640 0.066 0.000 0.205 42 D C 1.801 178.095 176.300 -0.011 0.000 0.962 42 D CA 0.890 54.911 54.000 0.035 0.000 0.855 42 D CB 0.232 41.014 40.800 -0.030 0.000 0.951 42 D HN 0.219 nan 8.370 nan 0.000 0.500 43 L N -1.356 119.779 121.223 -0.148 0.000 2.286 43 L HA 0.152 4.531 4.340 0.066 0.000 0.203 43 L C 0.158 176.703 176.870 -0.542 0.000 1.068 43 L CA 0.360 54.966 54.840 -0.391 0.000 0.811 43 L CB 0.181 41.855 42.059 -0.641 0.000 0.989 43 L HN -0.162 nan 8.230 nan 0.000 0.467 44 F N -0.030 119.937 119.950 0.029 0.000 2.482 44 F HA 0.394 4.960 4.527 0.065 0.000 0.331 44 F C 0.086 175.920 175.800 0.057 0.000 1.115 44 F CA -0.666 57.364 58.000 0.050 0.000 0.955 44 F CB 1.645 40.689 39.000 0.073 0.000 1.136 44 F HN -0.171 nan 8.300 nan 0.000 0.452 45 E N 2.019 122.357 120.200 0.229 0.000 2.176 45 E HA 0.579 4.968 4.350 0.066 0.000 0.267 45 E C -0.081 176.692 176.600 0.288 0.000 0.893 45 E CA -0.551 56.002 56.400 0.254 0.000 0.761 45 E CB 1.482 31.357 29.700 0.291 0.000 1.133 45 E HN 0.816 nan 8.360 nan 0.000 0.409 46 G N 2.965 111.946 108.800 0.303 0.000 2.509 46 G HA2 0.132 4.132 3.960 0.066 0.000 0.269 46 G HA3 0.132 4.132 3.960 0.066 0.000 0.269 46 G C 0.865 175.891 174.900 0.210 0.000 1.416 46 G CA -0.473 44.856 45.100 0.383 0.000 1.052 46 G HN 0.597 nan 8.290 nan 0.000 0.542 47 L N -1.317 119.871 121.223 -0.059 0.000 2.017 47 L HA 0.040 4.419 4.340 0.066 0.000 0.208 47 L C 0.603 177.386 176.870 -0.144 0.000 1.073 47 L CA 0.804 55.432 54.840 -0.352 0.000 0.745 47 L CB -0.454 41.158 42.059 -0.746 0.000 0.894 47 L HN 0.119 nan 8.230 nan 0.000 0.432 48 L N -1.391 119.767 121.223 -0.109 0.000 2.301 48 L HA 0.553 4.932 4.340 0.066 0.000 0.264 48 L C -0.293 176.641 176.870 0.106 0.000 1.016 48 L CA -0.488 54.344 54.840 -0.013 0.000 0.821 48 L CB 1.923 43.918 42.059 -0.108 0.000 1.346 48 L HN -0.030 nan 8.230 nan 0.000 0.429 49 I N -3.360 117.299 120.570 0.149 0.000 3.174 49 I HA 0.680 4.890 4.170 0.066 0.000 0.313 49 I C -0.539 175.669 176.117 0.152 0.000 1.155 49 I CA -0.728 60.663 61.300 0.151 0.000 0.977 49 I CB 2.244 40.214 38.000 -0.050 0.000 1.248 49 I HN 0.330 nan 8.210 nan 0.000 0.453 50 S N 1.845 117.678 115.700 0.221 0.000 2.584 50 S HA 0.236 4.745 4.470 0.066 0.000 0.273 50 S C -0.470 174.188 174.600 0.097 0.000 1.311 50 S CA -0.613 57.716 58.200 0.215 0.000 1.034 50 S CB 0.777 64.156 63.200 0.300 0.000 0.939 50 S HN 0.804 nan 8.310 nan 0.000 0.513 51 D N 0.686 121.164 120.400 0.131 0.000 2.398 51 D HA 0.036 4.715 4.640 0.066 0.000 0.264 51 D C 1.573 177.929 176.300 0.094 0.000 1.263 51 D CA -0.588 53.473 54.000 0.102 0.000 1.037 51 D CB -0.353 40.554 40.800 0.178 0.000 1.101 51 D HN 0.264 nan 8.370 nan 0.000 0.551 52 V N -3.056 116.912 119.914 0.090 0.000 3.078 52 V HA -0.051 4.108 4.120 0.066 0.000 0.265 52 V C 1.357 177.457 176.094 0.011 0.000 1.122 52 V CA 1.370 63.718 62.300 0.079 0.000 1.141 52 V CB -1.192 30.679 31.823 0.079 0.000 0.735 52 V HN 0.518 nan 8.190 nan 0.000 0.498 53 E N 0.420 120.595 120.200 -0.042 0.000 2.498 53 E HA 0.393 4.782 4.350 0.066 0.000 0.203 53 E C 1.622 178.053 176.600 -0.282 0.000 1.013 53 E CA 0.475 56.772 56.400 -0.171 0.000 0.927 53 E CB 0.780 30.367 29.700 -0.188 0.000 1.012 53 E HN 0.735 nan 8.360 nan 0.000 0.482 54 G N 1.782 110.491 108.800 -0.151 0.000 2.176 54 G HA2 -0.201 3.799 3.960 0.066 0.000 0.232 54 G HA3 -0.201 3.799 3.960 0.066 0.000 0.232 54 G C 0.063 174.944 174.900 -0.032 0.000 0.986 54 G CA -0.306 44.751 45.100 -0.071 0.000 0.643 54 G HN 0.332 nan 8.290 nan 0.000 0.522 55 H N 1.280 120.438 119.070 0.147 0.000 2.652 55 H HA 0.337 4.914 4.556 0.035 0.000 0.349 55 H C -2.372 173.085 175.328 0.215 0.000 1.099 55 H CA -1.455 54.700 56.048 0.179 0.000 1.417 55 H CB 0.523 30.391 29.762 0.176 0.000 1.457 55 H HN 0.114 nan 8.280 nan 0.000 0.568 56 P HA 0.042 nan 4.420 nan 0.000 0.264 56 P C -0.444 177.106 177.300 0.417 0.000 1.193 56 P CA 0.528 63.847 63.100 0.365 0.000 0.763 56 P CB 0.723 32.693 31.700 0.450 0.000 0.810 57 S N 3.680 119.598 115.700 0.363 0.000 2.638 57 S HA 0.556 5.066 4.470 0.066 0.000 0.274 57 S C -2.835 172.019 174.600 0.423 0.000 1.157 57 S CA -1.514 56.927 58.200 0.401 0.000 0.826 57 S CB 1.208 64.575 63.200 0.279 0.000 1.139 57 S HN 0.188 nan 8.310 nan 0.000 0.474 58 P HA 0.206 nan 4.420 nan 0.000 0.263 58 P C -0.003 177.487 177.300 0.318 0.000 1.195 58 P CA 0.397 63.763 63.100 0.443 0.000 0.762 58 P CB 0.309 32.193 31.700 0.307 0.000 0.799 59 G N 1.594 110.543 108.800 0.248 0.000 3.306 59 G HA2 0.111 4.110 3.960 0.066 0.000 0.202 59 G HA3 0.111 4.110 3.960 0.066 0.000 0.202 59 G C 1.034 176.036 174.900 0.170 0.000 1.673 59 G CA -0.255 45.008 45.100 0.272 0.000 0.776 59 G HN 0.260 nan 8.290 nan 0.000 0.740 60 V N 1.899 121.886 119.914 0.122 0.000 2.515 60 V HA 0.147 4.306 4.120 0.066 0.000 0.250 60 V C 1.880 177.921 176.094 -0.089 0.000 1.058 60 V CA 1.383 63.677 62.300 -0.011 0.000 1.064 60 V CB -0.804 31.082 31.823 0.106 0.000 0.675 60 V HN 0.608 nan 8.190 nan 0.000 0.461 61 A N 0.909 123.722 122.820 -0.011 0.000 2.404 61 A HA 0.255 4.615 4.320 0.066 0.000 0.273 61 A C 1.273 178.995 177.584 0.231 0.000 1.144 61 A CA -0.052 52.074 52.037 0.148 0.000 0.806 61 A CB 0.098 19.291 19.000 0.322 0.000 1.080 61 A HN 0.653 nan 8.150 nan 0.000 0.509 62 E N 2.772 123.050 120.200 0.130 0.000 2.318 62 E HA 0.031 4.420 4.350 0.066 0.000 0.193 62 E C 0.286 176.951 176.600 0.108 0.000 0.998 62 E CA 0.585 57.017 56.400 0.054 0.000 0.859 62 E CB 0.000 29.644 29.700 -0.094 0.000 0.812 62 E HN 0.632 nan 8.360 nan 0.000 0.492 63 K N -0.059 120.475 120.400 0.224 0.000 2.575 63 K HA 0.396 4.756 4.320 0.066 0.000 0.279 63 K C -1.866 174.954 176.600 0.366 0.000 0.969 63 K CA -0.859 55.435 56.287 0.013 0.000 0.868 63 K CB 1.153 33.579 32.500 -0.123 0.000 1.457 63 K HN 0.172 nan 8.250 nan 0.000 0.426 64 W N -0.059 121.327 121.300 0.143 0.000 3.146 64 W HA 0.686 5.381 4.660 0.058 0.000 0.319 64 W C -1.434 175.051 176.519 -0.057 0.000 1.258 64 W CA -0.605 56.731 57.345 -0.014 0.000 1.189 64 W CB 0.945 30.325 29.460 -0.133 0.000 1.412 64 W HN 0.613 nan 8.180 nan 0.000 0.567 65 E N 1.158 121.385 120.200 0.046 0.000 2.416 65 E HA 0.509 4.899 4.350 0.066 0.000 0.273 65 E C -1.289 175.150 176.600 -0.268 0.000 0.935 65 E CA -1.160 55.186 56.400 -0.091 0.000 0.784 65 E CB 2.081 31.722 29.700 -0.098 0.000 1.301 65 E HN 0.524 nan 8.360 nan 0.000 0.454 66 N N -0.501 117.913 118.700 -0.477 0.000 2.242 66 N HA 0.543 5.322 4.740 0.066 0.000 0.292 66 N C -1.512 173.625 175.510 -0.621 0.000 1.125 66 N CA -1.058 51.464 53.050 -0.879 0.000 0.783 66 N CB 1.580 38.997 38.487 -1.784 0.000 1.558 66 N HN 0.148 nan 8.380 nan 0.000 0.472 67 K N 1.178 121.245 120.400 -0.555 0.000 2.367 67 K HA 0.326 4.686 4.320 0.066 0.000 0.263 67 K C -0.917 175.439 176.600 -0.407 0.000 1.000 67 K CA -0.281 55.768 56.287 -0.397 0.000 0.891 67 K CB 0.036 32.380 32.500 -0.261 0.000 1.117 67 K HN 0.658 nan 8.250 nan 0.000 0.443 68 D N 4.527 124.643 120.400 -0.472 0.000 2.882 68 D HA -0.268 4.411 4.640 0.066 0.000 0.229 68 D C -0.419 175.694 176.300 -0.311 0.000 1.167 68 D CA 1.377 55.125 54.000 -0.420 0.000 0.759 68 D CB -1.600 39.087 40.800 -0.188 0.000 1.088 68 D HN 0.828 nan 8.370 nan 0.000 0.425 69 F N -2.457 117.371 119.950 -0.202 0.000 3.069 69 F HA -0.348 4.219 4.527 0.065 0.000 0.285 69 F C 1.633 177.505 175.800 0.121 0.000 0.827 69 F CA 1.479 59.457 58.000 -0.037 0.000 1.108 69 F CB -1.680 37.427 39.000 0.179 0.000 1.252 69 F HN 0.184 nan 8.300 nan 0.000 0.483 70 K N -0.796 119.618 120.400 0.024 0.000 2.424 70 K HA 0.350 4.710 4.320 0.066 0.000 0.198 70 K C 0.138 176.764 176.600 0.043 0.000 1.190 70 K CA 0.544 56.880 56.287 0.082 0.000 0.935 70 K CB 1.243 33.753 32.500 0.018 0.000 1.087 70 K HN 0.029 nan 8.250 nan 0.000 0.524 71 V N 1.899 121.726 119.914 -0.144 0.000 2.350 71 V HA 0.269 4.429 4.120 0.066 0.000 0.285 71 V C -1.487 174.453 176.094 -0.256 0.000 1.014 71 V CA -0.729 61.507 62.300 -0.108 0.000 0.831 71 V CB 0.623 32.377 31.823 -0.115 0.000 1.000 71 V HN 0.166 nan 8.190 nan 0.000 0.433 72 W N 2.538 123.781 121.300 -0.095 0.000 2.376 72 W HA 0.634 5.333 4.660 0.065 0.000 0.312 72 W C 0.281 176.608 176.519 -0.320 0.000 1.060 72 W CA -0.422 56.834 57.345 -0.148 0.000 1.221 72 W CB 1.807 31.335 29.460 0.113 0.000 1.281 72 W HN 0.374 nan 8.180 nan 0.000 0.456 73 T N 4.376 118.742 114.554 -0.314 0.000 2.770 73 T HA 0.489 4.879 4.350 0.066 0.000 0.283 73 T C -1.036 173.320 174.700 -0.574 0.000 0.988 73 T CA -0.497 61.393 62.100 -0.351 0.000 0.957 73 T CB 0.279 68.995 68.868 -0.255 0.000 0.930 73 T HN -0.012 nan 8.240 nan 0.000 0.443 74 F N 2.858 122.744 119.950 -0.108 0.000 2.426 74 F HA 0.318 4.883 4.527 0.064 0.000 0.348 74 F C 0.940 176.621 175.800 -0.199 0.000 1.124 74 F CA -1.035 56.949 58.000 -0.027 0.000 1.008 74 F CB 1.051 40.092 39.000 0.069 0.000 1.139 74 F HN 0.507 nan 8.300 nan 0.000 0.452 75 H N 5.550 124.786 119.070 0.277 0.000 2.761 75 H HA 0.291 4.886 4.556 0.065 0.000 0.284 75 H C -0.150 175.255 175.328 0.128 0.000 1.105 75 H CA -0.327 55.816 56.048 0.158 0.000 1.352 75 H CB 0.663 30.473 29.762 0.080 0.000 1.423 75 H HN 0.458 nan 8.280 nan 0.000 0.464 76 L N 4.116 125.446 121.223 0.178 0.000 2.367 76 L HA 0.221 4.600 4.340 0.066 0.000 0.275 76 L C 1.233 178.102 176.870 -0.002 0.000 1.129 76 L CA -0.591 54.300 54.840 0.085 0.000 0.839 76 L CB 0.593 42.719 42.059 0.111 0.000 1.133 76 L HN 0.480 nan 8.230 nan 0.000 0.453 77 R N 2.433 122.852 120.500 -0.135 0.000 2.570 77 R HA 0.028 4.407 4.340 0.066 0.000 0.277 77 R C 0.253 176.407 176.300 -0.244 0.000 1.039 77 R CA -0.257 55.694 56.100 -0.247 0.000 1.065 77 R CB 0.643 30.659 30.300 -0.472 0.000 0.964 77 R HN 0.659 nan 8.270 nan 0.000 0.428 78 E N 1.670 121.687 120.200 -0.306 0.000 2.204 78 E HA -0.180 4.210 4.350 0.066 0.000 0.195 78 E C 0.576 177.075 176.600 -0.169 0.000 0.990 78 E CA 1.272 57.432 56.400 -0.401 0.000 0.821 78 E CB -0.011 29.464 29.700 -0.376 0.000 0.750 78 E HN 0.755 nan 8.360 nan 0.000 0.477 79 N N 0.749 119.380 118.700 -0.115 0.000 2.276 79 N HA 0.060 4.840 4.740 0.066 0.000 0.212 79 N C -0.247 175.282 175.510 0.031 0.000 1.127 79 N CA -0.020 53.021 53.050 -0.015 0.000 0.834 79 N CB 0.181 38.674 38.487 0.010 0.000 1.014 79 N HN -0.093 nan 8.380 nan 0.000 0.491 80 A N 0.768 123.576 122.820 -0.021 0.000 2.454 80 A HA 0.393 4.753 4.320 0.066 0.000 0.260 80 A C 0.053 177.679 177.584 0.071 0.000 1.106 80 A CA -0.046 52.008 52.037 0.029 0.000 0.780 80 A CB 0.273 19.246 19.000 -0.045 0.000 1.044 80 A HN 0.353 nan 8.150 nan 0.000 0.498 81 K N 1.326 121.784 120.400 0.097 0.000 2.443 81 K HA 0.422 4.781 4.320 0.066 0.000 0.251 81 K C -1.273 175.360 176.600 0.055 0.000 0.972 81 K CA -0.522 55.828 56.287 0.104 0.000 0.833 81 K CB 1.622 34.215 32.500 0.155 0.000 1.317 81 K HN 0.758 nan 8.250 nan 0.000 0.441 82 W N 0.423 121.811 121.300 0.146 0.000 2.141 82 W HA 0.032 4.734 4.660 0.070 0.000 0.354 82 W C 1.698 178.281 176.519 0.107 0.000 1.297 82 W CA -0.050 57.373 57.345 0.130 0.000 1.380 82 W CB 0.663 30.190 29.460 0.111 0.000 1.168 82 W HN 0.730 nan 8.180 nan 0.000 0.639 83 S N -0.509 115.416 115.700 0.375 0.000 2.474 83 S HA -0.231 4.278 4.470 0.066 0.000 0.235 83 S C 0.983 175.692 174.600 0.183 0.000 0.997 83 S CA 1.453 59.784 58.200 0.217 0.000 0.949 83 S CB -0.497 62.805 63.200 0.170 0.000 0.766 83 S HN 0.618 nan 8.310 nan 0.000 0.517 84 D N 0.190 120.716 120.400 0.210 0.000 2.340 84 D HA 0.275 4.955 4.640 0.066 0.000 0.220 84 D C 1.422 177.810 176.300 0.145 0.000 1.039 84 D CA 0.564 54.651 54.000 0.145 0.000 0.866 84 D CB -0.533 40.332 40.800 0.109 0.000 0.913 84 D HN 0.531 nan 8.370 nan 0.000 0.523 85 G N 0.144 109.053 108.800 0.181 0.000 2.217 85 G HA2 -0.277 3.722 3.960 0.066 0.000 0.246 85 G HA3 -0.277 3.722 3.960 0.066 0.000 0.246 85 G C 0.552 175.561 174.900 0.182 0.000 0.990 85 G CA 0.403 45.598 45.100 0.158 0.000 0.627 85 G HN 0.806 nan 8.290 nan 0.000 0.522 86 T N 0.334 115.024 114.554 0.227 0.000 2.913 86 T HA 0.568 4.958 4.350 0.066 0.000 0.297 86 T C -2.250 172.660 174.700 0.350 0.000 1.029 86 T CA -1.171 61.076 62.100 0.245 0.000 1.104 86 T CB 1.900 70.881 68.868 0.189 0.000 0.964 86 T HN 0.110 nan 8.240 nan 0.000 0.532 87 P HA 0.223 nan 4.420 nan 0.000 0.268 87 P C -0.608 176.897 177.300 0.341 0.000 1.205 87 P CA -0.505 62.755 63.100 0.267 0.000 0.771 87 P CB 0.427 32.270 31.700 0.237 0.000 0.858 88 V N 3.520 123.533 119.914 0.166 0.000 2.461 88 V HA 0.327 4.487 4.120 0.066 0.000 0.275 88 V C 0.872 177.087 176.094 0.203 0.000 1.047 88 V CA 0.199 62.548 62.300 0.082 0.000 0.955 88 V CB 0.527 32.244 31.823 -0.177 0.000 0.988 88 V HN 0.717 nan 8.190 nan 0.000 0.471 89 T N 1.816 116.514 114.554 0.240 0.000 2.910 89 T HA 0.679 5.068 4.350 0.066 0.000 0.287 89 T C 1.071 175.866 174.700 0.158 0.000 1.050 89 T CA -0.082 62.122 62.100 0.173 0.000 1.011 89 T CB 1.972 70.941 68.868 0.168 0.000 1.195 89 T HN 0.587 nan 8.240 nan 0.000 0.540 90 A N -0.179 122.640 122.820 -0.001 0.000 2.015 90 A HA -0.058 4.301 4.320 0.066 0.000 0.219 90 A C 2.089 179.657 177.584 -0.026 0.000 1.163 90 A CA 1.129 53.165 52.037 -0.002 0.000 0.646 90 A CB -1.256 17.743 19.000 -0.001 0.000 0.806 90 A HN 0.939 nan 8.150 nan 0.000 0.448 91 H N 0.462 119.623 119.070 0.152 0.000 2.387 91 H HA -0.106 4.490 4.556 0.067 0.000 0.299 91 H C 1.355 176.758 175.328 0.126 0.000 1.090 91 H CA 1.476 57.604 56.048 0.133 0.000 1.332 91 H CB -0.297 29.516 29.762 0.085 0.000 1.386 91 H HN 0.490 nan 8.280 nan 0.000 0.516 92 D N 0.510 121.028 120.400 0.197 0.000 2.123 92 D HA -0.133 4.547 4.640 0.066 0.000 0.196 92 D C 2.063 178.326 176.300 -0.061 0.000 0.992 92 D CA 0.892 54.959 54.000 0.110 0.000 0.833 92 D CB -0.462 40.423 40.800 0.143 0.000 0.954 92 D HN 0.281 nan 8.370 nan 0.000 0.455 93 F N 0.742 120.572 119.950 -0.201 0.000 2.186 93 F HA -0.127 4.439 4.527 0.065 0.000 0.299 93 F C 2.523 178.103 175.800 -0.367 0.000 1.090 93 F CA 0.341 57.981 58.000 -0.600 0.000 1.307 93 F CB -0.496 37.475 39.000 -1.714 0.000 1.019 93 F HN -0.187 nan 8.300 nan 0.000 0.489 94 V N -0.571 119.416 119.914 0.122 0.000 2.261 94 V HA -0.344 3.815 4.120 0.066 0.000 0.246 94 V C 2.091 178.341 176.094 0.259 0.000 1.047 94 V CA 2.142 64.624 62.300 0.303 0.000 1.015 94 V CB -0.896 31.121 31.823 0.323 0.000 0.642 94 V HN 0.419 nan 8.190 nan 0.000 0.446 95 Y N 1.312 121.688 120.300 0.127 0.000 2.128 95 Y HA -0.254 4.335 4.550 0.066 0.000 0.284 95 Y C 2.726 178.707 175.900 0.135 0.000 1.154 95 Y CA 1.997 60.157 58.100 0.100 0.000 1.149 95 Y CB -0.485 38.002 38.460 0.045 0.000 0.976 95 Y HN 0.207 nan 8.280 nan 0.000 0.505 96 S N -0.354 115.421 115.700 0.125 0.000 2.356 96 S HA -0.207 4.302 4.470 0.066 0.000 0.223 96 S C 1.520 176.283 174.600 0.273 0.000 1.032 96 S CA 1.541 59.838 58.200 0.162 0.000 1.005 96 S CB -0.699 62.642 63.200 0.234 0.000 0.867 96 S HN 0.660 nan 8.310 nan 0.000 0.449 97 W N 2.198 123.532 121.300 0.056 0.000 2.425 97 W HA 0.061 4.760 4.660 0.064 0.000 0.277 97 W C 2.412 178.907 176.519 -0.041 0.000 1.231 97 W CA -0.068 57.313 57.345 0.060 0.000 1.248 97 W CB -1.062 28.537 29.460 0.231 0.000 1.117 97 W HN 0.424 nan 8.180 nan 0.000 0.568 98 Q N -0.178 119.716 119.800 0.157 0.000 2.079 98 Q HA -0.178 4.201 4.340 0.066 0.000 0.200 98 Q C 2.306 178.229 176.000 -0.127 0.000 0.974 98 Q CA 1.586 57.404 55.803 0.024 0.000 0.840 98 Q CB -0.411 28.339 28.738 0.020 0.000 0.898 98 Q HN 0.242 nan 8.270 nan 0.000 0.430 99 R N 0.554 120.880 120.500 -0.290 0.000 2.081 99 R HA -0.179 4.201 4.340 0.066 0.000 0.235 99 R C 2.232 178.268 176.300 -0.440 0.000 1.131 99 R CA 1.051 56.928 56.100 -0.372 0.000 0.960 99 R CB -0.262 29.759 30.300 -0.465 0.000 0.856 99 R HN 0.219 nan 8.270 nan 0.000 0.436 100 L N 0.692 121.523 121.223 -0.654 0.000 2.042 100 L HA -0.099 4.280 4.340 0.066 0.000 0.210 100 L C 2.208 178.918 176.870 -0.267 0.000 1.076 100 L CA 2.269 56.737 54.840 -0.620 0.000 0.749 100 L CB -0.701 41.059 42.059 -0.499 0.000 0.893 100 L HN 0.252 nan 8.230 nan 0.000 0.432 101 A N -1.365 121.357 122.820 -0.163 0.000 1.969 101 A HA -0.145 4.215 4.320 0.066 0.000 0.218 101 A C 1.068 178.605 177.584 -0.077 0.000 1.169 101 A CA 0.841 52.825 52.037 -0.089 0.000 0.635 101 A CB -0.808 18.175 19.000 -0.028 0.000 0.810 101 A HN 0.529 nan 8.150 nan 0.000 0.445 102 D N -0.040 120.306 120.400 -0.090 0.000 2.401 102 D HA 0.128 4.808 4.640 0.066 0.000 0.254 102 D C -1.538 174.730 176.300 -0.054 0.000 1.192 102 D CA -1.941 52.021 54.000 -0.062 0.000 0.885 102 D CB 1.072 41.832 40.800 -0.067 0.000 1.147 102 D HN 0.052 nan 8.370 nan 0.000 0.478 103 P HA -0.124 nan 4.420 nan 0.000 0.219 103 P C 0.830 178.116 177.300 -0.023 0.000 1.146 103 P CA 0.744 63.826 63.100 -0.029 0.000 0.808 103 P CB 0.311 32.000 31.700 -0.019 0.000 0.779 104 N N -0.943 117.747 118.700 -0.016 0.000 2.289 104 N HA -0.074 4.706 4.740 0.066 0.000 0.184 104 N C 1.467 176.976 175.510 -0.002 0.000 1.016 104 N CA 1.300 54.347 53.050 -0.005 0.000 0.872 104 N CB -1.006 37.482 38.487 0.002 0.000 0.973 104 N HN 0.187 nan 8.380 nan 0.000 0.433 105 T N 0.495 115.041 114.554 -0.015 0.000 2.995 105 T HA 0.132 4.522 4.350 0.066 0.000 0.269 105 T C 0.997 175.696 174.700 -0.003 0.000 1.091 105 T CA 0.748 62.847 62.100 -0.001 0.000 1.128 105 T CB -0.212 68.634 68.868 -0.036 0.000 0.891 105 T HN 0.375 nan 8.240 nan 0.000 0.492 106 A N 1.756 124.562 122.820 -0.025 0.000 2.687 106 A HA -0.151 4.209 4.320 0.066 0.000 0.299 106 A C 0.906 178.460 177.584 -0.050 0.000 1.497 106 A CA 0.655 52.669 52.037 -0.039 0.000 0.751 106 A CB -2.203 16.777 19.000 -0.033 0.000 1.048 106 A HN 0.497 nan 8.150 nan 0.000 0.464 107 S N 0.378 116.054 115.700 -0.041 0.000 2.549 107 S HA 0.485 4.995 4.470 0.066 0.000 0.279 107 S C -0.116 174.451 174.600 -0.056 0.000 1.321 107 S CA -0.734 57.456 58.200 -0.016 0.000 1.054 107 S CB 0.678 63.881 63.200 0.006 0.000 0.899 107 S HN 0.436 nan 8.310 nan 0.000 0.497 108 P HA -0.071 nan 4.420 nan 0.000 0.222 108 P C 0.132 177.362 177.300 -0.115 0.000 1.147 108 P CA 1.174 64.180 63.100 -0.157 0.000 0.790 108 P CB -0.062 31.548 31.700 -0.149 0.000 0.780 109 Y N -0.835 119.458 120.300 -0.011 0.000 2.658 109 Y HA 0.424 5.015 4.550 0.067 0.000 0.276 109 Y C 2.272 178.121 175.900 -0.085 0.000 1.167 109 Y CA -0.209 57.883 58.100 -0.013 0.000 1.230 109 Y CB -0.261 38.203 38.460 0.006 0.000 1.144 109 Y HN -0.067 nan 8.280 nan 0.000 0.529 110 A N -0.566 122.250 122.820 -0.007 0.000 1.948 110 A HA -0.213 4.147 4.320 0.066 0.000 0.220 110 A C 2.286 179.792 177.584 -0.131 0.000 1.177 110 A CA 2.273 54.267 52.037 -0.073 0.000 0.636 110 A CB -0.673 18.279 19.000 -0.080 0.000 0.815 110 A HN 0.344 nan 8.150 nan 0.000 0.449 111 S N -1.873 113.705 115.700 -0.203 0.000 2.547 111 S HA -0.083 4.427 4.470 0.066 0.000 0.235 111 S C 1.489 175.562 174.600 -0.879 0.000 0.980 111 S CA 0.715 58.671 58.200 -0.406 0.000 0.941 111 S CB -0.515 62.488 63.200 -0.328 0.000 0.763 111 S HN 0.637 nan 8.310 nan 0.000 0.532 112 Y N 2.204 122.070 120.300 -0.723 0.000 2.256 112 Y HA -0.085 4.504 4.550 0.064 0.000 0.288 112 Y C 1.653 177.296 175.900 -0.427 0.000 1.155 112 Y CA 1.082 58.814 58.100 -0.612 0.000 1.203 112 Y CB -0.301 38.053 38.460 -0.175 0.000 0.980 112 Y HN 0.229 nan 8.280 nan 0.000 0.530 113 L N -0.751 120.314 121.223 -0.264 0.000 2.313 113 L HA -0.172 4.208 4.340 0.066 0.000 0.214 113 L C 2.155 178.892 176.870 -0.222 0.000 1.119 113 L CA 0.883 55.595 54.840 -0.214 0.000 0.809 113 L CB -0.409 41.572 42.059 -0.131 0.000 0.933 113 L HN 0.231 nan 8.230 nan 0.000 0.449 114 Q N -1.022 118.604 119.800 -0.289 0.000 2.137 114 Q HA -0.143 4.237 4.340 0.066 0.000 0.198 114 Q C 2.047 177.826 176.000 -0.367 0.000 0.960 114 Q CA 1.172 56.811 55.803 -0.274 0.000 0.847 114 Q CB -0.046 28.600 28.738 -0.154 0.000 0.915 114 Q HN 0.428 nan 8.270 nan 0.000 0.448 115 Y N -0.114 120.004 120.300 -0.303 0.000 2.224 115 Y HA -0.056 4.533 4.550 0.065 0.000 0.289 115 Y C 2.383 178.115 175.900 -0.280 0.000 1.146 115 Y CA 1.072 59.014 58.100 -0.264 0.000 1.182 115 Y CB -1.063 37.294 38.460 -0.172 0.000 0.983 115 Y HN 0.129 nan 8.280 nan 0.000 0.524 116 G N -2.302 106.408 108.800 -0.149 0.000 2.813 116 G HA2 -0.064 3.936 3.960 0.066 0.000 0.209 116 G HA3 -0.064 3.936 3.960 0.066 0.000 0.209 116 G C -0.339 174.582 174.900 0.035 0.000 1.150 116 G CA 0.330 45.462 45.100 0.053 0.000 0.785 116 G HN 0.646 nan 8.290 nan 0.000 0.535 117 H N -1.601 117.469 119.070 0.001 0.000 2.826 117 H HA -0.133 4.463 4.556 0.065 0.000 0.306 117 H C -0.008 175.294 175.328 -0.043 0.000 1.235 117 H CA -0.018 56.021 56.048 -0.015 0.000 1.150 117 H CB -2.130 27.620 29.762 -0.019 0.000 1.409 117 H HN 0.315 nan 8.280 nan 0.000 0.420 118 I N 0.737 121.313 120.570 0.011 0.000 2.648 118 I HA 0.156 4.366 4.170 0.066 0.000 0.284 118 I C 1.248 177.395 176.117 0.051 0.000 1.153 118 I CA 0.855 62.179 61.300 0.040 0.000 1.426 118 I CB 0.511 38.585 38.000 0.122 0.000 1.381 118 I HN 0.504 nan 8.210 nan 0.000 0.571 119 A N 5.753 128.602 122.820 0.048 0.000 2.565 119 A HA 0.107 4.467 4.320 0.066 0.000 0.237 119 A C 1.092 178.704 177.584 0.047 0.000 1.053 119 A CA 0.075 52.139 52.037 0.045 0.000 0.755 119 A CB -0.296 18.725 19.000 0.034 0.000 0.980 119 A HN 0.911 nan 8.150 nan 0.000 0.506 120 N N -0.435 118.289 118.700 0.041 0.000 2.863 120 N HA -0.222 4.558 4.740 0.066 0.000 0.245 120 N C 0.550 176.078 175.510 0.030 0.000 1.001 120 N CA 1.219 54.290 53.050 0.035 0.000 0.901 120 N CB -1.457 37.051 38.487 0.035 0.000 1.124 120 N HN 0.788 nan 8.380 nan 0.000 0.582 121 I N 1.576 122.162 120.570 0.026 0.000 2.226 121 I HA -0.162 4.047 4.170 0.066 0.000 0.245 121 I C 1.671 177.788 176.117 -0.000 0.000 1.100 121 I CA 1.769 63.074 61.300 0.007 0.000 1.374 121 I CB -0.085 37.905 38.000 -0.017 0.000 1.057 121 I HN 0.038 nan 8.210 nan 0.000 0.413 122 D N 0.706 121.112 120.400 0.009 0.000 2.104 122 D HA -0.204 4.476 4.640 0.066 0.000 0.194 122 D C 1.843 178.149 176.300 0.009 0.000 0.994 122 D CA 1.610 55.616 54.000 0.010 0.000 0.830 122 D CB -0.473 40.342 40.800 0.025 0.000 0.959 122 D HN 0.365 nan 8.370 nan 0.000 0.452 123 D N -0.090 120.319 120.400 0.014 0.000 2.149 123 D HA -0.084 4.596 4.640 0.066 0.000 0.198 123 D C 2.208 178.513 176.300 0.009 0.000 0.990 123 D CA 0.413 54.420 54.000 0.013 0.000 0.839 123 D CB -0.199 40.611 40.800 0.016 0.000 0.948 123 D HN 0.270 nan 8.370 nan 0.000 0.460 124 I N 0.224 120.798 120.570 0.008 0.000 2.233 124 I HA -0.184 4.026 4.170 0.066 0.000 0.243 124 I C 2.290 178.403 176.117 -0.006 0.000 1.093 124 I CA 0.621 61.924 61.300 0.004 0.000 1.380 124 I CB -0.089 37.916 38.000 0.007 0.000 1.067 124 I HN -0.043 nan 8.210 nan 0.000 0.413 125 I N 0.931 121.494 120.570 -0.012 0.000 2.264 125 I HA -0.293 3.916 4.170 0.066 0.000 0.248 125 I C 2.484 178.594 176.117 -0.011 0.000 1.111 125 I CA 1.380 62.668 61.300 -0.020 0.000 1.382 125 I CB -0.401 37.582 38.000 -0.027 0.000 1.060 125 I HN 0.196 nan 8.210 nan 0.000 0.418 126 A N 0.186 123.003 122.820 -0.004 0.000 2.235 126 A HA 0.228 4.587 4.320 0.066 0.000 0.208 126 A C 1.901 179.485 177.584 0.001 0.000 1.172 126 A CA 0.861 52.898 52.037 -0.000 0.000 0.786 126 A CB -0.698 18.305 19.000 0.004 0.000 0.804 126 A HN 0.603 nan 8.150 nan 0.000 0.479 127 G N -0.615 108.185 108.800 -0.000 0.000 2.159 127 G HA2 -0.312 3.688 3.960 0.066 0.000 0.256 127 G HA3 -0.312 3.688 3.960 0.066 0.000 0.256 127 G C 0.922 175.825 174.900 0.005 0.000 0.977 127 G CA 0.855 45.956 45.100 0.002 0.000 0.652 127 G HN 0.558 nan 8.290 nan 0.000 0.531 128 K N -0.397 120.006 120.400 0.006 0.000 2.186 128 K HA 0.113 4.473 4.320 0.066 0.000 0.202 128 K C 1.082 177.688 176.600 0.010 0.000 1.052 128 K CA 0.861 57.153 56.287 0.008 0.000 0.965 128 K CB 0.137 32.643 32.500 0.009 0.000 0.746 128 K HN 0.356 nan 8.250 nan 0.000 0.457 129 K N 0.805 121.212 120.400 0.011 0.000 2.435 129 K HA 0.311 4.671 4.320 0.066 0.000 0.251 129 K C -2.757 173.852 176.600 0.014 0.000 0.954 129 K CA -2.239 54.057 56.287 0.014 0.000 0.820 129 K CB 2.048 34.559 32.500 0.018 0.000 1.292 129 K HN -0.167 nan 8.250 nan 0.000 0.436 130 P HA 0.021 nan 4.420 nan 0.000 0.274 130 P C 0.007 177.320 177.300 0.022 0.000 1.237 130 P CA -0.064 63.047 63.100 0.018 0.000 0.793 130 P CB 0.961 32.674 31.700 0.021 0.000 0.977 131 A N 2.147 124.978 122.820 0.019 0.000 1.978 131 A HA -0.158 4.202 4.320 0.066 0.000 0.220 131 A C 1.913 179.523 177.584 0.044 0.000 1.170 131 A CA 2.334 54.384 52.037 0.021 0.000 0.636 131 A CB -2.019 16.982 19.000 0.000 0.000 0.810 131 A HN 0.691 nan 8.150 nan 0.000 0.448 132 T N -2.530 112.052 114.554 0.047 0.000 3.077 132 T HA -0.085 4.305 4.350 0.066 0.000 0.269 132 T C 0.659 175.395 174.700 0.059 0.000 1.146 132 T CA 1.407 63.544 62.100 0.062 0.000 1.091 132 T CB -0.363 68.540 68.868 0.058 0.000 0.892 132 T HN 0.357 nan 8.240 nan 0.000 0.533 133 D N 0.375 120.805 120.400 0.050 0.000 2.340 133 D HA 0.249 4.929 4.640 0.066 0.000 0.220 133 D C 0.424 176.757 176.300 0.055 0.000 1.039 133 D CA -0.292 53.736 54.000 0.046 0.000 0.866 133 D CB -0.265 40.556 40.800 0.035 0.000 0.913 133 D HN 0.337 nan 8.370 nan 0.000 0.523 134 L N 0.732 121.998 121.223 0.072 0.000 2.514 134 L HA 0.229 4.608 4.340 0.066 0.000 0.280 134 L C 1.210 178.136 176.870 0.093 0.000 1.223 134 L CA 0.264 55.160 54.840 0.094 0.000 0.864 134 L CB 0.702 42.842 42.059 0.135 0.000 1.118 134 L HN 0.046 nan 8.230 nan 0.000 0.494 135 G N 5.359 114.211 108.800 0.088 0.000 3.197 135 G HA2 0.438 4.438 3.960 0.066 0.000 0.257 135 G HA3 0.438 4.438 3.960 0.066 0.000 0.257 135 G C -0.531 174.393 174.900 0.040 0.000 0.835 135 G CA 0.359 45.493 45.100 0.056 0.000 2.001 135 G HN 0.762 nan 8.290 nan 0.000 0.625 136 V N -1.685 118.251 119.914 0.037 0.000 2.876 136 V HA 0.971 5.130 4.120 0.066 0.000 0.312 136 V C -0.708 175.356 176.094 -0.051 0.000 1.085 136 V CA -1.452 60.798 62.300 -0.084 0.000 0.945 136 V CB 2.065 33.900 31.823 0.019 0.000 1.017 136 V HN 0.563 nan 8.190 nan 0.000 0.428 137 K N 2.647 122.950 120.400 -0.162 0.000 2.546 137 K HA 0.874 5.233 4.320 0.066 0.000 0.264 137 K C -1.042 175.554 176.600 -0.007 0.000 0.937 137 K CA -0.458 55.817 56.287 -0.021 0.000 0.833 137 K CB 2.361 34.856 32.500 -0.009 0.000 1.378 137 K HN 1.380 nan 8.250 nan 0.000 0.432 138 A N 3.496 126.369 122.820 0.089 0.000 2.269 138 A HA 0.374 4.734 4.320 0.066 0.000 0.302 138 A C 0.640 178.238 177.584 0.023 0.000 1.266 138 A CA -0.912 51.139 52.037 0.023 0.000 0.894 138 A CB -0.118 18.737 19.000 -0.243 0.000 1.147 138 A HN 0.803 nan 8.150 nan 0.000 0.537 139 L N 1.067 122.295 121.223 0.008 0.000 2.313 139 L HA 0.120 4.500 4.340 0.066 0.000 0.214 139 L C 0.447 177.341 176.870 0.039 0.000 1.119 139 L CA 0.913 55.768 54.840 0.025 0.000 0.809 139 L CB -0.382 41.686 42.059 0.015 0.000 0.933 139 L HN 0.955 nan 8.230 nan 0.000 0.449 140 D N -4.748 115.659 120.400 0.011 0.000 2.792 140 D HA 0.034 4.714 4.640 0.066 0.000 0.335 140 D C -0.072 176.161 176.300 -0.111 0.000 1.353 140 D CA -0.609 53.399 54.000 0.013 0.000 0.839 140 D CB 0.199 41.022 40.800 0.039 0.000 1.396 140 D HN -0.341 nan 8.370 nan 0.000 0.479 141 D N -1.412 118.899 120.400 -0.148 0.000 2.218 141 D HA -0.094 4.586 4.640 0.066 0.000 0.204 141 D C 0.477 176.517 176.300 -0.433 0.000 0.976 141 D CA 1.238 55.034 54.000 -0.340 0.000 0.853 141 D CB -0.065 40.470 40.800 -0.442 0.000 0.939 141 D HN 0.394 nan 8.370 nan 0.000 0.481 142 H N -1.168 117.926 119.070 0.041 0.000 2.512 142 H HA 0.305 4.901 4.556 0.066 0.000 0.276 142 H C -0.213 175.157 175.328 0.069 0.000 1.126 142 H CA 0.074 56.154 56.048 0.054 0.000 1.060 142 H CB 0.401 30.200 29.762 0.061 0.000 1.646 142 H HN -0.135 nan 8.280 nan 0.000 0.571 143 T N 1.242 115.859 114.554 0.104 0.000 2.949 143 T HA 0.231 4.621 4.350 0.066 0.000 0.300 143 T C -0.987 173.776 174.700 0.104 0.000 0.988 143 T CA -0.523 61.633 62.100 0.093 0.000 0.993 143 T CB 1.245 70.162 68.868 0.082 0.000 0.984 143 T HN 0.137 nan 8.240 nan 0.000 0.442 144 F N 2.829 122.750 119.950 -0.050 0.000 2.444 144 F HA 0.577 5.143 4.527 0.065 0.000 0.342 144 F C 0.132 175.963 175.800 0.052 0.000 1.121 144 F CA -0.621 57.347 58.000 -0.053 0.000 0.997 144 F CB 0.902 39.795 39.000 -0.177 0.000 1.130 144 F HN 0.470 nan 8.300 nan 0.000 0.454 145 E N 5.857 125.795 120.200 -0.437 0.000 2.176 145 E HA 0.504 4.894 4.350 0.066 0.000 0.267 145 E C -1.820 174.534 176.600 -0.410 0.000 0.893 145 E CA -0.752 55.472 56.400 -0.293 0.000 0.761 145 E CB 2.010 31.613 29.700 -0.162 0.000 1.133 145 E HN 0.511 nan 8.360 nan 0.000 0.409 146 V N 3.581 123.407 119.914 -0.147 0.000 2.459 146 V HA 0.350 4.510 4.120 0.066 0.000 0.295 146 V C -0.200 175.909 176.094 0.024 0.000 1.029 146 V CA -0.616 61.647 62.300 -0.062 0.000 0.874 146 V CB 1.924 33.888 31.823 0.234 0.000 0.985 146 V HN 0.714 nan 8.190 nan 0.000 0.438 147 T N 6.585 121.136 114.554 -0.006 0.000 2.770 147 T HA 0.618 5.008 4.350 0.066 0.000 0.283 147 T C -0.251 174.446 174.700 -0.006 0.000 0.988 147 T CA -0.262 61.839 62.100 0.002 0.000 0.957 147 T CB 0.639 69.502 68.868 -0.008 0.000 0.930 147 T HN 0.340 nan 8.240 nan 0.000 0.443 148 L N 2.155 123.370 121.223 -0.014 0.000 2.375 148 L HA 0.422 4.801 4.340 0.066 0.000 0.268 148 L C 1.611 178.492 176.870 0.018 0.000 1.058 148 L CA -0.797 54.029 54.840 -0.024 0.000 0.803 148 L CB 1.325 43.343 42.059 -0.068 0.000 1.212 148 L HN 0.714 nan 8.230 nan 0.000 0.451 149 S N -0.726 115.001 115.700 0.045 0.000 2.562 149 S HA 0.061 4.571 4.470 0.066 0.000 0.221 149 S C 0.180 174.787 174.600 0.011 0.000 0.975 149 S CA -0.153 58.069 58.200 0.038 0.000 0.918 149 S CB -0.365 62.874 63.200 0.065 0.000 0.772 149 S HN 0.783 nan 8.310 nan 0.000 0.531 150 E N -0.624 119.573 120.200 -0.006 0.000 2.416 150 E HA 0.434 4.824 4.350 0.066 0.000 0.280 150 E C -3.565 173.033 176.600 -0.003 0.000 1.055 150 E CA -2.662 53.719 56.400 -0.032 0.000 0.825 150 E CB 0.220 29.857 29.700 -0.105 0.000 1.312 150 E HN -0.063 nan 8.360 nan 0.000 0.452 151 P HA 0.107 nan 4.420 nan 0.000 0.267 151 P C -0.660 176.668 177.300 0.047 0.000 1.205 151 P CA -0.272 62.912 63.100 0.141 0.000 0.765 151 P CB 0.619 32.446 31.700 0.212 0.000 0.828 152 V N 6.766 126.743 119.914 0.105 0.000 2.385 152 V HA 0.181 4.341 4.120 0.066 0.000 0.277 152 V C -1.700 174.352 176.094 -0.070 0.000 1.012 152 V CA -1.308 60.893 62.300 -0.166 0.000 0.832 152 V CB 1.669 33.346 31.823 -0.243 0.000 1.028 152 V HN 0.390 nan 8.190 nan 0.000 0.436 153 P HA -0.099 nan 4.420 nan 0.000 0.219 153 P C 1.037 178.415 177.300 0.130 0.000 1.150 153 P CA 1.123 64.001 63.100 -0.370 0.000 0.814 153 P CB 0.001 31.272 31.700 -0.715 0.000 0.787 154 Y N -4.254 116.086 120.300 0.068 0.000 2.462 154 Y HA 0.295 4.884 4.550 0.065 0.000 0.293 154 Y C 1.771 177.510 175.900 -0.269 0.000 1.195 154 Y CA -0.904 57.152 58.100 -0.074 0.000 1.276 154 Y CB -1.449 36.976 38.460 -0.058 0.000 1.082 154 Y HN -0.204 nan 8.280 nan 0.000 0.514 155 F N 2.470 122.105 119.950 -0.525 0.000 2.091 155 F HA -0.293 4.275 4.527 0.069 0.000 0.299 155 F C 2.403 177.811 175.800 -0.653 0.000 1.103 155 F CA 1.760 59.349 58.000 -0.684 0.000 1.228 155 F CB -0.898 37.524 39.000 -0.964 0.000 0.984 155 F HN 0.325 nan 8.300 nan 0.000 0.477 156 Y N 0.013 119.867 120.300 -0.743 0.000 2.256 156 Y HA -0.140 4.446 4.550 0.061 0.000 0.288 156 Y C 2.051 177.729 175.900 -0.370 0.000 1.155 156 Y CA 1.521 59.275 58.100 -0.577 0.000 1.203 156 Y CB -1.377 36.938 38.460 -0.241 0.000 0.980 156 Y HN 0.031 nan 8.280 nan 0.000 0.530 157 K N 0.246 120.049 120.400 -0.995 0.000 2.147 157 K HA -0.114 4.246 4.320 0.066 0.000 0.205 157 K C 1.700 178.120 176.600 -0.300 0.000 1.049 157 K CA 1.454 57.428 56.287 -0.521 0.000 0.936 157 K CB -0.272 32.000 32.500 -0.379 0.000 0.722 157 K HN 0.263 nan 8.250 nan 0.000 0.446 158 L N 0.776 121.675 121.223 -0.541 0.000 2.191 158 L HA -0.134 4.245 4.340 0.066 0.000 0.212 158 L C 1.771 178.566 176.870 -0.124 0.000 1.103 158 L CA 1.454 56.030 54.840 -0.440 0.000 0.769 158 L CB -0.436 41.141 42.059 -0.804 0.000 0.908 158 L HN 0.153 nan 8.230 nan 0.000 0.438 159 L N -0.676 120.385 121.223 -0.271 0.000 2.622 159 L HA -0.060 4.320 4.340 0.066 0.000 0.233 159 L C 1.992 178.859 176.870 -0.006 0.000 1.156 159 L CA 0.170 54.915 54.840 -0.159 0.000 0.866 159 L CB -0.669 41.191 42.059 -0.330 0.000 0.980 159 L HN 0.263 nan 8.230 nan 0.000 0.448 160 V N -4.670 115.277 119.914 0.055 0.000 3.461 160 V HA -0.009 4.151 4.120 0.066 0.000 0.267 160 V C 1.291 177.444 176.094 0.097 0.000 1.186 160 V CA 0.109 62.481 62.300 0.119 0.000 1.154 160 V CB -0.932 30.988 31.823 0.161 0.000 0.802 160 V HN 0.349 nan 8.190 nan 0.000 0.474 161 H N 1.540 120.581 119.070 -0.048 0.000 2.652 161 H HA 0.240 4.835 4.556 0.065 0.000 0.349 161 H C -1.819 173.356 175.328 -0.255 0.000 1.099 161 H CA -1.345 54.564 56.048 -0.231 0.000 1.417 161 H CB 2.133 31.585 29.762 -0.515 0.000 1.457 161 H HN 0.097 nan 8.280 nan 0.000 0.568 162 P HA -0.176 nan 4.420 nan 0.000 0.218 162 P C 1.552 178.659 177.300 -0.323 0.000 1.148 162 P CA 1.849 64.678 63.100 -0.452 0.000 0.822 162 P CB 0.120 31.515 31.700 -0.509 0.000 0.784 163 S N -0.811 114.662 115.700 -0.379 0.000 2.442 163 S HA -0.105 4.405 4.470 0.066 0.000 0.236 163 S C 1.536 176.107 174.600 -0.047 0.000 1.007 163 S CA 1.401 59.519 58.200 -0.137 0.000 0.965 163 S CB -1.564 61.511 63.200 -0.207 0.000 0.773 163 S HN 0.154 nan 8.310 nan 0.000 0.504 164 V N -1.198 118.674 119.914 -0.070 0.000 3.342 164 V HA 0.435 4.594 4.120 0.066 0.000 0.322 164 V C 0.363 176.695 176.094 0.397 0.000 1.370 164 V CA -0.647 61.672 62.300 0.031 0.000 1.170 164 V CB -0.687 30.999 31.823 -0.228 0.000 1.101 164 V HN 0.271 nan 8.190 nan 0.000 0.442 165 S N 3.384 119.203 115.700 0.199 0.000 2.601 165 S HA 0.463 4.973 4.470 0.066 0.000 0.271 165 S C -2.210 172.425 174.600 0.059 0.000 1.305 165 S CA -0.519 57.793 58.200 0.186 0.000 1.022 165 S CB 1.083 64.346 63.200 0.105 0.000 0.940 165 S HN 0.505 nan 8.310 nan 0.000 0.525 166 P HA 0.293 nan 4.420 nan 0.000 0.277 166 P C -0.903 176.437 177.300 0.067 0.000 1.240 166 P CA -0.417 62.539 63.100 -0.240 0.000 0.798 166 P CB 0.687 32.015 31.700 -0.621 0.000 0.979 167 V N -1.609 118.340 119.914 0.057 0.000 2.769 167 V HA 0.663 4.823 4.120 0.066 0.000 0.312 167 V C -2.666 173.342 176.094 -0.143 0.000 1.061 167 V CA -3.018 59.218 62.300 -0.106 0.000 0.931 167 V CB 1.782 33.341 31.823 -0.440 0.000 1.010 167 V HN 0.370 nan 8.190 nan 0.000 0.433 168 P HA 0.280 nan 4.420 nan 0.000 0.284 168 P C 0.254 177.189 177.300 -0.608 0.000 1.343 168 P CA -0.320 62.299 63.100 -0.803 0.000 0.826 168 P CB 1.533 32.615 31.700 -1.030 0.000 0.956 169 K N 3.387 123.424 120.400 -0.604 0.000 2.044 169 K HA -0.205 4.155 4.320 0.066 0.000 0.210 169 K C 1.870 178.165 176.600 -0.507 0.000 1.049 169 K CA 2.474 58.274 56.287 -0.813 0.000 0.927 169 K CB -0.273 31.532 32.500 -1.159 0.000 0.713 169 K HN 0.442 nan 8.250 nan 0.000 0.443 170 S N 0.152 115.611 115.700 -0.402 0.000 2.368 170 S HA -0.136 4.374 4.470 0.066 0.000 0.225 170 S C 2.186 176.677 174.600 -0.182 0.000 1.030 170 S CA 1.047 59.088 58.200 -0.264 0.000 0.999 170 S CB -0.433 62.642 63.200 -0.209 0.000 0.844 170 S HN 0.431 nan 8.310 nan 0.000 0.459 171 A N 1.463 124.200 122.820 -0.138 0.000 1.897 171 A HA 0.146 4.506 4.320 0.066 0.000 0.215 171 A C 2.433 180.080 177.584 0.105 0.000 1.181 171 A CA 1.377 53.496 52.037 0.137 0.000 0.620 171 A CB -1.097 18.015 19.000 0.186 0.000 0.821 171 A HN 0.428 nan 8.150 nan 0.000 0.443 172 V N 0.087 119.830 119.914 -0.285 0.000 2.255 172 V HA -0.303 3.857 4.120 0.066 0.000 0.247 172 V C 2.473 178.520 176.094 -0.079 0.000 1.051 172 V CA 2.471 64.555 62.300 -0.360 0.000 1.018 172 V CB -0.807 30.717 31.823 -0.499 0.000 0.641 172 V HN 0.649 nan 8.190 nan 0.000 0.445 173 E N -0.427 119.695 120.200 -0.130 0.000 2.110 173 E HA -0.265 4.124 4.350 0.066 0.000 0.193 173 E C 2.269 178.795 176.600 -0.124 0.000 0.988 173 E CA 1.478 57.819 56.400 -0.099 0.000 0.804 173 E CB -0.084 29.532 29.700 -0.139 0.000 0.745 173 E HN 0.535 nan 8.360 nan 0.000 0.458 174 K N -0.162 120.109 120.400 -0.214 0.000 2.062 174 K HA -0.073 4.287 4.320 0.066 0.000 0.205 174 K C 1.066 177.381 176.600 -0.475 0.000 1.051 174 K CA 1.135 57.156 56.287 -0.443 0.000 0.941 174 K CB 0.099 32.157 32.500 -0.736 0.000 0.719 174 K HN 0.041 nan 8.250 nan 0.000 0.440 175 F N 0.122 120.114 119.950 0.070 0.000 2.678 175 F HA 0.334 4.901 4.527 0.066 0.000 0.305 175 F C 1.337 177.227 175.800 0.149 0.000 1.090 175 F CA -0.030 58.038 58.000 0.113 0.000 1.272 175 F CB 0.646 39.737 39.000 0.152 0.000 1.060 175 F HN 0.274 nan 8.300 nan 0.000 0.576 176 G N 2.150 111.112 108.800 0.269 0.000 2.611 176 G HA2 -0.489 3.510 3.960 0.066 0.000 0.301 176 G HA3 -0.489 3.510 3.960 0.066 0.000 0.301 176 G C 0.722 175.846 174.900 0.374 0.000 1.233 176 G CA 0.898 46.145 45.100 0.244 0.000 0.993 176 G HN 0.444 nan 8.290 nan 0.000 0.553 177 D N 0.418 120.972 120.400 0.257 0.000 2.371 177 D HA 0.071 4.751 4.640 0.066 0.000 0.221 177 D C 1.677 178.060 176.300 0.139 0.000 0.986 177 D CA 1.447 55.574 54.000 0.211 0.000 0.899 177 D CB -0.024 40.848 40.800 0.120 0.000 0.902 177 D HN 0.580 nan 8.370 nan 0.000 0.530 178 K N 0.251 120.759 120.400 0.179 0.000 2.397 178 K HA 0.088 4.448 4.320 0.066 0.000 0.202 178 K C 1.150 177.819 176.600 0.116 0.000 1.022 178 K CA -0.320 56.022 56.287 0.090 0.000 1.141 178 K CB -0.054 32.496 32.500 0.083 0.000 0.857 178 K HN 0.391 nan 8.250 nan 0.000 0.514 179 W N 1.375 122.753 121.300 0.129 0.000 2.392 179 W HA -0.153 4.545 4.660 0.065 0.000 0.279 179 W C 0.930 177.491 176.519 0.070 0.000 1.225 179 W CA 1.555 58.971 57.345 0.118 0.000 1.233 179 W CB -0.954 28.612 29.460 0.177 0.000 1.122 179 W HN -0.050 nan 8.180 nan 0.000 0.561 180 T N -0.959 113.306 114.554 -0.481 0.000 3.129 180 T HA 0.027 4.417 4.350 0.066 0.000 0.251 180 T C 0.867 175.537 174.700 -0.050 0.000 1.117 180 T CA 0.025 61.848 62.100 -0.463 0.000 1.034 180 T CB -0.129 68.397 68.868 -0.570 0.000 0.968 180 T HN -0.083 nan 8.240 nan 0.000 0.526 181 Q N 1.853 121.627 119.800 -0.042 0.000 2.421 181 Q HA 0.208 4.588 4.340 0.066 0.000 0.255 181 Q C -1.644 174.355 176.000 -0.001 0.000 1.013 181 Q CA -2.166 53.636 55.803 -0.002 0.000 0.895 181 Q CB 1.124 29.811 28.738 -0.085 0.000 1.271 181 Q HN 0.127 nan 8.270 nan 0.000 0.460 182 P HA -0.131 nan 4.420 nan 0.000 0.218 182 P C 0.505 177.794 177.300 -0.019 0.000 1.148 182 P CA 1.750 64.866 63.100 0.027 0.000 0.822 182 P CB 0.203 31.933 31.700 0.050 0.000 0.784 183 A N -0.990 121.793 122.820 -0.061 0.000 2.119 183 A HA -0.089 4.271 4.320 0.066 0.000 0.217 183 A C 1.836 179.319 177.584 -0.168 0.000 1.153 183 A CA 1.292 53.276 52.037 -0.089 0.000 0.692 183 A CB -0.692 18.254 19.000 -0.090 0.000 0.799 183 A HN 0.146 nan 8.150 nan 0.000 0.458 184 N N -1.195 117.359 118.700 -0.244 0.000 2.397 184 N HA 0.185 4.965 4.740 0.066 0.000 0.190 184 N C 0.457 175.926 175.510 -0.068 0.000 1.099 184 N CA -0.198 52.609 53.050 -0.404 0.000 0.876 184 N CB 0.201 38.177 38.487 -0.853 0.000 1.143 184 N HN 0.491 nan 8.380 nan 0.000 0.468 185 I N 1.882 122.469 120.570 0.028 0.000 2.754 185 I HA -0.005 4.205 4.170 0.066 0.000 0.285 185 I C -0.665 175.571 176.117 0.199 0.000 1.166 185 I CA 0.084 61.505 61.300 0.202 0.000 1.417 185 I CB 0.694 38.761 38.000 0.111 0.000 1.382 185 I HN -0.301 nan 8.210 nan 0.000 0.588 186 V N 5.689 125.786 119.914 0.305 0.000 2.577 186 V HA 0.454 4.614 4.120 0.066 0.000 0.303 186 V C -0.174 176.188 176.094 0.447 0.000 1.042 186 V CA -0.455 61.995 62.300 0.250 0.000 0.872 186 V CB 1.939 33.803 31.823 0.069 0.000 0.998 186 V HN 0.884 nan 8.190 nan 0.000 0.423 187 T N 0.077 114.869 114.554 0.398 0.000 2.916 187 T HA 0.473 4.863 4.350 0.066 0.000 0.292 187 T C 0.152 175.029 174.700 0.296 0.000 1.055 187 T CA -0.670 61.587 62.100 0.261 0.000 1.009 187 T CB 2.086 70.797 68.868 -0.262 0.000 1.118 187 T HN 0.641 nan 8.240 nan 0.000 0.497 188 N N -0.280 118.435 118.700 0.025 0.000 2.170 188 N HA 0.214 4.994 4.740 0.066 0.000 0.222 188 N C 0.623 176.118 175.510 -0.024 0.000 1.218 188 N CA -0.332 52.635 53.050 -0.139 0.000 0.889 188 N CB 0.398 38.456 38.487 -0.714 0.000 1.083 188 N HN 0.813 nan 8.380 nan 0.000 0.520 189 G N 0.043 108.762 108.800 -0.136 0.000 2.510 189 G HA2 0.507 4.507 3.960 0.066 0.000 0.280 189 G HA3 0.507 4.507 3.960 0.066 0.000 0.280 189 G C 0.808 175.315 174.900 -0.655 0.000 1.386 189 G CA -0.000 44.924 45.100 -0.292 0.000 1.047 189 G HN 0.211 nan 8.290 nan 0.000 0.527 190 A N -1.757 120.471 122.820 -0.987 0.000 2.121 190 A HA 0.288 4.648 4.320 0.066 0.000 0.218 190 A C 0.369 177.422 177.584 -0.883 0.000 1.154 190 A CA 0.869 52.234 52.037 -1.120 0.000 0.679 190 A CB -0.343 18.106 19.000 -0.920 0.000 0.795 190 A HN 0.454 nan 8.150 nan 0.000 0.458 191 Y N -1.256 118.899 120.300 -0.242 0.000 2.630 191 Y HA 0.585 5.173 4.550 0.062 0.000 0.337 191 Y C 0.233 176.052 175.900 -0.135 0.000 1.051 191 Y CA -0.946 57.070 58.100 -0.140 0.000 1.121 191 Y CB 1.566 39.962 38.460 -0.107 0.000 1.299 191 Y HN -0.080 nan 8.280 nan 0.000 0.498 192 K N 0.980 121.423 120.400 0.070 0.000 2.395 192 K HA 0.525 4.885 4.320 0.066 0.000 0.247 192 K C -1.806 174.805 176.600 0.018 0.000 0.973 192 K CA -1.215 55.079 56.287 0.013 0.000 0.828 192 K CB 2.547 35.064 32.500 0.029 0.000 1.272 192 K HN 0.392 nan 8.250 nan 0.000 0.439 193 L N 2.329 123.542 121.223 -0.016 0.000 2.281 193 L HA 0.194 4.573 4.340 0.066 0.000 0.285 193 L C 0.916 177.798 176.870 0.021 0.000 1.074 193 L CA 0.618 55.448 54.840 -0.016 0.000 0.817 193 L CB 0.725 42.761 42.059 -0.039 0.000 1.168 193 L HN 0.680 nan 8.230 nan 0.000 0.434 194 K N 3.315 123.734 120.400 0.031 0.000 2.161 194 K HA 0.220 4.580 4.320 0.066 0.000 0.205 194 K C -0.107 176.525 176.600 0.052 0.000 1.035 194 K CA 0.289 56.600 56.287 0.040 0.000 0.970 194 K CB 0.411 32.935 32.500 0.040 0.000 0.866 194 K HN 0.730 nan 8.250 nan 0.000 0.461 195 N N -0.671 118.068 118.700 0.065 0.000 2.229 195 N HA 0.120 4.900 4.740 0.066 0.000 0.298 195 N C -1.942 173.676 175.510 0.181 0.000 1.114 195 N CA -0.472 52.637 53.050 0.098 0.000 0.776 195 N CB 1.696 40.227 38.487 0.073 0.000 1.501 195 N HN 0.118 nan 8.380 nan 0.000 0.474 196 W N 2.632 123.916 121.300 -0.026 0.000 2.642 196 W HA 0.399 5.101 4.660 0.070 0.000 0.304 196 W C -2.012 174.491 176.519 -0.027 0.000 1.023 196 W CA -0.657 56.670 57.345 -0.031 0.000 1.290 196 W CB 0.218 29.649 29.460 -0.048 0.000 1.190 196 W HN 0.084 nan 8.180 nan 0.000 0.374 197 V N 6.537 126.621 119.914 0.283 0.000 2.311 197 V HA 0.229 4.389 4.120 0.066 0.000 0.275 197 V C 0.459 176.621 176.094 0.114 0.000 1.022 197 V CA -1.003 61.350 62.300 0.088 0.000 0.830 197 V CB 0.974 32.836 31.823 0.064 0.000 1.012 197 V HN 0.164 nan 8.190 nan 0.000 0.452 198 V N 5.643 125.527 119.914 -0.050 0.000 2.644 198 V HA -0.007 4.152 4.120 0.066 0.000 0.305 198 V C 1.276 177.401 176.094 0.051 0.000 1.053 198 V CA 0.988 63.294 62.300 0.009 0.000 1.186 198 V CB -0.578 31.167 31.823 -0.130 0.000 0.895 198 V HN 1.158 nan 8.190 nan 0.000 0.490 199 N N 1.796 120.553 118.700 0.095 0.000 2.800 199 N HA -0.222 4.557 4.740 0.066 0.000 0.250 199 N C 0.937 176.478 175.510 0.052 0.000 1.078 199 N CA 1.159 54.246 53.050 0.062 0.000 0.804 199 N CB -0.457 38.051 38.487 0.035 0.000 1.135 199 N HN 0.905 nan 8.380 nan 0.000 0.565 200 E N 0.001 120.245 120.200 0.073 0.000 3.249 200 E HA 0.241 4.630 4.350 0.066 0.000 0.184 200 E C 0.039 176.677 176.600 0.064 0.000 1.163 200 E CA 0.093 56.526 56.400 0.055 0.000 1.353 200 E CB 0.749 30.477 29.700 0.046 0.000 1.466 200 E HN 0.354 nan 8.360 nan 0.000 0.502 201 R N -0.226 120.334 120.500 0.100 0.000 2.712 201 R HA 0.465 4.845 4.340 0.066 0.000 0.272 201 R C -1.655 174.718 176.300 0.121 0.000 1.032 201 R CA -0.710 55.441 56.100 0.085 0.000 0.874 201 R CB 0.582 30.913 30.300 0.051 0.000 1.256 201 R HN 0.011 nan 8.270 nan 0.000 0.468 202 I N 1.962 122.571 120.570 0.065 0.000 2.418 202 I HA 0.374 4.583 4.170 0.066 0.000 0.287 202 I C -0.826 175.310 176.117 0.032 0.000 1.008 202 I CA -1.185 60.117 61.300 0.005 0.000 1.104 202 I CB 2.291 40.188 38.000 -0.172 0.000 1.264 202 I HN 0.310 nan 8.210 nan 0.000 0.438 203 V N 7.385 127.315 119.914 0.027 0.000 2.448 203 V HA 0.479 4.639 4.120 0.066 0.000 0.295 203 V C -0.071 176.030 176.094 0.012 0.000 1.025 203 V CA -0.548 61.762 62.300 0.016 0.000 0.859 203 V CB 1.787 33.623 31.823 0.021 0.000 0.988 203 V HN 0.467 nan 8.190 nan 0.000 0.431 204 L N 5.092 126.316 121.223 0.002 0.000 2.334 204 L HA 0.726 5.105 4.340 0.066 0.000 0.276 204 L C -0.012 176.919 176.870 0.101 0.000 1.014 204 L CA -0.538 54.318 54.840 0.026 0.000 0.815 204 L CB 1.968 44.007 42.059 -0.034 0.000 1.268 204 L HN 0.793 nan 8.230 nan 0.000 0.428 205 E N 2.397 122.703 120.200 0.177 0.000 2.288 205 E HA 0.407 4.797 4.350 0.066 0.000 0.268 205 E C -0.753 175.987 176.600 0.234 0.000 0.885 205 E CA -1.110 55.410 56.400 0.200 0.000 0.767 205 E CB 2.186 31.944 29.700 0.097 0.000 1.220 205 E HN 0.456 nan 8.360 nan 0.000 0.427 206 R N 1.753 122.343 120.500 0.151 0.000 2.538 206 R HA -0.117 4.263 4.340 0.066 0.000 0.273 206 R C -0.612 175.609 176.300 -0.132 0.000 0.967 206 R CA 0.248 56.246 56.100 -0.169 0.000 1.101 206 R CB 0.217 30.456 30.300 -0.101 0.000 0.908 206 R HN 0.598 nan 8.270 nan 0.000 0.411 207 N N 5.857 124.420 118.700 -0.228 0.000 2.462 207 N HA 0.185 4.964 4.740 0.066 0.000 0.242 207 N C -2.002 173.486 175.510 -0.037 0.000 1.010 207 N CA -2.381 50.617 53.050 -0.088 0.000 0.939 207 N CB 1.476 39.910 38.487 -0.088 0.000 1.127 207 N HN 0.379 nan 8.380 nan 0.000 0.509 208 P HA -0.067 nan 4.420 nan 0.000 0.230 208 P C 0.445 177.769 177.300 0.040 0.000 1.158 208 P CA 0.889 63.996 63.100 0.011 0.000 0.769 208 P CB 0.518 32.226 31.700 0.013 0.000 0.807 209 Q N -1.592 118.250 119.800 0.070 0.000 2.424 209 Q HA -0.017 4.363 4.340 0.066 0.000 0.204 209 Q C 0.491 176.566 176.000 0.125 0.000 0.933 209 Q CA -0.095 55.766 55.803 0.098 0.000 0.929 209 Q CB -0.679 28.134 28.738 0.126 0.000 1.037 209 Q HN 0.328 nan 8.270 nan 0.000 0.511 210 Y N 2.650 122.925 120.300 -0.041 0.000 2.810 210 Y HA -0.196 4.391 4.550 0.061 0.000 0.332 210 Y C 1.356 177.214 175.900 -0.069 0.000 1.243 210 Y CA -0.474 57.574 58.100 -0.086 0.000 1.537 210 Y CB 0.270 38.596 38.460 -0.224 0.000 1.265 210 Y HN 0.251 nan 8.280 nan 0.000 0.572 211 W N 4.199 125.190 121.300 -0.515 0.000 2.325 211 W HA -0.211 4.486 4.660 0.062 0.000 0.299 211 W C 0.278 176.492 176.519 -0.507 0.000 1.215 211 W CA 1.390 58.474 57.345 -0.436 0.000 1.244 211 W CB -0.374 28.876 29.460 -0.351 0.000 1.140 211 W HN 0.513 nan 8.180 nan 0.000 0.523 212 D N 0.838 120.103 120.400 -1.891 0.000 2.395 212 D HA -0.022 4.657 4.640 0.066 0.000 0.226 212 D C 1.457 177.421 176.300 -0.561 0.000 1.146 212 D CA 0.066 53.272 54.000 -1.324 0.000 0.830 212 D CB -0.672 39.022 40.800 -1.843 0.000 0.958 212 D HN 0.050 nan 8.370 nan 0.000 0.501 213 N N 0.387 118.893 118.700 -0.323 0.000 2.149 213 N HA -0.190 4.589 4.740 0.066 0.000 0.188 213 N C 1.665 177.129 175.510 -0.077 0.000 1.019 213 N CA 1.580 54.582 53.050 -0.081 0.000 0.857 213 N CB -0.004 38.458 38.487 -0.041 0.000 0.997 213 N HN 0.145 nan 8.380 nan 0.000 0.426 214 A N 0.263 123.030 122.820 -0.088 0.000 2.024 214 A HA -0.119 4.240 4.320 0.066 0.000 0.220 214 A C 1.869 179.425 177.584 -0.047 0.000 1.164 214 A CA 1.291 53.297 52.037 -0.052 0.000 0.643 214 A CB -0.282 18.694 19.000 -0.040 0.000 0.806 214 A HN 0.396 nan 8.150 nan 0.000 0.451 215 K N -0.419 119.941 120.400 -0.066 0.000 2.393 215 K HA 0.059 4.419 4.320 0.066 0.000 0.193 215 K C -0.146 176.450 176.600 -0.007 0.000 1.026 215 K CA 0.169 56.433 56.287 -0.038 0.000 1.064 215 K CB 0.074 32.542 32.500 -0.053 0.000 0.833 215 K HN 0.291 nan 8.250 nan 0.000 0.521 216 T N 1.105 115.650 114.554 -0.014 0.000 2.901 216 T HA 0.075 4.465 4.350 0.066 0.000 0.301 216 T C 1.292 176.016 174.700 0.039 0.000 1.012 216 T CA -0.142 61.963 62.100 0.010 0.000 1.135 216 T CB 1.747 70.571 68.868 -0.073 0.000 0.936 216 T HN -0.186 nan 8.240 nan 0.000 0.539 217 V N 2.828 122.801 119.914 0.098 0.000 3.013 217 V HA 0.173 4.333 4.120 0.066 0.000 0.238 217 V C 0.901 177.074 176.094 0.132 0.000 1.161 217 V CA 0.164 62.529 62.300 0.109 0.000 1.170 217 V CB 0.194 32.104 31.823 0.145 0.000 0.917 217 V HN 0.717 nan 8.190 nan 0.000 0.478 218 I N 2.700 123.380 120.570 0.184 0.000 2.533 218 I HA 0.087 4.297 4.170 0.066 0.000 0.284 218 I C 0.983 177.238 176.117 0.230 0.000 1.109 218 I CA 0.561 61.973 61.300 0.186 0.000 1.412 218 I CB 0.437 38.540 38.000 0.171 0.000 1.396 218 I HN 0.318 nan 8.210 nan 0.000 0.543 219 N N 4.416 123.210 118.700 0.155 0.000 2.415 219 N HA -0.022 4.758 4.740 0.066 0.000 0.176 219 N C 0.443 176.065 175.510 0.187 0.000 1.042 219 N CA 0.496 53.635 53.050 0.147 0.000 0.902 219 N CB 0.617 39.150 38.487 0.077 0.000 0.986 219 N HN 0.650 nan 8.380 nan 0.000 0.447 220 Q N 0.518 120.397 119.800 0.132 0.000 2.295 220 Q HA 0.398 4.778 4.340 0.066 0.000 0.268 220 Q C -2.125 173.843 176.000 -0.054 0.000 1.010 220 Q CA -0.415 55.424 55.803 0.060 0.000 0.856 220 Q CB 2.407 31.164 28.738 0.032 0.000 1.349 220 Q HN -0.107 nan 8.270 nan 0.000 0.412 221 V N 2.871 122.687 119.914 -0.164 0.000 2.656 221 V HA 0.729 4.889 4.120 0.066 0.000 0.307 221 V C -1.260 174.691 176.094 -0.238 0.000 1.051 221 V CA -0.036 62.096 62.300 -0.279 0.000 0.893 221 V CB 2.381 33.921 31.823 -0.471 0.000 0.999 221 V HN 0.887 nan 8.190 nan 0.000 0.426 222 T N 6.524 120.918 114.554 -0.265 0.000 2.797 222 T HA 0.596 4.986 4.350 0.066 0.000 0.279 222 T C -1.358 173.161 174.700 -0.301 0.000 0.991 222 T CA 0.057 62.054 62.100 -0.172 0.000 0.979 222 T CB 0.937 69.746 68.868 -0.099 0.000 0.943 222 T HN 0.560 nan 8.240 nan 0.000 0.444 223 Y N 2.519 122.751 120.300 -0.113 0.000 2.331 223 Y HA 0.560 5.148 4.550 0.063 0.000 0.338 223 Y C 0.171 176.017 175.900 -0.090 0.000 0.992 223 Y CA -0.930 57.100 58.100 -0.116 0.000 1.121 223 Y CB 0.916 39.283 38.460 -0.156 0.000 1.184 223 Y HN 0.396 nan 8.280 nan 0.000 0.469 224 L N 5.871 127.119 121.223 0.041 0.000 2.352 224 L HA 0.534 4.914 4.340 0.066 0.000 0.269 224 L C -1.994 174.867 176.870 -0.015 0.000 1.034 224 L CA -1.946 52.901 54.840 0.011 0.000 0.806 224 L CB 1.981 44.035 42.059 -0.009 0.000 1.244 224 L HN 0.425 nan 8.230 nan 0.000 0.447 225 P HA 0.276 nan 4.420 nan 0.000 0.263 225 P C -0.407 176.846 177.300 -0.078 0.000 1.821 225 P CA -0.075 62.989 63.100 -0.060 0.000 1.186 225 P CB 0.053 31.751 31.700 -0.002 0.000 1.623 226 I N 1.151 121.671 120.570 -0.083 0.000 2.379 226 I HA 0.048 4.257 4.170 0.066 0.000 0.290 226 I C 1.641 177.696 176.117 -0.104 0.000 1.063 226 I CA 0.109 61.369 61.300 -0.065 0.000 1.351 226 I CB 0.940 38.919 38.000 -0.034 0.000 1.410 226 I HN 0.012 nan 8.210 nan 0.000 0.505 227 S N 2.239 117.890 115.700 -0.083 0.000 2.503 227 S HA -0.004 4.506 4.470 0.066 0.000 0.217 227 S C 0.981 175.550 174.600 -0.051 0.000 0.999 227 S CA -0.343 57.801 58.200 -0.094 0.000 0.914 227 S CB 0.137 63.298 63.200 -0.064 0.000 0.782 227 S HN 0.595 nan 8.310 nan 0.000 0.520 228 S N 1.415 117.098 115.700 -0.029 0.000 2.422 228 S HA 0.237 4.746 4.470 0.066 0.000 0.283 228 S C 0.678 175.269 174.600 -0.016 0.000 1.163 228 S CA -0.516 57.675 58.200 -0.015 0.000 1.054 228 S CB 0.631 63.828 63.200 -0.003 0.000 0.967 228 S HN 0.357 nan 8.310 nan 0.000 0.499 229 E N 3.591 123.778 120.200 -0.021 0.000 2.153 229 E HA -0.087 4.302 4.350 0.066 0.000 0.194 229 E C 1.883 178.479 176.600 -0.007 0.000 0.988 229 E CA 1.046 57.438 56.400 -0.013 0.000 0.811 229 E CB -0.175 29.506 29.700 -0.031 0.000 0.746 229 E HN 0.575 nan 8.360 nan 0.000 0.466 230 V N 0.683 120.594 119.914 -0.005 0.000 2.295 230 V HA -0.279 3.881 4.120 0.066 0.000 0.246 230 V C 2.130 178.230 176.094 0.010 0.000 1.049 230 V CA 2.236 64.538 62.300 0.003 0.000 1.024 230 V CB -0.786 31.039 31.823 0.003 0.000 0.648 230 V HN 0.348 nan 8.190 nan 0.000 0.447 231 T N -0.516 114.043 114.554 0.008 0.000 2.746 231 T HA -0.227 4.162 4.350 0.066 0.000 0.267 231 T C 1.776 176.489 174.700 0.021 0.000 1.039 231 T CA 1.753 63.861 62.100 0.013 0.000 1.142 231 T CB -0.402 68.471 68.868 0.007 0.000 0.866 231 T HN 0.529 nan 8.240 nan 0.000 0.444 232 D N 0.956 121.366 120.400 0.016 0.000 2.092 232 D HA -0.094 4.586 4.640 0.066 0.000 0.193 232 D C 2.168 178.497 176.300 0.049 0.000 0.994 232 D CA 0.833 54.849 54.000 0.027 0.000 0.828 232 D CB -0.494 40.316 40.800 0.017 0.000 0.963 232 D HN 0.185 nan 8.370 nan 0.000 0.450 233 V N 1.146 121.075 119.914 0.024 0.000 2.332 233 V HA -0.251 3.909 4.120 0.066 0.000 0.248 233 V C 2.270 178.422 176.094 0.098 0.000 1.055 233 V CA 1.778 64.098 62.300 0.032 0.000 1.038 233 V CB -0.635 31.188 31.823 -0.000 0.000 0.651 233 V HN 0.244 nan 8.190 nan 0.000 0.450 234 N N 0.497 119.235 118.700 0.063 0.000 2.069 234 N HA -0.162 4.618 4.740 0.066 0.000 0.191 234 N C 1.949 177.501 175.510 0.070 0.000 1.031 234 N CA 1.522 54.607 53.050 0.059 0.000 0.852 234 N CB -0.388 38.120 38.487 0.035 0.000 1.018 234 N HN 0.478 nan 8.380 nan 0.000 0.423 235 R N -0.668 119.873 120.500 0.068 0.000 2.235 235 R HA -0.059 4.320 4.340 0.066 0.000 0.213 235 R C 1.861 178.208 176.300 0.079 0.000 1.059 235 R CA 0.405 56.539 56.100 0.057 0.000 0.997 235 R CB -0.231 30.093 30.300 0.040 0.000 0.884 235 R HN 0.373 nan 8.270 nan 0.000 0.462 236 Y N 1.469 121.758 120.300 -0.019 0.000 2.153 236 Y HA -0.127 4.461 4.550 0.064 0.000 0.289 236 Y C 2.035 177.924 175.900 -0.017 0.000 1.127 236 Y CA 1.389 59.470 58.100 -0.032 0.000 1.131 236 Y CB 0.106 38.531 38.460 -0.058 0.000 0.995 236 Y HN -0.197 nan 8.280 nan 0.000 0.505 237 R N -0.038 120.553 120.500 0.152 0.000 2.189 237 R HA -0.095 4.284 4.340 0.066 0.000 0.223 237 R C 2.421 178.717 176.300 -0.005 0.000 1.092 237 R CA 1.154 57.286 56.100 0.052 0.000 0.989 237 R CB -0.432 29.935 30.300 0.111 0.000 0.876 237 R HN 0.480 nan 8.270 nan 0.000 0.457 238 S N -0.855 114.848 115.700 0.005 0.000 2.489 238 S HA 0.035 4.545 4.470 0.066 0.000 0.228 238 S C 1.506 176.102 174.600 -0.007 0.000 0.995 238 S CA 0.872 59.074 58.200 0.003 0.000 0.934 238 S CB 0.456 63.663 63.200 0.011 0.000 0.771 238 S HN 0.491 nan 8.310 nan 0.000 0.522 239 G N 0.809 109.589 108.800 -0.034 0.000 2.218 239 G HA2 -0.257 3.743 3.960 0.066 0.000 0.216 239 G HA3 -0.257 3.743 3.960 0.066 0.000 0.216 239 G C 0.640 175.541 174.900 0.003 0.000 0.994 239 G CA 0.439 45.536 45.100 -0.005 0.000 0.637 239 G HN 0.517 nan 8.290 nan 0.000 0.505 240 E N -0.065 120.131 120.200 -0.007 0.000 2.072 240 E HA 0.102 4.491 4.350 0.066 0.000 0.190 240 E C 0.867 177.467 176.600 0.001 0.000 0.982 240 E CA 0.463 56.864 56.400 0.002 0.000 0.803 240 E CB -0.024 29.679 29.700 0.005 0.000 0.755 240 E HN 0.598 nan 8.360 nan 0.000 0.453 241 I N 1.771 122.339 120.570 -0.004 0.000 2.359 241 I HA 0.052 4.262 4.170 0.066 0.000 0.294 241 I C 0.387 176.492 176.117 -0.020 0.000 0.987 241 I CA -0.534 60.777 61.300 0.018 0.000 1.225 241 I CB 1.531 39.584 38.000 0.087 0.000 1.366 241 I HN -0.004 nan 8.210 nan 0.000 0.466 242 D N 5.504 125.896 120.400 -0.013 0.000 2.240 242 D HA 0.131 4.811 4.640 0.066 0.000 0.206 242 D C 0.262 176.568 176.300 0.011 0.000 0.963 242 D CA 1.338 55.299 54.000 -0.064 0.000 0.863 242 D CB 0.518 41.304 40.800 -0.022 0.000 0.973 242 D HN 0.418 nan 8.370 nan 0.000 0.501 243 M N 0.916 120.522 119.600 0.010 0.000 2.165 243 M HA 0.161 4.681 4.480 0.066 0.000 0.283 243 M C -0.153 176.109 176.300 -0.064 0.000 0.978 243 M CA -0.469 54.787 55.300 -0.073 0.000 0.948 243 M CB 2.557 35.022 32.600 -0.225 0.000 1.599 243 M HN -0.212 nan 8.290 nan 0.000 0.450 244 T N -0.581 113.892 114.554 -0.135 0.000 2.701 244 T HA 0.237 4.626 4.350 0.066 0.000 0.303 244 T C -0.226 174.439 174.700 -0.058 0.000 1.030 244 T CA -0.221 61.820 62.100 -0.099 0.000 1.010 244 T CB 0.869 69.615 68.868 -0.202 0.000 1.007 244 T HN 0.485 nan 8.240 nan 0.000 0.532 245 Y N 1.703 121.928 120.300 -0.124 0.000 2.299 245 Y HA 0.280 4.872 4.550 0.069 0.000 0.335 245 Y C 0.912 176.744 175.900 -0.113 0.000 1.287 245 Y CA -1.161 56.871 58.100 -0.113 0.000 1.424 245 Y CB 0.550 38.950 38.460 -0.100 0.000 1.326 245 Y HN 0.783 nan 8.280 nan 0.000 0.567 246 N N 2.721 120.902 118.700 -0.865 0.000 3.324 246 N HA 0.151 4.930 4.740 0.066 0.000 0.302 246 N C -1.762 173.526 175.510 -0.369 0.000 1.360 246 N CA -0.248 52.484 53.050 -0.528 0.000 1.190 246 N CB -0.662 37.542 38.487 -0.473 0.000 1.462 246 N HN 0.387 nan 8.380 nan 0.000 0.532 247 N N 0.969 119.573 118.700 -0.160 0.000 2.480 247 N HA 0.330 5.110 4.740 0.066 0.000 0.289 247 N C -0.908 174.573 175.510 -0.048 0.000 1.073 247 N CA -0.277 52.777 53.050 0.007 0.000 0.885 247 N CB 1.482 40.049 38.487 0.134 0.000 1.421 247 N HN 0.215 nan 8.380 nan 0.000 0.503 248 M N 2.429 121.960 119.600 -0.116 0.000 2.436 248 M HA 0.489 5.009 4.480 0.066 0.000 0.331 248 M C -2.333 173.895 176.300 -0.120 0.000 1.135 248 M CA -2.091 53.134 55.300 -0.126 0.000 0.987 248 M CB 1.804 34.259 32.600 -0.243 0.000 1.687 248 M HN 0.182 nan 8.290 nan 0.000 0.445 249 P HA 0.247 nan 4.420 nan 0.000 0.281 249 P C 0.610 177.901 177.300 -0.016 0.000 1.252 249 P CA -0.127 62.951 63.100 -0.037 0.000 0.778 249 P CB 0.988 32.683 31.700 -0.008 0.000 0.895 250 I N 1.896 122.439 120.570 -0.046 0.000 2.286 250 I HA -0.273 3.937 4.170 0.066 0.000 0.248 250 I C 2.048 178.171 176.117 0.010 0.000 1.115 250 I CA 1.608 62.890 61.300 -0.030 0.000 1.392 250 I CB -0.373 37.592 38.000 -0.059 0.000 1.065 250 I HN 0.351 nan 8.210 nan 0.000 0.418 251 E N 0.629 120.830 120.200 0.002 0.000 2.085 251 E HA -0.187 4.203 4.350 0.066 0.000 0.194 251 E C 1.972 178.584 176.600 0.021 0.000 0.994 251 E CA 1.344 57.748 56.400 0.008 0.000 0.801 251 E CB -0.037 29.664 29.700 0.002 0.000 0.743 251 E HN 0.473 nan 8.360 nan 0.000 0.453 252 L N -1.482 119.765 121.223 0.040 0.000 2.672 252 L HA 0.171 4.551 4.340 0.066 0.000 0.236 252 L C 1.647 178.549 176.870 0.053 0.000 1.092 252 L CA -0.273 54.588 54.840 0.036 0.000 0.887 252 L CB -0.010 42.066 42.059 0.028 0.000 1.168 252 L HN 0.076 nan 8.230 nan 0.000 0.502 253 F N 1.927 121.841 119.950 -0.061 0.000 2.065 253 F HA -0.286 4.279 4.527 0.063 0.000 0.298 253 F C 2.664 178.427 175.800 -0.061 0.000 1.112 253 F CA 1.820 59.779 58.000 -0.069 0.000 1.212 253 F CB -0.031 38.922 39.000 -0.078 0.000 0.975 253 F HN 0.068 nan 8.300 nan 0.000 0.476 254 Q N 0.696 120.465 119.800 -0.051 0.000 2.096 254 Q HA -0.224 4.155 4.340 0.066 0.000 0.204 254 Q C 2.178 178.064 176.000 -0.190 0.000 0.982 254 Q CA 1.950 57.663 55.803 -0.150 0.000 0.850 254 Q CB -0.703 28.015 28.738 -0.033 0.000 0.901 254 Q HN 0.460 nan 8.270 nan 0.000 0.422 255 K N 0.477 120.804 120.400 -0.122 0.000 2.032 255 K HA -0.089 4.271 4.320 0.066 0.000 0.209 255 K C 2.310 178.823 176.600 -0.144 0.000 1.048 255 K CA 1.025 57.251 56.287 -0.103 0.000 0.927 255 K CB -0.274 32.190 32.500 -0.059 0.000 0.712 255 K HN 0.101 nan 8.250 nan 0.000 0.441 256 L N 0.943 122.053 121.223 -0.189 0.000 2.042 256 L HA -0.213 4.166 4.340 0.066 0.000 0.210 256 L C 2.455 179.163 176.870 -0.269 0.000 1.076 256 L CA 1.042 55.758 54.840 -0.207 0.000 0.749 256 L CB -0.422 41.507 42.059 -0.217 0.000 0.893 256 L HN 0.099 nan 8.230 nan 0.000 0.432 257 K N 0.547 120.696 120.400 -0.419 0.000 2.147 257 K HA -0.150 4.209 4.320 0.066 0.000 0.205 257 K C 1.947 178.425 176.600 -0.203 0.000 1.049 257 K CA 1.478 57.551 56.287 -0.356 0.000 0.936 257 K CB 0.015 32.245 32.500 -0.451 0.000 0.722 257 K HN 0.069 nan 8.250 nan 0.000 0.446 258 K N 0.326 120.624 120.400 -0.170 0.000 2.262 258 K HA 0.033 4.392 4.320 0.066 0.000 0.200 258 K C 1.848 178.397 176.600 -0.085 0.000 1.049 258 K CA 0.897 57.119 56.287 -0.108 0.000 0.979 258 K CB 0.207 32.653 32.500 -0.089 0.000 0.773 258 K HN 0.359 nan 8.250 nan 0.000 0.474 259 E N 0.674 120.820 120.200 -0.090 0.000 2.086 259 E HA 0.034 4.424 4.350 0.066 0.000 0.190 259 E C 0.890 177.458 176.600 -0.052 0.000 0.975 259 E CA 0.682 57.046 56.400 -0.060 0.000 0.813 259 E CB 0.255 29.926 29.700 -0.048 0.000 0.768 259 E HN 0.291 nan 8.360 nan 0.000 0.457 260 I N -2.584 117.945 120.570 -0.069 0.000 2.948 260 I HA 0.267 4.477 4.170 0.066 0.000 0.308 260 I C -2.326 173.747 176.117 -0.074 0.000 1.478 260 I CA -1.717 59.552 61.300 -0.052 0.000 0.843 260 I CB 1.184 39.172 38.000 -0.021 0.000 2.100 260 I HN -0.219 nan 8.210 nan 0.000 0.625 261 P HA -0.210 nan 4.420 nan 0.000 0.216 261 P C 0.841 178.100 177.300 -0.068 0.000 1.154 261 P CA 1.674 64.723 63.100 -0.086 0.000 0.865 261 P CB 0.050 31.708 31.700 -0.069 0.000 0.789 262 N N -0.196 118.473 118.700 -0.052 0.000 2.453 262 N HA -0.094 4.686 4.740 0.066 0.000 0.183 262 N C 1.597 177.075 175.510 -0.053 0.000 1.041 262 N CA 0.861 53.884 53.050 -0.044 0.000 0.900 262 N CB -0.330 38.136 38.487 -0.035 0.000 0.961 262 N HN 0.443 nan 8.380 nan 0.000 0.443 263 E N -0.196 119.967 120.200 -0.061 0.000 2.400 263 E HA 0.089 4.479 4.350 0.066 0.000 0.195 263 E C -0.163 176.379 176.600 -0.096 0.000 1.012 263 E CA 0.010 56.370 56.400 -0.068 0.000 0.875 263 E CB 0.689 30.377 29.700 -0.020 0.000 0.859 263 E HN -0.027 nan 8.360 nan 0.000 0.498 264 V N 4.116 123.975 119.914 -0.092 0.000 2.370 264 V HA 0.077 4.237 4.120 0.066 0.000 0.257 264 V C 0.132 176.208 176.094 -0.030 0.000 1.064 264 V CA -0.061 62.191 62.300 -0.080 0.000 0.975 264 V CB -0.073 31.679 31.823 -0.118 0.000 1.067 264 V HN 0.119 nan 8.190 nan 0.000 0.485 265 R N 3.995 124.485 120.500 -0.016 0.000 2.297 265 R HA 0.618 4.998 4.340 0.066 0.000 0.308 265 R C -0.854 175.464 176.300 0.031 0.000 1.029 265 R CA -0.523 55.590 56.100 0.021 0.000 0.929 265 R CB 1.669 32.023 30.300 0.090 0.000 1.046 265 R HN 0.410 nan 8.270 nan 0.000 0.461 266 V N 3.990 123.919 119.914 0.025 0.000 2.488 266 V HA 0.321 4.480 4.120 0.066 0.000 0.293 266 V C -0.507 175.589 176.094 0.003 0.000 1.027 266 V CA -0.704 61.614 62.300 0.031 0.000 0.862 266 V CB 1.899 33.764 31.823 0.071 0.000 1.008 266 V HN 0.685 nan 8.190 nan 0.000 0.428 267 D N 4.496 124.890 120.400 -0.011 0.000 2.552 267 D HA 0.496 5.176 4.640 0.066 0.000 0.239 267 D C -2.843 173.469 176.300 0.020 0.000 1.139 267 D CA -1.439 52.546 54.000 -0.024 0.000 0.914 267 D CB 2.979 43.734 40.800 -0.075 0.000 1.461 267 D HN 0.191 nan 8.370 nan 0.000 0.462 268 P HA 0.086 nan 4.420 nan 0.000 0.269 268 P C -0.973 176.477 177.300 0.251 0.000 1.215 268 P CA 0.201 63.352 63.100 0.086 0.000 0.780 268 P CB 0.302 32.019 31.700 0.028 0.000 0.898 269 Y N 1.404 121.825 120.300 0.201 0.000 2.399 269 Y HA 0.310 4.901 4.550 0.069 0.000 0.327 269 Y C -1.097 174.958 175.900 0.259 0.000 1.111 269 Y CA -1.126 57.081 58.100 0.178 0.000 1.047 269 Y CB 1.116 39.661 38.460 0.141 0.000 1.259 269 Y HN 0.141 nan 8.280 nan 0.000 0.434 270 L N 6.177 127.489 121.223 0.150 0.000 2.423 270 L HA 0.348 4.728 4.340 0.066 0.000 0.249 270 L C -0.831 175.961 176.870 -0.130 0.000 1.276 270 L CA 0.189 54.981 54.840 -0.081 0.000 1.199 270 L CB -0.553 41.455 42.059 -0.084 0.000 1.407 270 L HN 0.552 nan 8.230 nan 0.000 0.410 271 c N -0.349 118.161 118.600 -0.151 0.000 2.797 271 c HA 0.682 5.292 4.570 0.066 0.000 0.306 271 c C 0.316 174.585 174.090 0.298 0.000 1.207 271 c CA -0.643 55.601 56.329 -0.142 0.000 1.507 271 c CB 2.258 44.190 42.510 -0.962 0.000 2.028 271 c HN 0.462 nan 8.230 nan 0.000 0.475 272 T N 1.253 116.075 114.554 0.446 0.000 2.848 272 T HA 0.425 4.815 4.350 0.066 0.000 0.285 272 T C -1.291 173.777 174.700 0.613 0.000 0.995 272 T CA -0.183 62.229 62.100 0.520 0.000 0.970 272 T CB 0.884 69.984 68.868 0.386 0.000 0.976 272 T HN 0.592 nan 8.240 nan 0.000 0.441 273 Y N 4.422 124.796 120.300 0.125 0.000 2.320 273 Y HA 0.591 5.180 4.550 0.065 0.000 0.334 273 Y C -0.659 175.175 175.900 -0.111 0.000 1.055 273 Y CA -0.597 57.384 58.100 -0.198 0.000 1.143 273 Y CB 0.581 38.271 38.460 -1.283 0.000 1.193 273 Y HN 0.776 nan 8.280 nan 0.000 0.477 274 Y N 2.107 122.281 120.300 -0.210 0.000 2.670 274 Y HA 0.547 5.136 4.550 0.065 0.000 0.334 274 Y C -2.303 173.363 175.900 -0.390 0.000 1.185 274 Y CA -2.009 56.005 58.100 -0.143 0.000 1.053 274 Y CB 0.951 39.407 38.460 -0.007 0.000 1.298 274 Y HN 0.419 nan 8.280 nan 0.000 0.459 275 Y N 1.356 121.756 120.300 0.167 0.000 2.353 275 Y HA 0.274 4.864 4.550 0.067 0.000 0.340 275 Y C 0.156 176.131 175.900 0.124 0.000 0.972 275 Y CA -0.686 57.468 58.100 0.090 0.000 1.157 275 Y CB 1.392 39.992 38.460 0.233 0.000 1.157 275 Y HN 0.619 nan 8.280 nan 0.000 0.495 276 E N 4.596 124.830 120.200 0.057 0.000 2.223 276 E HA 0.281 4.671 4.350 0.066 0.000 0.282 276 E C -0.941 175.771 176.600 0.186 0.000 1.046 276 E CA -0.259 56.220 56.400 0.132 0.000 0.857 276 E CB 0.515 30.209 29.700 -0.010 0.000 1.055 276 E HN 0.618 nan 8.360 nan 0.000 0.409 277 I N 4.267 124.886 120.570 0.082 0.000 2.396 277 I HA 0.067 4.276 4.170 0.066 0.000 0.292 277 I C 0.415 176.435 176.117 -0.162 0.000 0.999 277 I CA -0.698 60.541 61.300 -0.103 0.000 1.310 277 I CB 1.068 38.997 38.000 -0.117 0.000 1.404 277 I HN 0.505 nan 8.210 nan 0.000 0.496 278 N N 4.926 123.323 118.700 -0.505 0.000 2.421 278 N HA 0.045 4.825 4.740 0.066 0.000 0.260 278 N C 0.402 175.758 175.510 -0.258 0.000 1.173 278 N CA 0.207 52.880 53.050 -0.627 0.000 0.960 278 N CB 0.112 37.813 38.487 -1.309 0.000 1.273 278 N HN 0.430 nan 8.380 nan 0.000 0.497 279 N N 2.029 120.681 118.700 -0.079 0.000 2.520 279 N HA -0.071 4.709 4.740 0.066 0.000 0.185 279 N C 0.642 176.148 175.510 -0.008 0.000 1.068 279 N CA 0.880 53.933 53.050 0.006 0.000 0.911 279 N CB 0.194 38.732 38.487 0.085 0.000 0.961 279 N HN 0.652 nan 8.380 nan 0.000 0.446 280 Q N -0.629 119.135 119.800 -0.060 0.000 2.319 280 Q HA 0.139 4.519 4.340 0.066 0.000 0.202 280 Q C -0.034 175.917 176.000 -0.082 0.000 0.896 280 Q CA 0.247 56.009 55.803 -0.069 0.000 0.942 280 Q CB 0.611 29.287 28.738 -0.103 0.000 1.083 280 Q HN 0.114 nan 8.270 nan 0.000 0.510 281 K N 1.075 121.431 120.400 -0.073 0.000 2.307 281 K HA 0.494 4.854 4.320 0.066 0.000 0.263 281 K C -1.013 175.606 176.600 0.032 0.000 0.973 281 K CA -0.409 55.860 56.287 -0.030 0.000 0.846 281 K CB 1.281 33.747 32.500 -0.057 0.000 1.100 281 K HN 0.007 nan 8.250 nan 0.000 0.438 282 A N 4.872 127.668 122.820 -0.040 0.000 2.498 282 A HA 0.195 4.555 4.320 0.066 0.000 0.239 282 A C -1.672 175.787 177.584 -0.209 0.000 1.068 282 A CA -0.855 51.112 52.037 -0.116 0.000 0.766 282 A CB -0.043 18.907 19.000 -0.083 0.000 1.003 282 A HN 0.664 nan 8.150 nan 0.000 0.497 283 P HA 0.130 nan 4.420 nan 0.000 0.258 283 P C 0.142 177.094 177.300 -0.581 0.000 1.416 283 P CA 0.290 63.122 63.100 -0.447 0.000 0.927 283 P CB -0.090 31.401 31.700 -0.348 0.000 1.444 284 F N 1.521 121.379 119.950 -0.154 0.000 2.802 284 F HA -0.011 4.556 4.527 0.067 0.000 0.300 284 F C 1.827 177.549 175.800 -0.130 0.000 1.168 284 F CA 0.287 58.172 58.000 -0.191 0.000 1.433 284 F CB -0.886 37.958 39.000 -0.260 0.000 1.115 284 F HN 0.036 nan 8.300 nan 0.000 0.582 285 N N -0.796 117.892 118.700 -0.019 0.000 2.461 285 N HA -0.091 4.689 4.740 0.066 0.000 0.188 285 N C -0.187 175.307 175.510 -0.026 0.000 1.134 285 N CA 0.322 53.363 53.050 -0.014 0.000 0.878 285 N CB -0.422 38.049 38.487 -0.027 0.000 0.972 285 N HN 0.114 nan 8.380 nan 0.000 0.456 286 D N 0.580 120.950 120.400 -0.050 0.000 2.313 286 D HA 0.043 4.723 4.640 0.066 0.000 0.239 286 D C 0.904 177.187 176.300 -0.028 0.000 1.142 286 D CA -0.458 53.518 54.000 -0.040 0.000 0.847 286 D CB 2.035 42.807 40.800 -0.048 0.000 1.082 286 D HN -0.162 nan 8.370 nan 0.000 0.480 287 V N 5.813 125.721 119.914 -0.010 0.000 2.568 287 V HA -0.230 3.929 4.120 0.066 0.000 0.253 287 V C 2.122 178.204 176.094 -0.019 0.000 1.072 287 V CA 1.782 64.079 62.300 -0.005 0.000 1.084 287 V CB -0.208 31.623 31.823 0.013 0.000 0.676 287 V HN 0.530 nan 8.190 nan 0.000 0.469 288 R N -0.749 119.742 120.500 -0.016 0.000 2.081 288 R HA -0.110 4.270 4.340 0.066 0.000 0.235 288 R C 2.156 178.430 176.300 -0.044 0.000 1.131 288 R CA 1.628 57.719 56.100 -0.015 0.000 0.960 288 R CB -0.631 29.672 30.300 0.006 0.000 0.856 288 R HN 0.486 nan 8.270 nan 0.000 0.436 289 V N 1.378 121.254 119.914 -0.064 0.000 2.307 289 V HA -0.241 3.919 4.120 0.066 0.000 0.245 289 V C 2.330 178.338 176.094 -0.144 0.000 1.045 289 V CA 1.786 64.001 62.300 -0.141 0.000 1.024 289 V CB -0.510 31.190 31.823 -0.206 0.000 0.651 289 V HN 0.316 nan 8.190 nan 0.000 0.449 290 R N -0.018 120.429 120.500 -0.088 0.000 2.081 290 R HA -0.139 4.241 4.340 0.066 0.000 0.235 290 R C 2.339 178.583 176.300 -0.094 0.000 1.131 290 R CA 1.919 57.975 56.100 -0.073 0.000 0.960 290 R CB -1.012 29.268 30.300 -0.034 0.000 0.856 290 R HN 0.481 nan 8.270 nan 0.000 0.436 291 T N 1.239 115.739 114.554 -0.090 0.000 2.788 291 T HA -0.128 4.262 4.350 0.066 0.000 0.268 291 T C 2.027 176.652 174.700 -0.125 0.000 1.044 291 T CA 1.390 63.419 62.100 -0.118 0.000 1.139 291 T CB -0.230 68.590 68.868 -0.081 0.000 0.867 291 T HN 0.405 nan 8.240 nan 0.000 0.454 292 A N 1.348 124.105 122.820 -0.106 0.000 1.877 292 A HA 0.004 4.364 4.320 0.066 0.000 0.216 292 A C 2.312 179.819 177.584 -0.128 0.000 1.186 292 A CA 1.205 53.181 52.037 -0.102 0.000 0.620 292 A CB -0.866 18.058 19.000 -0.126 0.000 0.822 292 A HN 0.469 nan 8.150 nan 0.000 0.443 293 L N -0.660 120.431 121.223 -0.219 0.000 2.046 293 L HA -0.212 4.168 4.340 0.066 0.000 0.208 293 L C 2.669 179.630 176.870 0.152 0.000 1.077 293 L CA 1.968 56.639 54.840 -0.282 0.000 0.747 293 L CB -0.436 41.347 42.059 -0.461 0.000 0.896 293 L HN 0.498 nan 8.230 nan 0.000 0.432 294 K N 0.689 121.107 120.400 0.030 0.000 2.026 294 K HA -0.181 4.179 4.320 0.066 0.000 0.208 294 K C 2.127 178.671 176.600 -0.092 0.000 1.048 294 K CA 1.390 57.671 56.287 -0.009 0.000 0.929 294 K CB -0.066 32.311 32.500 -0.205 0.000 0.713 294 K HN 0.233 nan 8.250 nan 0.000 0.439 295 L N 0.208 121.328 121.223 -0.172 0.000 2.109 295 L HA -0.062 4.318 4.340 0.066 0.000 0.207 295 L C 2.538 179.463 176.870 0.092 0.000 1.086 295 L CA 0.963 55.726 54.840 -0.128 0.000 0.760 295 L CB -0.391 41.613 42.059 -0.091 0.000 0.910 295 L HN 0.268 nan 8.230 nan 0.000 0.437 296 A N -0.170 122.754 122.820 0.173 0.000 2.066 296 A HA -0.021 4.339 4.320 0.066 0.000 0.218 296 A C 1.262 179.039 177.584 0.322 0.000 1.157 296 A CA 0.117 52.310 52.037 0.260 0.000 0.670 296 A CB -0.370 18.793 19.000 0.272 0.000 0.804 296 A HN 0.301 nan 8.150 nan 0.000 0.453 297 L N 0.801 122.253 121.223 0.380 0.000 2.455 297 L HA 0.102 4.482 4.340 0.066 0.000 0.272 297 L C -0.557 176.380 176.870 0.111 0.000 1.174 297 L CA -0.270 54.638 54.840 0.114 0.000 0.869 297 L CB 0.488 42.601 42.059 0.089 0.000 1.130 297 L HN 0.149 nan 8.230 nan 0.000 0.474 298 D N 4.620 125.050 120.400 0.049 0.000 2.467 298 D HA 0.158 4.837 4.640 0.066 0.000 0.220 298 D C 1.053 177.392 176.300 0.065 0.000 1.103 298 D CA -0.274 53.770 54.000 0.073 0.000 0.886 298 D CB 0.845 41.673 40.800 0.046 0.000 1.025 298 D HN 0.538 nan 8.370 nan 0.000 0.514 299 R N 2.175 122.749 120.500 0.123 0.000 2.127 299 R HA -0.138 4.242 4.340 0.066 0.000 0.238 299 R C 1.456 177.799 176.300 0.071 0.000 1.134 299 R CA 1.469 57.644 56.100 0.126 0.000 0.975 299 R CB -0.007 30.430 30.300 0.229 0.000 0.865 299 R HN 0.414 nan 8.270 nan 0.000 0.447 300 D N 0.526 120.955 120.400 0.050 0.000 2.117 300 D HA -0.134 4.546 4.640 0.066 0.000 0.197 300 D C 1.680 177.980 176.300 -0.000 0.000 0.987 300 D CA 1.134 55.144 54.000 0.017 0.000 0.829 300 D CB 0.083 40.886 40.800 0.004 0.000 0.961 300 D HN 0.153 nan 8.370 nan 0.000 0.460 301 I N 0.115 120.685 120.570 -0.000 0.000 2.202 301 I HA -0.216 3.994 4.170 0.066 0.000 0.242 301 I C 2.305 178.400 176.117 -0.037 0.000 1.091 301 I CA 0.745 62.033 61.300 -0.018 0.000 1.368 301 I CB -0.232 37.757 38.000 -0.018 0.000 1.058 301 I HN 0.150 nan 8.210 nan 0.000 0.410 302 I N 0.034 120.584 120.570 -0.035 0.000 2.142 302 I HA -0.280 3.930 4.170 0.066 0.000 0.240 302 I C 2.516 178.579 176.117 -0.091 0.000 1.078 302 I CA 1.432 62.699 61.300 -0.055 0.000 1.343 302 I CB -0.329 37.658 38.000 -0.022 0.000 1.046 302 I HN 0.015 nan 8.210 nan 0.000 0.405 303 V N 1.142 121.014 119.914 -0.071 0.000 2.270 303 V HA -0.264 3.896 4.120 0.066 0.000 0.245 303 V C 1.736 177.749 176.094 -0.136 0.000 1.043 303 V CA 2.542 64.754 62.300 -0.146 0.000 1.014 303 V CB -0.885 30.892 31.823 -0.076 0.000 0.645 303 V HN 0.487 nan 8.190 nan 0.000 0.447 304 N N -0.854 117.803 118.700 -0.073 0.000 2.409 304 N HA 0.008 4.788 4.740 0.066 0.000 0.174 304 N C 1.718 177.197 175.510 -0.051 0.000 1.037 304 N CA 0.390 53.405 53.050 -0.058 0.000 0.898 304 N CB 0.126 38.595 38.487 -0.030 0.000 1.010 304 N HN 0.439 nan 8.380 nan 0.000 0.445 305 K N 0.562 120.933 120.400 -0.049 0.000 2.108 305 K HA 0.068 4.427 4.320 0.066 0.000 0.204 305 K C 2.167 178.735 176.600 -0.052 0.000 1.036 305 K CA 0.828 57.090 56.287 -0.041 0.000 0.965 305 K CB -0.274 32.208 32.500 -0.031 0.000 0.804 305 K HN 0.022 nan 8.250 nan 0.000 0.454 306 V N 1.034 120.908 119.914 -0.067 0.000 2.407 306 V HA -0.086 4.074 4.120 0.066 0.000 0.245 306 V C 2.042 178.077 176.094 -0.098 0.000 1.041 306 V CA 1.625 63.880 62.300 -0.074 0.000 1.040 306 V CB -0.035 31.744 31.823 -0.074 0.000 0.671 306 V HN 0.213 nan 8.190 nan 0.000 0.455 307 K N 0.215 120.529 120.400 -0.143 0.000 2.121 307 K HA 0.048 4.408 4.320 0.066 0.000 0.203 307 K C 1.082 177.575 176.600 -0.177 0.000 1.041 307 K CA 0.672 56.837 56.287 -0.203 0.000 0.969 307 K CB -0.116 32.184 32.500 -0.334 0.000 0.799 307 K HN 0.583 nan 8.250 nan 0.000 0.456 308 N N 1.569 120.172 118.700 -0.162 0.000 2.678 308 N HA -0.214 4.566 4.740 0.066 0.000 0.268 308 N C -0.699 174.775 175.510 -0.061 0.000 1.010 308 N CA 0.521 53.514 53.050 -0.096 0.000 0.784 308 N CB -0.421 38.048 38.487 -0.030 0.000 0.905 308 N HN 0.475 nan 8.380 nan 0.000 0.552 309 Q N -0.558 119.126 119.800 -0.195 0.000 2.139 309 Q HA 0.235 4.615 4.340 0.066 0.000 0.219 309 Q C 1.281 177.205 176.000 -0.127 0.000 0.805 309 Q CA 0.430 56.085 55.803 -0.246 0.000 1.024 309 Q CB 0.835 29.126 28.738 -0.745 0.000 1.163 309 Q HN 0.621 nan 8.270 nan 0.000 0.485 310 G N 0.977 109.717 108.800 -0.099 0.000 2.179 310 G HA2 -0.170 3.830 3.960 0.066 0.000 0.220 310 G HA3 -0.170 3.830 3.960 0.066 0.000 0.220 310 G C -0.213 174.639 174.900 -0.081 0.000 0.990 310 G CA -0.280 44.787 45.100 -0.054 0.000 0.646 310 G HN 0.297 nan 8.290 nan 0.000 0.517 311 D N 0.069 120.352 120.400 -0.193 0.000 2.361 311 D HA 0.444 5.123 4.640 0.066 0.000 0.239 311 D C 0.195 176.465 176.300 -0.049 0.000 1.200 311 D CA 0.251 54.141 54.000 -0.182 0.000 0.915 311 D CB 1.355 41.758 40.800 -0.661 0.000 1.170 311 D HN 0.091 nan 8.370 nan 0.000 0.444 312 L N 1.860 123.149 121.223 0.109 0.000 2.341 312 L HA 0.304 4.684 4.340 0.066 0.000 0.278 312 L C -2.305 174.662 176.870 0.163 0.000 1.005 312 L CA -1.884 53.067 54.840 0.185 0.000 0.818 312 L CB 1.501 43.758 42.059 0.329 0.000 1.259 312 L HN 0.062 nan 8.230 nan 0.000 0.418 313 P HA 0.102 nan 4.420 nan 0.000 0.262 313 P C -1.027 176.307 177.300 0.058 0.000 1.182 313 P CA -0.019 63.218 63.100 0.228 0.000 0.761 313 P CB 0.500 32.447 31.700 0.411 0.000 0.795 314 A N 3.485 126.173 122.820 -0.220 0.000 2.324 314 A HA 0.568 4.928 4.320 0.066 0.000 0.330 314 A C -0.347 177.064 177.584 -0.289 0.000 1.165 314 A CA -0.428 51.164 52.037 -0.741 0.000 0.813 314 A CB 0.407 18.793 19.000 -1.023 0.000 1.197 314 A HN 0.681 nan 8.150 nan 0.000 0.484 315 Y N 0.200 120.297 120.300 -0.339 0.000 2.672 315 Y HA 0.475 5.065 4.550 0.067 0.000 0.252 315 Y C 0.259 176.126 175.900 -0.056 0.000 1.132 315 Y CA -0.177 57.727 58.100 -0.326 0.000 1.228 315 Y CB -0.441 37.318 38.460 -1.169 0.000 1.310 315 Y HN 0.652 nan 8.280 nan 0.000 0.549 316 S N -1.784 113.774 115.700 -0.237 0.000 2.720 316 S HA 0.358 4.868 4.470 0.066 0.000 0.287 316 S C -0.306 174.301 174.600 0.011 0.000 1.168 316 S CA -0.493 57.670 58.200 -0.061 0.000 0.832 316 S CB 1.384 64.483 63.200 -0.169 0.000 1.166 316 S HN 0.111 nan 8.310 nan 0.000 0.493 317 Y N 1.789 121.990 120.300 -0.164 0.000 2.190 317 Y HA 0.307 4.898 4.550 0.069 0.000 0.290 317 Y C 1.139 176.840 175.900 -0.331 0.000 1.115 317 Y CA 1.111 59.088 58.100 -0.204 0.000 1.107 317 Y CB -0.858 37.473 38.460 -0.215 0.000 1.033 317 Y HN 0.706 nan 8.280 nan 0.000 0.502 318 T N 5.300 119.563 114.554 -0.485 0.000 2.867 318 T HA 0.126 4.515 4.350 0.066 0.000 0.297 318 T C -2.583 171.561 174.700 -0.927 0.000 0.989 318 T CA -0.813 60.668 62.100 -1.033 0.000 1.159 318 T CB 0.664 69.172 68.868 -0.600 0.000 0.928 318 T HN 0.092 nan 8.240 nan 0.000 0.538 319 P HA 0.126 nan 4.420 nan 0.000 0.268 319 P C -1.716 174.957 177.300 -1.044 0.000 1.204 319 P CA -1.493 60.865 63.100 -1.238 0.000 0.768 319 P CB 0.243 31.105 31.700 -1.397 0.000 0.842 320 P HA -0.130 nan 4.420 nan 0.000 0.225 320 P C 0.500 177.669 177.300 -0.217 0.000 1.148 320 P CA 1.489 64.346 63.100 -0.405 0.000 0.779 320 P CB -0.363 31.203 31.700 -0.223 0.000 0.780 321 Y N -2.570 117.544 120.300 -0.310 0.000 2.493 321 Y HA 0.393 4.981 4.550 0.063 0.000 0.275 321 Y C 0.522 176.323 175.900 -0.166 0.000 1.183 321 Y CA -0.859 57.129 58.100 -0.186 0.000 1.258 321 Y CB -1.332 37.040 38.460 -0.146 0.000 1.108 321 Y HN -0.329 nan 8.280 nan 0.000 0.521 322 T N 2.219 116.521 114.554 -0.420 0.000 2.930 322 T HA -0.098 4.292 4.350 0.066 0.000 0.306 322 T C -0.097 174.507 174.700 -0.161 0.000 1.045 322 T CA -0.181 61.721 62.100 -0.329 0.000 1.134 322 T CB 0.316 68.917 68.868 -0.446 0.000 0.961 322 T HN 0.285 nan 8.240 nan 0.000 0.545 323 D N 1.298 121.641 120.400 -0.095 0.000 2.426 323 D HA 0.187 4.866 4.640 0.066 0.000 0.261 323 D C 1.271 177.544 176.300 -0.045 0.000 1.245 323 D CA 1.421 55.401 54.000 -0.034 0.000 0.917 323 D CB -0.188 40.615 40.800 0.005 0.000 1.123 323 D HN 0.872 nan 8.370 nan 0.000 0.508 324 G N 2.487 111.282 108.800 -0.009 0.000 2.184 324 G HA2 -0.106 3.894 3.960 0.066 0.000 0.206 324 G HA3 -0.106 3.894 3.960 0.066 0.000 0.206 324 G C 0.301 175.232 174.900 0.050 0.000 0.995 324 G CA 0.146 45.269 45.100 0.039 0.000 0.651 324 G HN 0.889 nan 8.290 nan 0.000 0.511 325 A N 0.336 123.135 122.820 -0.035 0.000 2.320 325 A HA 0.745 5.104 4.320 0.066 0.000 0.287 325 A C 0.380 177.954 177.584 -0.017 0.000 1.181 325 A CA 0.070 52.076 52.037 -0.052 0.000 0.831 325 A CB 0.492 19.383 19.000 -0.182 0.000 1.102 325 A HN 0.307 nan 8.150 nan 0.000 0.513 326 K N 3.503 123.912 120.400 0.014 0.000 3.029 326 K HA 0.332 4.691 4.320 0.066 0.000 0.169 326 K C -1.090 175.522 176.600 0.021 0.000 1.090 326 K CA -0.004 56.292 56.287 0.015 0.000 0.883 326 K CB 0.717 33.228 32.500 0.019 0.000 1.080 326 K HN 0.703 nan 8.250 nan 0.000 0.613 327 L N 0.948 122.184 121.223 0.023 0.000 2.399 327 L HA 0.401 4.781 4.340 0.066 0.000 0.266 327 L C 0.268 177.160 176.870 0.037 0.000 1.114 327 L CA -1.164 53.706 54.840 0.050 0.000 0.804 327 L CB 1.122 43.233 42.059 0.086 0.000 1.146 327 L HN -0.032 nan 8.230 nan 0.000 0.451 328 V N 1.545 121.468 119.914 0.014 0.000 2.364 328 V HA 0.094 4.253 4.120 0.066 0.000 0.272 328 V C 0.361 176.349 176.094 -0.178 0.000 1.036 328 V CA -0.496 61.768 62.300 -0.060 0.000 0.880 328 V CB 1.157 32.957 31.823 -0.038 0.000 0.991 328 V HN 0.735 nan 8.190 nan 0.000 0.460 329 E N 8.238 128.208 120.200 -0.384 0.000 2.265 329 E HA 0.172 4.562 4.350 0.066 0.000 0.272 329 E C -2.123 174.153 176.600 -0.540 0.000 1.067 329 E CA -1.412 54.481 56.400 -0.845 0.000 0.900 329 E CB 0.881 30.092 29.700 -0.815 0.000 1.017 329 E HN 0.467 nan 8.360 nan 0.000 0.431 330 P HA -0.000 nan 4.420 nan 0.000 0.272 330 P C 0.184 177.174 177.300 -0.517 0.000 1.230 330 P CA -0.123 62.695 63.100 -0.471 0.000 0.788 330 P CB 0.852 32.231 31.700 -0.534 0.000 0.949 331 E N 1.214 121.220 120.200 -0.323 0.000 2.110 331 E HA -0.136 4.253 4.350 0.066 0.000 0.193 331 E C 1.910 178.107 176.600 -0.673 0.000 0.988 331 E CA 1.284 57.521 56.400 -0.272 0.000 0.804 331 E CB -0.514 29.186 29.700 0.000 0.000 0.745 331 E HN 0.711 nan 8.360 nan 0.000 0.458 332 W N -0.013 120.720 121.300 -0.946 0.000 2.350 332 W HA -0.185 4.515 4.660 0.066 0.000 0.289 332 W C 1.691 177.845 176.519 -0.607 0.000 1.215 332 W CA 0.344 56.800 57.345 -1.482 0.000 1.236 332 W CB -1.171 27.690 29.460 -0.999 0.000 1.130 332 W HN -0.051 nan 8.180 nan 0.000 0.541 333 F N 2.809 122.201 119.950 -0.930 0.000 2.293 333 F HA -0.016 4.551 4.527 0.066 0.000 0.300 333 F C 2.178 177.829 175.800 -0.248 0.000 1.086 333 F CA 1.618 59.225 58.000 -0.656 0.000 1.375 333 F CB -0.243 38.180 39.000 -0.962 0.000 1.045 333 F HN -0.226 nan 8.300 nan 0.000 0.516 334 K N -0.997 119.263 120.400 -0.233 0.000 2.361 334 K HA -0.051 4.309 4.320 0.066 0.000 0.196 334 K C 0.332 176.985 176.600 0.088 0.000 1.039 334 K CA -0.085 56.136 56.287 -0.110 0.000 1.001 334 K CB -0.101 32.382 32.500 -0.029 0.000 0.795 334 K HN 0.064 nan 8.250 nan 0.000 0.495 335 W N 2.296 123.606 121.300 0.017 0.000 1.900 335 W HA 0.030 4.731 4.660 0.067 0.000 0.357 335 W C 1.202 177.733 176.519 0.020 0.000 1.390 335 W CA -1.200 56.173 57.345 0.046 0.000 1.428 335 W CB -0.547 28.979 29.460 0.110 0.000 1.295 335 W HN -0.075 nan 8.180 nan 0.000 0.666 336 S N -0.088 115.786 115.700 0.290 0.000 2.617 336 S HA 0.096 4.605 4.470 0.066 0.000 0.269 336 S C 0.737 175.454 174.600 0.195 0.000 1.292 336 S CA -0.430 57.866 58.200 0.159 0.000 1.010 336 S CB 1.522 64.777 63.200 0.092 0.000 0.944 336 S HN 0.393 nan 8.310 nan 0.000 0.536 337 Q N 0.529 120.410 119.800 0.136 0.000 2.167 337 Q HA -0.148 4.231 4.340 0.066 0.000 0.202 337 Q C 2.197 178.281 176.000 0.140 0.000 0.970 337 Q CA 1.899 57.790 55.803 0.148 0.000 0.855 337 Q CB -0.493 28.307 28.738 0.102 0.000 0.911 337 Q HN 0.885 nan 8.270 nan 0.000 0.438 338 Q N 0.142 120.003 119.800 0.100 0.000 2.061 338 Q HA -0.267 4.112 4.340 0.066 0.000 0.204 338 Q C 1.970 178.015 176.000 0.074 0.000 0.984 338 Q CA 2.041 57.888 55.803 0.073 0.000 0.846 338 Q CB -0.177 28.586 28.738 0.042 0.000 0.902 338 Q HN 0.395 nan 8.270 nan 0.000 0.421 339 K N -0.009 120.437 120.400 0.077 0.000 2.057 339 K HA -0.156 4.204 4.320 0.066 0.000 0.207 339 K C 2.172 178.871 176.600 0.165 0.000 1.049 339 K CA 1.144 57.442 56.287 0.019 0.000 0.931 339 K CB -0.019 32.414 32.500 -0.112 0.000 0.714 339 K HN 0.137 nan 8.250 nan 0.000 0.440 340 R N 0.356 121.077 120.500 0.369 0.000 2.081 340 R HA -0.087 4.293 4.340 0.066 0.000 0.235 340 R C 2.116 178.552 176.300 0.226 0.000 1.131 340 R CA 1.617 57.968 56.100 0.418 0.000 0.960 340 R CB -0.350 30.167 30.300 0.362 0.000 0.856 340 R HN 0.293 nan 8.270 nan 0.000 0.436 341 N N 0.611 119.409 118.700 0.164 0.000 2.069 341 N HA -0.167 4.613 4.740 0.066 0.000 0.191 341 N C 1.643 177.205 175.510 0.087 0.000 1.031 341 N CA 1.141 54.261 53.050 0.116 0.000 0.852 341 N CB -0.251 38.294 38.487 0.097 0.000 1.018 341 N HN 0.162 nan 8.380 nan 0.000 0.423 342 E N 0.912 121.153 120.200 0.068 0.000 2.051 342 E HA -0.189 4.201 4.350 0.066 0.000 0.192 342 E C 1.880 178.507 176.600 0.046 0.000 0.991 342 E CA 0.839 57.262 56.400 0.038 0.000 0.799 342 E CB -0.306 29.397 29.700 0.004 0.000 0.748 342 E HN 0.412 nan 8.360 nan 0.000 0.449 343 E N 0.850 121.092 120.200 0.071 0.000 2.085 343 E HA -0.164 4.225 4.350 0.066 0.000 0.194 343 E C 1.843 178.493 176.600 0.082 0.000 0.994 343 E CA 1.619 58.076 56.400 0.096 0.000 0.801 343 E CB -0.311 29.516 29.700 0.212 0.000 0.743 343 E HN 0.188 nan 8.360 nan 0.000 0.453 344 A N 0.893 123.762 122.820 0.082 0.000 1.858 344 A HA -0.239 4.121 4.320 0.066 0.000 0.216 344 A C 2.126 179.724 177.584 0.023 0.000 1.190 344 A CA 2.056 54.117 52.037 0.040 0.000 0.617 344 A CB -0.569 18.458 19.000 0.045 0.000 0.827 344 A HN 0.256 nan 8.150 nan 0.000 0.443 345 K N -0.390 120.030 120.400 0.034 0.000 2.063 345 K HA -0.208 4.152 4.320 0.066 0.000 0.208 345 K C 2.242 178.861 176.600 0.031 0.000 1.048 345 K CA 1.741 58.045 56.287 0.029 0.000 0.928 345 K CB -0.205 32.315 32.500 0.033 0.000 0.713 345 K HN 0.525 nan 8.250 nan 0.000 0.442 346 K N 1.343 121.762 120.400 0.032 0.000 2.032 346 K HA -0.162 4.197 4.320 0.066 0.000 0.209 346 K C 2.086 178.706 176.600 0.033 0.000 1.048 346 K CA 1.280 57.585 56.287 0.030 0.000 0.927 346 K CB -0.098 32.419 32.500 0.028 0.000 0.712 346 K HN 0.052 nan 8.250 nan 0.000 0.441 347 L N 0.805 122.047 121.223 0.033 0.000 2.093 347 L HA -0.174 4.205 4.340 0.066 0.000 0.208 347 L C 2.403 179.299 176.870 0.042 0.000 1.085 347 L CA 0.869 55.726 54.840 0.029 0.000 0.755 347 L CB -0.283 41.786 42.059 0.016 0.000 0.904 347 L HN 0.252 nan 8.230 nan 0.000 0.435 348 L N -0.694 120.556 121.223 0.044 0.000 2.109 348 L HA -0.146 4.233 4.340 0.066 0.000 0.207 348 L C 2.856 179.824 176.870 0.163 0.000 1.086 348 L CA 1.069 55.974 54.840 0.109 0.000 0.760 348 L CB -0.692 41.387 42.059 0.033 0.000 0.910 348 L HN 0.257 nan 8.230 nan 0.000 0.437 349 A N 0.080 122.954 122.820 0.089 0.000 1.902 349 A HA -0.232 4.128 4.320 0.066 0.000 0.217 349 A C 2.102 179.708 177.584 0.037 0.000 1.181 349 A CA 1.615 53.691 52.037 0.064 0.000 0.623 349 A CB -0.436 18.588 19.000 0.039 0.000 0.818 349 A HN 0.420 nan 8.150 nan 0.000 0.443 350 E N -0.372 119.848 120.200 0.033 0.000 2.118 350 E HA -0.128 4.261 4.350 0.066 0.000 0.195 350 E C 2.011 178.614 176.600 0.004 0.000 0.992 350 E CA 0.981 57.389 56.400 0.014 0.000 0.804 350 E CB -0.258 29.453 29.700 0.017 0.000 0.741 350 E HN 0.613 nan 8.360 nan 0.000 0.458 351 A N -0.085 122.760 122.820 0.042 0.000 2.239 351 A HA 0.173 4.533 4.320 0.066 0.000 0.209 351 A C 1.641 179.143 177.584 -0.137 0.000 1.171 351 A CA 0.974 53.026 52.037 0.025 0.000 0.768 351 A CB -0.280 18.821 19.000 0.168 0.000 0.790 351 A HN 0.370 nan 8.150 nan 0.000 0.478 352 G N -2.463 106.241 108.800 -0.160 0.000 2.163 352 G HA2 -0.200 3.800 3.960 0.066 0.000 0.213 352 G HA3 -0.200 3.800 3.960 0.066 0.000 0.213 352 G C -0.083 174.542 174.900 -0.459 0.000 0.991 352 G CA -0.111 44.797 45.100 -0.320 0.000 0.653 352 G HN 0.310 nan 8.290 nan 0.000 0.518 353 F N 1.844 121.767 119.950 -0.044 0.000 2.385 353 F HA 0.668 5.235 4.527 0.066 0.000 0.336 353 F C 1.085 176.869 175.800 -0.026 0.000 1.100 353 F CA 0.505 58.482 58.000 -0.038 0.000 1.116 353 F CB 1.887 40.861 39.000 -0.043 0.000 1.166 353 F HN 0.226 nan 8.300 nan 0.000 0.511 354 T N -1.263 113.379 114.554 0.147 0.000 2.838 354 T HA 0.633 5.023 4.350 0.066 0.000 0.292 354 T C 0.681 175.427 174.700 0.078 0.000 1.113 354 T CA -0.388 61.759 62.100 0.079 0.000 1.008 354 T CB 1.458 70.343 68.868 0.028 0.000 1.259 354 T HN 0.572 nan 8.240 nan 0.000 0.520 355 A N 0.389 123.238 122.820 0.049 0.000 1.908 355 A HA -0.084 4.275 4.320 0.066 0.000 0.218 355 A C 1.909 179.515 177.584 0.038 0.000 1.181 355 A CA 2.404 54.465 52.037 0.040 0.000 0.627 355 A CB -1.282 17.734 19.000 0.027 0.000 0.818 355 A HN 0.962 nan 8.150 nan 0.000 0.445 356 D N -0.561 119.858 120.400 0.031 0.000 2.194 356 D HA -0.043 4.637 4.640 0.066 0.000 0.204 356 D C 0.472 176.793 176.300 0.034 0.000 0.964 356 D CA 0.945 54.960 54.000 0.025 0.000 0.846 356 D CB -0.018 40.789 40.800 0.013 0.000 0.962 356 D HN 0.488 nan 8.370 nan 0.000 0.490 357 K N 1.148 121.578 120.400 0.050 0.000 2.762 357 K HA 0.312 4.671 4.320 0.066 0.000 0.180 357 K C -2.554 174.152 176.600 0.177 0.000 1.067 357 K CA -1.573 54.758 56.287 0.072 0.000 0.973 357 K CB 2.044 34.555 32.500 0.019 0.000 1.290 357 K HN 0.127 nan 8.250 nan 0.000 0.604 358 P HA 0.068 nan 4.420 nan 0.000 0.277 358 P C -0.562 176.841 177.300 0.172 0.000 1.271 358 P CA -0.805 62.394 63.100 0.166 0.000 0.795 358 P CB 0.732 32.472 31.700 0.066 0.000 1.101 359 L N 0.606 121.788 121.223 -0.070 0.000 2.278 359 L HA 0.407 4.787 4.340 0.066 0.000 0.287 359 L C -0.666 176.172 176.870 -0.054 0.000 1.072 359 L CA 0.674 55.337 54.840 -0.296 0.000 0.819 359 L CB -0.236 41.392 42.059 -0.718 0.000 1.176 359 L HN 0.267 nan 8.230 nan 0.000 0.435 360 T N 6.842 121.426 114.554 0.050 0.000 2.879 360 T HA 0.725 5.115 4.350 0.066 0.000 0.290 360 T C -0.841 173.963 174.700 0.174 0.000 0.993 360 T CA -0.158 61.952 62.100 0.016 0.000 0.975 360 T CB 0.807 69.681 68.868 0.011 0.000 0.981 360 T HN 0.489 nan 8.240 nan 0.000 0.439 361 F N -0.454 119.537 119.950 0.068 0.000 2.745 361 F HA 0.720 5.287 4.527 0.066 0.000 0.316 361 F C -1.338 174.532 175.800 0.116 0.000 1.155 361 F CA -1.358 56.725 58.000 0.139 0.000 0.937 361 F CB 0.835 40.026 39.000 0.318 0.000 1.361 361 F HN 0.225 nan 8.300 nan 0.000 0.472 362 D N 1.325 121.937 120.400 0.352 0.000 2.294 362 D HA 0.476 5.156 4.640 0.066 0.000 0.250 362 D C -1.288 175.203 176.300 0.320 0.000 1.058 362 D CA -0.135 53.999 54.000 0.224 0.000 0.950 362 D CB 2.480 43.402 40.800 0.204 0.000 1.158 362 D HN 0.521 nan 8.370 nan 0.000 0.453 363 L N 2.329 123.701 121.223 0.249 0.000 2.377 363 L HA 0.307 4.687 4.340 0.066 0.000 0.270 363 L C -1.480 175.590 176.870 0.334 0.000 0.991 363 L CA -0.780 54.253 54.840 0.320 0.000 0.851 363 L CB 1.227 43.446 42.059 0.267 0.000 1.218 363 L HN 0.212 nan 8.230 nan 0.000 0.420 364 L N 6.434 127.855 121.223 0.329 0.000 2.312 364 L HA 0.660 5.039 4.340 0.066 0.000 0.281 364 L C -1.082 176.009 176.870 0.368 0.000 1.070 364 L CA 0.019 55.024 54.840 0.276 0.000 0.805 364 L CB 0.930 43.120 42.059 0.219 0.000 1.174 364 L HN 0.617 nan 8.230 nan 0.000 0.434 365 Y N 2.459 122.817 120.300 0.097 0.000 2.588 365 Y HA 0.571 5.160 4.550 0.066 0.000 0.343 365 Y C -0.875 174.740 175.900 -0.474 0.000 1.065 365 Y CA -1.513 56.493 58.100 -0.156 0.000 1.038 365 Y CB 0.797 39.246 38.460 -0.018 0.000 1.297 365 Y HN 0.715 nan 8.280 nan 0.000 0.467 366 N N 0.767 118.903 118.700 -0.939 0.000 2.488 366 N HA 0.096 4.876 4.740 0.066 0.000 0.274 366 N C -0.606 174.839 175.510 -0.107 0.000 1.111 366 N CA -0.286 52.361 53.050 -0.672 0.000 0.974 366 N CB 1.220 39.331 38.487 -0.627 0.000 1.089 366 N HN 0.802 nan 8.380 nan 0.000 0.465 367 T N 1.339 115.819 114.554 -0.125 0.000 2.718 367 T HA 0.055 4.444 4.350 0.066 0.000 0.265 367 T C 0.321 175.098 174.700 0.128 0.000 1.014 367 T CA 0.652 62.765 62.100 0.022 0.000 1.172 367 T CB -0.418 68.442 68.868 -0.013 0.000 1.007 367 T HN 0.743 nan 8.240 nan 0.000 0.500 368 S N 1.924 117.747 115.700 0.205 0.000 2.606 368 S HA 0.158 4.668 4.470 0.066 0.000 0.290 368 S C 0.215 174.847 174.600 0.053 0.000 1.103 368 S CA -0.851 57.400 58.200 0.085 0.000 0.870 368 S CB 1.194 64.406 63.200 0.020 0.000 1.077 368 S HN 0.597 nan 8.310 nan 0.000 0.448 369 D N 1.789 122.177 120.400 -0.020 0.000 2.123 369 D HA -0.067 4.613 4.640 0.066 0.000 0.200 369 D C 1.894 178.147 176.300 -0.078 0.000 0.976 369 D CA 1.224 55.207 54.000 -0.028 0.000 0.831 369 D CB 0.037 40.822 40.800 -0.026 0.000 0.974 369 D HN 0.424 nan 8.370 nan 0.000 0.469 370 L N 1.366 122.500 121.223 -0.148 0.000 2.017 370 L HA -0.178 4.202 4.340 0.066 0.000 0.208 370 L C 2.162 178.945 176.870 -0.144 0.000 1.073 370 L CA 1.880 56.609 54.840 -0.186 0.000 0.745 370 L CB -0.713 41.183 42.059 -0.272 0.000 0.894 370 L HN 0.057 nan 8.230 nan 0.000 0.432 371 H N -0.207 118.872 119.070 0.014 0.000 2.428 371 H HA -0.099 4.496 4.556 0.065 0.000 0.296 371 H C 2.131 177.226 175.328 -0.388 0.000 1.062 371 H CA 1.429 57.457 56.048 -0.033 0.000 1.350 371 H CB -0.191 29.622 29.762 0.085 0.000 1.403 371 H HN 0.466 nan 8.280 nan 0.000 0.533 372 K N 1.744 121.937 120.400 -0.344 0.000 2.025 372 K HA -0.128 4.232 4.320 0.066 0.000 0.207 372 K C 1.901 178.344 176.600 -0.260 0.000 1.049 372 K CA 1.127 57.092 56.287 -0.537 0.000 0.933 372 K CB 0.107 32.527 32.500 -0.134 0.000 0.714 372 K HN 0.119 nan 8.250 nan 0.000 0.438 373 K N 0.686 121.002 120.400 -0.140 0.000 2.063 373 K HA -0.133 4.226 4.320 0.066 0.000 0.208 373 K C 2.256 178.798 176.600 -0.096 0.000 1.048 373 K CA 1.659 57.887 56.287 -0.098 0.000 0.928 373 K CB -0.203 32.251 32.500 -0.076 0.000 0.713 373 K HN 0.186 nan 8.250 nan 0.000 0.442 374 L N 0.315 121.493 121.223 -0.074 0.000 2.046 374 L HA -0.178 4.201 4.340 0.066 0.000 0.208 374 L C 2.582 179.430 176.870 -0.035 0.000 1.077 374 L CA 1.103 55.922 54.840 -0.035 0.000 0.747 374 L CB -0.534 41.544 42.059 0.032 0.000 0.896 374 L HN 0.211 nan 8.230 nan 0.000 0.432 375 A N 0.219 122.992 122.820 -0.079 0.000 1.898 375 A HA -0.158 4.202 4.320 0.066 0.000 0.216 375 A C 2.215 179.717 177.584 -0.136 0.000 1.181 375 A CA 1.392 53.361 52.037 -0.112 0.000 0.620 375 A CB -0.613 18.256 19.000 -0.218 0.000 0.819 375 A HN 0.341 nan 8.150 nan 0.000 0.442 376 I N -0.226 120.268 120.570 -0.127 0.000 2.226 376 I HA -0.289 3.921 4.170 0.066 0.000 0.245 376 I C 2.974 179.035 176.117 -0.094 0.000 1.100 376 I CA 1.084 62.332 61.300 -0.087 0.000 1.374 376 I CB -0.323 37.637 38.000 -0.067 0.000 1.057 376 I HN 0.358 nan 8.210 nan 0.000 0.413 377 A N 0.269 123.027 122.820 -0.104 0.000 1.902 377 A HA -0.149 4.211 4.320 0.066 0.000 0.217 377 A C 2.428 179.911 177.584 -0.168 0.000 1.181 377 A CA 1.718 53.690 52.037 -0.109 0.000 0.623 377 A CB -0.937 18.005 19.000 -0.098 0.000 0.818 377 A HN 0.244 nan 8.150 nan 0.000 0.443 378 V N -0.248 119.516 119.914 -0.250 0.000 2.427 378 V HA -0.211 3.949 4.120 0.066 0.000 0.248 378 V C 3.036 178.873 176.094 -0.429 0.000 1.051 378 V CA 1.789 63.792 62.300 -0.494 0.000 1.048 378 V CB -1.100 30.286 31.823 -0.729 0.000 0.666 378 V HN 0.620 nan 8.190 nan 0.000 0.456 379 A N -0.501 122.187 122.820 -0.220 0.000 1.902 379 A HA -0.243 4.117 4.320 0.066 0.000 0.217 379 A C 2.578 180.154 177.584 -0.014 0.000 1.181 379 A CA 2.307 54.308 52.037 -0.059 0.000 0.623 379 A CB -0.795 18.179 19.000 -0.045 0.000 0.818 379 A HN 0.515 nan 8.150 nan 0.000 0.443 380 S N -0.555 115.117 115.700 -0.046 0.000 2.383 380 S HA -0.088 4.422 4.470 0.066 0.000 0.227 380 S C 1.912 176.512 174.600 -0.002 0.000 1.026 380 S CA 1.285 59.474 58.200 -0.018 0.000 0.981 380 S CB -0.535 62.646 63.200 -0.031 0.000 0.818 380 S HN 0.466 nan 8.310 nan 0.000 0.472 381 I N -0.074 120.468 120.570 -0.046 0.000 2.202 381 I HA -0.132 4.078 4.170 0.066 0.000 0.242 381 I C 2.185 178.362 176.117 0.100 0.000 1.091 381 I CA 1.042 62.327 61.300 -0.024 0.000 1.368 381 I CB -0.356 37.572 38.000 -0.121 0.000 1.058 381 I HN 0.403 nan 8.210 nan 0.000 0.410 382 W N 1.489 122.774 121.300 -0.024 0.000 2.402 382 W HA -0.161 4.539 4.660 0.067 0.000 0.286 382 W C 2.646 179.151 176.519 -0.024 0.000 1.221 382 W CA 0.995 58.329 57.345 -0.018 0.000 1.257 382 W CB -0.740 28.707 29.460 -0.022 0.000 1.120 382 W HN 0.094 nan 8.180 nan 0.000 0.551 383 K N 1.192 121.703 120.400 0.185 0.000 1.984 383 K HA -0.182 4.177 4.320 0.066 0.000 0.209 383 K C 2.051 178.695 176.600 0.073 0.000 1.046 383 K CA 1.909 58.249 56.287 0.088 0.000 0.934 383 K CB -0.718 31.810 32.500 0.046 0.000 0.717 383 K HN -0.140 nan 8.250 nan 0.000 0.438 384 K N -0.239 120.202 120.400 0.069 0.000 2.097 384 K HA -0.112 4.247 4.320 0.066 0.000 0.206 384 K C 1.270 177.910 176.600 0.067 0.000 1.049 384 K CA 1.643 57.962 56.287 0.055 0.000 0.933 384 K CB -0.072 32.453 32.500 0.041 0.000 0.717 384 K HN 0.162 nan 8.250 nan 0.000 0.442 385 N N 0.117 118.877 118.700 0.100 0.000 2.409 385 N HA -0.049 4.731 4.740 0.066 0.000 0.174 385 N C 1.104 176.673 175.510 0.098 0.000 1.037 385 N CA 0.569 53.682 53.050 0.106 0.000 0.898 385 N CB 0.295 38.868 38.487 0.144 0.000 1.010 385 N HN 0.129 nan 8.380 nan 0.000 0.445 386 L N -1.233 120.051 121.223 0.102 0.000 3.086 386 L HA 0.435 4.815 4.340 0.066 0.000 0.274 386 L C 0.675 177.558 176.870 0.022 0.000 1.184 386 L CA 0.368 55.239 54.840 0.050 0.000 1.002 386 L CB 0.028 42.103 42.059 0.027 0.000 1.383 386 L HN 0.184 nan 8.230 nan 0.000 0.582 387 G N 0.788 109.609 108.800 0.035 0.000 2.198 387 G HA2 -0.220 3.779 3.960 0.066 0.000 0.260 387 G HA3 -0.220 3.779 3.960 0.066 0.000 0.260 387 G C 0.208 175.105 174.900 -0.006 0.000 1.025 387 G CA 0.572 45.684 45.100 0.019 0.000 0.769 387 G HN 0.893 nan 8.290 nan 0.000 0.507 388 V N -2.731 117.174 119.914 -0.016 0.000 2.612 388 V HA 0.807 4.966 4.120 0.066 0.000 0.301 388 V C -0.054 175.994 176.094 -0.076 0.000 1.046 388 V CA -1.665 60.595 62.300 -0.067 0.000 0.946 388 V CB 1.894 33.657 31.823 -0.101 0.000 1.003 388 V HN 0.195 nan 8.190 nan 0.000 0.459 389 N N 2.635 121.252 118.700 -0.139 0.000 2.399 389 N HA 0.673 5.452 4.740 0.066 0.000 0.295 389 N C -1.118 174.194 175.510 -0.331 0.000 1.048 389 N CA -0.290 52.669 53.050 -0.151 0.000 0.886 389 N CB 2.163 40.596 38.487 -0.089 0.000 1.185 389 N HN 0.638 nan 8.380 nan 0.000 0.487 390 V N 2.165 121.920 119.914 -0.266 0.000 2.735 390 V HA 0.350 4.510 4.120 0.066 0.000 0.310 390 V C -0.560 175.450 176.094 -0.140 0.000 1.061 390 V CA -0.870 61.216 62.300 -0.357 0.000 0.913 390 V CB 2.076 33.719 31.823 -0.301 0.000 1.005 390 V HN 0.613 nan 8.190 nan 0.000 0.428 391 N N 3.728 122.375 118.700 -0.088 0.000 2.444 391 N HA 0.551 5.331 4.740 0.066 0.000 0.262 391 N C -1.070 174.478 175.510 0.064 0.000 0.974 391 N CA -0.602 52.450 53.050 0.003 0.000 0.933 391 N CB 1.444 39.944 38.487 0.022 0.000 1.137 391 N HN 0.393 nan 8.380 nan 0.000 0.498 392 L N 2.217 123.496 121.223 0.093 0.000 2.397 392 L HA 0.268 4.647 4.340 0.066 0.000 0.271 392 L C 0.096 177.071 176.870 0.175 0.000 1.148 392 L CA 0.481 55.433 54.840 0.188 0.000 0.825 392 L CB 0.438 42.630 42.059 0.222 0.000 1.117 392 L HN 0.541 nan 8.230 nan 0.000 0.456 393 E N 2.793 123.101 120.200 0.180 0.000 2.278 393 E HA 0.305 4.695 4.350 0.066 0.000 0.272 393 E C -1.223 175.217 176.600 -0.268 0.000 0.890 393 E CA -0.802 55.609 56.400 0.018 0.000 0.770 393 E CB 1.702 31.427 29.700 0.042 0.000 1.212 393 E HN 0.593 nan 8.360 nan 0.000 0.415 394 N N 2.590 121.038 118.700 -0.420 0.000 2.466 394 N HA 0.337 5.116 4.740 0.066 0.000 0.294 394 N C -0.666 174.648 175.510 -0.326 0.000 1.129 394 N CA -0.581 52.000 53.050 -0.781 0.000 0.931 394 N CB 2.094 40.147 38.487 -0.724 0.000 1.193 394 N HN 0.442 nan 8.380 nan 0.000 0.500 395 Q N -0.118 119.519 119.800 -0.271 0.000 2.377 395 Q HA 0.237 4.617 4.340 0.066 0.000 0.279 395 Q C -1.114 174.861 176.000 -0.042 0.000 1.049 395 Q CA -0.829 54.926 55.803 -0.081 0.000 0.825 395 Q CB 2.289 31.047 28.738 0.034 0.000 1.401 395 Q HN 0.539 nan 8.270 nan 0.000 0.404 396 E N 0.976 121.190 120.200 0.023 0.000 2.408 396 E HA -0.109 4.281 4.350 0.066 0.000 0.259 396 E C 0.447 177.162 176.600 0.191 0.000 1.110 396 E CA 0.127 56.576 56.400 0.082 0.000 0.929 396 E CB 0.439 30.187 29.700 0.079 0.000 0.971 396 E HN 0.719 nan 8.360 nan 0.000 0.438 397 W N 3.127 124.433 121.300 0.010 0.000 2.290 397 W HA -0.369 4.331 4.660 0.067 0.000 0.328 397 W C 1.892 178.502 176.519 0.152 0.000 1.272 397 W CA 2.160 59.556 57.345 0.085 0.000 1.262 397 W CB -0.051 29.432 29.460 0.039 0.000 1.151 397 W HN 0.577 nan 8.180 nan 0.000 0.473 398 K N -0.501 119.985 120.400 0.143 0.000 2.063 398 K HA -0.194 4.166 4.320 0.066 0.000 0.208 398 K C 1.967 178.543 176.600 -0.040 0.000 1.048 398 K CA 2.431 58.703 56.287 -0.024 0.000 0.928 398 K CB -0.475 32.067 32.500 0.071 0.000 0.713 398 K HN 0.037 nan 8.250 nan 0.000 0.442 399 T N 0.844 115.416 114.554 0.031 0.000 2.746 399 T HA -0.148 4.242 4.350 0.066 0.000 0.267 399 T C 1.372 176.079 174.700 0.013 0.000 1.039 399 T CA 1.316 63.428 62.100 0.021 0.000 1.142 399 T CB -0.411 68.483 68.868 0.042 0.000 0.866 399 T HN 0.306 nan 8.240 nan 0.000 0.444 400 F N 2.144 122.013 119.950 -0.134 0.000 2.091 400 F HA -0.112 4.454 4.527 0.065 0.000 0.299 400 F C 1.865 177.494 175.800 -0.286 0.000 1.103 400 F CA 1.227 59.111 58.000 -0.193 0.000 1.228 400 F CB -0.611 38.299 39.000 -0.150 0.000 0.984 400 F HN 0.067 nan 8.300 nan 0.000 0.477 401 L N -0.167 120.794 121.223 -0.436 0.000 2.093 401 L HA -0.181 4.198 4.340 0.066 0.000 0.208 401 L C 2.206 178.924 176.870 -0.253 0.000 1.085 401 L CA 1.769 56.289 54.840 -0.533 0.000 0.755 401 L CB -0.961 40.807 42.059 -0.485 0.000 0.904 401 L HN 0.177 nan 8.230 nan 0.000 0.435 402 D N -0.243 120.071 120.400 -0.142 0.000 2.117 402 D HA -0.168 4.512 4.640 0.066 0.000 0.197 402 D C 1.997 178.261 176.300 -0.059 0.000 0.987 402 D CA 1.573 55.550 54.000 -0.039 0.000 0.829 402 D CB 0.173 40.952 40.800 -0.035 0.000 0.961 402 D HN 0.089 nan 8.370 nan 0.000 0.460 403 T N -0.166 114.309 114.554 -0.132 0.000 2.684 403 T HA -0.163 4.226 4.350 0.066 0.000 0.267 403 T C 2.023 176.611 174.700 -0.186 0.000 1.036 403 T CA 1.363 63.389 62.100 -0.122 0.000 1.148 403 T CB -0.216 68.572 68.868 -0.133 0.000 0.863 403 T HN 0.192 nan 8.240 nan 0.000 0.436 404 R N 0.029 120.236 120.500 -0.488 0.000 2.081 404 R HA -0.073 4.307 4.340 0.066 0.000 0.235 404 R C 2.519 178.721 176.300 -0.163 0.000 1.131 404 R CA 1.319 57.033 56.100 -0.643 0.000 0.960 404 R CB -0.389 29.324 30.300 -0.979 0.000 0.856 404 R HN 0.536 nan 8.270 nan 0.000 0.436 405 H N 0.651 119.665 119.070 -0.093 0.000 2.387 405 H HA -0.108 4.488 4.556 0.066 0.000 0.299 405 H C 2.012 177.422 175.328 0.137 0.000 1.090 405 H CA 1.412 57.468 56.048 0.013 0.000 1.332 405 H CB 0.096 29.822 29.762 -0.059 0.000 1.386 405 H HN 0.374 nan 8.280 nan 0.000 0.516 406 Q N -0.383 119.525 119.800 0.180 0.000 2.224 406 Q HA -0.012 4.368 4.340 0.066 0.000 0.203 406 Q C 1.261 177.321 176.000 0.100 0.000 0.970 406 Q CA 0.746 56.625 55.803 0.126 0.000 0.865 406 Q CB 0.329 29.110 28.738 0.071 0.000 0.922 406 Q HN 0.639 nan 8.270 nan 0.000 0.445 407 G N 1.276 110.182 108.800 0.177 0.000 2.160 407 G HA2 -0.259 3.740 3.960 0.066 0.000 0.244 407 G HA3 -0.259 3.740 3.960 0.066 0.000 0.244 407 G C 0.298 175.223 174.900 0.042 0.000 1.022 407 G CA 0.485 45.564 45.100 -0.036 0.000 0.741 407 G HN 0.399 nan 8.290 nan 0.000 0.508 408 T N -1.256 113.416 114.554 0.196 0.000 3.389 408 T HA 0.625 5.015 4.350 0.066 0.000 0.238 408 T C 0.044 174.881 174.700 0.228 0.000 1.178 408 T CA 0.031 62.206 62.100 0.124 0.000 1.117 408 T CB -0.688 68.225 68.868 0.076 0.000 1.177 408 T HN 1.569 nan 8.240 nan 0.000 0.653 409 F N -1.718 118.193 119.950 -0.065 0.000 2.779 409 F HA 0.731 5.298 4.527 0.067 0.000 0.316 409 F C -0.901 174.846 175.800 -0.089 0.000 1.164 409 F CA -1.227 56.740 58.000 -0.054 0.000 0.924 409 F CB 0.783 39.741 39.000 -0.070 0.000 1.348 409 F HN -0.144 nan 8.300 nan 0.000 0.467 410 D N 0.471 120.825 120.400 -0.078 0.000 3.032 410 D HA 0.285 4.965 4.640 0.066 0.000 0.280 410 D C -0.432 175.494 176.300 -0.623 0.000 1.381 410 D CA 1.028 54.760 54.000 -0.446 0.000 1.068 410 D CB 0.777 41.526 40.800 -0.086 0.000 1.148 410 D HN 0.240 nan 8.370 nan 0.000 0.401 411 V N 0.556 120.425 119.914 -0.076 0.000 2.656 411 V HA 0.771 4.931 4.120 0.066 0.000 0.307 411 V C -0.724 175.599 176.094 0.383 0.000 1.051 411 V CA -0.900 61.465 62.300 0.109 0.000 0.893 411 V CB 1.823 33.708 31.823 0.103 0.000 0.999 411 V HN 0.320 nan 8.190 nan 0.000 0.426 412 A N 3.856 126.882 122.820 0.344 0.000 2.414 412 A HA 0.798 5.158 4.320 0.066 0.000 0.306 412 A C -0.339 177.354 177.584 0.180 0.000 1.054 412 A CA -0.786 51.376 52.037 0.209 0.000 0.724 412 A CB 1.692 20.560 19.000 -0.221 0.000 1.267 412 A HN 0.747 nan 8.150 nan 0.000 0.418 413 R N 1.093 121.723 120.500 0.216 0.000 2.679 413 R HA 0.513 4.893 4.340 0.066 0.000 0.268 413 R C -0.375 175.705 176.300 -0.367 0.000 1.044 413 R CA 1.066 57.054 56.100 -0.187 0.000 1.105 413 R CB 0.505 30.783 30.300 -0.037 0.000 0.989 413 R HN 1.364 nan 8.270 nan 0.000 0.447 414 A N 1.680 123.997 122.820 -0.838 0.000 2.612 414 A HA 0.661 5.021 4.320 0.066 0.000 0.293 414 A C -1.130 175.959 177.584 -0.826 0.000 1.075 414 A CA -0.160 51.406 52.037 -0.786 0.000 0.680 414 A CB 1.830 20.147 19.000 -1.139 0.000 1.279 414 A HN 0.814 nan 8.150 nan 0.000 0.411 415 G N -0.308 108.336 108.800 -0.260 0.000 2.731 415 G HA2 0.566 4.566 3.960 0.066 0.000 0.298 415 G HA3 0.566 4.566 3.960 0.066 0.000 0.298 415 G C -1.508 173.602 174.900 0.351 0.000 1.424 415 G CA -0.234 44.933 45.100 0.111 0.000 1.029 415 G HN 0.973 nan 8.290 nan 0.000 0.518 416 W N 2.339 123.763 121.300 0.208 0.000 2.739 416 W HA 0.548 5.250 4.660 0.070 0.000 0.331 416 W C -1.280 175.083 176.519 -0.260 0.000 1.049 416 W CA -0.841 56.465 57.345 -0.064 0.000 1.234 416 W CB 2.065 31.421 29.460 -0.173 0.000 1.404 416 W HN 0.552 nan 8.180 nan 0.000 0.477 417 c N 3.976 122.056 118.600 -0.867 0.000 2.456 417 c HA 0.684 5.294 4.570 0.066 0.000 0.325 417 c C 0.871 174.444 174.090 -0.862 0.000 1.217 417 c CA -0.508 55.408 56.329 -0.689 0.000 1.687 417 c CB 0.678 42.839 42.510 -0.582 0.000 2.270 417 c HN 0.701 nan 8.230 nan 0.000 0.499 418 A N 2.032 124.599 122.820 -0.420 0.000 2.520 418 A HA 0.198 4.558 4.320 0.066 0.000 0.235 418 A C 0.812 178.244 177.584 -0.254 0.000 1.065 418 A CA 0.391 52.245 52.037 -0.306 0.000 0.764 418 A CB 0.195 19.165 19.000 -0.051 0.000 1.002 418 A HN 0.932 nan 8.150 nan 0.000 0.502 419 D N -0.884 119.415 120.400 -0.168 0.000 2.388 419 D HA 0.167 4.847 4.640 0.066 0.000 0.208 419 D C -0.335 176.106 176.300 0.236 0.000 1.035 419 D CA 1.351 55.398 54.000 0.078 0.000 0.875 419 D CB 0.204 41.102 40.800 0.162 0.000 0.984 419 D HN 0.685 nan 8.370 nan 0.000 0.508 420 Y N -1.588 118.739 120.300 0.045 0.000 2.544 420 Y HA 0.463 5.051 4.550 0.063 0.000 0.342 420 Y C -0.637 175.249 175.900 -0.024 0.000 1.062 420 Y CA -1.496 56.611 58.100 0.013 0.000 1.023 420 Y CB 0.570 39.027 38.460 -0.004 0.000 1.308 420 Y HN -0.405 nan 8.280 nan 0.000 0.457 421 N N 3.156 121.889 118.700 0.056 0.000 2.739 421 N HA 0.174 4.953 4.740 0.066 0.000 0.266 421 N C -1.128 174.330 175.510 -0.087 0.000 1.168 421 N CA 0.440 53.465 53.050 -0.042 0.000 1.055 421 N CB -0.164 38.334 38.487 0.018 0.000 1.393 421 N HN 0.777 nan 8.380 nan 0.000 0.514 422 E N 2.367 122.423 120.200 -0.240 0.000 2.378 422 E HA 0.233 4.623 4.350 0.066 0.000 0.283 422 E C -2.386 173.941 176.600 -0.456 0.000 0.979 422 E CA -1.485 54.732 56.400 -0.306 0.000 0.795 422 E CB 1.778 31.291 29.700 -0.311 0.000 1.221 422 E HN 0.064 nan 8.360 nan 0.000 0.428 423 P HA -0.150 nan 4.420 nan 0.000 0.217 423 P C 1.169 178.098 177.300 -0.618 0.000 1.148 423 P CA 2.190 64.894 63.100 -0.661 0.000 0.828 423 P CB 0.098 31.190 31.700 -1.013 0.000 0.783 424 T N -4.736 109.433 114.554 -0.640 0.000 3.007 424 T HA -0.073 4.316 4.350 0.066 0.000 0.270 424 T C 1.972 176.467 174.700 -0.340 0.000 1.107 424 T CA 1.191 63.076 62.100 -0.359 0.000 1.118 424 T CB -1.120 67.699 68.868 -0.082 0.000 0.889 424 T HN -0.017 nan 8.240 nan 0.000 0.506 425 S N -0.163 115.174 115.700 -0.604 0.000 2.419 425 S HA 0.011 4.521 4.470 0.066 0.000 0.233 425 S C 1.273 175.719 174.600 -0.257 0.000 1.016 425 S CA 0.722 58.516 58.200 -0.676 0.000 0.974 425 S CB -0.543 62.033 63.200 -1.040 0.000 0.786 425 S HN 0.564 nan 8.310 nan 0.000 0.492 426 F N 0.895 120.624 119.950 -0.368 0.000 2.243 426 F HA 0.329 4.894 4.527 0.063 0.000 0.287 426 F C 1.946 177.565 175.800 -0.302 0.000 1.067 426 F CA 0.464 58.201 58.000 -0.439 0.000 1.304 426 F CB -0.587 38.016 39.000 -0.662 0.000 1.087 426 F HN 0.090 nan 8.300 nan 0.000 0.513 427 L N 0.134 121.352 121.223 -0.008 0.000 2.127 427 L HA -0.256 4.124 4.340 0.066 0.000 0.211 427 L C 1.926 178.875 176.870 0.132 0.000 1.089 427 L CA 1.006 55.938 54.840 0.154 0.000 0.757 427 L CB -0.691 41.391 42.059 0.037 0.000 0.899 427 L HN 0.159 nan 8.230 nan 0.000 0.434 428 N N -0.484 118.121 118.700 -0.158 0.000 2.364 428 N HA -0.142 4.637 4.740 0.066 0.000 0.183 428 N C 1.900 177.272 175.510 -0.230 0.000 1.022 428 N CA 1.759 54.626 53.050 -0.307 0.000 0.883 428 N CB -0.409 37.466 38.487 -1.019 0.000 0.965 428 N HN 0.464 nan 8.380 nan 0.000 0.438 429 T N -2.397 111.994 114.554 -0.271 0.000 3.072 429 T HA 0.054 4.444 4.350 0.066 0.000 0.266 429 T C 1.389 175.983 174.700 -0.177 0.000 1.127 429 T CA 0.557 62.496 62.100 -0.268 0.000 1.107 429 T CB 0.008 68.477 68.868 -0.666 0.000 0.910 429 T HN -0.036 nan 8.240 nan 0.000 0.513 430 M N 0.847 120.406 119.600 -0.067 0.000 2.383 430 M HA 0.423 4.943 4.480 0.066 0.000 0.247 430 M C 0.218 176.553 176.300 0.058 0.000 1.117 430 M CA -0.202 55.006 55.300 -0.153 0.000 0.995 430 M CB -0.566 31.704 32.600 -0.549 0.000 1.480 430 M HN 0.294 nan 8.290 nan 0.000 0.485 431 L N 0.180 121.538 121.223 0.226 0.000 2.485 431 L HA 0.038 4.418 4.340 0.066 0.000 0.275 431 L C 1.757 178.689 176.870 0.103 0.000 1.207 431 L CA -0.325 54.667 54.840 0.253 0.000 0.855 431 L CB 0.362 42.554 42.059 0.221 0.000 1.114 431 L HN 0.198 nan 8.230 nan 0.000 0.485 432 S N 1.272 117.013 115.700 0.068 0.000 2.381 432 S HA -0.217 4.293 4.470 0.066 0.000 0.230 432 S C 1.195 175.798 174.600 0.004 0.000 1.052 432 S CA 2.000 60.197 58.200 -0.005 0.000 1.068 432 S CB -0.271 62.923 63.200 -0.009 0.000 0.918 432 S HN 0.931 nan 8.310 nan 0.000 0.448 433 D N 0.579 120.998 120.400 0.031 0.000 2.342 433 D HA 0.137 4.816 4.640 0.066 0.000 0.221 433 D C 0.281 176.598 176.300 0.028 0.000 1.101 433 D CA -0.027 53.987 54.000 0.023 0.000 0.837 433 D CB -0.283 40.534 40.800 0.027 0.000 0.938 433 D HN 0.179 nan 8.370 nan 0.000 0.508 434 S N 0.332 116.059 115.700 0.045 0.000 2.549 434 S HA 0.115 4.624 4.470 0.066 0.000 0.283 434 S C 1.571 176.169 174.600 -0.004 0.000 1.320 434 S CA 0.073 58.312 58.200 0.064 0.000 1.058 434 S CB 0.882 64.142 63.200 0.100 0.000 0.882 434 S HN 0.295 nan 8.310 nan 0.000 0.498 435 S N 3.931 119.617 115.700 -0.023 0.000 2.447 435 S HA -0.094 4.416 4.470 0.066 0.000 0.233 435 S C 0.969 175.553 174.600 -0.026 0.000 1.006 435 S CA 1.190 59.365 58.200 -0.042 0.000 0.957 435 S CB -0.632 62.520 63.200 -0.079 0.000 0.773 435 S HN 0.855 nan 8.310 nan 0.000 0.507 436 N N 1.732 120.390 118.700 -0.070 0.000 2.336 436 N HA 0.142 4.922 4.740 0.066 0.000 0.189 436 N C 0.035 175.397 175.510 -0.245 0.000 1.113 436 N CA -0.046 52.915 53.050 -0.149 0.000 0.858 436 N CB -0.066 38.260 38.487 -0.269 0.000 0.970 436 N HN 0.259 nan 8.380 nan 0.000 0.471 437 N N 1.151 119.728 118.700 -0.206 0.000 2.739 437 N HA 0.007 4.786 4.740 0.066 0.000 0.266 437 N C 0.407 175.661 175.510 -0.426 0.000 1.168 437 N CA 0.147 53.033 53.050 -0.273 0.000 1.055 437 N CB 0.194 38.570 38.487 -0.185 0.000 1.393 437 N HN 0.193 nan 8.380 nan 0.000 0.514 438 T N -1.488 112.814 114.554 -0.420 0.000 3.129 438 T HA 0.142 4.532 4.350 0.066 0.000 0.251 438 T C 1.532 176.153 174.700 -0.132 0.000 1.117 438 T CA 0.325 62.160 62.100 -0.442 0.000 1.034 438 T CB 0.194 68.761 68.868 -0.502 0.000 0.968 438 T HN 0.271 nan 8.240 nan 0.000 0.526 439 A N 1.158 123.896 122.820 -0.136 0.000 2.119 439 A HA 0.058 4.417 4.320 0.066 0.000 0.216 439 A C 0.969 178.614 177.584 0.103 0.000 1.152 439 A CA 0.352 52.400 52.037 0.018 0.000 0.708 439 A CB -0.805 18.132 19.000 -0.104 0.000 0.805 439 A HN 0.731 nan 8.150 nan 0.000 0.460 440 H N -3.286 115.774 119.070 -0.018 0.000 2.820 440 H HA -0.230 4.366 4.556 0.067 0.000 0.295 440 H C -0.447 174.882 175.328 0.002 0.000 1.187 440 H CA 1.075 57.111 56.048 -0.020 0.000 1.144 440 H CB -2.017 27.719 29.762 -0.045 0.000 1.354 440 H HN 0.709 nan 8.280 nan 0.000 0.395 441 Y N 1.803 122.043 120.300 -0.100 0.000 2.316 441 Y HA 0.354 4.944 4.550 0.066 0.000 0.331 441 Y C -0.040 175.789 175.900 -0.118 0.000 1.083 441 Y CA -0.195 57.824 58.100 -0.134 0.000 1.206 441 Y CB 0.771 39.087 38.460 -0.241 0.000 1.195 441 Y HN 0.020 nan 8.280 nan 0.000 0.497 442 K N 5.309 125.398 120.400 -0.518 0.000 2.656 442 K HA 0.301 4.661 4.320 0.066 0.000 0.241 442 K C -1.339 174.930 176.600 -0.552 0.000 0.967 442 K CA -0.556 55.479 56.287 -0.421 0.000 0.946 442 K CB 1.609 34.001 32.500 -0.180 0.000 1.164 442 K HN 0.549 nan 8.250 nan 0.000 0.459 443 S N 3.449 118.802 115.700 -0.579 0.000 2.756 443 S HA 0.377 4.887 4.470 0.066 0.000 0.303 443 S C -2.201 172.362 174.600 -0.062 0.000 1.135 443 S CA -1.700 56.291 58.200 -0.348 0.000 1.066 443 S CB 1.153 64.105 63.200 -0.414 0.000 1.008 443 S HN 0.211 nan 8.310 nan 0.000 0.482 444 P HA 0.008 nan 4.420 nan 0.000 0.217 444 P C 1.424 178.754 177.300 0.050 0.000 1.150 444 P CA 1.226 64.334 63.100 0.014 0.000 0.832 444 P CB 0.117 31.816 31.700 -0.001 0.000 0.787 445 A N -0.839 122.019 122.820 0.062 0.000 1.877 445 A HA -0.212 4.148 4.320 0.066 0.000 0.216 445 A C 2.157 179.817 177.584 0.127 0.000 1.186 445 A CA 1.520 53.607 52.037 0.084 0.000 0.620 445 A CB -1.862 17.194 19.000 0.093 0.000 0.822 445 A HN 0.177 nan 8.150 nan 0.000 0.443 446 F N 1.165 121.143 119.950 0.046 0.000 2.102 446 F HA -0.201 4.366 4.527 0.065 0.000 0.298 446 F C 1.809 177.652 175.800 0.071 0.000 1.105 446 F CA 2.142 60.198 58.000 0.093 0.000 1.239 446 F CB -0.151 38.967 39.000 0.196 0.000 0.991 446 F HN 0.234 nan 8.300 nan 0.000 0.474 447 D N 0.474 120.999 120.400 0.208 0.000 2.123 447 D HA -0.205 4.474 4.640 0.066 0.000 0.196 447 D C 2.098 178.397 176.300 -0.001 0.000 0.992 447 D CA 1.422 55.484 54.000 0.103 0.000 0.833 447 D CB -0.421 40.448 40.800 0.114 0.000 0.954 447 D HN 0.177 nan 8.370 nan 0.000 0.455 448 K N 0.991 121.394 120.400 0.005 0.000 2.026 448 K HA -0.066 4.294 4.320 0.066 0.000 0.208 448 K C 2.138 178.711 176.600 -0.045 0.000 1.048 448 K CA 0.876 57.158 56.287 -0.008 0.000 0.929 448 K CB -0.690 31.813 32.500 0.005 0.000 0.713 448 K HN 0.133 nan 8.250 nan 0.000 0.439 449 L N 0.353 121.524 121.223 -0.086 0.000 2.013 449 L HA -0.200 4.179 4.340 0.066 0.000 0.212 449 L C 2.248 179.043 176.870 -0.125 0.000 1.073 449 L CA 0.960 55.732 54.840 -0.112 0.000 0.753 449 L CB -0.501 41.474 42.059 -0.140 0.000 0.890 449 L HN 0.184 nan 8.230 nan 0.000 0.432 450 I N -0.083 120.373 120.570 -0.190 0.000 2.353 450 I HA -0.180 4.030 4.170 0.066 0.000 0.248 450 I C 2.805 178.930 176.117 0.012 0.000 1.119 450 I CA 1.390 62.639 61.300 -0.085 0.000 1.417 450 I CB -1.585 36.318 38.000 -0.161 0.000 1.078 450 I HN 0.172 nan 8.210 nan 0.000 0.421 451 A N 0.726 123.550 122.820 0.006 0.000 1.933 451 A HA -0.215 4.145 4.320 0.066 0.000 0.218 451 A C 1.947 179.533 177.584 0.003 0.000 1.175 451 A CA 1.876 53.934 52.037 0.036 0.000 0.628 451 A CB -0.593 18.428 19.000 0.036 0.000 0.814 451 A HN 0.321 nan 8.150 nan 0.000 0.444 452 D N -0.385 120.005 120.400 -0.017 0.000 2.218 452 D HA -0.109 4.570 4.640 0.066 0.000 0.204 452 D C 2.268 178.542 176.300 -0.042 0.000 0.976 452 D CA 1.775 55.757 54.000 -0.031 0.000 0.853 452 D CB -0.538 40.238 40.800 -0.041 0.000 0.939 452 D HN 0.652 nan 8.370 nan 0.000 0.481 453 T N -1.381 113.151 114.554 -0.037 0.000 2.849 453 T HA -0.118 4.272 4.350 0.066 0.000 0.270 453 T C 1.875 176.570 174.700 -0.009 0.000 1.066 453 T CA 0.745 62.814 62.100 -0.053 0.000 1.130 453 T CB -0.306 68.558 68.868 -0.006 0.000 0.864 453 T HN 0.175 nan 8.240 nan 0.000 0.481 454 L N -0.714 120.501 121.223 -0.012 0.000 2.607 454 L HA 0.370 4.749 4.340 0.066 0.000 0.228 454 L C 2.241 179.082 176.870 -0.049 0.000 1.123 454 L CA 0.143 54.957 54.840 -0.043 0.000 0.890 454 L CB 0.024 41.996 42.059 -0.145 0.000 1.103 454 L HN 0.153 nan 8.230 nan 0.000 0.468 455 K N -0.029 120.348 120.400 -0.039 0.000 2.393 455 K HA 0.084 4.443 4.320 0.066 0.000 0.193 455 K C 0.331 176.920 176.600 -0.020 0.000 1.026 455 K CA 0.064 56.334 56.287 -0.029 0.000 1.064 455 K CB 0.644 33.128 32.500 -0.026 0.000 0.833 455 K HN 0.161 nan 8.250 nan 0.000 0.521 456 V N -3.241 116.660 119.914 -0.023 0.000 2.881 456 V HA 0.735 4.894 4.120 0.066 0.000 0.316 456 V C -0.128 175.964 176.094 -0.004 0.000 1.070 456 V CA -0.960 61.329 62.300 -0.018 0.000 0.976 456 V CB 1.702 33.503 31.823 -0.036 0.000 1.038 456 V HN -0.108 nan 8.190 nan 0.000 0.446 457 A N 1.517 124.342 122.820 0.008 0.000 2.855 457 A HA 0.528 4.888 4.320 0.066 0.000 0.301 457 A C -0.112 177.486 177.584 0.024 0.000 1.076 457 A CA -0.069 51.985 52.037 0.028 0.000 1.004 457 A CB -0.608 18.425 19.000 0.054 0.000 1.152 457 A HN 0.914 nan 8.150 nan 0.000 0.531 458 D N -0.468 119.934 120.400 0.003 0.000 2.696 458 D HA 0.240 4.920 4.640 0.066 0.000 0.251 458 D C -0.344 175.946 176.300 -0.016 0.000 1.188 458 D CA -0.266 53.734 54.000 -0.001 0.000 0.876 458 D CB 1.605 42.401 40.800 -0.007 0.000 1.334 458 D HN 0.011 nan 8.370 nan 0.000 0.540 459 D N 1.716 122.117 120.400 0.000 0.000 2.144 459 D HA -0.106 4.573 4.640 0.066 0.000 0.199 459 D C 1.505 177.787 176.300 -0.031 0.000 0.984 459 D CA 1.339 55.338 54.000 -0.002 0.000 0.834 459 D CB 0.356 41.172 40.800 0.028 0.000 0.955 459 D HN 0.463 nan 8.370 nan 0.000 0.465 460 T N 0.554 115.093 114.554 -0.025 0.000 2.857 460 T HA -0.099 4.291 4.350 0.066 0.000 0.266 460 T C 1.924 176.584 174.700 -0.067 0.000 1.048 460 T CA 0.818 62.898 62.100 -0.034 0.000 1.139 460 T CB -0.097 68.761 68.868 -0.017 0.000 0.874 460 T HN 0.260 nan 8.240 nan 0.000 0.455 461 Q N 0.605 120.364 119.800 -0.069 0.000 2.119 461 Q HA -0.021 4.359 4.340 0.066 0.000 0.201 461 Q C 2.529 178.427 176.000 -0.169 0.000 0.972 461 Q CA 0.962 56.711 55.803 -0.090 0.000 0.847 461 Q CB -0.154 28.543 28.738 -0.067 0.000 0.903 461 Q HN 0.385 nan 8.270 nan 0.000 0.433 462 R N 0.302 120.678 120.500 -0.207 0.000 2.073 462 R HA -0.107 4.273 4.340 0.066 0.000 0.234 462 R C 2.359 178.258 176.300 -0.668 0.000 1.134 462 R CA 1.537 57.378 56.100 -0.431 0.000 0.952 462 R CB -0.034 30.067 30.300 -0.332 0.000 0.850 462 R HN 0.086 nan 8.270 nan 0.000 0.433 463 S N 0.404 115.904 115.700 -0.334 0.000 2.382 463 S HA -0.128 4.382 4.470 0.066 0.000 0.228 463 S C 1.546 176.078 174.600 -0.113 0.000 1.027 463 S CA 1.215 59.320 58.200 -0.157 0.000 0.991 463 S CB -0.075 63.114 63.200 -0.017 0.000 0.823 463 S HN 0.410 nan 8.310 nan 0.000 0.469 464 E N 0.671 120.799 120.200 -0.120 0.000 2.106 464 E HA -0.065 4.325 4.350 0.066 0.000 0.192 464 E C 1.952 178.501 176.600 -0.084 0.000 0.984 464 E CA 0.776 57.133 56.400 -0.072 0.000 0.806 464 E CB -0.170 29.495 29.700 -0.058 0.000 0.750 464 E HN 0.413 nan 8.360 nan 0.000 0.458 465 L N -0.155 120.965 121.223 -0.171 0.000 2.093 465 L HA -0.177 4.203 4.340 0.066 0.000 0.208 465 L C 2.176 179.006 176.870 -0.067 0.000 1.085 465 L CA 1.168 55.917 54.840 -0.152 0.000 0.755 465 L CB -0.420 41.508 42.059 -0.218 0.000 0.904 465 L HN 0.243 nan 8.230 nan 0.000 0.435 466 Y N -0.497 119.772 120.300 -0.052 0.000 2.181 466 Y HA -0.274 4.315 4.550 0.066 0.000 0.288 466 Y C 2.713 178.594 175.900 -0.032 0.000 1.146 466 Y CA 0.344 58.409 58.100 -0.058 0.000 1.164 466 Y CB -0.413 38.007 38.460 -0.066 0.000 0.982 466 Y HN 0.189 nan 8.280 nan 0.000 0.515 467 A N 0.748 123.644 122.820 0.125 0.000 1.883 467 A HA -0.256 4.104 4.320 0.066 0.000 0.217 467 A C 2.067 179.694 177.584 0.072 0.000 1.186 467 A CA 2.087 54.171 52.037 0.078 0.000 0.624 467 A CB -0.582 18.444 19.000 0.043 0.000 0.822 467 A HN 0.406 nan 8.150 nan 0.000 0.444 468 K N -0.396 120.033 120.400 0.048 0.000 2.097 468 K HA -0.018 4.342 4.320 0.066 0.000 0.206 468 K C 2.267 178.915 176.600 0.080 0.000 1.049 468 K CA 1.051 57.368 56.287 0.050 0.000 0.933 468 K CB -0.315 32.197 32.500 0.019 0.000 0.717 468 K HN 0.456 nan 8.250 nan 0.000 0.442 469 A N 1.605 124.465 122.820 0.066 0.000 1.902 469 A HA -0.192 4.168 4.320 0.066 0.000 0.217 469 A C 1.933 179.677 177.584 0.265 0.000 1.181 469 A CA 1.416 53.502 52.037 0.081 0.000 0.623 469 A CB -0.266 18.649 19.000 -0.142 0.000 0.818 469 A HN 0.171 nan 8.150 nan 0.000 0.443 470 E N -0.051 120.266 120.200 0.194 0.000 2.110 470 E HA -0.212 4.177 4.350 0.066 0.000 0.193 470 E C 2.186 178.882 176.600 0.160 0.000 0.988 470 E CA 1.367 57.875 56.400 0.180 0.000 0.804 470 E CB -0.347 29.424 29.700 0.118 0.000 0.745 470 E HN 0.782 nan 8.360 nan 0.000 0.458 471 Q N 0.267 120.150 119.800 0.138 0.000 2.124 471 Q HA -0.213 4.167 4.340 0.066 0.000 0.202 471 Q C 2.202 178.291 176.000 0.147 0.000 0.977 471 Q CA 1.392 57.270 55.803 0.126 0.000 0.850 471 Q CB -0.100 28.694 28.738 0.093 0.000 0.901 471 Q HN 0.098 nan 8.270 nan 0.000 0.429 472 Q N 0.917 120.829 119.800 0.187 0.000 2.050 472 Q HA -0.176 4.203 4.340 0.066 0.000 0.202 472 Q C 1.842 177.968 176.000 0.211 0.000 0.980 472 Q CA 1.190 57.129 55.803 0.226 0.000 0.840 472 Q CB -0.339 28.585 28.738 0.311 0.000 0.898 472 Q HN 0.318 nan 8.270 nan 0.000 0.424 473 L N 0.670 122.004 121.223 0.186 0.000 2.012 473 L HA -0.187 4.193 4.340 0.066 0.000 0.210 473 L C 1.882 178.714 176.870 -0.064 0.000 1.073 473 L CA 2.532 57.321 54.840 -0.085 0.000 0.748 473 L CB -0.876 41.091 42.059 -0.154 0.000 0.891 473 L HN 0.401 nan 8.230 nan 0.000 0.431 474 D N -0.765 119.668 120.400 0.054 0.000 2.097 474 D HA -0.269 4.411 4.640 0.066 0.000 0.195 474 D C 2.259 178.622 176.300 0.106 0.000 0.989 474 D CA 1.577 55.647 54.000 0.117 0.000 0.827 474 D CB -0.118 40.817 40.800 0.226 0.000 0.966 474 D HN 0.337 nan 8.370 nan 0.000 0.456 475 K N -0.058 120.411 120.400 0.115 0.000 2.063 475 K HA -0.169 4.191 4.320 0.066 0.000 0.208 475 K C 0.925 177.570 176.600 0.075 0.000 1.048 475 K CA 1.764 58.113 56.287 0.102 0.000 0.928 475 K CB -0.023 32.544 32.500 0.111 0.000 0.713 475 K HN 0.103 nan 8.250 nan 0.000 0.442 476 D N 0.270 120.715 120.400 0.076 0.000 2.355 476 D HA 0.012 4.692 4.640 0.066 0.000 0.218 476 D C -0.187 176.119 176.300 0.009 0.000 1.004 476 D CA 0.443 54.490 54.000 0.079 0.000 0.880 476 D CB 0.315 41.241 40.800 0.209 0.000 0.911 476 D HN 0.107 nan 8.370 nan 0.000 0.528 477 S N 0.041 115.719 115.700 -0.036 0.000 3.550 477 S HA -0.250 4.260 4.470 0.066 0.000 0.372 477 S C 1.444 175.976 174.600 -0.114 0.000 0.966 477 S CA 0.299 58.455 58.200 -0.074 0.000 1.229 477 S CB -1.285 61.872 63.200 -0.071 0.000 0.917 477 S HN 0.526 nan 8.310 nan 0.000 0.496 478 A N 0.394 123.065 122.820 -0.249 0.000 1.908 478 A HA 0.213 4.572 4.320 0.066 0.000 0.218 478 A C 1.020 178.458 177.584 -0.245 0.000 1.181 478 A CA 1.586 53.394 52.037 -0.381 0.000 0.627 478 A CB -0.442 17.963 19.000 -0.992 0.000 0.818 478 A HN 1.090 nan 8.150 nan 0.000 0.445 479 I N -5.629 114.815 120.570 -0.210 0.000 3.322 479 I HA 0.661 4.870 4.170 0.066 0.000 0.313 479 I C -1.047 175.099 176.117 0.049 0.000 1.129 479 I CA -1.301 59.966 61.300 -0.054 0.000 0.963 479 I CB 2.249 40.176 38.000 -0.122 0.000 1.273 479 I HN -0.239 nan 8.210 nan 0.000 0.473 480 V N 2.203 122.237 119.914 0.201 0.000 2.284 480 V HA 0.397 4.556 4.120 0.066 0.000 0.274 480 V C -2.412 173.858 176.094 0.292 0.000 1.023 480 V CA -1.539 60.915 62.300 0.257 0.000 0.808 480 V CB 0.472 32.542 31.823 0.411 0.000 1.035 480 V HN 0.579 nan 8.190 nan 0.000 0.445 481 P HA 0.155 nan 4.420 nan 0.000 0.268 481 P C 0.485 177.893 177.300 0.181 0.000 1.204 481 P CA 0.414 63.620 63.100 0.175 0.000 0.768 481 P CB 1.483 33.253 31.700 0.117 0.000 0.842 482 V N 2.787 122.761 119.914 0.100 0.000 2.870 482 V HA 0.200 4.359 4.120 0.066 0.000 0.232 482 V C -0.062 176.032 176.094 0.000 0.000 1.161 482 V CA 1.058 63.402 62.300 0.074 0.000 1.204 482 V CB -0.524 31.324 31.823 0.041 0.000 1.003 482 V HN 0.559 nan 8.190 nan 0.000 0.499 483 Y N -2.381 117.840 120.300 -0.132 0.000 2.638 483 Y HA 0.718 5.306 4.550 0.065 0.000 0.335 483 Y C -1.440 174.303 175.900 -0.261 0.000 1.155 483 Y CA -2.475 55.459 58.100 -0.277 0.000 1.046 483 Y CB 0.567 38.907 38.460 -0.201 0.000 1.303 483 Y HN 0.111 nan 8.280 nan 0.000 0.460 484 Y N 1.285 121.810 120.300 0.376 0.000 2.313 484 Y HA 0.434 5.024 4.550 0.067 0.000 0.332 484 Y C -0.454 175.765 175.900 0.531 0.000 1.071 484 Y CA -0.835 57.492 58.100 0.377 0.000 1.169 484 Y CB 0.621 39.289 38.460 0.347 0.000 1.192 484 Y HN 0.521 nan 8.280 nan 0.000 0.487 485 Y N 1.697 122.311 120.300 0.522 0.000 2.357 485 Y HA 0.312 4.902 4.550 0.067 0.000 0.340 485 Y C 0.463 176.582 175.900 0.365 0.000 1.260 485 Y CA -1.005 57.374 58.100 0.465 0.000 1.425 485 Y CB 0.440 39.121 38.460 0.368 0.000 1.326 485 Y HN 0.345 nan 8.280 nan 0.000 0.580 486 V N -0.071 120.105 119.914 0.437 0.000 2.732 486 V HA 0.455 4.615 4.120 0.066 0.000 0.310 486 V C -0.289 176.027 176.094 0.370 0.000 1.053 486 V CA -1.333 61.151 62.300 0.306 0.000 0.957 486 V CB 1.793 33.683 31.823 0.112 0.000 1.018 486 V HN 0.728 nan 8.190 nan 0.000 0.452 487 N N 2.462 121.265 118.700 0.172 0.000 2.602 487 N HA 0.487 5.267 4.740 0.066 0.000 0.238 487 N C -0.314 175.139 175.510 -0.095 0.000 1.084 487 N CA 0.112 53.062 53.050 -0.168 0.000 0.952 487 N CB 0.554 38.697 38.487 -0.574 0.000 1.244 487 N HN 1.129 nan 8.380 nan 0.000 0.512 488 A N 4.033 126.817 122.820 -0.060 0.000 2.271 488 A HA 0.769 5.129 4.320 0.066 0.000 0.317 488 A C -0.096 177.431 177.584 -0.096 0.000 1.245 488 A CA -0.652 51.353 52.037 -0.053 0.000 0.857 488 A CB 0.497 19.427 19.000 -0.117 0.000 1.175 488 A HN 0.804 nan 8.150 nan 0.000 0.512 489 R N 1.497 121.942 120.500 -0.091 0.000 2.752 489 R HA 0.753 5.132 4.340 0.066 0.000 0.271 489 R C -1.770 174.406 176.300 -0.207 0.000 1.026 489 R CA -0.963 55.035 56.100 -0.171 0.000 0.901 489 R CB 0.956 31.110 30.300 -0.243 0.000 1.243 489 R HN 0.402 nan 8.270 nan 0.000 0.463 490 L N 1.199 122.201 121.223 -0.368 0.000 2.322 490 L HA 0.740 5.119 4.340 0.066 0.000 0.279 490 L C -0.748 175.850 176.870 -0.452 0.000 1.036 490 L CA -1.361 53.151 54.840 -0.548 0.000 0.807 490 L CB 1.974 43.322 42.059 -1.185 0.000 1.226 490 L HN 0.344 nan 8.230 nan 0.000 0.433 491 V N 2.668 122.447 119.914 -0.225 0.000 2.569 491 V HA 0.316 4.475 4.120 0.066 0.000 0.301 491 V C -0.085 175.933 176.094 -0.127 0.000 1.044 491 V CA -1.115 61.098 62.300 -0.145 0.000 0.874 491 V CB 1.922 33.615 31.823 -0.216 0.000 1.002 491 V HN 0.608 nan 8.190 nan 0.000 0.424 492 K N 4.742 124.967 120.400 -0.291 0.000 2.380 492 K HA 0.202 4.561 4.320 0.066 0.000 0.267 492 K C -1.653 174.504 176.600 -0.739 0.000 0.990 492 K CA -1.515 54.280 56.287 -0.820 0.000 0.946 492 K CB 0.968 32.415 32.500 -1.756 0.000 0.937 492 K HN 0.296 nan 8.250 nan 0.000 0.491 493 P HA -0.095 nan 4.420 nan 0.000 0.222 493 P C 0.649 177.837 177.300 -0.186 0.000 1.147 493 P CA 1.065 63.986 63.100 -0.298 0.000 0.790 493 P CB -0.059 31.557 31.700 -0.141 0.000 0.780 494 W N -1.756 119.432 121.300 -0.187 0.000 3.256 494 W HA 0.314 5.014 4.660 0.066 0.000 0.269 494 W C -0.449 175.979 176.519 -0.151 0.000 1.310 494 W CA -0.228 57.009 57.345 -0.180 0.000 1.673 494 W CB -1.205 28.005 29.460 -0.417 0.000 1.115 494 W HN -0.393 nan 8.180 nan 0.000 0.686 495 V N 3.180 122.967 119.914 -0.213 0.000 2.372 495 V HA 0.568 4.728 4.120 0.066 0.000 0.261 495 V C 0.954 176.888 176.094 -0.267 0.000 1.055 495 V CA -0.260 61.928 62.300 -0.186 0.000 0.930 495 V CB -0.061 31.620 31.823 -0.237 0.000 1.031 495 V HN 0.209 nan 8.190 nan 0.000 0.479 496 G N 2.708 111.179 108.800 -0.548 0.000 2.477 496 G HA2 0.555 4.555 3.960 0.066 0.000 0.304 496 G HA3 0.555 4.555 3.960 0.066 0.000 0.304 496 G C 0.859 175.273 174.900 -0.810 0.000 1.175 496 G CA 0.156 44.697 45.100 -0.931 0.000 0.907 496 G HN 1.447 nan 8.290 nan 0.000 0.509 497 G N -1.293 107.292 108.800 -0.357 0.000 2.194 497 G HA2 -0.258 3.741 3.960 0.066 0.000 0.236 497 G HA3 -0.258 3.741 3.960 0.066 0.000 0.236 497 G C 0.194 175.124 174.900 0.050 0.000 0.987 497 G CA 0.582 45.653 45.100 -0.047 0.000 0.635 497 G HN 1.116 nan 8.290 nan 0.000 0.520 498 Y N 2.917 123.153 120.300 -0.106 0.000 2.518 498 Y HA 0.447 5.053 4.550 0.093 0.000 0.344 498 Y C 1.865 177.730 175.900 -0.059 0.000 0.982 498 Y CA 0.569 58.623 58.100 -0.076 0.000 1.234 498 Y CB 1.015 39.410 38.460 -0.107 0.000 1.114 498 Y HN 0.250 nan 8.280 nan 0.000 0.515 499 T N 0.716 115.057 114.554 -0.354 0.000 2.851 499 T HA 0.088 4.478 4.350 0.066 0.000 0.262 499 T C 1.669 176.114 174.700 -0.424 0.000 1.043 499 T CA 0.966 62.897 62.100 -0.282 0.000 1.140 499 T CB -0.462 68.308 68.868 -0.163 0.000 0.872 499 T HN 1.228 nan 8.240 nan 0.000 0.446 500 G N 1.150 109.497 108.800 -0.756 0.000 2.179 500 G HA2 -0.249 3.751 3.960 0.066 0.000 0.260 500 G HA3 -0.249 3.751 3.960 0.066 0.000 0.260 500 G C 0.957 175.677 174.900 -0.299 0.000 0.977 500 G CA 0.447 45.185 45.100 -0.603 0.000 0.641 500 G HN 0.493 nan 8.290 nan 0.000 0.533 501 K N 0.312 120.566 120.400 -0.243 0.000 2.365 501 K HA 0.033 4.392 4.320 0.066 0.000 0.197 501 K C 0.626 177.159 176.600 -0.113 0.000 1.042 501 K CA 0.467 56.672 56.287 -0.136 0.000 0.987 501 K CB 0.046 32.483 32.500 -0.105 0.000 0.779 501 K HN 0.483 nan 8.250 nan 0.000 0.484 502 D N 1.871 122.194 120.400 -0.129 0.000 2.325 502 D HA 0.034 4.714 4.640 0.066 0.000 0.251 502 D C -1.606 174.685 176.300 -0.015 0.000 1.196 502 D CA -2.183 51.776 54.000 -0.069 0.000 0.866 502 D CB 1.388 42.160 40.800 -0.045 0.000 1.101 502 D HN -0.060 nan 8.370 nan 0.000 0.476 503 P HA -0.048 nan 4.420 nan 0.000 0.233 503 P C 1.182 178.604 177.300 0.203 0.000 1.167 503 P CA 0.486 63.665 63.100 0.131 0.000 0.770 503 P CB 0.438 32.217 31.700 0.132 0.000 0.837 504 L N -1.026 120.275 121.223 0.130 0.000 2.529 504 L HA 0.132 4.512 4.340 0.066 0.000 0.223 504 L C 0.534 177.495 176.870 0.151 0.000 1.113 504 L CA 0.258 55.179 54.840 0.136 0.000 0.861 504 L CB -0.989 41.114 42.059 0.073 0.000 1.012 504 L HN 0.002 nan 8.230 nan 0.000 0.461 505 D N 1.504 121.951 120.400 0.078 0.000 2.689 505 D HA -0.200 4.480 4.640 0.066 0.000 0.237 505 D C 0.020 176.332 176.300 0.020 0.000 1.148 505 D CA 0.313 54.319 54.000 0.010 0.000 0.656 505 D CB -0.910 39.827 40.800 -0.106 0.000 1.050 505 D HN 0.125 nan 8.370 nan 0.000 0.426 506 N N 1.297 120.016 118.700 0.031 0.000 2.968 506 N HA 0.099 4.879 4.740 0.066 0.000 0.271 506 N C 0.052 175.542 175.510 -0.034 0.000 1.174 506 N CA -0.203 52.834 53.050 -0.021 0.000 1.096 506 N CB 0.099 38.627 38.487 0.068 0.000 1.403 506 N HN 0.313 nan 8.380 nan 0.000 0.522 507 I N 1.832 122.363 120.570 -0.065 0.000 2.519 507 I HA 0.120 4.330 4.170 0.066 0.000 0.287 507 I C 0.137 176.161 176.117 -0.155 0.000 1.047 507 I CA -0.554 60.761 61.300 0.025 0.000 1.381 507 I CB -0.179 37.864 38.000 0.072 0.000 1.417 507 I HN 0.190 nan 8.210 nan 0.000 0.540 508 Y N 4.057 124.402 120.300 0.076 0.000 2.328 508 Y HA 0.288 4.875 4.550 0.061 0.000 0.336 508 Y C 1.081 177.029 175.900 0.081 0.000 0.960 508 Y CA -0.653 57.491 58.100 0.073 0.000 1.134 508 Y CB 1.615 40.122 38.460 0.079 0.000 1.166 508 Y HN 0.259 nan 8.280 nan 0.000 0.464 509 V N 3.207 123.219 119.914 0.165 0.000 2.759 509 V HA -0.273 3.886 4.120 0.066 0.000 0.256 509 V C 2.062 178.305 176.094 0.248 0.000 1.080 509 V CA 2.000 64.355 62.300 0.092 0.000 1.101 509 V CB -0.539 31.183 31.823 -0.167 0.000 0.698 509 V HN 0.800 nan 8.190 nan 0.000 0.477 510 K N 0.332 120.952 120.400 0.366 0.000 2.360 510 K HA -0.161 4.199 4.320 0.066 0.000 0.201 510 K C 1.260 177.974 176.600 0.191 0.000 1.046 510 K CA 1.646 58.091 56.287 0.262 0.000 0.945 510 K CB -0.295 32.280 32.500 0.124 0.000 0.750 510 K HN 0.406 nan 8.250 nan 0.000 0.464 511 N N 0.617 119.439 118.700 0.203 0.000 2.336 511 N HA 0.154 4.934 4.740 0.066 0.000 0.189 511 N C 0.234 175.866 175.510 0.203 0.000 1.113 511 N CA 0.252 53.414 53.050 0.187 0.000 0.858 511 N CB 0.232 38.829 38.487 0.183 0.000 0.970 511 N HN 0.187 nan 8.380 nan 0.000 0.471 512 L N 0.184 121.509 121.223 0.171 0.000 2.376 512 L HA 0.473 4.853 4.340 0.066 0.000 0.267 512 L C -0.691 176.288 176.870 0.182 0.000 1.035 512 L CA -1.164 53.724 54.840 0.078 0.000 0.800 512 L CB 0.895 42.958 42.059 0.008 0.000 1.290 512 L HN 0.084 nan 8.230 nan 0.000 0.462 513 Y N -1.417 118.934 120.300 0.086 0.000 2.592 513 Y HA 0.581 5.159 4.550 0.047 0.000 0.334 513 Y C -1.264 174.701 175.900 0.109 0.000 1.136 513 Y CA -1.414 56.739 58.100 0.088 0.000 1.042 513 Y CB 0.810 39.317 38.460 0.078 0.000 1.325 513 Y HN 0.103 nan 8.280 nan 0.000 0.457 514 I N 4.335 125.073 120.570 0.280 0.000 2.312 514 I HA 0.344 4.554 4.170 0.066 0.000 0.290 514 I C 0.078 176.385 176.117 0.318 0.000 1.008 514 I CA -1.146 60.311 61.300 0.262 0.000 1.226 514 I CB 0.854 38.986 38.000 0.220 0.000 1.371 514 I HN 0.648 nan 8.210 nan 0.000 0.468 515 I N 5.249 126.026 120.570 0.346 0.000 2.519 515 I HA 0.113 4.322 4.170 0.066 0.000 0.287 515 I C 0.991 177.283 176.117 0.293 0.000 1.047 515 I CA -0.569 60.923 61.300 0.320 0.000 1.381 515 I CB 0.522 38.706 38.000 0.307 0.000 1.417 515 I HN 0.511 nan 8.210 nan 0.000 0.540 516 K N 6.588 127.095 120.400 0.178 0.000 2.511 516 K HA -0.010 4.349 4.320 0.066 0.000 0.280 516 K C -0.393 176.284 176.600 0.127 0.000 1.008 516 K CA 0.420 56.756 56.287 0.081 0.000 1.050 516 K CB 0.280 32.795 32.500 0.026 0.000 0.889 516 K HN 0.718 nan 8.250 nan 0.000 0.484 517 H N 0.000 118.998 119.070 -0.120 0.000 2.539 517 H HA 0.000 4.596 4.556 0.067 0.000 0.296 517 H CA 0.000 55.964 56.048 -0.140 0.000 1.023 517 H CB 0.000 29.658 29.762 -0.174 0.000 1.292 517 H HN 0.000 nan 8.280 nan 0.000 0.496