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 1qkb_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 0.000 177.624 177.584 0.067 0.000 1.274 1 A CA 0.000 52.118 52.037 0.135 0.000 0.836 1 A CB 0.000 19.129 19.000 0.215 0.000 0.831 2 D N 1.985 122.430 120.400 0.076 0.000 2.477 2 D HA 0.405 5.084 4.640 0.066 0.000 0.239 2 D C -0.313 175.935 176.300 -0.087 0.000 1.102 2 D CA 0.035 54.040 54.000 0.008 0.000 0.901 2 D CB 1.567 42.393 40.800 0.044 0.000 1.026 2 D HN 0.276 nan 8.370 nan 0.000 0.515 3 V N 3.949 123.719 119.914 -0.240 0.000 2.439 3 V HA 0.144 4.304 4.120 0.066 0.000 0.271 3 V C -1.697 174.252 176.094 -0.242 0.000 1.040 3 V CA -1.193 60.807 62.300 -0.499 0.000 1.002 3 V CB 0.251 31.765 31.823 -0.515 0.000 1.000 3 V HN 0.293 nan 8.190 nan 0.000 0.477 4 P HA 0.172 nan 4.420 nan 0.000 0.266 4 P C -0.011 177.257 177.300 -0.054 0.000 1.195 4 P CA 0.008 63.076 63.100 -0.054 0.000 0.768 4 P CB 0.416 32.125 31.700 0.015 0.000 0.838 5 A N 2.776 125.580 122.820 -0.026 0.000 2.565 5 A HA 0.383 4.743 4.320 0.066 0.000 0.237 5 A C 1.609 179.188 177.584 -0.009 0.000 1.053 5 A CA 0.728 52.754 52.037 -0.019 0.000 0.755 5 A CB -1.208 17.787 19.000 -0.007 0.000 0.980 5 A HN 0.949 nan 8.150 nan 0.000 0.506 6 G N 0.368 109.163 108.800 -0.009 0.000 2.179 6 G HA2 -0.089 3.910 3.960 0.066 0.000 0.260 6 G HA3 -0.089 3.910 3.960 0.066 0.000 0.260 6 G C 0.627 175.534 174.900 0.012 0.000 0.977 6 G CA 0.738 45.840 45.100 0.003 0.000 0.641 6 G HN 2.394 nan 8.290 nan 0.000 0.533 7 V N -0.484 119.431 119.914 0.002 0.000 2.649 7 V HA 0.683 4.843 4.120 0.066 0.000 0.292 7 V C 0.259 176.368 176.094 0.024 0.000 1.055 7 V CA -0.465 61.855 62.300 0.033 0.000 1.023 7 V CB 1.523 33.386 31.823 0.067 0.000 0.992 7 V HN 0.347 nan 8.190 nan 0.000 0.480 8 Q N 4.709 124.541 119.800 0.052 0.000 2.296 8 Q HA 0.497 4.877 4.340 0.066 0.000 0.257 8 Q C -0.742 175.298 176.000 0.067 0.000 0.942 8 Q CA -0.372 55.457 55.803 0.042 0.000 0.939 8 Q CB 1.713 30.474 28.738 0.038 0.000 1.198 8 Q HN 0.784 nan 8.270 nan 0.000 0.429 9 L N 1.732 122.984 121.223 0.048 0.000 2.395 9 L HA 0.406 4.786 4.340 0.066 0.000 0.269 9 L C 0.428 177.331 176.870 0.056 0.000 1.133 9 L CA -0.579 54.308 54.840 0.079 0.000 0.812 9 L CB 0.825 42.918 42.059 0.057 0.000 1.125 9 L HN 0.623 nan 8.230 nan 0.000 0.452 10 A N 1.325 124.189 122.820 0.074 0.000 2.425 10 A HA 0.058 4.418 4.320 0.066 0.000 0.242 10 A C 0.651 178.234 177.584 -0.002 0.000 1.077 10 A CA -0.349 51.694 52.037 0.009 0.000 0.781 10 A CB 0.195 19.200 19.000 0.007 0.000 1.020 10 A HN 0.847 nan 8.150 nan 0.000 0.494 11 D N 0.197 120.574 120.400 -0.039 0.000 2.097 11 D HA -0.058 4.622 4.640 0.066 0.000 0.195 11 D C 0.638 176.927 176.300 -0.019 0.000 0.989 11 D CA 1.510 55.492 54.000 -0.030 0.000 0.827 11 D CB 0.083 40.854 40.800 -0.048 0.000 0.966 11 D HN 0.565 nan 8.370 nan 0.000 0.456 12 K N 1.319 121.700 120.400 -0.032 0.000 2.267 12 K HA 0.107 4.466 4.320 0.066 0.000 0.282 12 K C -0.501 176.106 176.600 0.011 0.000 1.078 12 K CA -0.258 56.019 56.287 -0.018 0.000 0.903 12 K CB 0.584 33.059 32.500 -0.041 0.000 1.111 12 K HN -0.160 nan 8.250 nan 0.000 0.475 13 Q N 3.264 123.084 119.800 0.033 0.000 2.771 13 Q HA 0.112 4.492 4.340 0.066 0.000 0.239 13 Q C -0.625 175.408 176.000 0.055 0.000 1.231 13 Q CA -0.137 55.704 55.803 0.063 0.000 1.056 13 Q CB 1.062 29.848 28.738 0.080 0.000 1.284 13 Q HN 0.720 nan 8.270 nan 0.000 0.558 14 T N -1.576 113.002 114.554 0.039 0.000 2.907 14 T HA 0.773 5.163 4.350 0.066 0.000 0.292 14 T C -0.712 173.993 174.700 0.008 0.000 1.043 14 T CA -0.879 61.230 62.100 0.015 0.000 1.003 14 T CB 1.883 70.751 68.868 0.000 0.000 1.084 14 T HN 0.222 nan 8.240 nan 0.000 0.483 15 L N 1.815 123.012 121.223 -0.044 0.000 2.422 15 L HA 0.805 5.185 4.340 0.066 0.000 0.264 15 L C -1.534 175.249 176.870 -0.144 0.000 0.984 15 L CA -0.698 54.094 54.840 -0.079 0.000 0.819 15 L CB 2.385 44.368 42.059 -0.127 0.000 1.330 15 L HN 0.727 nan 8.230 nan 0.000 0.410 16 V N 4.932 124.770 119.914 -0.126 0.000 2.407 16 V HA 0.618 4.778 4.120 0.066 0.000 0.291 16 V C -0.326 175.656 176.094 -0.186 0.000 1.018 16 V CA -0.574 61.633 62.300 -0.155 0.000 0.842 16 V CB 1.641 33.417 31.823 -0.077 0.000 0.996 16 V HN 0.700 nan 8.190 nan 0.000 0.426 17 R N 2.874 123.192 120.500 -0.304 0.000 2.562 17 R HA 0.467 4.846 4.340 0.066 0.000 0.298 17 R C -0.609 175.605 176.300 -0.143 0.000 0.961 17 R CA -0.860 55.081 56.100 -0.266 0.000 0.881 17 R CB 1.920 31.932 30.300 -0.479 0.000 1.159 17 R HN 0.679 nan 8.270 nan 0.000 0.450 18 N N 0.695 119.371 118.700 -0.039 0.000 2.524 18 N HA 0.038 4.817 4.740 0.066 0.000 0.283 18 N C -0.088 175.453 175.510 0.051 0.000 1.142 18 N CA -0.033 53.018 53.050 0.002 0.000 0.984 18 N CB 0.877 39.378 38.487 0.023 0.000 1.155 18 N HN 0.470 nan 8.380 nan 0.000 0.467 19 N N 1.092 119.761 118.700 -0.053 0.000 2.197 19 N HA 0.225 5.005 4.740 0.066 0.000 0.228 19 N C 0.686 175.747 175.510 -0.750 0.000 1.212 19 N CA 0.569 53.521 53.050 -0.164 0.000 0.883 19 N CB 0.188 38.653 38.487 -0.037 0.000 1.107 19 N HN 0.761 nan 8.380 nan 0.000 0.519 20 G N -0.183 108.112 108.800 -0.842 0.000 2.435 20 G HA2 -0.304 3.695 3.960 0.066 0.000 0.245 20 G HA3 -0.304 3.695 3.960 0.066 0.000 0.245 20 G C 0.103 174.623 174.900 -0.632 0.000 1.073 20 G CA 0.815 45.268 45.100 -1.078 0.000 0.638 20 G HN 1.028 nan 8.290 nan 0.000 0.521 21 S N -1.272 114.112 115.700 -0.525 0.000 2.636 21 S HA 0.549 5.059 4.470 0.066 0.000 0.266 21 S C -1.034 173.465 174.600 -0.167 0.000 1.147 21 S CA 0.104 58.118 58.200 -0.310 0.000 0.815 21 S CB 2.012 64.977 63.200 -0.392 0.000 1.119 21 S HN 1.075 nan 8.310 nan 0.000 0.470 22 E N 1.479 121.673 120.200 -0.009 0.000 2.344 22 E HA 0.418 4.808 4.350 0.066 0.000 0.270 22 E C 0.322 177.011 176.600 0.148 0.000 1.021 22 E CA -0.506 55.945 56.400 0.086 0.000 0.887 22 E CB 0.733 30.515 29.700 0.136 0.000 0.997 22 E HN 0.912 nan 8.360 nan 0.000 0.429 23 V N 2.637 122.615 119.914 0.108 0.000 2.963 23 V HA -0.014 4.146 4.120 0.066 0.000 0.306 23 V C 1.156 177.381 176.094 0.218 0.000 1.077 23 V CA -0.010 62.363 62.300 0.121 0.000 1.124 23 V CB 0.867 32.649 31.823 -0.069 0.000 0.987 23 V HN 0.867 nan 8.190 nan 0.000 0.487 24 Q N 1.502 121.430 119.800 0.213 0.000 2.050 24 Q HA 0.037 4.416 4.340 0.066 0.000 0.202 24 Q C 1.100 177.191 176.000 0.152 0.000 0.980 24 Q CA 1.851 57.747 55.803 0.154 0.000 0.840 24 Q CB 0.123 28.917 28.738 0.093 0.000 0.898 24 Q HN 0.977 nan 8.270 nan 0.000 0.424 25 S N -2.587 113.179 115.700 0.109 0.000 2.636 25 S HA 0.320 4.829 4.470 0.066 0.000 0.266 25 S C -0.923 173.629 174.600 -0.081 0.000 1.147 25 S CA -0.771 57.487 58.200 0.096 0.000 0.815 25 S CB 0.324 63.560 63.200 0.061 0.000 1.119 25 S HN 0.179 nan 8.310 nan 0.000 0.470 26 L N 1.242 122.368 121.223 -0.163 0.000 2.693 26 L HA 0.389 4.769 4.340 0.066 0.000 0.235 26 L C 0.121 176.874 176.870 -0.195 0.000 1.127 26 L CA -0.063 54.626 54.840 -0.252 0.000 0.914 26 L CB 0.275 42.098 42.059 -0.393 0.000 1.193 26 L HN 0.561 nan 8.230 nan 0.000 0.502 27 D N 1.452 121.745 120.400 -0.178 0.000 2.325 27 D HA 0.114 4.793 4.640 0.066 0.000 0.251 27 D C -1.709 174.530 176.300 -0.101 0.000 1.196 27 D CA -1.886 52.063 54.000 -0.084 0.000 0.866 27 D CB 1.981 42.844 40.800 0.106 0.000 1.101 27 D HN -0.125 nan 8.370 nan 0.000 0.476 28 P HA -0.108 nan 4.420 nan 0.000 0.219 28 P C 0.361 177.597 177.300 -0.107 0.000 1.146 28 P CA 1.277 64.211 63.100 -0.277 0.000 0.808 28 P CB 0.071 31.483 31.700 -0.480 0.000 0.779 29 H N -1.722 117.334 119.070 -0.023 0.000 2.539 29 H HA 0.174 4.769 4.556 0.066 0.000 0.269 29 H C 0.970 176.314 175.328 0.026 0.000 0.980 29 H CA 0.053 56.099 56.048 -0.003 0.000 1.152 29 H CB 0.328 30.091 29.762 0.002 0.000 1.407 29 H HN -0.044 nan 8.280 nan 0.000 0.564 30 K N 1.099 121.578 120.400 0.132 0.000 2.438 30 K HA 0.211 4.571 4.320 0.066 0.000 0.205 30 K C 0.070 176.712 176.600 0.070 0.000 1.033 30 K CA 0.037 56.380 56.287 0.092 0.000 1.089 30 K CB 0.839 33.392 32.500 0.088 0.000 0.857 30 K HN 0.385 nan 8.250 nan 0.000 0.522 31 I N -1.803 118.814 120.570 0.078 0.000 2.797 31 I HA 0.355 4.565 4.170 0.066 0.000 0.307 31 I C 0.495 176.726 176.117 0.191 0.000 1.033 31 I CA -0.632 60.716 61.300 0.080 0.000 1.071 31 I CB 1.956 39.959 38.000 0.005 0.000 1.255 31 I HN -0.010 nan 8.210 nan 0.000 0.445 32 E N 2.473 122.800 120.200 0.212 0.000 2.712 32 E HA 0.313 4.702 4.350 0.066 0.000 0.221 32 E C 0.225 177.000 176.600 0.291 0.000 0.943 32 E CA -0.370 56.271 56.400 0.400 0.000 1.259 32 E CB 0.877 30.769 29.700 0.320 0.000 1.167 32 E HN 0.839 nan 8.360 nan 0.000 0.569 33 G N 0.583 109.525 108.800 0.236 0.000 2.667 33 G HA2 0.394 4.394 3.960 0.066 0.000 0.310 33 G HA3 0.394 4.394 3.960 0.066 0.000 0.310 33 G C 0.794 175.800 174.900 0.177 0.000 1.259 33 G CA -0.466 44.835 45.100 0.336 0.000 1.019 33 G HN -0.052 nan 8.290 nan 0.000 0.496 34 V N 1.098 121.111 119.914 0.166 0.000 2.295 34 V HA -0.085 4.075 4.120 0.066 0.000 0.246 34 V C -0.154 175.947 176.094 0.012 0.000 1.049 34 V CA 2.179 64.511 62.300 0.052 0.000 1.024 34 V CB -0.896 30.978 31.823 0.085 0.000 0.648 34 V HN 0.518 nan 8.190 nan 0.000 0.447 35 P HA -0.114 nan 4.420 nan 0.000 0.216 35 P C 1.463 178.670 177.300 -0.155 0.000 1.153 35 P CA 1.229 64.229 63.100 -0.167 0.000 0.848 35 P CB 0.046 31.524 31.700 -0.369 0.000 0.787 36 E N -0.706 119.467 120.200 -0.044 0.000 2.051 36 E HA -0.106 4.284 4.350 0.066 0.000 0.192 36 E C 2.145 178.639 176.600 -0.177 0.000 0.991 36 E CA 1.447 57.793 56.400 -0.090 0.000 0.799 36 E CB -1.029 28.677 29.700 0.010 0.000 0.748 36 E HN 0.119 nan 8.360 nan 0.000 0.449 37 S N 0.782 116.385 115.700 -0.161 0.000 2.402 37 S HA -0.087 4.422 4.470 0.066 0.000 0.229 37 S C 1.563 176.012 174.600 -0.251 0.000 1.021 37 S CA 0.694 58.756 58.200 -0.230 0.000 0.974 37 S CB -0.257 62.797 63.200 -0.243 0.000 0.800 37 S HN 0.240 nan 8.310 nan 0.000 0.484 38 N N 1.504 120.061 118.700 -0.238 0.000 2.069 38 N HA -0.068 4.712 4.740 0.066 0.000 0.191 38 N C 1.711 176.945 175.510 -0.460 0.000 1.031 38 N CA 1.106 53.992 53.050 -0.272 0.000 0.852 38 N CB -0.683 37.687 38.487 -0.194 0.000 1.018 38 N HN 0.229 nan 8.380 nan 0.000 0.423 39 V N 0.187 119.731 119.914 -0.616 0.000 2.379 39 V HA -0.108 4.052 4.120 0.066 0.000 0.245 39 V C 2.447 178.323 176.094 -0.364 0.000 1.044 39 V CA 1.405 63.279 62.300 -0.709 0.000 1.036 39 V CB -0.684 30.711 31.823 -0.713 0.000 0.664 39 V HN 0.292 nan 8.190 nan 0.000 0.453 40 S N -0.272 115.278 115.700 -0.251 0.000 2.383 40 S HA -0.229 4.281 4.470 0.066 0.000 0.229 40 S C 2.173 176.730 174.600 -0.072 0.000 1.030 40 S CA 1.632 59.784 58.200 -0.080 0.000 1.002 40 S CB -0.257 62.884 63.200 -0.099 0.000 0.829 40 S HN 0.551 nan 8.310 nan 0.000 0.467 41 R N 0.450 120.836 120.500 -0.190 0.000 2.152 41 R HA -0.036 4.343 4.340 0.066 0.000 0.232 41 R C 1.515 177.766 176.300 -0.083 0.000 1.117 41 R CA 1.427 57.399 56.100 -0.214 0.000 0.981 41 R CB -0.283 29.642 30.300 -0.626 0.000 0.870 41 R HN 0.415 nan 8.270 nan 0.000 0.451 42 D N 0.214 120.558 120.400 -0.094 0.000 2.234 42 D HA -0.031 4.649 4.640 0.066 0.000 0.205 42 D C 1.776 178.067 176.300 -0.016 0.000 0.962 42 D CA 0.888 54.906 54.000 0.030 0.000 0.855 42 D CB 0.254 41.039 40.800 -0.026 0.000 0.951 42 D HN 0.216 nan 8.370 nan 0.000 0.500 43 L N -1.394 119.740 121.223 -0.149 0.000 2.388 43 L HA 0.159 4.538 4.340 0.066 0.000 0.209 43 L C 0.008 176.542 176.870 -0.560 0.000 1.061 43 L CA 0.334 54.939 54.840 -0.391 0.000 0.834 43 L CB 0.302 41.990 42.059 -0.618 0.000 1.029 43 L HN -0.170 nan 8.230 nan 0.000 0.473 44 F N -0.028 119.935 119.950 0.021 0.000 2.493 44 F HA 0.398 4.964 4.527 0.065 0.000 0.329 44 F C 0.037 175.872 175.800 0.057 0.000 1.126 44 F CA -0.843 57.185 58.000 0.048 0.000 0.937 44 F CB 1.641 40.681 39.000 0.065 0.000 1.146 44 F HN -0.188 nan 8.300 nan 0.000 0.442 45 E N 1.926 122.259 120.200 0.223 0.000 2.176 45 E HA 0.621 5.011 4.350 0.066 0.000 0.267 45 E C -0.080 176.696 176.600 0.293 0.000 0.893 45 E CA -0.555 55.999 56.400 0.257 0.000 0.761 45 E CB 1.530 31.408 29.700 0.297 0.000 1.133 45 E HN 0.814 nan 8.360 nan 0.000 0.409 46 G N 2.920 111.905 108.800 0.308 0.000 2.543 46 G HA2 0.143 4.142 3.960 0.066 0.000 0.267 46 G HA3 0.143 4.142 3.960 0.066 0.000 0.267 46 G C 0.855 175.900 174.900 0.243 0.000 1.406 46 G CA -0.491 44.846 45.100 0.395 0.000 1.048 46 G HN 0.599 nan 8.290 nan 0.000 0.548 47 L N -1.327 119.896 121.223 -0.001 0.000 2.017 47 L HA 0.049 4.429 4.340 0.066 0.000 0.208 47 L C 0.529 177.321 176.870 -0.130 0.000 1.073 47 L CA 0.805 55.457 54.840 -0.313 0.000 0.745 47 L CB -0.455 41.184 42.059 -0.701 0.000 0.894 47 L HN 0.106 nan 8.230 nan 0.000 0.432 48 L N -1.369 119.803 121.223 -0.085 0.000 2.301 48 L HA 0.553 4.933 4.340 0.066 0.000 0.264 48 L C -0.309 176.634 176.870 0.122 0.000 1.016 48 L CA -0.480 54.359 54.840 -0.000 0.000 0.821 48 L CB 2.010 44.009 42.059 -0.099 0.000 1.346 48 L HN -0.043 nan 8.230 nan 0.000 0.429 49 I N -3.244 117.424 120.570 0.163 0.000 3.145 49 I HA 0.689 4.899 4.170 0.066 0.000 0.313 49 I C -0.516 175.696 176.117 0.158 0.000 1.122 49 I CA -0.737 60.662 61.300 0.165 0.000 0.987 49 I CB 2.246 40.227 38.000 -0.030 0.000 1.236 49 I HN 0.339 nan 8.210 nan 0.000 0.453 50 S N 1.862 117.690 115.700 0.212 0.000 2.565 50 S HA 0.227 4.736 4.470 0.066 0.000 0.274 50 S C -0.458 174.195 174.600 0.087 0.000 1.309 50 S CA -0.616 57.710 58.200 0.211 0.000 1.043 50 S CB 0.775 64.160 63.200 0.309 0.000 0.939 50 S HN 0.800 nan 8.310 nan 0.000 0.504 51 D N 0.784 121.260 120.400 0.128 0.000 2.398 51 D HA 0.029 4.708 4.640 0.066 0.000 0.264 51 D C 1.581 177.936 176.300 0.092 0.000 1.263 51 D CA -0.585 53.475 54.000 0.100 0.000 1.037 51 D CB -0.335 40.574 40.800 0.181 0.000 1.101 51 D HN 0.270 nan 8.370 nan 0.000 0.551 52 V N -3.143 116.826 119.914 0.092 0.000 3.078 52 V HA -0.042 4.118 4.120 0.066 0.000 0.265 52 V C 1.339 177.444 176.094 0.018 0.000 1.122 52 V CA 1.358 63.708 62.300 0.083 0.000 1.141 52 V CB -1.189 30.687 31.823 0.087 0.000 0.735 52 V HN 0.517 nan 8.190 nan 0.000 0.498 53 E N 0.406 120.584 120.200 -0.036 0.000 2.498 53 E HA 0.394 4.783 4.350 0.066 0.000 0.203 53 E C 1.612 178.032 176.600 -0.299 0.000 1.013 53 E CA 0.462 56.758 56.400 -0.174 0.000 0.927 53 E CB 0.773 30.371 29.700 -0.170 0.000 1.012 53 E HN 0.738 nan 8.360 nan 0.000 0.482 54 G N 1.586 110.288 108.800 -0.162 0.000 2.176 54 G HA2 -0.241 3.759 3.960 0.066 0.000 0.232 54 G HA3 -0.241 3.759 3.960 0.066 0.000 0.232 54 G C -0.145 174.738 174.900 -0.029 0.000 0.986 54 G CA -0.143 44.916 45.100 -0.068 0.000 0.643 54 G HN 0.413 nan 8.290 nan 0.000 0.522 55 H N 1.743 120.905 119.070 0.153 0.000 2.764 55 H HA 0.408 4.985 4.556 0.035 0.000 0.341 55 H C -2.173 173.286 175.328 0.218 0.000 1.072 55 H CA -1.176 54.982 56.048 0.184 0.000 1.444 55 H CB 0.693 30.560 29.762 0.176 0.000 1.458 55 H HN 0.134 nan 8.280 nan 0.000 0.572 56 P HA -0.009 nan 4.420 nan 0.000 0.267 56 P C -0.749 176.802 177.300 0.419 0.000 1.205 56 P CA 0.231 63.553 63.100 0.370 0.000 0.765 56 P CB 0.842 32.815 31.700 0.456 0.000 0.828 57 S N 2.602 118.524 115.700 0.369 0.000 2.638 57 S HA 0.691 5.201 4.470 0.066 0.000 0.274 57 S C -3.191 171.668 174.600 0.432 0.000 1.157 57 S CA -2.271 56.173 58.200 0.406 0.000 0.826 57 S CB 1.019 64.394 63.200 0.292 0.000 1.139 57 S HN 0.027 nan 8.310 nan 0.000 0.474 58 P HA 0.301 nan 4.420 nan 0.000 0.264 58 P C 0.323 177.825 177.300 0.337 0.000 1.193 58 P CA 0.382 63.765 63.100 0.472 0.000 0.763 58 P CB 0.435 32.336 31.700 0.335 0.000 0.810 59 G N 1.489 110.449 108.800 0.266 0.000 3.306 59 G HA2 0.122 4.122 3.960 0.066 0.000 0.202 59 G HA3 0.122 4.122 3.960 0.066 0.000 0.202 59 G C 1.005 176.015 174.900 0.183 0.000 1.673 59 G CA -0.268 45.009 45.100 0.295 0.000 0.776 59 G HN 0.260 nan 8.290 nan 0.000 0.740 60 V N 1.864 121.861 119.914 0.138 0.000 2.515 60 V HA 0.156 4.316 4.120 0.066 0.000 0.250 60 V C 1.868 177.914 176.094 -0.079 0.000 1.058 60 V CA 1.360 63.660 62.300 -0.001 0.000 1.064 60 V CB -0.766 31.126 31.823 0.116 0.000 0.675 60 V HN 0.611 nan 8.190 nan 0.000 0.461 61 A N 0.969 123.786 122.820 -0.005 0.000 2.404 61 A HA 0.250 4.610 4.320 0.066 0.000 0.273 61 A C 1.299 179.039 177.584 0.260 0.000 1.144 61 A CA -0.087 52.047 52.037 0.162 0.000 0.806 61 A CB 0.080 19.271 19.000 0.320 0.000 1.080 61 A HN 0.650 nan 8.150 nan 0.000 0.509 62 E N 2.798 123.084 120.200 0.144 0.000 2.230 62 E HA 0.007 4.397 4.350 0.066 0.000 0.192 62 E C 0.314 176.979 176.600 0.109 0.000 0.987 62 E CA 0.860 57.300 56.400 0.067 0.000 0.841 62 E CB -0.128 29.521 29.700 -0.085 0.000 0.783 62 E HN 0.723 nan 8.360 nan 0.000 0.481 63 K N -0.331 120.198 120.400 0.215 0.000 2.556 63 K HA 0.513 4.872 4.320 0.066 0.000 0.274 63 K C -1.856 174.960 176.600 0.359 0.000 0.966 63 K CA -1.103 55.184 56.287 0.000 0.000 0.865 63 K CB 1.290 33.726 32.500 -0.108 0.000 1.444 63 K HN 0.151 nan 8.250 nan 0.000 0.433 64 W N -0.015 121.369 121.300 0.141 0.000 3.137 64 W HA 0.659 5.354 4.660 0.058 0.000 0.324 64 W C -1.522 174.961 176.519 -0.059 0.000 1.253 64 W CA -0.578 56.762 57.345 -0.008 0.000 1.183 64 W CB 1.098 30.484 29.460 -0.124 0.000 1.424 64 W HN 0.628 nan 8.180 nan 0.000 0.566 65 E N 1.183 121.407 120.200 0.040 0.000 2.433 65 E HA 0.520 4.910 4.350 0.066 0.000 0.273 65 E C -1.288 175.146 176.600 -0.276 0.000 0.950 65 E CA -1.186 55.156 56.400 -0.097 0.000 0.796 65 E CB 2.050 31.688 29.700 -0.103 0.000 1.330 65 E HN 0.521 nan 8.360 nan 0.000 0.455 66 N N -0.716 117.704 118.700 -0.467 0.000 2.242 66 N HA 0.357 5.137 4.740 0.066 0.000 0.292 66 N C -1.548 173.599 175.510 -0.604 0.000 1.125 66 N CA -1.056 51.487 53.050 -0.844 0.000 0.783 66 N CB 1.787 39.255 38.487 -1.698 0.000 1.558 66 N HN 0.271 nan 8.380 nan 0.000 0.472 67 K N 1.365 121.442 120.400 -0.538 0.000 2.367 67 K HA 0.222 4.581 4.320 0.066 0.000 0.263 67 K C -0.854 175.511 176.600 -0.392 0.000 1.000 67 K CA -0.366 55.689 56.287 -0.386 0.000 0.891 67 K CB 0.300 32.647 32.500 -0.254 0.000 1.117 67 K HN 0.676 nan 8.250 nan 0.000 0.443 68 D N 4.294 124.420 120.400 -0.457 0.000 2.983 68 D HA -0.227 4.452 4.640 0.066 0.000 0.225 68 D C -0.396 175.732 176.300 -0.288 0.000 1.174 68 D CA 1.342 55.102 54.000 -0.400 0.000 0.831 68 D CB -1.177 39.517 40.800 -0.176 0.000 1.104 68 D HN 0.763 nan 8.370 nan 0.000 0.421 69 F N -2.267 117.565 119.950 -0.196 0.000 3.006 69 F HA -0.318 4.248 4.527 0.065 0.000 0.289 69 F C 1.589 177.474 175.800 0.142 0.000 0.772 69 F CA 1.429 59.411 58.000 -0.030 0.000 1.162 69 F CB -2.150 36.955 39.000 0.175 0.000 1.382 69 F HN 0.219 nan 8.300 nan 0.000 0.406 70 K N -1.118 119.307 120.400 0.041 0.000 2.424 70 K HA 0.407 4.766 4.320 0.066 0.000 0.198 70 K C 0.162 176.790 176.600 0.046 0.000 1.190 70 K CA 0.613 56.954 56.287 0.090 0.000 0.935 70 K CB 1.217 33.730 32.500 0.022 0.000 1.087 70 K HN -0.009 nan 8.250 nan 0.000 0.524 71 V N 1.830 121.663 119.914 -0.136 0.000 2.378 71 V HA 0.270 4.430 4.120 0.066 0.000 0.288 71 V C -1.485 174.468 176.094 -0.236 0.000 1.016 71 V CA -0.719 61.525 62.300 -0.094 0.000 0.840 71 V CB 0.796 32.553 31.823 -0.111 0.000 0.994 71 V HN 0.166 nan 8.190 nan 0.000 0.431 72 W N 2.512 123.754 121.300 -0.096 0.000 2.429 72 W HA 0.636 5.335 4.660 0.064 0.000 0.314 72 W C 0.223 176.546 176.519 -0.327 0.000 1.062 72 W CA -0.404 56.851 57.345 -0.150 0.000 1.211 72 W CB 1.908 31.439 29.460 0.117 0.000 1.305 72 W HN 0.373 nan 8.180 nan 0.000 0.476 73 T N 4.454 118.807 114.554 -0.334 0.000 2.791 73 T HA 0.465 4.855 4.350 0.066 0.000 0.288 73 T C -1.065 173.291 174.700 -0.572 0.000 0.999 73 T CA -0.507 61.378 62.100 -0.359 0.000 0.952 73 T CB 0.202 68.918 68.868 -0.254 0.000 0.938 73 T HN -0.031 nan 8.240 nan 0.000 0.444 74 F N 2.987 122.878 119.950 -0.098 0.000 2.411 74 F HA 0.319 4.885 4.527 0.064 0.000 0.352 74 F C 0.981 176.654 175.800 -0.212 0.000 1.123 74 F CA -1.007 56.978 58.000 -0.025 0.000 1.044 74 F CB 0.942 39.980 39.000 0.063 0.000 1.135 74 F HN 0.499 nan 8.300 nan 0.000 0.461 75 H N 5.511 124.748 119.070 0.278 0.000 2.761 75 H HA 0.288 4.882 4.556 0.065 0.000 0.284 75 H C -0.122 175.285 175.328 0.133 0.000 1.105 75 H CA -0.315 55.829 56.048 0.160 0.000 1.352 75 H CB 0.653 30.463 29.762 0.081 0.000 1.423 75 H HN 0.461 nan 8.280 nan 0.000 0.464 76 L N 4.152 125.483 121.223 0.182 0.000 2.367 76 L HA 0.219 4.599 4.340 0.066 0.000 0.275 76 L C 1.247 178.125 176.870 0.014 0.000 1.129 76 L CA -0.591 54.303 54.840 0.090 0.000 0.839 76 L CB 0.601 42.725 42.059 0.110 0.000 1.133 76 L HN 0.485 nan 8.230 nan 0.000 0.453 77 R N 1.700 122.127 120.500 -0.122 0.000 2.640 77 R HA -0.028 4.352 4.340 0.066 0.000 0.270 77 R C 0.386 176.556 176.300 -0.216 0.000 1.024 77 R CA -0.225 55.738 56.100 -0.229 0.000 1.085 77 R CB 0.665 30.695 30.300 -0.450 0.000 0.963 77 R HN 0.655 nan 8.270 nan 0.000 0.426 78 E N 1.194 121.224 120.200 -0.283 0.000 2.204 78 E HA -0.197 4.192 4.350 0.066 0.000 0.195 78 E C 0.761 177.276 176.600 -0.141 0.000 0.990 78 E CA 1.654 57.834 56.400 -0.367 0.000 0.821 78 E CB 0.107 29.613 29.700 -0.323 0.000 0.750 78 E HN 0.814 nan 8.360 nan 0.000 0.477 79 N N -0.065 118.575 118.700 -0.101 0.000 2.276 79 N HA 0.071 4.851 4.740 0.066 0.000 0.212 79 N C -0.617 174.914 175.510 0.034 0.000 1.127 79 N CA 0.149 53.193 53.050 -0.009 0.000 0.834 79 N CB 0.247 38.742 38.487 0.013 0.000 1.014 79 N HN -0.035 nan 8.380 nan 0.000 0.491 80 A N 0.748 123.558 122.820 -0.017 0.000 2.451 80 A HA 0.391 4.750 4.320 0.066 0.000 0.266 80 A C 0.040 177.664 177.584 0.067 0.000 1.119 80 A CA -0.038 52.019 52.037 0.033 0.000 0.786 80 A CB 0.219 19.194 19.000 -0.042 0.000 1.061 80 A HN 0.358 nan 8.150 nan 0.000 0.503 81 K N 1.388 121.842 120.400 0.091 0.000 2.443 81 K HA 0.437 4.796 4.320 0.066 0.000 0.251 81 K C -1.226 175.403 176.600 0.049 0.000 0.972 81 K CA -0.528 55.817 56.287 0.096 0.000 0.833 81 K CB 1.607 34.200 32.500 0.154 0.000 1.317 81 K HN 0.761 nan 8.250 nan 0.000 0.441 82 W N 0.333 121.721 121.300 0.146 0.000 2.141 82 W HA 0.041 4.742 4.660 0.070 0.000 0.354 82 W C 1.665 178.247 176.519 0.104 0.000 1.297 82 W CA -0.101 57.320 57.345 0.128 0.000 1.380 82 W CB 0.610 30.136 29.460 0.110 0.000 1.168 82 W HN 0.715 nan 8.180 nan 0.000 0.639 83 S N -0.503 115.421 115.700 0.373 0.000 2.474 83 S HA -0.212 4.297 4.470 0.066 0.000 0.235 83 S C 0.918 175.625 174.600 0.179 0.000 0.997 83 S CA 1.334 59.662 58.200 0.212 0.000 0.949 83 S CB -0.468 62.827 63.200 0.158 0.000 0.766 83 S HN 0.609 nan 8.310 nan 0.000 0.517 84 D N 0.240 120.766 120.400 0.210 0.000 2.325 84 D HA 0.271 4.951 4.640 0.066 0.000 0.225 84 D C 1.372 177.759 176.300 0.146 0.000 1.096 84 D CA 0.448 54.535 54.000 0.144 0.000 0.844 84 D CB -0.531 40.335 40.800 0.110 0.000 0.925 84 D HN 0.491 nan 8.370 nan 0.000 0.513 85 G N 0.328 109.236 108.800 0.179 0.000 2.199 85 G HA2 -0.295 3.704 3.960 0.066 0.000 0.254 85 G HA3 -0.295 3.704 3.960 0.066 0.000 0.254 85 G C 0.560 175.570 174.900 0.184 0.000 0.982 85 G CA 0.598 45.794 45.100 0.159 0.000 0.632 85 G HN 0.809 nan 8.290 nan 0.000 0.529 86 T N -0.118 114.576 114.554 0.233 0.000 2.899 86 T HA 0.588 4.978 4.350 0.066 0.000 0.295 86 T C -2.343 172.568 174.700 0.352 0.000 1.033 86 T CA -1.302 60.947 62.100 0.248 0.000 1.084 86 T CB 2.065 71.047 68.868 0.190 0.000 0.979 86 T HN 0.094 nan 8.240 nan 0.000 0.532 87 P HA 0.283 nan 4.420 nan 0.000 0.271 87 P C -0.628 176.873 177.300 0.335 0.000 1.216 87 P CA -0.570 62.689 63.100 0.266 0.000 0.776 87 P CB 0.479 32.319 31.700 0.232 0.000 0.881 88 V N 3.448 123.453 119.914 0.153 0.000 2.488 88 V HA 0.333 4.493 4.120 0.066 0.000 0.277 88 V C 0.940 177.152 176.094 0.197 0.000 1.046 88 V CA 0.234 62.576 62.300 0.071 0.000 0.986 88 V CB 0.509 32.208 31.823 -0.208 0.000 0.989 88 V HN 0.738 nan 8.190 nan 0.000 0.475 89 T N 1.868 116.566 114.554 0.241 0.000 2.883 89 T HA 0.681 5.070 4.350 0.066 0.000 0.284 89 T C 1.024 175.813 174.700 0.148 0.000 1.041 89 T CA -0.076 62.119 62.100 0.158 0.000 1.007 89 T CB 1.963 70.931 68.868 0.167 0.000 1.220 89 T HN 0.582 nan 8.240 nan 0.000 0.552 90 A N -0.336 122.468 122.820 -0.027 0.000 2.066 90 A HA -0.010 4.350 4.320 0.066 0.000 0.218 90 A C 2.066 179.624 177.584 -0.044 0.000 1.157 90 A CA 0.906 52.928 52.037 -0.027 0.000 0.670 90 A CB -1.219 17.761 19.000 -0.033 0.000 0.804 90 A HN 0.932 nan 8.150 nan 0.000 0.453 91 H N 0.468 119.623 119.070 0.141 0.000 2.387 91 H HA -0.105 4.491 4.556 0.067 0.000 0.299 91 H C 1.259 176.662 175.328 0.126 0.000 1.090 91 H CA 1.461 57.586 56.048 0.128 0.000 1.332 91 H CB -0.235 29.576 29.762 0.082 0.000 1.386 91 H HN 0.482 nan 8.280 nan 0.000 0.516 92 D N 0.548 121.070 120.400 0.203 0.000 2.123 92 D HA -0.128 4.551 4.640 0.066 0.000 0.196 92 D C 2.079 178.347 176.300 -0.053 0.000 0.992 92 D CA 0.856 54.931 54.000 0.126 0.000 0.833 92 D CB -0.444 40.458 40.800 0.170 0.000 0.954 92 D HN 0.266 nan 8.370 nan 0.000 0.455 93 F N 0.837 120.661 119.950 -0.211 0.000 2.146 93 F HA -0.151 4.415 4.527 0.065 0.000 0.298 93 F C 2.566 178.124 175.800 -0.402 0.000 1.096 93 F CA 0.449 58.058 58.000 -0.651 0.000 1.275 93 F CB -0.634 37.322 39.000 -1.739 0.000 1.008 93 F HN -0.183 nan 8.300 nan 0.000 0.480 94 V N -0.595 119.379 119.914 0.100 0.000 2.261 94 V HA -0.347 3.813 4.120 0.066 0.000 0.246 94 V C 2.084 178.333 176.094 0.258 0.000 1.047 94 V CA 2.162 64.639 62.300 0.294 0.000 1.015 94 V CB -0.920 31.091 31.823 0.314 0.000 0.642 94 V HN 0.423 nan 8.190 nan 0.000 0.446 95 Y N 1.364 121.739 120.300 0.124 0.000 2.128 95 Y HA -0.259 4.330 4.550 0.065 0.000 0.284 95 Y C 2.718 178.702 175.900 0.139 0.000 1.154 95 Y CA 2.019 60.181 58.100 0.102 0.000 1.149 95 Y CB -0.455 38.034 38.460 0.049 0.000 0.976 95 Y HN 0.216 nan 8.280 nan 0.000 0.505 96 S N -0.374 115.396 115.700 0.117 0.000 2.356 96 S HA -0.200 4.309 4.470 0.066 0.000 0.223 96 S C 1.523 176.288 174.600 0.276 0.000 1.032 96 S CA 1.464 59.758 58.200 0.156 0.000 1.005 96 S CB -0.685 62.657 63.200 0.236 0.000 0.867 96 S HN 0.651 nan 8.310 nan 0.000 0.449 97 W N 2.205 123.535 121.300 0.051 0.000 2.402 97 W HA 0.037 4.736 4.660 0.064 0.000 0.286 97 W C 2.421 178.917 176.519 -0.039 0.000 1.221 97 W CA 0.017 57.401 57.345 0.065 0.000 1.257 97 W CB -1.117 28.483 29.460 0.234 0.000 1.120 97 W HN 0.418 nan 8.180 nan 0.000 0.551 98 Q N -0.217 119.679 119.800 0.160 0.000 2.119 98 Q HA -0.174 4.206 4.340 0.066 0.000 0.201 98 Q C 2.303 178.230 176.000 -0.122 0.000 0.972 98 Q CA 1.598 57.418 55.803 0.028 0.000 0.847 98 Q CB -0.391 28.365 28.738 0.030 0.000 0.903 98 Q HN 0.270 nan 8.270 nan 0.000 0.433 99 R N 0.558 120.890 120.500 -0.280 0.000 2.092 99 R HA -0.151 4.229 4.340 0.066 0.000 0.231 99 R C 2.182 178.219 176.300 -0.438 0.000 1.119 99 R CA 0.853 56.739 56.100 -0.358 0.000 0.970 99 R CB -0.193 29.838 30.300 -0.448 0.000 0.864 99 R HN 0.226 nan 8.270 nan 0.000 0.440 100 L N 0.739 121.566 121.223 -0.660 0.000 2.046 100 L HA -0.059 4.321 4.340 0.066 0.000 0.208 100 L C 2.213 178.920 176.870 -0.271 0.000 1.077 100 L CA 2.215 56.674 54.840 -0.634 0.000 0.747 100 L CB -0.601 41.135 42.059 -0.538 0.000 0.896 100 L HN 0.248 nan 8.230 nan 0.000 0.432 101 A N -1.374 121.350 122.820 -0.160 0.000 1.968 101 A HA -0.129 4.230 4.320 0.066 0.000 0.217 101 A C 1.050 178.589 177.584 -0.075 0.000 1.169 101 A CA 0.746 52.731 52.037 -0.086 0.000 0.638 101 A CB -0.777 18.209 19.000 -0.024 0.000 0.812 101 A HN 0.512 nan 8.150 nan 0.000 0.446 102 D N 0.025 120.373 120.400 -0.087 0.000 2.434 102 D HA 0.111 4.791 4.640 0.066 0.000 0.252 102 D C -1.571 174.696 176.300 -0.054 0.000 1.185 102 D CA -1.774 52.190 54.000 -0.060 0.000 0.886 102 D CB 1.044 41.804 40.800 -0.066 0.000 1.148 102 D HN 0.047 nan 8.370 nan 0.000 0.483 103 P HA -0.117 nan 4.420 nan 0.000 0.218 103 P C 0.845 178.131 177.300 -0.023 0.000 1.148 103 P CA 0.746 63.829 63.100 -0.029 0.000 0.822 103 P CB 0.267 31.956 31.700 -0.018 0.000 0.784 104 N N -1.089 117.601 118.700 -0.017 0.000 2.364 104 N HA -0.079 4.701 4.740 0.066 0.000 0.183 104 N C 1.427 176.934 175.510 -0.004 0.000 1.022 104 N CA 1.305 54.351 53.050 -0.006 0.000 0.883 104 N CB -0.996 37.491 38.487 0.001 0.000 0.965 104 N HN 0.200 nan 8.380 nan 0.000 0.438 105 T N 0.437 114.980 114.554 -0.017 0.000 3.023 105 T HA 0.147 4.536 4.350 0.066 0.000 0.266 105 T C 1.015 175.712 174.700 -0.005 0.000 1.093 105 T CA 0.736 62.834 62.100 -0.004 0.000 1.129 105 T CB -0.189 68.656 68.868 -0.039 0.000 0.899 105 T HN 0.372 nan 8.240 nan 0.000 0.491 106 A N 1.798 124.602 122.820 -0.027 0.000 2.687 106 A HA -0.153 4.207 4.320 0.066 0.000 0.299 106 A C 0.922 178.476 177.584 -0.050 0.000 1.497 106 A CA 0.661 52.673 52.037 -0.040 0.000 0.751 106 A CB -2.226 16.754 19.000 -0.034 0.000 1.048 106 A HN 0.501 nan 8.150 nan 0.000 0.464 107 S N 0.314 115.989 115.700 -0.041 0.000 2.564 107 S HA 0.466 4.976 4.470 0.066 0.000 0.278 107 S C -0.087 174.482 174.600 -0.051 0.000 1.333 107 S CA -0.659 57.532 58.200 -0.014 0.000 1.048 107 S CB 0.664 63.864 63.200 -0.001 0.000 0.900 107 S HN 0.444 nan 8.310 nan 0.000 0.505 108 P HA -0.055 nan 4.420 nan 0.000 0.223 108 P C 0.084 177.334 177.300 -0.083 0.000 1.151 108 P CA 1.106 64.128 63.100 -0.130 0.000 0.787 108 P CB -0.047 31.590 31.700 -0.105 0.000 0.788 109 Y N -0.618 119.673 120.300 -0.015 0.000 2.708 109 Y HA 0.443 5.034 4.550 0.067 0.000 0.287 109 Y C 2.228 178.072 175.900 -0.094 0.000 1.145 109 Y CA -0.246 57.840 58.100 -0.023 0.000 1.249 109 Y CB -0.433 38.021 38.460 -0.009 0.000 1.152 109 Y HN -0.060 nan 8.280 nan 0.000 0.532 110 A N -0.692 122.120 122.820 -0.012 0.000 1.940 110 A HA -0.202 4.157 4.320 0.066 0.000 0.219 110 A C 2.297 179.800 177.584 -0.135 0.000 1.176 110 A CA 2.243 54.234 52.037 -0.077 0.000 0.631 110 A CB -0.623 18.328 19.000 -0.081 0.000 0.814 110 A HN 0.339 nan 8.150 nan 0.000 0.446 111 S N -1.882 113.694 115.700 -0.208 0.000 2.547 111 S HA -0.063 4.447 4.470 0.066 0.000 0.235 111 S C 1.469 175.543 174.600 -0.876 0.000 0.980 111 S CA 0.610 58.564 58.200 -0.410 0.000 0.941 111 S CB -0.502 62.504 63.200 -0.324 0.000 0.763 111 S HN 0.638 nan 8.310 nan 0.000 0.532 112 Y N 2.222 122.082 120.300 -0.734 0.000 2.274 112 Y HA -0.067 4.522 4.550 0.064 0.000 0.290 112 Y C 1.677 177.323 175.900 -0.424 0.000 1.145 112 Y CA 1.060 58.783 58.100 -0.629 0.000 1.203 112 Y CB -0.297 38.053 38.460 -0.184 0.000 0.984 112 Y HN 0.227 nan 8.280 nan 0.000 0.533 113 L N -0.702 120.364 121.223 -0.262 0.000 2.217 113 L HA -0.198 4.182 4.340 0.066 0.000 0.211 113 L C 2.231 178.975 176.870 -0.210 0.000 1.107 113 L CA 0.999 55.717 54.840 -0.204 0.000 0.783 113 L CB -0.460 41.526 42.059 -0.122 0.000 0.919 113 L HN 0.254 nan 8.230 nan 0.000 0.442 114 Q N -0.899 118.742 119.800 -0.265 0.000 2.083 114 Q HA -0.166 4.213 4.340 0.066 0.000 0.198 114 Q C 2.145 177.927 176.000 -0.363 0.000 0.969 114 Q CA 1.280 56.939 55.803 -0.240 0.000 0.838 114 Q CB -0.119 28.545 28.738 -0.123 0.000 0.900 114 Q HN 0.428 nan 8.270 nan 0.000 0.436 115 Y N -0.025 120.076 120.300 -0.331 0.000 2.207 115 Y HA -0.082 4.507 4.550 0.065 0.000 0.287 115 Y C 2.381 178.062 175.900 -0.366 0.000 1.156 115 Y CA 1.144 59.056 58.100 -0.312 0.000 1.182 115 Y CB -1.073 37.269 38.460 -0.196 0.000 0.979 115 Y HN 0.145 nan 8.280 nan 0.000 0.521 116 G N -2.463 106.222 108.800 -0.193 0.000 2.880 116 G HA2 -0.029 3.970 3.960 0.066 0.000 0.209 116 G HA3 -0.029 3.970 3.960 0.066 0.000 0.209 116 G C -0.346 174.545 174.900 -0.014 0.000 1.157 116 G CA 0.257 45.365 45.100 0.013 0.000 0.779 116 G HN 0.645 nan 8.290 nan 0.000 0.539 117 H N -1.529 117.539 119.070 -0.003 0.000 2.826 117 H HA -0.134 4.461 4.556 0.066 0.000 0.306 117 H C -0.029 175.271 175.328 -0.047 0.000 1.235 117 H CA -0.085 55.953 56.048 -0.017 0.000 1.150 117 H CB -2.108 27.642 29.762 -0.019 0.000 1.409 117 H HN 0.292 nan 8.280 nan 0.000 0.420 118 I N 0.778 121.356 120.570 0.013 0.000 2.710 118 I HA 0.146 4.356 4.170 0.066 0.000 0.286 118 I C 1.282 177.432 176.117 0.054 0.000 1.181 118 I CA 0.856 62.180 61.300 0.040 0.000 1.430 118 I CB 0.394 38.468 38.000 0.123 0.000 1.367 118 I HN 0.500 nan 8.210 nan 0.000 0.577 119 A N 5.730 128.580 122.820 0.050 0.000 2.561 119 A HA 0.120 4.480 4.320 0.066 0.000 0.234 119 A C 1.104 178.718 177.584 0.051 0.000 1.055 119 A CA 0.084 52.150 52.037 0.047 0.000 0.756 119 A CB -0.300 18.721 19.000 0.035 0.000 0.986 119 A HN 0.904 nan 8.150 nan 0.000 0.505 120 N N -0.494 118.233 118.700 0.044 0.000 2.863 120 N HA -0.221 4.559 4.740 0.066 0.000 0.245 120 N C 0.568 176.099 175.510 0.035 0.000 1.001 120 N CA 1.193 54.266 53.050 0.039 0.000 0.901 120 N CB -1.398 37.112 38.487 0.038 0.000 1.124 120 N HN 0.776 nan 8.380 nan 0.000 0.582 121 I N 1.665 122.255 120.570 0.033 0.000 2.286 121 I HA -0.169 4.041 4.170 0.066 0.000 0.248 121 I C 1.681 177.803 176.117 0.008 0.000 1.115 121 I CA 1.758 63.067 61.300 0.015 0.000 1.392 121 I CB -0.080 37.917 38.000 -0.005 0.000 1.065 121 I HN 0.050 nan 8.210 nan 0.000 0.418 122 D N 0.677 121.088 120.400 0.018 0.000 2.092 122 D HA -0.193 4.487 4.640 0.066 0.000 0.193 122 D C 1.836 178.145 176.300 0.014 0.000 0.994 122 D CA 1.578 55.589 54.000 0.018 0.000 0.828 122 D CB -0.462 40.358 40.800 0.032 0.000 0.963 122 D HN 0.352 nan 8.370 nan 0.000 0.450 123 D N 0.035 120.446 120.400 0.018 0.000 2.149 123 D HA -0.085 4.595 4.640 0.066 0.000 0.198 123 D C 2.226 178.533 176.300 0.012 0.000 0.990 123 D CA 0.373 54.382 54.000 0.016 0.000 0.839 123 D CB -0.216 40.595 40.800 0.018 0.000 0.948 123 D HN 0.275 nan 8.370 nan 0.000 0.460 124 I N 0.280 120.857 120.570 0.011 0.000 2.202 124 I HA -0.187 4.022 4.170 0.066 0.000 0.242 124 I C 2.312 178.428 176.117 -0.003 0.000 1.091 124 I CA 0.639 61.943 61.300 0.007 0.000 1.368 124 I CB -0.048 37.958 38.000 0.010 0.000 1.058 124 I HN -0.047 nan 8.210 nan 0.000 0.410 125 I N 0.772 121.337 120.570 -0.008 0.000 2.286 125 I HA -0.261 3.949 4.170 0.066 0.000 0.248 125 I C 2.445 178.557 176.117 -0.008 0.000 1.115 125 I CA 1.254 62.544 61.300 -0.016 0.000 1.392 125 I CB -0.335 37.651 38.000 -0.022 0.000 1.065 125 I HN 0.179 nan 8.210 nan 0.000 0.418 126 A N 0.165 122.984 122.820 -0.001 0.000 2.235 126 A HA 0.247 4.607 4.320 0.066 0.000 0.208 126 A C 1.874 179.459 177.584 0.003 0.000 1.172 126 A CA 0.811 52.849 52.037 0.002 0.000 0.786 126 A CB -0.677 18.327 19.000 0.007 0.000 0.804 126 A HN 0.582 nan 8.150 nan 0.000 0.479 127 G N -0.452 108.349 108.800 0.002 0.000 2.162 127 G HA2 -0.315 3.685 3.960 0.066 0.000 0.260 127 G HA3 -0.315 3.685 3.960 0.066 0.000 0.260 127 G C 0.914 175.818 174.900 0.006 0.000 0.976 127 G CA 0.835 45.937 45.100 0.003 0.000 0.655 127 G HN 0.567 nan 8.290 nan 0.000 0.533 128 K N -0.433 119.972 120.400 0.008 0.000 2.305 128 K HA 0.120 4.479 4.320 0.066 0.000 0.199 128 K C 1.010 177.617 176.600 0.012 0.000 1.047 128 K CA 0.756 57.049 56.287 0.010 0.000 0.976 128 K CB 0.194 32.700 32.500 0.011 0.000 0.765 128 K HN 0.318 nan 8.250 nan 0.000 0.474 129 K N 0.963 121.370 120.400 0.013 0.000 2.469 129 K HA 0.298 4.658 4.320 0.066 0.000 0.254 129 K C -2.782 173.828 176.600 0.016 0.000 0.939 129 K CA -2.220 54.077 56.287 0.016 0.000 0.812 129 K CB 2.224 34.736 32.500 0.019 0.000 1.301 129 K HN -0.180 nan 8.250 nan 0.000 0.433 130 P HA 0.006 nan 4.420 nan 0.000 0.272 130 P C 0.048 177.363 177.300 0.024 0.000 1.230 130 P CA -0.011 63.101 63.100 0.020 0.000 0.788 130 P CB 0.875 32.589 31.700 0.023 0.000 0.949 131 A N 2.265 125.097 122.820 0.021 0.000 2.019 131 A HA -0.145 4.214 4.320 0.066 0.000 0.219 131 A C 1.827 179.439 177.584 0.047 0.000 1.164 131 A CA 2.182 54.234 52.037 0.024 0.000 0.644 131 A CB -1.882 17.121 19.000 0.004 0.000 0.805 131 A HN 0.683 nan 8.150 nan 0.000 0.449 132 T N -2.856 111.728 114.554 0.050 0.000 3.163 132 T HA -0.028 4.362 4.350 0.066 0.000 0.260 132 T C 0.618 175.355 174.700 0.061 0.000 1.156 132 T CA 1.177 63.315 62.100 0.065 0.000 1.072 132 T CB -0.228 68.677 68.868 0.061 0.000 0.937 132 T HN 0.313 nan 8.240 nan 0.000 0.528 133 D N 0.395 120.826 120.400 0.052 0.000 2.339 133 D HA 0.235 4.915 4.640 0.066 0.000 0.217 133 D C 0.452 176.786 176.300 0.057 0.000 1.050 133 D CA -0.278 53.751 54.000 0.047 0.000 0.856 133 D CB -0.194 40.627 40.800 0.037 0.000 0.922 133 D HN 0.340 nan 8.370 nan 0.000 0.518 134 L N 0.763 122.030 121.223 0.074 0.000 2.514 134 L HA 0.234 4.614 4.340 0.066 0.000 0.280 134 L C 1.248 178.174 176.870 0.094 0.000 1.223 134 L CA 0.210 55.107 54.840 0.094 0.000 0.864 134 L CB 0.771 42.911 42.059 0.136 0.000 1.118 134 L HN 0.029 nan 8.230 nan 0.000 0.494 135 G N 5.419 114.272 108.800 0.087 0.000 3.180 135 G HA2 0.408 4.408 3.960 0.066 0.000 0.252 135 G HA3 0.408 4.408 3.960 0.066 0.000 0.252 135 G C -0.471 174.455 174.900 0.043 0.000 0.871 135 G CA 0.393 45.528 45.100 0.058 0.000 1.979 135 G HN 0.758 nan 8.290 nan 0.000 0.624 136 V N -1.808 118.130 119.914 0.040 0.000 2.789 136 V HA 0.959 5.118 4.120 0.066 0.000 0.311 136 V C -0.679 175.389 176.094 -0.042 0.000 1.073 136 V CA -1.441 60.813 62.300 -0.076 0.000 0.921 136 V CB 1.991 33.839 31.823 0.042 0.000 1.009 136 V HN 0.547 nan 8.190 nan 0.000 0.426 137 K N 2.772 123.083 120.400 -0.149 0.000 2.551 137 K HA 0.901 5.261 4.320 0.066 0.000 0.269 137 K C -1.002 175.602 176.600 0.007 0.000 0.949 137 K CA -0.528 55.755 56.287 -0.008 0.000 0.849 137 K CB 2.447 34.945 32.500 -0.003 0.000 1.411 137 K HN 1.320 nan 8.250 nan 0.000 0.432 138 A N 3.073 125.943 122.820 0.084 0.000 2.252 138 A HA 0.378 4.738 4.320 0.066 0.000 0.309 138 A C 0.610 178.203 177.584 0.014 0.000 1.285 138 A CA -0.931 51.116 52.037 0.016 0.000 0.900 138 A CB -0.170 18.685 19.000 -0.243 0.000 1.157 138 A HN 0.793 nan 8.150 nan 0.000 0.536 139 L N 1.029 122.256 121.223 0.006 0.000 2.240 139 L HA 0.109 4.488 4.340 0.066 0.000 0.211 139 L C 0.519 177.413 176.870 0.040 0.000 1.106 139 L CA 0.900 55.754 54.840 0.024 0.000 0.793 139 L CB -0.401 41.668 42.059 0.016 0.000 0.927 139 L HN 0.929 nan 8.230 nan 0.000 0.446 140 D N -4.508 115.901 120.400 0.014 0.000 2.779 140 D HA 0.052 4.732 4.640 0.066 0.000 0.331 140 D C -0.029 176.211 176.300 -0.100 0.000 1.331 140 D CA -0.616 53.397 54.000 0.022 0.000 0.866 140 D CB 0.175 41.008 40.800 0.055 0.000 1.409 140 D HN -0.341 nan 8.370 nan 0.000 0.486 141 D N -1.433 118.897 120.400 -0.117 0.000 2.263 141 D HA -0.090 4.589 4.640 0.066 0.000 0.208 141 D C 0.521 176.541 176.300 -0.467 0.000 0.971 141 D CA 1.223 55.033 54.000 -0.316 0.000 0.867 141 D CB -0.051 40.505 40.800 -0.405 0.000 0.929 141 D HN 0.389 nan 8.370 nan 0.000 0.492 142 H N -1.224 117.874 119.070 0.045 0.000 2.581 142 H HA 0.289 4.885 4.556 0.066 0.000 0.275 142 H C -0.193 175.177 175.328 0.070 0.000 1.126 142 H CA 0.107 56.189 56.048 0.056 0.000 1.097 142 H CB 0.502 30.302 29.762 0.065 0.000 1.626 142 H HN -0.125 nan 8.280 nan 0.000 0.565 143 T N 1.461 116.078 114.554 0.105 0.000 2.965 143 T HA 0.205 4.594 4.350 0.066 0.000 0.306 143 T C -1.105 173.654 174.700 0.098 0.000 0.991 143 T CA -0.513 61.639 62.100 0.086 0.000 1.001 143 T CB 1.165 70.079 68.868 0.078 0.000 0.984 143 T HN 0.049 nan 8.240 nan 0.000 0.446 144 F N 2.967 122.882 119.950 -0.059 0.000 2.427 144 F HA 0.581 5.147 4.527 0.065 0.000 0.346 144 F C 0.054 175.883 175.800 0.049 0.000 1.120 144 F CA -1.197 56.767 58.000 -0.061 0.000 1.033 144 F CB 1.065 39.952 39.000 -0.190 0.000 1.126 144 F HN 0.506 nan 8.300 nan 0.000 0.462 145 E N 5.625 125.568 120.200 -0.427 0.000 2.176 145 E HA 0.554 4.943 4.350 0.066 0.000 0.267 145 E C -1.828 174.511 176.600 -0.434 0.000 0.893 145 E CA -0.708 55.510 56.400 -0.303 0.000 0.761 145 E CB 1.794 31.395 29.700 -0.165 0.000 1.133 145 E HN 0.509 nan 8.360 nan 0.000 0.409 146 V N 3.606 123.415 119.914 -0.175 0.000 2.459 146 V HA 0.364 4.523 4.120 0.066 0.000 0.295 146 V C -0.201 175.908 176.094 0.025 0.000 1.029 146 V CA -0.607 61.648 62.300 -0.075 0.000 0.874 146 V CB 1.941 33.895 31.823 0.218 0.000 0.985 146 V HN 0.713 nan 8.190 nan 0.000 0.438 147 T N 6.525 121.077 114.554 -0.004 0.000 2.786 147 T HA 0.627 5.017 4.350 0.066 0.000 0.283 147 T C -0.287 174.412 174.700 -0.002 0.000 0.992 147 T CA -0.269 61.834 62.100 0.004 0.000 0.954 147 T CB 0.695 69.558 68.868 -0.007 0.000 0.934 147 T HN 0.344 nan 8.240 nan 0.000 0.440 148 L N 2.065 123.283 121.223 -0.009 0.000 2.375 148 L HA 0.449 4.828 4.340 0.066 0.000 0.268 148 L C 1.612 178.492 176.870 0.017 0.000 1.058 148 L CA -0.812 54.015 54.840 -0.022 0.000 0.803 148 L CB 1.339 43.356 42.059 -0.071 0.000 1.212 148 L HN 0.714 nan 8.230 nan 0.000 0.451 149 S N -0.947 114.776 115.700 0.039 0.000 2.558 149 S HA 0.060 4.570 4.470 0.066 0.000 0.217 149 S C 0.204 174.806 174.600 0.003 0.000 0.975 149 S CA -0.166 58.052 58.200 0.030 0.000 0.912 149 S CB -0.299 62.932 63.200 0.052 0.000 0.776 149 S HN 0.776 nan 8.310 nan 0.000 0.526 150 E N -0.381 119.811 120.200 -0.014 0.000 2.407 150 E HA 0.454 4.844 4.350 0.066 0.000 0.279 150 E C -3.561 173.039 176.600 -0.000 0.000 1.012 150 E CA -2.729 53.649 56.400 -0.036 0.000 0.800 150 E CB 0.418 30.051 29.700 -0.111 0.000 1.276 150 E HN -0.070 nan 8.360 nan 0.000 0.452 151 P HA 0.084 nan 4.420 nan 0.000 0.267 151 P C -0.695 176.640 177.300 0.058 0.000 1.209 151 P CA -0.210 62.981 63.100 0.153 0.000 0.763 151 P CB 0.576 32.404 31.700 0.213 0.000 0.816 152 V N 6.628 126.612 119.914 0.116 0.000 2.380 152 V HA 0.176 4.336 4.120 0.066 0.000 0.272 152 V C -1.718 174.341 176.094 -0.058 0.000 1.011 152 V CA -1.301 60.909 62.300 -0.150 0.000 0.826 152 V CB 1.614 33.296 31.823 -0.235 0.000 1.040 152 V HN 0.397 nan 8.190 nan 0.000 0.441 153 P HA -0.113 nan 4.420 nan 0.000 0.220 153 P C 0.981 178.375 177.300 0.157 0.000 1.148 153 P CA 1.188 64.079 63.100 -0.349 0.000 0.803 153 P CB -0.023 31.228 31.700 -0.748 0.000 0.782 154 Y N -4.309 116.040 120.300 0.081 0.000 2.470 154 Y HA 0.326 4.915 4.550 0.065 0.000 0.284 154 Y C 1.725 177.457 175.900 -0.281 0.000 1.188 154 Y CA -1.025 57.031 58.100 -0.074 0.000 1.269 154 Y CB -1.457 36.962 38.460 -0.068 0.000 1.094 154 Y HN -0.204 nan 8.280 nan 0.000 0.518 155 F N 2.434 122.073 119.950 -0.517 0.000 2.091 155 F HA -0.279 4.289 4.527 0.069 0.000 0.299 155 F C 2.346 177.763 175.800 -0.638 0.000 1.103 155 F CA 1.727 59.311 58.000 -0.694 0.000 1.228 155 F CB -0.865 37.533 39.000 -1.003 0.000 0.984 155 F HN 0.316 nan 8.300 nan 0.000 0.477 156 Y N 0.025 119.882 120.300 -0.738 0.000 2.315 156 Y HA -0.091 4.495 4.550 0.061 0.000 0.288 156 Y C 1.997 177.686 175.900 -0.351 0.000 1.154 156 Y CA 1.343 59.102 58.100 -0.567 0.000 1.229 156 Y CB -1.499 36.840 38.460 -0.201 0.000 0.980 156 Y HN 0.041 nan 8.280 nan 0.000 0.540 157 K N 0.223 120.033 120.400 -0.984 0.000 2.209 157 K HA -0.102 4.258 4.320 0.066 0.000 0.204 157 K C 1.683 178.108 176.600 -0.290 0.000 1.048 157 K CA 1.421 57.402 56.287 -0.509 0.000 0.940 157 K CB -0.269 32.011 32.500 -0.365 0.000 0.729 157 K HN 0.272 nan 8.250 nan 0.000 0.451 158 L N 0.782 121.688 121.223 -0.528 0.000 2.131 158 L HA -0.125 4.255 4.340 0.066 0.000 0.210 158 L C 1.787 178.605 176.870 -0.086 0.000 1.092 158 L CA 1.410 56.009 54.840 -0.401 0.000 0.759 158 L CB -0.412 41.182 42.059 -0.774 0.000 0.903 158 L HN 0.143 nan 8.230 nan 0.000 0.435 159 L N -0.631 120.445 121.223 -0.244 0.000 2.633 159 L HA -0.071 4.309 4.340 0.066 0.000 0.235 159 L C 2.027 178.907 176.870 0.017 0.000 1.163 159 L CA 0.216 54.975 54.840 -0.135 0.000 0.859 159 L CB -0.717 41.157 42.059 -0.309 0.000 0.973 159 L HN 0.271 nan 8.230 nan 0.000 0.451 160 V N -4.750 115.210 119.914 0.076 0.000 3.461 160 V HA -0.011 4.149 4.120 0.066 0.000 0.267 160 V C 1.345 177.504 176.094 0.108 0.000 1.186 160 V CA 0.135 62.515 62.300 0.134 0.000 1.154 160 V CB -0.889 31.038 31.823 0.173 0.000 0.802 160 V HN 0.347 nan 8.190 nan 0.000 0.474 161 H N 1.672 120.723 119.070 -0.033 0.000 2.732 161 H HA 0.211 4.806 4.556 0.065 0.000 0.351 161 H C -1.752 173.428 175.328 -0.247 0.000 1.090 161 H CA -1.240 54.677 56.048 -0.217 0.000 1.431 161 H CB 2.070 31.538 29.762 -0.491 0.000 1.447 161 H HN 0.107 nan 8.280 nan 0.000 0.582 162 P HA -0.185 nan 4.420 nan 0.000 0.218 162 P C 1.595 178.710 177.300 -0.309 0.000 1.148 162 P CA 1.930 64.759 63.100 -0.452 0.000 0.822 162 P CB 0.102 31.490 31.700 -0.521 0.000 0.784 163 S N -0.718 114.771 115.700 -0.351 0.000 2.419 163 S HA -0.120 4.390 4.470 0.066 0.000 0.235 163 S C 1.559 176.135 174.600 -0.041 0.000 1.019 163 S CA 1.561 59.683 58.200 -0.129 0.000 0.982 163 S CB -1.646 61.428 63.200 -0.210 0.000 0.789 163 S HN 0.156 nan 8.310 nan 0.000 0.490 164 V N -1.152 118.723 119.914 -0.065 0.000 3.342 164 V HA 0.430 4.590 4.120 0.066 0.000 0.322 164 V C 0.374 176.696 176.094 0.379 0.000 1.370 164 V CA -0.639 61.666 62.300 0.008 0.000 1.170 164 V CB -0.682 31.003 31.823 -0.231 0.000 1.101 164 V HN 0.273 nan 8.190 nan 0.000 0.442 165 S N 3.477 119.289 115.700 0.187 0.000 2.592 165 S HA 0.440 4.950 4.470 0.066 0.000 0.271 165 S C -2.199 172.427 174.600 0.043 0.000 1.326 165 S CA -0.486 57.816 58.200 0.170 0.000 1.024 165 S CB 1.003 64.261 63.200 0.096 0.000 0.921 165 S HN 0.496 nan 8.310 nan 0.000 0.527 166 P HA 0.276 nan 4.420 nan 0.000 0.275 166 P C -0.889 176.472 177.300 0.100 0.000 1.228 166 P CA -0.397 62.556 63.100 -0.245 0.000 0.786 166 P CB 0.659 31.978 31.700 -0.635 0.000 0.927 167 V N -1.255 118.708 119.914 0.081 0.000 2.769 167 V HA 0.649 4.808 4.120 0.066 0.000 0.312 167 V C -2.667 173.351 176.094 -0.127 0.000 1.061 167 V CA -3.065 59.197 62.300 -0.062 0.000 0.931 167 V CB 1.783 33.357 31.823 -0.415 0.000 1.010 167 V HN 0.358 nan 8.190 nan 0.000 0.433 168 P HA 0.260 nan 4.420 nan 0.000 0.284 168 P C 0.266 177.212 177.300 -0.590 0.000 1.343 168 P CA -0.259 62.370 63.100 -0.785 0.000 0.826 168 P CB 1.467 32.609 31.700 -0.930 0.000 0.956 169 K N 3.398 123.442 120.400 -0.594 0.000 2.044 169 K HA -0.192 4.168 4.320 0.066 0.000 0.210 169 K C 1.849 178.145 176.600 -0.506 0.000 1.049 169 K CA 2.406 58.203 56.287 -0.815 0.000 0.927 169 K CB -0.256 31.499 32.500 -1.242 0.000 0.713 169 K HN 0.439 nan 8.250 nan 0.000 0.443 170 S N 0.138 115.597 115.700 -0.402 0.000 2.382 170 S HA -0.116 4.394 4.470 0.066 0.000 0.228 170 S C 2.175 176.668 174.600 -0.179 0.000 1.027 170 S CA 0.983 59.025 58.200 -0.263 0.000 0.991 170 S CB -0.365 62.711 63.200 -0.208 0.000 0.823 170 S HN 0.426 nan 8.310 nan 0.000 0.469 171 A N 1.406 124.142 122.820 -0.140 0.000 1.897 171 A HA 0.162 4.522 4.320 0.066 0.000 0.215 171 A C 2.410 180.049 177.584 0.091 0.000 1.181 171 A CA 1.323 53.444 52.037 0.140 0.000 0.620 171 A CB -1.017 18.109 19.000 0.210 0.000 0.821 171 A HN 0.422 nan 8.150 nan 0.000 0.443 172 V N 0.139 119.875 119.914 -0.297 0.000 2.295 172 V HA -0.274 3.886 4.120 0.066 0.000 0.246 172 V C 2.434 178.473 176.094 -0.093 0.000 1.049 172 V CA 2.379 64.457 62.300 -0.370 0.000 1.024 172 V CB -0.767 30.752 31.823 -0.506 0.000 0.648 172 V HN 0.635 nan 8.190 nan 0.000 0.447 173 E N -0.363 119.757 120.200 -0.133 0.000 2.106 173 E HA -0.238 4.152 4.350 0.066 0.000 0.192 173 E C 2.263 178.782 176.600 -0.136 0.000 0.984 173 E CA 1.231 57.569 56.400 -0.102 0.000 0.806 173 E CB -0.059 29.562 29.700 -0.131 0.000 0.750 173 E HN 0.541 nan 8.360 nan 0.000 0.458 174 K N 0.000 120.260 120.400 -0.234 0.000 2.116 174 K HA -0.061 4.299 4.320 0.066 0.000 0.203 174 K C 1.074 177.349 176.600 -0.542 0.000 1.052 174 K CA 0.985 56.988 56.287 -0.473 0.000 0.952 174 K CB 0.141 32.190 32.500 -0.752 0.000 0.729 174 K HN 0.021 nan 8.250 nan 0.000 0.446 175 F N 0.335 120.327 119.950 0.070 0.000 2.678 175 F HA 0.333 4.900 4.527 0.066 0.000 0.305 175 F C 1.395 177.286 175.800 0.151 0.000 1.090 175 F CA 0.166 58.237 58.000 0.117 0.000 1.272 175 F CB 0.409 39.508 39.000 0.165 0.000 1.060 175 F HN 0.277 nan 8.300 nan 0.000 0.576 176 G N 1.977 110.935 108.800 0.262 0.000 2.611 176 G HA2 -0.471 3.529 3.960 0.066 0.000 0.301 176 G HA3 -0.471 3.529 3.960 0.066 0.000 0.301 176 G C 0.705 175.826 174.900 0.368 0.000 1.233 176 G CA 0.870 46.112 45.100 0.237 0.000 0.993 176 G HN 0.412 nan 8.290 nan 0.000 0.553 177 D N 0.454 121.008 120.400 0.258 0.000 2.378 177 D HA 0.081 4.761 4.640 0.066 0.000 0.227 177 D C 1.592 177.987 176.300 0.159 0.000 1.012 177 D CA 1.242 55.377 54.000 0.224 0.000 0.905 177 D CB 0.100 40.977 40.800 0.128 0.000 0.895 177 D HN 0.386 nan 8.370 nan 0.000 0.532 178 K N 0.550 121.067 120.400 0.195 0.000 2.397 178 K HA 0.059 4.419 4.320 0.066 0.000 0.202 178 K C 1.178 177.855 176.600 0.129 0.000 1.022 178 K CA -0.284 56.066 56.287 0.105 0.000 1.141 178 K CB -0.254 32.311 32.500 0.108 0.000 0.857 178 K HN 0.519 nan 8.250 nan 0.000 0.514 179 W N 1.683 123.066 121.300 0.138 0.000 2.421 179 W HA -0.132 4.567 4.660 0.065 0.000 0.270 179 W C 0.823 177.384 176.519 0.070 0.000 1.233 179 W CA 1.414 58.834 57.345 0.124 0.000 1.226 179 W CB -1.079 28.494 29.460 0.188 0.000 1.121 179 W HN -0.023 nan 8.180 nan 0.000 0.579 180 T N -1.106 113.151 114.554 -0.495 0.000 3.107 180 T HA 0.034 4.424 4.350 0.066 0.000 0.249 180 T C 0.855 175.517 174.700 -0.063 0.000 1.096 180 T CA -0.017 61.791 62.100 -0.487 0.000 1.012 180 T CB -0.109 68.398 68.868 -0.602 0.000 0.977 180 T HN -0.101 nan 8.240 nan 0.000 0.527 181 Q N 1.847 121.620 119.800 -0.046 0.000 2.421 181 Q HA 0.205 4.584 4.340 0.066 0.000 0.255 181 Q C -1.644 174.352 176.000 -0.006 0.000 1.013 181 Q CA -2.093 53.709 55.803 -0.002 0.000 0.895 181 Q CB 1.075 29.764 28.738 -0.081 0.000 1.271 181 Q HN 0.125 nan 8.270 nan 0.000 0.460 182 P HA -0.164 nan 4.420 nan 0.000 0.216 182 P C 0.556 177.842 177.300 -0.022 0.000 1.150 182 P CA 1.997 65.111 63.100 0.024 0.000 0.843 182 P CB 0.211 31.939 31.700 0.047 0.000 0.787 183 A N -1.081 121.702 122.820 -0.062 0.000 2.119 183 A HA -0.102 4.258 4.320 0.066 0.000 0.217 183 A C 1.838 179.319 177.584 -0.172 0.000 1.153 183 A CA 1.350 53.333 52.037 -0.090 0.000 0.692 183 A CB -0.712 18.233 19.000 -0.090 0.000 0.799 183 A HN 0.159 nan 8.150 nan 0.000 0.458 184 N N -1.128 117.416 118.700 -0.259 0.000 2.397 184 N HA 0.179 4.959 4.740 0.066 0.000 0.190 184 N C 0.493 175.947 175.510 -0.094 0.000 1.099 184 N CA -0.186 52.601 53.050 -0.439 0.000 0.876 184 N CB 0.209 38.130 38.487 -0.944 0.000 1.143 184 N HN 0.492 nan 8.380 nan 0.000 0.468 185 I N 1.920 122.497 120.570 0.012 0.000 2.813 185 I HA -0.017 4.193 4.170 0.066 0.000 0.287 185 I C -0.665 175.565 176.117 0.189 0.000 1.196 185 I CA 0.108 61.518 61.300 0.183 0.000 1.421 185 I CB 0.691 38.743 38.000 0.086 0.000 1.365 185 I HN -0.298 nan 8.210 nan 0.000 0.591 186 V N 5.727 125.824 119.914 0.304 0.000 2.577 186 V HA 0.443 4.603 4.120 0.066 0.000 0.303 186 V C -0.152 176.203 176.094 0.436 0.000 1.042 186 V CA -0.467 61.983 62.300 0.251 0.000 0.872 186 V CB 1.866 33.730 31.823 0.067 0.000 0.998 186 V HN 0.884 nan 8.190 nan 0.000 0.423 187 T N 0.087 114.862 114.554 0.367 0.000 2.916 187 T HA 0.483 4.873 4.350 0.066 0.000 0.292 187 T C 0.167 175.029 174.700 0.270 0.000 1.055 187 T CA -0.635 61.585 62.100 0.200 0.000 1.009 187 T CB 2.143 70.829 68.868 -0.303 0.000 1.118 187 T HN 0.633 nan 8.240 nan 0.000 0.497 188 N N -0.405 118.297 118.700 0.003 0.000 2.170 188 N HA 0.212 4.992 4.740 0.066 0.000 0.222 188 N C 0.631 176.120 175.510 -0.036 0.000 1.218 188 N CA -0.299 52.671 53.050 -0.133 0.000 0.889 188 N CB 0.371 38.458 38.487 -0.667 0.000 1.083 188 N HN 0.819 nan 8.380 nan 0.000 0.520 189 G N 0.080 108.786 108.800 -0.158 0.000 2.510 189 G HA2 0.498 4.498 3.960 0.066 0.000 0.280 189 G HA3 0.498 4.498 3.960 0.066 0.000 0.280 189 G C 0.887 175.372 174.900 -0.693 0.000 1.386 189 G CA 0.020 44.926 45.100 -0.322 0.000 1.047 189 G HN 0.214 nan 8.290 nan 0.000 0.527 190 A N -1.679 120.510 122.820 -1.051 0.000 2.070 190 A HA 0.220 4.580 4.320 0.066 0.000 0.220 190 A C 0.448 177.491 177.584 -0.901 0.000 1.159 190 A CA 0.989 52.337 52.037 -1.150 0.000 0.656 190 A CB -0.370 18.093 19.000 -0.895 0.000 0.800 190 A HN 0.464 nan 8.150 nan 0.000 0.453 191 Y N -1.185 118.965 120.300 -0.250 0.000 2.630 191 Y HA 0.579 5.166 4.550 0.062 0.000 0.337 191 Y C 0.147 175.962 175.900 -0.142 0.000 1.051 191 Y CA -0.978 57.035 58.100 -0.145 0.000 1.121 191 Y CB 1.608 40.002 38.460 -0.111 0.000 1.299 191 Y HN -0.036 nan 8.280 nan 0.000 0.498 192 K N 1.074 121.512 120.400 0.063 0.000 2.395 192 K HA 0.527 4.887 4.320 0.066 0.000 0.247 192 K C -1.802 174.807 176.600 0.015 0.000 0.973 192 K CA -1.217 55.074 56.287 0.006 0.000 0.828 192 K CB 2.529 35.041 32.500 0.020 0.000 1.272 192 K HN 0.383 nan 8.250 nan 0.000 0.439 193 L N 2.480 123.691 121.223 -0.020 0.000 2.313 193 L HA 0.152 4.531 4.340 0.066 0.000 0.282 193 L C 0.976 177.858 176.870 0.020 0.000 1.092 193 L CA 0.680 55.510 54.840 -0.017 0.000 0.831 193 L CB 0.580 42.615 42.059 -0.039 0.000 1.159 193 L HN 0.721 nan 8.230 nan 0.000 0.442 194 K N 3.458 123.876 120.400 0.030 0.000 2.172 194 K HA 0.214 4.574 4.320 0.066 0.000 0.203 194 K C -0.119 176.512 176.600 0.051 0.000 1.040 194 K CA 0.320 56.631 56.287 0.039 0.000 0.974 194 K CB 0.405 32.928 32.500 0.039 0.000 0.857 194 K HN 0.741 nan 8.250 nan 0.000 0.464 195 N N -0.723 118.017 118.700 0.066 0.000 2.242 195 N HA 0.116 4.895 4.740 0.066 0.000 0.292 195 N C -2.047 173.576 175.510 0.188 0.000 1.125 195 N CA -0.492 52.618 53.050 0.101 0.000 0.783 195 N CB 1.702 40.235 38.487 0.077 0.000 1.558 195 N HN 0.099 nan 8.380 nan 0.000 0.472 196 W N 2.647 123.930 121.300 -0.028 0.000 2.664 196 W HA 0.425 5.126 4.660 0.069 0.000 0.314 196 W C -2.014 174.487 176.519 -0.029 0.000 1.010 196 W CA -0.647 56.679 57.345 -0.032 0.000 1.306 196 W CB 0.362 29.792 29.460 -0.050 0.000 1.254 196 W HN 0.095 nan 8.180 nan 0.000 0.404 197 V N 6.910 126.988 119.914 0.274 0.000 2.313 197 V HA 0.218 4.378 4.120 0.066 0.000 0.278 197 V C 0.356 176.507 176.094 0.095 0.000 1.017 197 V CA -0.997 61.347 62.300 0.073 0.000 0.823 197 V CB 1.017 32.876 31.823 0.060 0.000 1.010 197 V HN 0.196 nan 8.190 nan 0.000 0.443 198 V N 6.343 126.213 119.914 -0.074 0.000 2.584 198 V HA 0.033 4.193 4.120 0.066 0.000 0.303 198 V C 1.283 177.402 176.094 0.041 0.000 1.035 198 V CA 0.530 62.826 62.300 -0.007 0.000 1.172 198 V CB -0.138 31.596 31.823 -0.148 0.000 0.896 198 V HN 1.097 nan 8.190 nan 0.000 0.486 199 N N 2.866 121.618 118.700 0.086 0.000 2.800 199 N HA -0.189 4.591 4.740 0.066 0.000 0.250 199 N C 0.812 176.350 175.510 0.046 0.000 1.078 199 N CA 1.600 54.683 53.050 0.056 0.000 0.804 199 N CB -0.659 37.847 38.487 0.031 0.000 1.135 199 N HN 0.940 nan 8.380 nan 0.000 0.565 200 E N -0.462 119.778 120.200 0.066 0.000 3.100 200 E HA 0.230 4.619 4.350 0.066 0.000 0.191 200 E C 0.268 176.904 176.600 0.060 0.000 1.097 200 E CA 0.144 56.575 56.400 0.050 0.000 1.339 200 E CB 0.859 30.584 29.700 0.041 0.000 1.330 200 E HN 0.411 nan 8.360 nan 0.000 0.511 201 R N -0.148 120.410 120.500 0.098 0.000 2.709 201 R HA 0.447 4.827 4.340 0.066 0.000 0.270 201 R C -1.718 174.659 176.300 0.130 0.000 1.038 201 R CA -0.669 55.484 56.100 0.088 0.000 0.872 201 R CB 0.506 30.836 30.300 0.051 0.000 1.259 201 R HN -0.026 nan 8.270 nan 0.000 0.473 202 I N 2.036 122.649 120.570 0.070 0.000 2.389 202 I HA 0.382 4.591 4.170 0.066 0.000 0.288 202 I C -0.778 175.359 176.117 0.034 0.000 0.999 202 I CA -1.190 60.116 61.300 0.009 0.000 1.129 202 I CB 2.274 40.170 38.000 -0.174 0.000 1.288 202 I HN 0.315 nan 8.210 nan 0.000 0.444 203 V N 7.425 127.356 119.914 0.029 0.000 2.409 203 V HA 0.477 4.636 4.120 0.066 0.000 0.291 203 V C -0.055 176.046 176.094 0.012 0.000 1.020 203 V CA -0.541 61.768 62.300 0.016 0.000 0.848 203 V CB 1.715 33.551 31.823 0.021 0.000 0.990 203 V HN 0.472 nan 8.190 nan 0.000 0.430 204 L N 4.980 126.204 121.223 0.001 0.000 2.334 204 L HA 0.741 5.121 4.340 0.066 0.000 0.273 204 L C 0.017 176.944 176.870 0.095 0.000 1.013 204 L CA -0.545 54.311 54.840 0.025 0.000 0.816 204 L CB 1.947 43.991 42.059 -0.025 0.000 1.278 204 L HN 0.790 nan 8.230 nan 0.000 0.431 205 E N 2.084 122.389 120.200 0.174 0.000 2.312 205 E HA 0.401 4.791 4.350 0.066 0.000 0.267 205 E C -0.825 175.916 176.600 0.235 0.000 0.894 205 E CA -1.107 55.414 56.400 0.202 0.000 0.773 205 E CB 2.176 31.933 29.700 0.096 0.000 1.241 205 E HN 0.462 nan 8.360 nan 0.000 0.432 206 R N 1.655 122.243 120.500 0.147 0.000 2.566 206 R HA -0.104 4.275 4.340 0.066 0.000 0.273 206 R C -0.604 175.619 176.300 -0.129 0.000 0.981 206 R CA 0.227 56.226 56.100 -0.169 0.000 1.091 206 R CB 0.228 30.470 30.300 -0.095 0.000 0.924 206 R HN 0.590 nan 8.270 nan 0.000 0.411 207 N N 5.426 123.992 118.700 -0.224 0.000 2.527 207 N HA 0.214 4.994 4.740 0.066 0.000 0.236 207 N C -2.144 173.344 175.510 -0.036 0.000 0.999 207 N CA -2.423 50.574 53.050 -0.089 0.000 0.935 207 N CB 1.625 40.054 38.487 -0.095 0.000 1.132 207 N HN 0.356 nan 8.380 nan 0.000 0.511 208 P HA -0.069 nan 4.420 nan 0.000 0.226 208 P C 0.675 178.001 177.300 0.042 0.000 1.153 208 P CA 0.944 64.052 63.100 0.013 0.000 0.777 208 P CB 0.421 32.131 31.700 0.017 0.000 0.794 209 Q N -1.964 117.879 119.800 0.071 0.000 2.432 209 Q HA -0.030 4.350 4.340 0.066 0.000 0.205 209 Q C 0.445 176.522 176.000 0.128 0.000 0.945 209 Q CA 0.059 55.922 55.803 0.100 0.000 0.924 209 Q CB -0.687 28.127 28.738 0.126 0.000 1.016 209 Q HN 0.335 nan 8.270 nan 0.000 0.503 210 Y N 2.516 122.793 120.300 -0.039 0.000 2.717 210 Y HA -0.189 4.398 4.550 0.061 0.000 0.330 210 Y C 1.343 177.210 175.900 -0.055 0.000 1.217 210 Y CA -0.530 57.521 58.100 -0.082 0.000 1.506 210 Y CB 0.273 38.602 38.460 -0.219 0.000 1.268 210 Y HN 0.242 nan 8.280 nan 0.000 0.561 211 W N 4.113 125.104 121.300 -0.514 0.000 2.325 211 W HA -0.207 4.490 4.660 0.063 0.000 0.299 211 W C 0.306 176.519 176.519 -0.510 0.000 1.215 211 W CA 1.404 58.487 57.345 -0.436 0.000 1.244 211 W CB -0.397 28.851 29.460 -0.353 0.000 1.140 211 W HN 0.524 nan 8.180 nan 0.000 0.523 212 D N 0.726 120.042 120.400 -1.806 0.000 2.427 212 D HA -0.023 4.656 4.640 0.066 0.000 0.224 212 D C 1.483 177.461 176.300 -0.536 0.000 1.157 212 D CA 0.076 53.319 54.000 -1.260 0.000 0.828 212 D CB -0.634 39.074 40.800 -1.820 0.000 0.974 212 D HN 0.039 nan 8.370 nan 0.000 0.498 213 N N 0.428 118.941 118.700 -0.313 0.000 2.137 213 N HA -0.216 4.563 4.740 0.066 0.000 0.190 213 N C 1.669 177.136 175.510 -0.071 0.000 1.017 213 N CA 1.688 54.696 53.050 -0.070 0.000 0.859 213 N CB -0.024 38.444 38.487 -0.031 0.000 1.002 213 N HN 0.152 nan 8.380 nan 0.000 0.428 214 A N 0.170 122.941 122.820 -0.082 0.000 2.024 214 A HA -0.124 4.236 4.320 0.066 0.000 0.220 214 A C 1.900 179.458 177.584 -0.044 0.000 1.164 214 A CA 1.318 53.326 52.037 -0.048 0.000 0.643 214 A CB -0.298 18.679 19.000 -0.038 0.000 0.806 214 A HN 0.397 nan 8.150 nan 0.000 0.451 215 K N -0.391 119.970 120.400 -0.065 0.000 2.426 215 K HA 0.053 4.412 4.320 0.066 0.000 0.193 215 K C -0.150 176.446 176.600 -0.008 0.000 1.028 215 K CA 0.184 56.447 56.287 -0.039 0.000 1.047 215 K CB 0.064 32.532 32.500 -0.052 0.000 0.821 215 K HN 0.304 nan 8.250 nan 0.000 0.513 216 T N 1.033 115.579 114.554 -0.014 0.000 2.901 216 T HA 0.070 4.459 4.350 0.066 0.000 0.301 216 T C 1.302 176.026 174.700 0.039 0.000 1.012 216 T CA -0.175 61.931 62.100 0.009 0.000 1.135 216 T CB 1.723 70.546 68.868 -0.075 0.000 0.936 216 T HN -0.187 nan 8.240 nan 0.000 0.539 217 V N 2.857 122.830 119.914 0.098 0.000 2.911 217 V HA 0.177 4.337 4.120 0.066 0.000 0.237 217 V C 1.000 177.174 176.094 0.134 0.000 1.156 217 V CA 0.154 62.520 62.300 0.110 0.000 1.180 217 V CB 0.139 32.048 31.823 0.143 0.000 0.932 217 V HN 0.719 nan 8.190 nan 0.000 0.483 218 I N 2.756 123.438 120.570 0.187 0.000 2.598 218 I HA 0.069 4.278 4.170 0.066 0.000 0.284 218 I C 0.982 177.240 176.117 0.235 0.000 1.140 218 I CA 0.561 61.973 61.300 0.187 0.000 1.420 218 I CB 0.513 38.613 38.000 0.167 0.000 1.387 218 I HN 0.332 nan 8.210 nan 0.000 0.553 219 N N 4.399 123.194 118.700 0.157 0.000 2.395 219 N HA -0.026 4.754 4.740 0.066 0.000 0.175 219 N C 0.454 176.073 175.510 0.182 0.000 1.029 219 N CA 0.529 53.667 53.050 0.148 0.000 0.897 219 N CB 0.563 39.097 38.487 0.078 0.000 0.991 219 N HN 0.650 nan 8.380 nan 0.000 0.441 220 Q N 0.541 120.412 119.800 0.118 0.000 2.295 220 Q HA 0.410 4.789 4.340 0.066 0.000 0.268 220 Q C -2.111 173.852 176.000 -0.061 0.000 1.010 220 Q CA -0.426 55.409 55.803 0.052 0.000 0.856 220 Q CB 2.397 31.152 28.738 0.027 0.000 1.349 220 Q HN -0.109 nan 8.270 nan 0.000 0.412 221 V N 2.867 122.681 119.914 -0.166 0.000 2.656 221 V HA 0.729 4.889 4.120 0.066 0.000 0.307 221 V C -1.264 174.685 176.094 -0.241 0.000 1.051 221 V CA -0.038 62.093 62.300 -0.282 0.000 0.893 221 V CB 2.388 33.926 31.823 -0.475 0.000 0.999 221 V HN 0.903 nan 8.190 nan 0.000 0.426 222 T N 6.419 120.810 114.554 -0.271 0.000 2.807 222 T HA 0.598 4.988 4.350 0.066 0.000 0.279 222 T C -1.390 173.121 174.700 -0.314 0.000 0.993 222 T CA 0.038 62.030 62.100 -0.180 0.000 0.970 222 T CB 1.014 69.819 68.868 -0.104 0.000 0.950 222 T HN 0.562 nan 8.240 nan 0.000 0.441 223 Y N 2.421 122.651 120.300 -0.117 0.000 2.335 223 Y HA 0.553 5.141 4.550 0.063 0.000 0.338 223 Y C 0.133 175.975 175.900 -0.096 0.000 0.977 223 Y CA -0.918 57.108 58.100 -0.123 0.000 1.114 223 Y CB 0.956 39.318 38.460 -0.164 0.000 1.182 223 Y HN 0.395 nan 8.280 nan 0.000 0.463 224 L N 5.916 127.159 121.223 0.035 0.000 2.352 224 L HA 0.522 4.901 4.340 0.066 0.000 0.269 224 L C -1.986 174.871 176.870 -0.022 0.000 1.034 224 L CA -1.970 52.873 54.840 0.006 0.000 0.806 224 L CB 1.833 43.883 42.059 -0.014 0.000 1.244 224 L HN 0.425 nan 8.230 nan 0.000 0.447 225 P HA 0.272 nan 4.420 nan 0.000 0.253 225 P C -0.406 176.842 177.300 -0.086 0.000 1.863 225 P CA -0.069 62.989 63.100 -0.071 0.000 1.145 225 P CB -0.007 31.686 31.700 -0.012 0.000 1.666 226 I N 1.106 121.623 120.570 -0.088 0.000 2.379 226 I HA 0.051 4.261 4.170 0.066 0.000 0.290 226 I C 1.619 177.676 176.117 -0.101 0.000 1.063 226 I CA 0.070 61.330 61.300 -0.066 0.000 1.351 226 I CB 0.954 38.933 38.000 -0.035 0.000 1.410 226 I HN 0.019 nan 8.210 nan 0.000 0.505 227 S N 2.272 117.924 115.700 -0.080 0.000 2.503 227 S HA -0.008 4.502 4.470 0.066 0.000 0.217 227 S C 0.973 175.550 174.600 -0.038 0.000 0.999 227 S CA -0.343 57.806 58.200 -0.085 0.000 0.914 227 S CB 0.133 63.298 63.200 -0.058 0.000 0.782 227 S HN 0.596 nan 8.310 nan 0.000 0.520 228 S N 1.324 117.011 115.700 -0.021 0.000 2.448 228 S HA 0.255 4.765 4.470 0.066 0.000 0.279 228 S C 0.634 175.229 174.600 -0.009 0.000 1.195 228 S CA -0.523 57.672 58.200 -0.008 0.000 1.051 228 S CB 0.730 63.930 63.200 0.001 0.000 0.948 228 S HN 0.346 nan 8.310 nan 0.000 0.493 229 E N 3.533 123.726 120.200 -0.013 0.000 2.204 229 E HA -0.067 4.323 4.350 0.066 0.000 0.194 229 E C 1.856 178.453 176.600 -0.005 0.000 0.989 229 E CA 0.899 57.294 56.400 -0.008 0.000 0.824 229 E CB -0.128 29.556 29.700 -0.028 0.000 0.756 229 E HN 0.573 nan 8.360 nan 0.000 0.477 230 V N 0.635 120.546 119.914 -0.004 0.000 2.307 230 V HA -0.269 3.891 4.120 0.066 0.000 0.245 230 V C 2.102 178.202 176.094 0.011 0.000 1.045 230 V CA 2.227 64.530 62.300 0.004 0.000 1.024 230 V CB -0.752 31.073 31.823 0.004 0.000 0.651 230 V HN 0.343 nan 8.190 nan 0.000 0.449 231 T N -0.528 114.032 114.554 0.010 0.000 2.788 231 T HA -0.211 4.179 4.350 0.066 0.000 0.268 231 T C 1.754 176.468 174.700 0.023 0.000 1.044 231 T CA 1.671 63.780 62.100 0.015 0.000 1.139 231 T CB -0.375 68.498 68.868 0.009 0.000 0.867 231 T HN 0.533 nan 8.240 nan 0.000 0.454 232 D N 1.058 121.468 120.400 0.018 0.000 2.084 232 D HA -0.089 4.590 4.640 0.066 0.000 0.194 232 D C 2.158 178.487 176.300 0.048 0.000 0.990 232 D CA 0.801 54.818 54.000 0.028 0.000 0.826 232 D CB -0.481 40.331 40.800 0.020 0.000 0.971 232 D HN 0.182 nan 8.370 nan 0.000 0.453 233 V N 1.119 121.046 119.914 0.021 0.000 2.332 233 V HA -0.248 3.912 4.120 0.066 0.000 0.248 233 V C 2.255 178.404 176.094 0.092 0.000 1.055 233 V CA 1.787 64.103 62.300 0.026 0.000 1.038 233 V CB -0.657 31.161 31.823 -0.008 0.000 0.651 233 V HN 0.249 nan 8.190 nan 0.000 0.450 234 N N 0.462 119.199 118.700 0.061 0.000 2.069 234 N HA -0.161 4.618 4.740 0.066 0.000 0.191 234 N C 1.937 177.490 175.510 0.072 0.000 1.031 234 N CA 1.482 54.567 53.050 0.059 0.000 0.852 234 N CB -0.362 38.146 38.487 0.035 0.000 1.018 234 N HN 0.491 nan 8.380 nan 0.000 0.423 235 R N -0.810 119.734 120.500 0.072 0.000 2.236 235 R HA -0.023 4.356 4.340 0.066 0.000 0.208 235 R C 1.764 178.114 176.300 0.085 0.000 1.036 235 R CA 0.259 56.395 56.100 0.060 0.000 1.001 235 R CB -0.176 30.149 30.300 0.041 0.000 0.896 235 R HN 0.344 nan 8.270 nan 0.000 0.464 236 Y N 1.529 121.819 120.300 -0.017 0.000 2.153 236 Y HA -0.107 4.481 4.550 0.063 0.000 0.289 236 Y C 2.008 177.899 175.900 -0.016 0.000 1.127 236 Y CA 1.382 59.464 58.100 -0.030 0.000 1.131 236 Y CB 0.111 38.538 38.460 -0.056 0.000 0.995 236 Y HN -0.209 nan 8.280 nan 0.000 0.505 237 R N -0.043 120.568 120.500 0.185 0.000 2.189 237 R HA -0.091 4.288 4.340 0.066 0.000 0.223 237 R C 2.416 178.724 176.300 0.013 0.000 1.092 237 R CA 1.167 57.316 56.100 0.081 0.000 0.989 237 R CB -0.444 29.931 30.300 0.125 0.000 0.876 237 R HN 0.487 nan 8.270 nan 0.000 0.457 238 S N -0.827 114.884 115.700 0.018 0.000 2.481 238 S HA 0.030 4.539 4.470 0.066 0.000 0.231 238 S C 1.516 176.116 174.600 -0.001 0.000 0.996 238 S CA 0.869 59.075 58.200 0.011 0.000 0.942 238 S CB 0.419 63.628 63.200 0.016 0.000 0.768 238 S HN 0.498 nan 8.310 nan 0.000 0.520 239 G N 0.802 109.586 108.800 -0.027 0.000 2.218 239 G HA2 -0.261 3.739 3.960 0.066 0.000 0.216 239 G HA3 -0.261 3.739 3.960 0.066 0.000 0.216 239 G C 0.635 175.535 174.900 0.000 0.000 0.994 239 G CA 0.430 45.528 45.100 -0.003 0.000 0.637 239 G HN 0.514 nan 8.290 nan 0.000 0.505 240 E N -0.098 120.098 120.200 -0.007 0.000 2.072 240 E HA 0.105 4.495 4.350 0.066 0.000 0.191 240 E C 0.876 177.474 176.600 -0.003 0.000 0.985 240 E CA 0.492 56.892 56.400 0.001 0.000 0.801 240 E CB -0.019 29.683 29.700 0.005 0.000 0.750 240 E HN 0.601 nan 8.360 nan 0.000 0.452 241 I N 1.610 122.175 120.570 -0.009 0.000 2.359 241 I HA 0.057 4.266 4.170 0.066 0.000 0.294 241 I C 0.328 176.418 176.117 -0.046 0.000 0.987 241 I CA -0.553 60.751 61.300 0.008 0.000 1.225 241 I CB 1.572 39.622 38.000 0.084 0.000 1.366 241 I HN -0.011 nan 8.210 nan 0.000 0.466 242 D N 5.323 125.705 120.400 -0.030 0.000 2.277 242 D HA 0.156 4.836 4.640 0.066 0.000 0.209 242 D C 0.219 176.508 176.300 -0.019 0.000 0.970 242 D CA 1.310 55.259 54.000 -0.085 0.000 0.874 242 D CB 0.567 41.351 40.800 -0.027 0.000 0.982 242 D HN 0.408 nan 8.370 nan 0.000 0.504 243 M N 0.816 120.420 119.600 0.007 0.000 2.183 243 M HA 0.151 4.670 4.480 0.066 0.000 0.277 243 M C -0.231 176.044 176.300 -0.042 0.000 0.995 243 M CA -0.444 54.822 55.300 -0.056 0.000 0.969 243 M CB 2.660 35.132 32.600 -0.213 0.000 1.659 243 M HN -0.212 nan 8.290 nan 0.000 0.462 244 T N -0.498 114.001 114.554 -0.091 0.000 2.726 244 T HA 0.261 4.651 4.350 0.066 0.000 0.294 244 T C -0.166 174.511 174.700 -0.039 0.000 1.013 244 T CA -0.240 61.818 62.100 -0.070 0.000 0.996 244 T CB 0.878 69.645 68.868 -0.168 0.000 1.016 244 T HN 0.476 nan 8.240 nan 0.000 0.529 245 Y N 1.758 121.989 120.300 -0.115 0.000 2.281 245 Y HA 0.268 4.859 4.550 0.068 0.000 0.337 245 Y C 0.902 176.738 175.900 -0.105 0.000 1.304 245 Y CA -1.083 56.953 58.100 -0.107 0.000 1.465 245 Y CB 0.482 38.884 38.460 -0.096 0.000 1.350 245 Y HN 0.802 nan 8.280 nan 0.000 0.575 246 N N 2.704 120.906 118.700 -0.831 0.000 3.301 246 N HA 0.171 4.951 4.740 0.066 0.000 0.289 246 N C -1.814 173.458 175.510 -0.398 0.000 1.343 246 N CA -0.307 52.436 53.050 -0.512 0.000 1.136 246 N CB -0.575 37.639 38.487 -0.456 0.000 1.402 246 N HN 0.391 nan 8.380 nan 0.000 0.516 247 N N 1.044 119.621 118.700 -0.204 0.000 2.480 247 N HA 0.325 5.105 4.740 0.066 0.000 0.289 247 N C -0.952 174.521 175.510 -0.062 0.000 1.073 247 N CA -0.277 52.759 53.050 -0.024 0.000 0.885 247 N CB 1.513 40.067 38.487 0.111 0.000 1.421 247 N HN 0.229 nan 8.380 nan 0.000 0.503 248 M N 2.446 121.969 119.600 -0.129 0.000 2.404 248 M HA 0.484 5.003 4.480 0.066 0.000 0.338 248 M C -2.299 173.922 176.300 -0.133 0.000 1.150 248 M CA -2.101 53.115 55.300 -0.140 0.000 1.016 248 M CB 1.631 34.071 32.600 -0.267 0.000 1.672 248 M HN 0.179 nan 8.290 nan 0.000 0.448 249 P HA 0.235 nan 4.420 nan 0.000 0.276 249 P C 0.574 177.860 177.300 -0.023 0.000 1.230 249 P CA -0.091 62.985 63.100 -0.041 0.000 0.776 249 P CB 0.972 32.667 31.700 -0.008 0.000 0.888 250 I N 1.798 122.338 120.570 -0.050 0.000 2.394 250 I HA -0.248 3.962 4.170 0.066 0.000 0.251 250 I C 2.068 178.189 176.117 0.007 0.000 1.136 250 I CA 1.514 62.794 61.300 -0.033 0.000 1.425 250 I CB -0.353 37.611 38.000 -0.062 0.000 1.079 250 I HN 0.339 nan 8.210 nan 0.000 0.425 251 E N 0.599 120.800 120.200 0.001 0.000 2.085 251 E HA -0.187 4.202 4.350 0.066 0.000 0.194 251 E C 1.952 178.564 176.600 0.021 0.000 0.994 251 E CA 1.372 57.777 56.400 0.007 0.000 0.801 251 E CB -0.050 29.651 29.700 0.002 0.000 0.743 251 E HN 0.458 nan 8.360 nan 0.000 0.453 252 L N -1.382 119.865 121.223 0.039 0.000 2.672 252 L HA 0.173 4.553 4.340 0.066 0.000 0.236 252 L C 1.631 178.533 176.870 0.053 0.000 1.092 252 L CA -0.288 54.573 54.840 0.035 0.000 0.887 252 L CB 0.004 42.079 42.059 0.026 0.000 1.168 252 L HN 0.075 nan 8.230 nan 0.000 0.502 253 F N 1.919 121.831 119.950 -0.064 0.000 2.091 253 F HA -0.286 4.279 4.527 0.063 0.000 0.299 253 F C 2.661 178.423 175.800 -0.064 0.000 1.103 253 F CA 1.809 59.765 58.000 -0.073 0.000 1.228 253 F CB -0.020 38.931 39.000 -0.081 0.000 0.984 253 F HN 0.078 nan 8.300 nan 0.000 0.477 254 Q N 0.451 120.230 119.800 -0.035 0.000 2.096 254 Q HA -0.195 4.185 4.340 0.066 0.000 0.204 254 Q C 2.246 178.136 176.000 -0.184 0.000 0.982 254 Q CA 1.361 57.081 55.803 -0.139 0.000 0.850 254 Q CB -0.678 28.042 28.738 -0.030 0.000 0.901 254 Q HN 0.337 nan 8.270 nan 0.000 0.422 255 K N 0.806 121.135 120.400 -0.118 0.000 2.063 255 K HA -0.057 4.302 4.320 0.066 0.000 0.208 255 K C 2.315 178.827 176.600 -0.147 0.000 1.048 255 K CA 0.784 57.009 56.287 -0.104 0.000 0.928 255 K CB -0.555 31.909 32.500 -0.060 0.000 0.713 255 K HN 0.246 nan 8.250 nan 0.000 0.442 256 L N 0.685 121.791 121.223 -0.195 0.000 2.042 256 L HA -0.200 4.180 4.340 0.066 0.000 0.210 256 L C 2.438 179.142 176.870 -0.278 0.000 1.076 256 L CA 1.188 55.898 54.840 -0.217 0.000 0.749 256 L CB -0.423 41.496 42.059 -0.233 0.000 0.893 256 L HN 0.069 nan 8.230 nan 0.000 0.432 257 K N 0.225 120.370 120.400 -0.425 0.000 2.209 257 K HA -0.138 4.222 4.320 0.066 0.000 0.204 257 K C 2.004 178.483 176.600 -0.203 0.000 1.048 257 K CA 1.254 57.328 56.287 -0.355 0.000 0.940 257 K CB 0.115 32.355 32.500 -0.432 0.000 0.729 257 K HN 0.043 nan 8.250 nan 0.000 0.451 258 K N -0.005 120.292 120.400 -0.171 0.000 2.211 258 K HA 0.011 4.370 4.320 0.066 0.000 0.201 258 K C 1.878 178.427 176.600 -0.086 0.000 1.052 258 K CA 0.985 57.206 56.287 -0.109 0.000 0.973 258 K CB 0.122 32.568 32.500 -0.090 0.000 0.766 258 K HN 0.285 nan 8.250 nan 0.000 0.466 259 E N 0.580 120.725 120.200 -0.090 0.000 2.086 259 E HA 0.024 4.414 4.350 0.066 0.000 0.190 259 E C 0.635 177.203 176.600 -0.054 0.000 0.975 259 E CA 0.650 57.014 56.400 -0.060 0.000 0.813 259 E CB 0.338 30.009 29.700 -0.049 0.000 0.768 259 E HN 0.278 nan 8.360 nan 0.000 0.457 260 I N -3.043 117.485 120.570 -0.071 0.000 2.948 260 I HA 0.301 4.510 4.170 0.066 0.000 0.308 260 I C -2.353 173.717 176.117 -0.078 0.000 1.478 260 I CA -1.699 59.568 61.300 -0.055 0.000 0.843 260 I CB 1.305 39.290 38.000 -0.024 0.000 2.100 260 I HN -0.199 nan 8.210 nan 0.000 0.625 261 P HA -0.192 nan 4.420 nan 0.000 0.216 261 P C 0.903 178.160 177.300 -0.071 0.000 1.157 261 P CA 1.648 64.696 63.100 -0.087 0.000 0.880 261 P CB 0.037 31.695 31.700 -0.070 0.000 0.791 262 N N -0.229 118.439 118.700 -0.054 0.000 2.453 262 N HA -0.104 4.675 4.740 0.066 0.000 0.183 262 N C 1.506 176.984 175.510 -0.053 0.000 1.041 262 N CA 0.854 53.876 53.050 -0.046 0.000 0.900 262 N CB -0.336 38.129 38.487 -0.036 0.000 0.961 262 N HN 0.446 nan 8.380 nan 0.000 0.443 263 E N -0.283 119.881 120.200 -0.061 0.000 2.452 263 E HA 0.102 4.491 4.350 0.066 0.000 0.197 263 E C -0.233 176.312 176.600 -0.092 0.000 1.022 263 E CA -0.024 56.337 56.400 -0.065 0.000 0.890 263 E CB 0.775 30.464 29.700 -0.018 0.000 0.918 263 E HN -0.036 nan 8.360 nan 0.000 0.496 264 V N 3.882 123.741 119.914 -0.092 0.000 2.356 264 V HA 0.113 4.273 4.120 0.066 0.000 0.258 264 V C 0.084 176.158 176.094 -0.034 0.000 1.065 264 V CA -0.226 62.023 62.300 -0.084 0.000 0.935 264 V CB 0.163 31.910 31.823 -0.126 0.000 1.061 264 V HN 0.116 nan 8.190 nan 0.000 0.484 265 R N 4.045 124.535 120.500 -0.016 0.000 2.254 265 R HA 0.592 4.971 4.340 0.066 0.000 0.318 265 R C -0.878 175.436 176.300 0.023 0.000 1.031 265 R CA -0.478 55.632 56.100 0.016 0.000 0.905 265 R CB 1.652 32.003 30.300 0.085 0.000 1.050 265 R HN 0.409 nan 8.270 nan 0.000 0.456 266 V N 4.252 124.175 119.914 0.015 0.000 2.447 266 V HA 0.317 4.476 4.120 0.066 0.000 0.292 266 V C -0.497 175.592 176.094 -0.007 0.000 1.021 266 V CA -0.663 61.650 62.300 0.021 0.000 0.850 266 V CB 1.873 33.731 31.823 0.057 0.000 1.005 266 V HN 0.690 nan 8.190 nan 0.000 0.426 267 D N 4.688 125.075 120.400 -0.022 0.000 2.552 267 D HA 0.482 5.162 4.640 0.066 0.000 0.239 267 D C -2.847 173.455 176.300 0.003 0.000 1.139 267 D CA -1.431 52.548 54.000 -0.035 0.000 0.914 267 D CB 2.951 43.702 40.800 -0.081 0.000 1.461 267 D HN 0.188 nan 8.370 nan 0.000 0.462 268 P HA 0.089 nan 4.420 nan 0.000 0.269 268 P C -0.976 176.456 177.300 0.220 0.000 1.215 268 P CA 0.189 63.323 63.100 0.057 0.000 0.780 268 P CB 0.309 32.007 31.700 -0.003 0.000 0.898 269 Y N 1.487 121.889 120.300 0.171 0.000 2.399 269 Y HA 0.308 4.899 4.550 0.069 0.000 0.327 269 Y C -0.984 175.082 175.900 0.277 0.000 1.111 269 Y CA -1.149 57.056 58.100 0.176 0.000 1.047 269 Y CB 1.193 39.738 38.460 0.142 0.000 1.259 269 Y HN 0.148 nan 8.280 nan 0.000 0.434 270 L N 6.106 127.451 121.223 0.203 0.000 2.423 270 L HA 0.332 4.712 4.340 0.066 0.000 0.249 270 L C -0.829 175.996 176.870 -0.075 0.000 1.276 270 L CA 0.189 55.030 54.840 0.001 0.000 1.199 270 L CB -0.592 41.459 42.059 -0.015 0.000 1.407 270 L HN 0.543 nan 8.230 nan 0.000 0.410 271 c N -0.435 118.105 118.600 -0.099 0.000 2.898 271 c HA 0.681 5.291 4.570 0.066 0.000 0.304 271 c C 0.316 174.611 174.090 0.342 0.000 1.237 271 c CA -0.663 55.615 56.329 -0.085 0.000 1.529 271 c CB 2.228 44.211 42.510 -0.878 0.000 2.021 271 c HN 0.456 nan 8.230 nan 0.000 0.474 272 T N 1.292 116.138 114.554 0.487 0.000 2.841 272 T HA 0.408 4.798 4.350 0.066 0.000 0.285 272 T C -1.278 173.785 174.700 0.605 0.000 0.991 272 T CA -0.173 62.240 62.100 0.521 0.000 0.966 272 T CB 0.782 69.882 68.868 0.386 0.000 0.962 272 T HN 0.543 nan 8.240 nan 0.000 0.438 273 Y N 4.922 125.265 120.300 0.072 0.000 2.327 273 Y HA 0.553 5.142 4.550 0.065 0.000 0.336 273 Y C -0.812 174.986 175.900 -0.170 0.000 1.035 273 Y CA -0.765 57.167 58.100 -0.280 0.000 1.165 273 Y CB 0.399 38.017 38.460 -1.404 0.000 1.181 273 Y HN 0.699 nan 8.280 nan 0.000 0.494 274 Y N 2.581 122.722 120.300 -0.266 0.000 2.638 274 Y HA 0.564 5.153 4.550 0.065 0.000 0.335 274 Y C -2.384 173.267 175.900 -0.415 0.000 1.155 274 Y CA -2.377 55.606 58.100 -0.195 0.000 1.046 274 Y CB 0.509 38.953 38.460 -0.027 0.000 1.303 274 Y HN 0.402 nan 8.280 nan 0.000 0.460 275 Y N 1.335 121.730 120.300 0.158 0.000 2.367 275 Y HA 0.305 4.895 4.550 0.067 0.000 0.342 275 Y C 0.340 176.315 175.900 0.125 0.000 0.979 275 Y CA -0.768 57.383 58.100 0.085 0.000 1.161 275 Y CB 1.329 39.931 38.460 0.237 0.000 1.155 275 Y HN 0.686 nan 8.280 nan 0.000 0.503 276 E N 4.753 125.006 120.200 0.088 0.000 2.180 276 E HA 0.283 4.672 4.350 0.066 0.000 0.283 276 E C -0.954 175.764 176.600 0.196 0.000 1.061 276 E CA -0.251 56.234 56.400 0.142 0.000 0.861 276 E CB 0.452 30.150 29.700 -0.003 0.000 1.056 276 E HN 0.624 nan 8.360 nan 0.000 0.407 277 I N 4.172 124.798 120.570 0.093 0.000 2.396 277 I HA 0.071 4.281 4.170 0.066 0.000 0.292 277 I C 0.453 176.500 176.117 -0.117 0.000 0.999 277 I CA -0.719 60.531 61.300 -0.084 0.000 1.310 277 I CB 1.062 38.994 38.000 -0.113 0.000 1.404 277 I HN 0.499 nan 8.210 nan 0.000 0.496 278 N N 5.680 124.125 118.700 -0.425 0.000 2.448 278 N HA 0.068 4.848 4.740 0.066 0.000 0.250 278 N C 0.459 175.840 175.510 -0.215 0.000 1.136 278 N CA 0.323 53.057 53.050 -0.526 0.000 0.953 278 N CB 0.086 37.825 38.487 -1.247 0.000 1.251 278 N HN 0.505 nan 8.380 nan 0.000 0.502 279 N N 2.077 120.747 118.700 -0.050 0.000 2.520 279 N HA -0.087 4.692 4.740 0.066 0.000 0.185 279 N C 0.271 175.783 175.510 0.003 0.000 1.068 279 N CA 0.690 53.752 53.050 0.021 0.000 0.911 279 N CB 0.343 38.889 38.487 0.098 0.000 0.961 279 N HN 0.687 nan 8.380 nan 0.000 0.446 280 Q N 0.123 119.895 119.800 -0.046 0.000 2.360 280 Q HA 0.136 4.516 4.340 0.066 0.000 0.202 280 Q C 0.112 176.065 176.000 -0.078 0.000 0.915 280 Q CA 0.295 56.061 55.803 -0.062 0.000 0.943 280 Q CB 0.637 29.318 28.738 -0.094 0.000 1.064 280 Q HN 0.061 nan 8.270 nan 0.000 0.511 281 K N 1.088 121.449 120.400 -0.066 0.000 2.274 281 K HA 0.497 4.857 4.320 0.066 0.000 0.262 281 K C -1.056 175.567 176.600 0.040 0.000 0.961 281 K CA -0.392 55.878 56.287 -0.028 0.000 0.833 281 K CB 1.371 33.833 32.500 -0.062 0.000 1.102 281 K HN 0.003 nan 8.250 nan 0.000 0.436 282 A N 4.787 127.591 122.820 -0.028 0.000 2.462 282 A HA 0.230 4.589 4.320 0.066 0.000 0.243 282 A C -1.706 175.777 177.584 -0.168 0.000 1.076 282 A CA -0.893 51.087 52.037 -0.096 0.000 0.773 282 A CB -0.007 18.948 19.000 -0.074 0.000 1.010 282 A HN 0.644 nan 8.150 nan 0.000 0.493 283 P HA 0.138 nan 4.420 nan 0.000 0.258 283 P C 0.066 177.037 177.300 -0.549 0.000 1.416 283 P CA 0.248 63.099 63.100 -0.416 0.000 0.927 283 P CB -0.056 31.453 31.700 -0.319 0.000 1.444 284 F N 1.548 121.412 119.950 -0.143 0.000 2.802 284 F HA 0.012 4.579 4.527 0.067 0.000 0.300 284 F C 1.789 177.515 175.800 -0.122 0.000 1.168 284 F CA 0.352 58.245 58.000 -0.179 0.000 1.433 284 F CB -0.935 37.920 39.000 -0.243 0.000 1.115 284 F HN 0.052 nan 8.300 nan 0.000 0.582 285 N N -0.816 117.879 118.700 -0.008 0.000 2.383 285 N HA -0.077 4.703 4.740 0.066 0.000 0.192 285 N C -0.361 175.135 175.510 -0.024 0.000 1.141 285 N CA 0.271 53.315 53.050 -0.009 0.000 0.851 285 N CB -0.361 38.113 38.487 -0.023 0.000 0.976 285 N HN 0.097 nan 8.380 nan 0.000 0.465 286 D N 0.589 120.962 120.400 -0.045 0.000 2.329 286 D HA 0.052 4.732 4.640 0.066 0.000 0.232 286 D C 0.851 177.134 176.300 -0.028 0.000 1.088 286 D CA -0.508 53.468 54.000 -0.039 0.000 0.835 286 D CB 2.184 42.953 40.800 -0.051 0.000 1.078 286 D HN -0.162 nan 8.370 nan 0.000 0.495 287 V N 5.753 125.660 119.914 -0.010 0.000 2.568 287 V HA -0.232 3.928 4.120 0.066 0.000 0.253 287 V C 2.094 178.175 176.094 -0.022 0.000 1.072 287 V CA 1.799 64.094 62.300 -0.007 0.000 1.084 287 V CB -0.193 31.636 31.823 0.010 0.000 0.676 287 V HN 0.513 nan 8.190 nan 0.000 0.469 288 R N -0.815 119.674 120.500 -0.018 0.000 2.092 288 R HA -0.093 4.286 4.340 0.066 0.000 0.231 288 R C 2.158 178.432 176.300 -0.044 0.000 1.119 288 R CA 1.566 57.656 56.100 -0.017 0.000 0.970 288 R CB -0.563 29.739 30.300 0.003 0.000 0.864 288 R HN 0.486 nan 8.270 nan 0.000 0.440 289 V N 1.330 121.205 119.914 -0.064 0.000 2.307 289 V HA -0.229 3.931 4.120 0.066 0.000 0.245 289 V C 2.308 178.316 176.094 -0.143 0.000 1.045 289 V CA 1.741 63.957 62.300 -0.140 0.000 1.024 289 V CB -0.482 31.210 31.823 -0.218 0.000 0.651 289 V HN 0.309 nan 8.190 nan 0.000 0.449 290 R N -0.089 120.360 120.500 -0.086 0.000 2.081 290 R HA -0.133 4.246 4.340 0.066 0.000 0.235 290 R C 2.322 178.566 176.300 -0.093 0.000 1.131 290 R CA 1.880 57.938 56.100 -0.070 0.000 0.960 290 R CB -0.920 29.361 30.300 -0.031 0.000 0.856 290 R HN 0.483 nan 8.270 nan 0.000 0.436 291 T N 1.195 115.694 114.554 -0.092 0.000 2.788 291 T HA -0.102 4.288 4.350 0.066 0.000 0.268 291 T C 2.030 176.657 174.700 -0.122 0.000 1.044 291 T CA 1.346 63.373 62.100 -0.122 0.000 1.139 291 T CB -0.201 68.614 68.868 -0.088 0.000 0.867 291 T HN 0.390 nan 8.240 nan 0.000 0.454 292 A N 1.363 124.123 122.820 -0.101 0.000 1.877 292 A HA 0.000 4.360 4.320 0.066 0.000 0.216 292 A C 2.304 179.823 177.584 -0.109 0.000 1.186 292 A CA 1.208 53.190 52.037 -0.091 0.000 0.620 292 A CB -0.872 18.061 19.000 -0.111 0.000 0.822 292 A HN 0.467 nan 8.150 nan 0.000 0.443 293 L N -0.628 120.477 121.223 -0.197 0.000 2.046 293 L HA -0.218 4.161 4.340 0.066 0.000 0.208 293 L C 2.674 179.650 176.870 0.177 0.000 1.077 293 L CA 2.013 56.705 54.840 -0.246 0.000 0.747 293 L CB -0.448 41.352 42.059 -0.433 0.000 0.896 293 L HN 0.491 nan 8.230 nan 0.000 0.432 294 K N 0.656 121.083 120.400 0.045 0.000 2.026 294 K HA -0.180 4.180 4.320 0.066 0.000 0.208 294 K C 2.117 178.669 176.600 -0.080 0.000 1.048 294 K CA 1.378 57.667 56.287 0.004 0.000 0.929 294 K CB -0.057 32.327 32.500 -0.194 0.000 0.713 294 K HN 0.245 nan 8.250 nan 0.000 0.439 295 L N 0.164 121.298 121.223 -0.148 0.000 2.109 295 L HA -0.046 4.334 4.340 0.066 0.000 0.207 295 L C 2.531 179.479 176.870 0.129 0.000 1.086 295 L CA 0.921 55.708 54.840 -0.089 0.000 0.760 295 L CB -0.376 41.650 42.059 -0.056 0.000 0.910 295 L HN 0.248 nan 8.230 nan 0.000 0.437 296 A N -0.248 122.692 122.820 0.200 0.000 2.066 296 A HA -0.032 4.328 4.320 0.066 0.000 0.218 296 A C 1.075 178.868 177.584 0.349 0.000 1.157 296 A CA 0.177 52.384 52.037 0.284 0.000 0.670 296 A CB -0.364 18.809 19.000 0.288 0.000 0.804 296 A HN 0.209 nan 8.150 nan 0.000 0.453 297 L N 1.014 122.475 121.223 0.396 0.000 2.455 297 L HA 0.174 4.554 4.340 0.066 0.000 0.272 297 L C -0.337 176.610 176.870 0.128 0.000 1.174 297 L CA 0.018 54.936 54.840 0.130 0.000 0.869 297 L CB 0.349 42.478 42.059 0.118 0.000 1.130 297 L HN 0.164 nan 8.230 nan 0.000 0.474 298 D N 4.277 124.713 120.400 0.059 0.000 2.456 298 D HA 0.167 4.846 4.640 0.066 0.000 0.219 298 D C 1.020 177.359 176.300 0.065 0.000 1.126 298 D CA -0.208 53.839 54.000 0.077 0.000 0.890 298 D CB 0.606 41.435 40.800 0.048 0.000 1.025 298 D HN 0.560 nan 8.370 nan 0.000 0.511 299 R N 2.133 122.704 120.500 0.120 0.000 2.115 299 R HA -0.102 4.278 4.340 0.066 0.000 0.230 299 R C 1.452 177.790 176.300 0.063 0.000 1.111 299 R CA 1.171 57.343 56.100 0.119 0.000 0.976 299 R CB 0.055 30.484 30.300 0.215 0.000 0.870 299 R HN 0.383 nan 8.270 nan 0.000 0.445 300 D N 0.674 121.098 120.400 0.041 0.000 2.117 300 D HA -0.122 4.557 4.640 0.066 0.000 0.197 300 D C 1.675 177.973 176.300 -0.004 0.000 0.987 300 D CA 1.112 55.118 54.000 0.010 0.000 0.829 300 D CB 0.090 40.888 40.800 -0.003 0.000 0.961 300 D HN 0.130 nan 8.370 nan 0.000 0.460 301 I N -0.108 120.461 120.570 -0.002 0.000 2.142 301 I HA -0.234 3.976 4.170 0.066 0.000 0.240 301 I C 2.237 178.332 176.117 -0.036 0.000 1.078 301 I CA 0.766 62.055 61.300 -0.018 0.000 1.343 301 I CB -0.260 37.731 38.000 -0.016 0.000 1.046 301 I HN 0.116 nan 8.210 nan 0.000 0.405 302 I N 0.048 120.598 120.570 -0.034 0.000 2.099 302 I HA -0.271 3.938 4.170 0.066 0.000 0.239 302 I C 2.404 178.466 176.117 -0.092 0.000 1.066 302 I CA 1.502 62.770 61.300 -0.055 0.000 1.324 302 I CB -0.334 37.650 38.000 -0.027 0.000 1.037 302 I HN -0.021 nan 8.210 nan 0.000 0.401 303 V N 0.427 120.295 119.914 -0.077 0.000 2.379 303 V HA -0.209 3.950 4.120 0.066 0.000 0.245 303 V C 1.664 177.672 176.094 -0.142 0.000 1.044 303 V CA 2.290 64.496 62.300 -0.157 0.000 1.036 303 V CB -0.910 30.858 31.823 -0.091 0.000 0.664 303 V HN 0.450 nan 8.190 nan 0.000 0.453 304 N N -0.769 117.885 118.700 -0.077 0.000 2.415 304 N HA 0.023 4.803 4.740 0.066 0.000 0.174 304 N C 1.694 177.173 175.510 -0.052 0.000 1.048 304 N CA 0.294 53.308 53.050 -0.060 0.000 0.895 304 N CB 0.193 38.661 38.487 -0.032 0.000 1.036 304 N HN 0.388 nan 8.380 nan 0.000 0.449 305 K N 0.356 120.726 120.400 -0.051 0.000 2.216 305 K HA 0.132 4.491 4.320 0.066 0.000 0.207 305 K C 2.026 178.594 176.600 -0.052 0.000 1.041 305 K CA 0.763 57.025 56.287 -0.042 0.000 0.966 305 K CB -0.623 31.859 32.500 -0.031 0.000 0.955 305 K HN 0.081 nan 8.250 nan 0.000 0.468 306 V N 1.076 120.951 119.914 -0.065 0.000 2.788 306 V HA -0.037 4.122 4.120 0.066 0.000 0.251 306 V C 2.095 178.131 176.094 -0.097 0.000 1.068 306 V CA 1.662 63.919 62.300 -0.072 0.000 1.090 306 V CB -0.050 31.731 31.823 -0.071 0.000 0.710 306 V HN 0.233 nan 8.190 nan 0.000 0.467 307 K N 0.338 120.655 120.400 -0.138 0.000 2.216 307 K HA 0.129 4.488 4.320 0.066 0.000 0.207 307 K C 1.077 177.574 176.600 -0.172 0.000 1.041 307 K CA 0.591 56.760 56.287 -0.197 0.000 0.966 307 K CB -0.046 32.260 32.500 -0.323 0.000 0.955 307 K HN 0.514 nan 8.250 nan 0.000 0.468 308 N N 1.476 120.079 118.700 -0.160 0.000 2.686 308 N HA -0.213 4.567 4.740 0.066 0.000 0.261 308 N C -0.710 174.763 175.510 -0.063 0.000 1.001 308 N CA 0.477 53.469 53.050 -0.096 0.000 0.764 308 N CB -0.422 38.045 38.487 -0.033 0.000 0.898 308 N HN 0.480 nan 8.380 nan 0.000 0.544 309 Q N -0.610 119.074 119.800 -0.194 0.000 2.139 309 Q HA 0.225 4.605 4.340 0.066 0.000 0.219 309 Q C 1.279 177.195 176.000 -0.139 0.000 0.805 309 Q CA 0.448 56.100 55.803 -0.251 0.000 1.024 309 Q CB 0.821 29.136 28.738 -0.705 0.000 1.163 309 Q HN 0.632 nan 8.270 nan 0.000 0.485 310 G N 0.947 109.685 108.800 -0.102 0.000 2.179 310 G HA2 -0.173 3.827 3.960 0.066 0.000 0.220 310 G HA3 -0.173 3.827 3.960 0.066 0.000 0.220 310 G C -0.161 174.688 174.900 -0.085 0.000 0.990 310 G CA -0.244 44.821 45.100 -0.059 0.000 0.646 310 G HN 0.306 nan 8.290 nan 0.000 0.517 311 D N 0.071 120.352 120.400 -0.199 0.000 2.361 311 D HA 0.451 5.131 4.640 0.066 0.000 0.239 311 D C 0.108 176.378 176.300 -0.050 0.000 1.200 311 D CA 0.221 54.109 54.000 -0.186 0.000 0.915 311 D CB 1.378 41.763 40.800 -0.692 0.000 1.170 311 D HN 0.072 nan 8.370 nan 0.000 0.444 312 L N 1.814 123.104 121.223 0.111 0.000 2.341 312 L HA 0.314 4.694 4.340 0.066 0.000 0.278 312 L C -2.318 174.656 176.870 0.173 0.000 1.005 312 L CA -2.047 52.907 54.840 0.191 0.000 0.818 312 L CB 1.494 43.747 42.059 0.322 0.000 1.259 312 L HN 0.048 nan 8.230 nan 0.000 0.418 313 P HA 0.138 nan 4.420 nan 0.000 0.262 313 P C -1.056 176.304 177.300 0.100 0.000 1.182 313 P CA -0.045 63.194 63.100 0.232 0.000 0.761 313 P CB 0.520 32.450 31.700 0.383 0.000 0.795 314 A N 3.412 126.125 122.820 -0.179 0.000 2.324 314 A HA 0.578 4.938 4.320 0.066 0.000 0.330 314 A C -0.405 177.013 177.584 -0.278 0.000 1.165 314 A CA -0.435 51.175 52.037 -0.712 0.000 0.813 314 A CB 0.422 18.792 19.000 -1.050 0.000 1.197 314 A HN 0.684 nan 8.150 nan 0.000 0.484 315 Y N 0.175 120.270 120.300 -0.341 0.000 2.672 315 Y HA 0.494 5.084 4.550 0.066 0.000 0.252 315 Y C 0.245 176.117 175.900 -0.047 0.000 1.132 315 Y CA -0.154 57.753 58.100 -0.322 0.000 1.228 315 Y CB -0.402 37.389 38.460 -1.114 0.000 1.310 315 Y HN 0.694 nan 8.280 nan 0.000 0.549 316 S N -1.865 113.691 115.700 -0.241 0.000 2.671 316 S HA 0.343 4.853 4.470 0.066 0.000 0.277 316 S C -0.425 174.169 174.600 -0.011 0.000 1.165 316 S CA -0.541 57.612 58.200 -0.080 0.000 0.822 316 S CB 1.379 64.458 63.200 -0.200 0.000 1.150 316 S HN 0.105 nan 8.310 nan 0.000 0.479 317 Y N 1.959 122.148 120.300 -0.184 0.000 2.190 317 Y HA 0.303 4.895 4.550 0.069 0.000 0.290 317 Y C 1.174 176.866 175.900 -0.345 0.000 1.115 317 Y CA 1.211 59.175 58.100 -0.226 0.000 1.107 317 Y CB -0.875 37.445 38.460 -0.234 0.000 1.033 317 Y HN 0.731 nan 8.280 nan 0.000 0.502 318 T N 5.190 119.413 114.554 -0.552 0.000 2.867 318 T HA 0.123 4.513 4.350 0.066 0.000 0.297 318 T C -2.576 171.564 174.700 -0.934 0.000 0.989 318 T CA -0.771 60.676 62.100 -1.088 0.000 1.159 318 T CB 0.687 69.180 68.868 -0.625 0.000 0.928 318 T HN 0.091 nan 8.240 nan 0.000 0.538 319 P HA 0.133 nan 4.420 nan 0.000 0.271 319 P C -1.717 174.919 177.300 -1.106 0.000 1.216 319 P CA -1.468 60.882 63.100 -1.249 0.000 0.771 319 P CB 0.289 31.174 31.700 -1.358 0.000 0.864 320 P HA -0.127 nan 4.420 nan 0.000 0.228 320 P C 0.378 177.510 177.300 -0.280 0.000 1.151 320 P CA 1.405 64.224 63.100 -0.468 0.000 0.770 320 P CB -0.345 31.197 31.700 -0.264 0.000 0.786 321 Y N -2.496 117.618 120.300 -0.311 0.000 2.524 321 Y HA 0.421 5.009 4.550 0.063 0.000 0.266 321 Y C 0.407 176.211 175.900 -0.161 0.000 1.180 321 Y CA -1.072 56.918 58.100 -0.184 0.000 1.244 321 Y CB -1.557 36.817 38.460 -0.143 0.000 1.125 321 Y HN -0.337 nan 8.280 nan 0.000 0.524 322 T N 2.148 116.426 114.554 -0.461 0.000 2.930 322 T HA -0.078 4.312 4.350 0.066 0.000 0.306 322 T C -0.156 174.447 174.700 -0.161 0.000 1.045 322 T CA -0.173 61.730 62.100 -0.327 0.000 1.134 322 T CB 0.369 68.974 68.868 -0.438 0.000 0.961 322 T HN 0.286 nan 8.240 nan 0.000 0.545 323 D N 1.227 121.573 120.400 -0.089 0.000 2.451 323 D HA 0.186 4.865 4.640 0.066 0.000 0.254 323 D C 1.290 177.563 176.300 -0.045 0.000 1.204 323 D CA 1.418 55.400 54.000 -0.030 0.000 0.896 323 D CB -0.214 40.592 40.800 0.010 0.000 1.136 323 D HN 0.869 nan 8.370 nan 0.000 0.499 324 G N 2.472 111.266 108.800 -0.010 0.000 2.179 324 G HA2 -0.109 3.890 3.960 0.066 0.000 0.220 324 G HA3 -0.109 3.890 3.960 0.066 0.000 0.220 324 G C 0.322 175.248 174.900 0.043 0.000 0.990 324 G CA 0.176 45.298 45.100 0.037 0.000 0.646 324 G HN 0.902 nan 8.290 nan 0.000 0.517 325 A N 0.233 123.025 122.820 -0.047 0.000 2.328 325 A HA 0.755 5.115 4.320 0.066 0.000 0.284 325 A C 0.384 177.954 177.584 -0.025 0.000 1.160 325 A CA 0.123 52.122 52.037 -0.063 0.000 0.818 325 A CB 0.515 19.398 19.000 -0.195 0.000 1.087 325 A HN 0.349 nan 8.150 nan 0.000 0.504 326 K N 3.333 123.737 120.400 0.006 0.000 3.029 326 K HA 0.317 4.677 4.320 0.066 0.000 0.169 326 K C -1.144 175.465 176.600 0.015 0.000 1.090 326 K CA 0.003 56.296 56.287 0.010 0.000 0.883 326 K CB 0.799 33.309 32.500 0.016 0.000 1.080 326 K HN 0.679 nan 8.250 nan 0.000 0.613 327 L N 1.167 122.399 121.223 0.014 0.000 2.395 327 L HA 0.376 4.755 4.340 0.066 0.000 0.269 327 L C 0.266 177.157 176.870 0.035 0.000 1.133 327 L CA -1.094 53.771 54.840 0.043 0.000 0.812 327 L CB 1.140 43.241 42.059 0.070 0.000 1.125 327 L HN 0.002 nan 8.230 nan 0.000 0.452 328 V N 1.918 121.844 119.914 0.020 0.000 2.364 328 V HA 0.088 4.248 4.120 0.066 0.000 0.272 328 V C 0.388 176.395 176.094 -0.144 0.000 1.036 328 V CA -0.515 61.757 62.300 -0.046 0.000 0.880 328 V CB 1.151 32.958 31.823 -0.027 0.000 0.991 328 V HN 0.742 nan 8.190 nan 0.000 0.460 329 E N 8.439 128.441 120.200 -0.329 0.000 2.299 329 E HA 0.182 4.572 4.350 0.066 0.000 0.272 329 E C -2.163 174.140 176.600 -0.494 0.000 1.043 329 E CA -1.452 54.492 56.400 -0.759 0.000 0.895 329 E CB 0.948 30.162 29.700 -0.811 0.000 1.011 329 E HN 0.462 nan 8.360 nan 0.000 0.432 330 P HA 0.004 nan 4.420 nan 0.000 0.272 330 P C 0.185 177.190 177.300 -0.493 0.000 1.223 330 P CA -0.132 62.716 63.100 -0.420 0.000 0.784 330 P CB 0.941 32.391 31.700 -0.416 0.000 0.923 331 E N 1.764 121.783 120.200 -0.301 0.000 2.118 331 E HA -0.156 4.233 4.350 0.066 0.000 0.195 331 E C 1.892 178.038 176.600 -0.758 0.000 0.992 331 E CA 1.402 57.628 56.400 -0.289 0.000 0.804 331 E CB -0.545 29.155 29.700 0.000 0.000 0.741 331 E HN 0.718 nan 8.360 nan 0.000 0.458 332 W N -0.001 120.679 121.300 -1.033 0.000 2.364 332 W HA -0.179 4.521 4.660 0.066 0.000 0.281 332 W C 1.709 177.859 176.519 -0.614 0.000 1.219 332 W CA 0.368 56.793 57.345 -1.532 0.000 1.220 332 W CB -1.185 27.686 29.460 -0.981 0.000 1.127 332 W HN -0.041 nan 8.180 nan 0.000 0.556 333 F N 2.753 122.085 119.950 -1.030 0.000 2.325 333 F HA -0.010 4.557 4.527 0.066 0.000 0.299 333 F C 2.221 177.837 175.800 -0.307 0.000 1.090 333 F CA 1.722 59.272 58.000 -0.750 0.000 1.392 333 F CB -0.219 38.165 39.000 -1.025 0.000 1.053 333 F HN -0.245 nan 8.300 nan 0.000 0.521 334 K N -0.896 119.348 120.400 -0.260 0.000 2.365 334 K HA -0.068 4.292 4.320 0.066 0.000 0.197 334 K C 0.371 177.019 176.600 0.080 0.000 1.042 334 K CA 0.036 56.254 56.287 -0.114 0.000 0.987 334 K CB -0.153 32.328 32.500 -0.032 0.000 0.779 334 K HN 0.073 nan 8.250 nan 0.000 0.484 335 W N 2.124 123.424 121.300 -0.000 0.000 1.900 335 W HA 0.024 4.724 4.660 0.067 0.000 0.357 335 W C 1.231 177.756 176.519 0.010 0.000 1.390 335 W CA -1.144 56.222 57.345 0.036 0.000 1.428 335 W CB -0.578 28.945 29.460 0.104 0.000 1.295 335 W HN -0.068 nan 8.180 nan 0.000 0.666 336 S N -0.153 115.721 115.700 0.290 0.000 2.652 336 S HA 0.129 4.639 4.470 0.066 0.000 0.270 336 S C 0.713 175.428 174.600 0.191 0.000 1.243 336 S CA -0.426 57.868 58.200 0.157 0.000 0.999 336 S CB 1.653 64.907 63.200 0.089 0.000 0.973 336 S HN 0.382 nan 8.310 nan 0.000 0.544 337 Q N 0.908 120.788 119.800 0.133 0.000 2.119 337 Q HA -0.169 4.210 4.340 0.066 0.000 0.201 337 Q C 2.273 178.357 176.000 0.140 0.000 0.972 337 Q CA 2.315 58.207 55.803 0.148 0.000 0.847 337 Q CB -0.669 28.131 28.738 0.104 0.000 0.903 337 Q HN 0.973 nan 8.270 nan 0.000 0.433 338 Q N 0.106 119.965 119.800 0.099 0.000 2.096 338 Q HA -0.225 4.154 4.340 0.066 0.000 0.204 338 Q C 1.947 177.991 176.000 0.073 0.000 0.982 338 Q CA 2.170 58.017 55.803 0.073 0.000 0.850 338 Q CB -0.394 28.370 28.738 0.043 0.000 0.901 338 Q HN 0.355 nan 8.270 nan 0.000 0.422 339 K N 0.188 120.632 120.400 0.074 0.000 2.057 339 K HA -0.127 4.233 4.320 0.066 0.000 0.207 339 K C 2.261 178.950 176.600 0.149 0.000 1.049 339 K CA 1.229 57.525 56.287 0.015 0.000 0.931 339 K CB -0.017 32.418 32.500 -0.108 0.000 0.714 339 K HN 0.223 nan 8.250 nan 0.000 0.440 340 R N 0.347 121.055 120.500 0.347 0.000 2.096 340 R HA -0.075 4.305 4.340 0.066 0.000 0.235 340 R C 2.081 178.517 176.300 0.227 0.000 1.127 340 R CA 1.496 57.842 56.100 0.409 0.000 0.968 340 R CB -0.353 30.177 30.300 0.384 0.000 0.861 340 R HN 0.299 nan 8.270 nan 0.000 0.440 341 N N 0.992 119.791 118.700 0.165 0.000 2.084 341 N HA -0.165 4.614 4.740 0.066 0.000 0.190 341 N C 1.575 177.138 175.510 0.089 0.000 1.030 341 N CA 1.382 54.504 53.050 0.120 0.000 0.849 341 N CB -0.237 38.310 38.487 0.101 0.000 1.012 341 N HN 0.370 nan 8.380 nan 0.000 0.423 342 E N 0.500 120.741 120.200 0.068 0.000 2.058 342 E HA -0.218 4.171 4.350 0.066 0.000 0.194 342 E C 1.760 178.387 176.600 0.045 0.000 0.997 342 E CA 1.055 57.478 56.400 0.039 0.000 0.801 342 E CB -0.069 29.635 29.700 0.007 0.000 0.746 342 E HN 0.341 nan 8.360 nan 0.000 0.450 343 E N 1.142 121.384 120.200 0.070 0.000 2.085 343 E HA -0.203 4.187 4.350 0.066 0.000 0.194 343 E C 1.862 178.511 176.600 0.083 0.000 0.994 343 E CA 1.480 57.936 56.400 0.094 0.000 0.801 343 E CB -0.224 29.596 29.700 0.200 0.000 0.743 343 E HN 0.246 nan 8.360 nan 0.000 0.453 344 A N 0.867 123.737 122.820 0.084 0.000 1.858 344 A HA -0.238 4.122 4.320 0.066 0.000 0.216 344 A C 2.109 179.710 177.584 0.028 0.000 1.190 344 A CA 2.033 54.098 52.037 0.045 0.000 0.617 344 A CB -0.540 18.493 19.000 0.056 0.000 0.827 344 A HN 0.242 nan 8.150 nan 0.000 0.443 345 K N -0.339 120.084 120.400 0.039 0.000 2.032 345 K HA -0.192 4.167 4.320 0.066 0.000 0.209 345 K C 2.252 178.872 176.600 0.034 0.000 1.048 345 K CA 1.635 57.942 56.287 0.032 0.000 0.927 345 K CB -0.207 32.314 32.500 0.036 0.000 0.712 345 K HN 0.519 nan 8.250 nan 0.000 0.441 346 K N 1.428 121.848 120.400 0.033 0.000 2.020 346 K HA -0.184 4.176 4.320 0.066 0.000 0.212 346 K C 2.114 178.734 176.600 0.033 0.000 1.050 346 K CA 1.432 57.737 56.287 0.030 0.000 0.929 346 K CB -0.163 32.353 32.500 0.028 0.000 0.714 346 K HN 0.063 nan 8.250 nan 0.000 0.443 347 L N 0.889 122.132 121.223 0.033 0.000 2.083 347 L HA -0.188 4.192 4.340 0.066 0.000 0.209 347 L C 2.482 179.378 176.870 0.043 0.000 1.083 347 L CA 0.920 55.777 54.840 0.030 0.000 0.752 347 L CB -0.266 41.804 42.059 0.017 0.000 0.899 347 L HN 0.273 nan 8.230 nan 0.000 0.433 348 L N -0.859 120.391 121.223 0.044 0.000 2.109 348 L HA -0.140 4.240 4.340 0.066 0.000 0.207 348 L C 2.848 179.814 176.870 0.160 0.000 1.086 348 L CA 0.997 55.899 54.840 0.104 0.000 0.760 348 L CB -0.624 41.448 42.059 0.021 0.000 0.910 348 L HN 0.253 nan 8.230 nan 0.000 0.437 349 A N 0.147 123.020 122.820 0.088 0.000 1.883 349 A HA -0.253 4.107 4.320 0.066 0.000 0.217 349 A C 2.080 179.687 177.584 0.040 0.000 1.186 349 A CA 1.795 53.872 52.037 0.066 0.000 0.624 349 A CB -0.480 18.544 19.000 0.040 0.000 0.822 349 A HN 0.437 nan 8.150 nan 0.000 0.444 350 E N -0.451 119.769 120.200 0.033 0.000 2.153 350 E HA -0.092 4.298 4.350 0.066 0.000 0.194 350 E C 2.050 178.650 176.600 0.001 0.000 0.988 350 E CA 0.862 57.269 56.400 0.012 0.000 0.811 350 E CB -0.249 29.459 29.700 0.014 0.000 0.746 350 E HN 0.629 nan 8.360 nan 0.000 0.466 351 A N -0.083 122.761 122.820 0.040 0.000 2.209 351 A HA 0.139 4.498 4.320 0.066 0.000 0.212 351 A C 1.749 179.235 177.584 -0.164 0.000 1.158 351 A CA 1.100 53.150 52.037 0.023 0.000 0.742 351 A CB -0.191 18.927 19.000 0.196 0.000 0.790 351 A HN 0.375 nan 8.150 nan 0.000 0.472 352 G N -2.702 105.985 108.800 -0.188 0.000 2.192 352 G HA2 -0.158 3.842 3.960 0.066 0.000 0.193 352 G HA3 -0.158 3.842 3.960 0.066 0.000 0.193 352 G C -0.089 174.532 174.900 -0.465 0.000 0.999 352 G CA -0.182 44.703 45.100 -0.358 0.000 0.659 352 G HN 0.289 nan 8.290 nan 0.000 0.503 353 F N 2.240 122.162 119.950 -0.046 0.000 2.394 353 F HA 0.666 5.233 4.527 0.066 0.000 0.340 353 F C 1.068 176.852 175.800 -0.026 0.000 1.105 353 F CA 0.421 58.397 58.000 -0.039 0.000 1.124 353 F CB 1.821 40.794 39.000 -0.045 0.000 1.145 353 F HN 0.219 nan 8.300 nan 0.000 0.505 354 T N -1.223 113.420 114.554 0.148 0.000 2.831 354 T HA 0.661 5.051 4.350 0.066 0.000 0.287 354 T C 0.786 175.533 174.700 0.079 0.000 1.070 354 T CA -0.353 61.795 62.100 0.081 0.000 1.010 354 T CB 1.418 70.305 68.868 0.031 0.000 1.264 354 T HN 0.540 nan 8.240 nan 0.000 0.532 355 A N 0.207 123.057 122.820 0.050 0.000 1.940 355 A HA -0.043 4.316 4.320 0.066 0.000 0.219 355 A C 1.872 179.479 177.584 0.039 0.000 1.176 355 A CA 2.339 54.400 52.037 0.041 0.000 0.631 355 A CB -1.305 17.712 19.000 0.028 0.000 0.814 355 A HN 0.987 nan 8.150 nan 0.000 0.446 356 D N -1.131 119.289 120.400 0.033 0.000 2.289 356 D HA -0.021 4.658 4.640 0.066 0.000 0.207 356 D C 0.441 176.762 176.300 0.036 0.000 0.966 356 D CA 0.738 54.754 54.000 0.027 0.000 0.868 356 D CB 0.097 40.906 40.800 0.015 0.000 0.943 356 D HN 0.194 nan 8.370 nan 0.000 0.514 357 K N 1.547 121.979 120.400 0.054 0.000 2.877 357 K HA 0.280 4.640 4.320 0.066 0.000 0.176 357 K C -2.616 174.093 176.600 0.182 0.000 1.075 357 K CA -1.515 54.818 56.287 0.076 0.000 0.939 357 K CB 1.650 34.163 32.500 0.022 0.000 1.237 357 K HN 0.239 nan 8.250 nan 0.000 0.607 358 P HA 0.143 nan 4.420 nan 0.000 0.277 358 P C -0.342 177.055 177.300 0.161 0.000 1.271 358 P CA -0.834 62.361 63.100 0.158 0.000 0.795 358 P CB 0.845 32.581 31.700 0.060 0.000 1.101 359 L N 0.602 121.766 121.223 -0.099 0.000 2.265 359 L HA 0.436 4.815 4.340 0.066 0.000 0.288 359 L C -0.599 176.239 176.870 -0.053 0.000 1.058 359 L CA 0.625 55.275 54.840 -0.317 0.000 0.809 359 L CB 0.107 41.679 42.059 -0.811 0.000 1.179 359 L HN 0.275 nan 8.230 nan 0.000 0.429 360 T N 6.726 121.312 114.554 0.053 0.000 2.879 360 T HA 0.729 5.119 4.350 0.066 0.000 0.290 360 T C -0.903 173.906 174.700 0.181 0.000 0.993 360 T CA -0.138 61.975 62.100 0.022 0.000 0.975 360 T CB 0.805 69.681 68.868 0.013 0.000 0.981 360 T HN 0.488 nan 8.240 nan 0.000 0.439 361 F N -0.363 119.624 119.950 0.063 0.000 2.745 361 F HA 0.714 5.281 4.527 0.066 0.000 0.316 361 F C -1.362 174.503 175.800 0.108 0.000 1.155 361 F CA -1.362 56.717 58.000 0.132 0.000 0.937 361 F CB 0.836 40.023 39.000 0.312 0.000 1.361 361 F HN 0.222 nan 8.300 nan 0.000 0.472 362 D N 1.629 122.231 120.400 0.337 0.000 2.225 362 D HA 0.415 5.095 4.640 0.066 0.000 0.249 362 D C -1.092 175.391 176.300 0.305 0.000 1.052 362 D CA -0.090 54.038 54.000 0.212 0.000 0.909 362 D CB 2.591 43.508 40.800 0.195 0.000 1.186 362 D HN 0.691 nan 8.370 nan 0.000 0.431 363 L N 2.699 124.059 121.223 0.228 0.000 2.353 363 L HA 0.282 4.661 4.340 0.066 0.000 0.270 363 L C -1.332 175.727 176.870 0.314 0.000 1.003 363 L CA -0.884 54.130 54.840 0.290 0.000 0.862 363 L CB 1.012 43.210 42.059 0.232 0.000 1.221 363 L HN 0.161 nan 8.230 nan 0.000 0.430 364 L N 6.185 127.595 121.223 0.313 0.000 2.292 364 L HA 0.536 4.916 4.340 0.066 0.000 0.284 364 L C -0.992 176.097 176.870 0.365 0.000 1.065 364 L CA 0.126 55.129 54.840 0.271 0.000 0.806 364 L CB 0.965 43.155 42.059 0.219 0.000 1.175 364 L HN 0.522 nan 8.230 nan 0.000 0.431 365 Y N 2.679 123.031 120.300 0.087 0.000 2.571 365 Y HA 0.554 5.143 4.550 0.066 0.000 0.341 365 Y C -0.872 174.731 175.900 -0.494 0.000 1.076 365 Y CA -1.614 56.392 58.100 -0.156 0.000 1.029 365 Y CB 0.694 39.145 38.460 -0.016 0.000 1.308 365 Y HN 0.724 nan 8.280 nan 0.000 0.461 366 N N 0.832 118.966 118.700 -0.942 0.000 2.514 366 N HA 0.087 4.867 4.740 0.066 0.000 0.277 366 N C -0.592 174.859 175.510 -0.099 0.000 1.126 366 N CA -0.239 52.398 53.050 -0.688 0.000 0.978 366 N CB 1.158 39.249 38.487 -0.661 0.000 1.106 366 N HN 0.800 nan 8.380 nan 0.000 0.461 367 T N 1.355 115.832 114.554 -0.127 0.000 2.656 367 T HA 0.053 4.442 4.350 0.066 0.000 0.258 367 T C 0.279 175.059 174.700 0.133 0.000 1.020 367 T CA 0.633 62.743 62.100 0.016 0.000 1.191 367 T CB -0.469 68.391 68.868 -0.014 0.000 1.004 367 T HN 0.724 nan 8.240 nan 0.000 0.498 368 S N 1.954 117.792 115.700 0.229 0.000 2.606 368 S HA 0.170 4.679 4.470 0.066 0.000 0.290 368 S C 0.311 174.953 174.600 0.071 0.000 1.103 368 S CA -0.848 57.420 58.200 0.114 0.000 0.870 368 S CB 1.365 64.617 63.200 0.086 0.000 1.077 368 S HN 0.598 nan 8.310 nan 0.000 0.448 369 D N 1.598 121.994 120.400 -0.007 0.000 2.097 369 D HA -0.076 4.603 4.640 0.066 0.000 0.197 369 D C 1.886 178.142 176.300 -0.075 0.000 0.984 369 D CA 1.419 55.405 54.000 -0.023 0.000 0.826 369 D CB 0.061 40.843 40.800 -0.029 0.000 0.973 369 D HN 0.448 nan 8.370 nan 0.000 0.460 370 L N 1.378 122.514 121.223 -0.145 0.000 1.994 370 L HA -0.182 4.197 4.340 0.066 0.000 0.208 370 L C 2.237 179.014 176.870 -0.154 0.000 1.071 370 L CA 1.888 56.613 54.840 -0.191 0.000 0.745 370 L CB -0.858 41.037 42.059 -0.274 0.000 0.892 370 L HN 0.088 nan 8.230 nan 0.000 0.431 371 H N -0.121 118.969 119.070 0.033 0.000 2.423 371 H HA -0.135 4.461 4.556 0.065 0.000 0.297 371 H C 2.172 177.285 175.328 -0.358 0.000 1.075 371 H CA 1.510 57.546 56.048 -0.020 0.000 1.342 371 H CB -0.271 29.541 29.762 0.083 0.000 1.395 371 H HN 0.463 nan 8.280 nan 0.000 0.530 372 K N 1.636 121.830 120.400 -0.344 0.000 2.026 372 K HA -0.137 4.223 4.320 0.066 0.000 0.208 372 K C 1.968 178.417 176.600 -0.253 0.000 1.048 372 K CA 1.212 57.181 56.287 -0.530 0.000 0.929 372 K CB 0.111 32.535 32.500 -0.126 0.000 0.713 372 K HN 0.156 nan 8.250 nan 0.000 0.439 373 K N 0.574 120.894 120.400 -0.134 0.000 2.057 373 K HA -0.105 4.255 4.320 0.066 0.000 0.207 373 K C 2.204 178.752 176.600 -0.087 0.000 1.049 373 K CA 1.340 57.572 56.287 -0.092 0.000 0.931 373 K CB -0.109 32.347 32.500 -0.073 0.000 0.714 373 K HN 0.185 nan 8.250 nan 0.000 0.440 374 L N 0.264 121.448 121.223 -0.065 0.000 2.056 374 L HA -0.145 4.235 4.340 0.066 0.000 0.207 374 L C 2.575 179.434 176.870 -0.019 0.000 1.078 374 L CA 0.991 55.817 54.840 -0.022 0.000 0.749 374 L CB -0.555 41.530 42.059 0.044 0.000 0.901 374 L HN 0.197 nan 8.230 nan 0.000 0.433 375 A N 0.309 123.091 122.820 -0.064 0.000 1.930 375 A HA -0.153 4.207 4.320 0.066 0.000 0.217 375 A C 2.203 179.712 177.584 -0.126 0.000 1.175 375 A CA 1.313 53.289 52.037 -0.102 0.000 0.627 375 A CB -0.576 18.309 19.000 -0.193 0.000 0.815 375 A HN 0.338 nan 8.150 nan 0.000 0.443 376 I N -0.267 120.232 120.570 -0.118 0.000 2.226 376 I HA -0.285 3.925 4.170 0.066 0.000 0.245 376 I C 2.972 179.038 176.117 -0.084 0.000 1.100 376 I CA 1.049 62.300 61.300 -0.080 0.000 1.374 376 I CB -0.324 37.638 38.000 -0.063 0.000 1.057 376 I HN 0.363 nan 8.210 nan 0.000 0.413 377 A N 0.360 123.125 122.820 -0.092 0.000 1.877 377 A HA -0.150 4.209 4.320 0.066 0.000 0.216 377 A C 2.436 179.931 177.584 -0.148 0.000 1.186 377 A CA 1.714 53.694 52.037 -0.096 0.000 0.620 377 A CB -0.968 17.980 19.000 -0.086 0.000 0.822 377 A HN 0.231 nan 8.150 nan 0.000 0.443 378 V N -0.123 119.658 119.914 -0.222 0.000 2.343 378 V HA -0.253 3.907 4.120 0.066 0.000 0.247 378 V C 3.065 178.924 176.094 -0.391 0.000 1.051 378 V CA 1.938 63.966 62.300 -0.452 0.000 1.036 378 V CB -1.206 30.227 31.823 -0.649 0.000 0.654 378 V HN 0.625 nan 8.190 nan 0.000 0.451 379 A N -0.673 122.031 122.820 -0.194 0.000 1.908 379 A HA -0.257 4.103 4.320 0.066 0.000 0.218 379 A C 2.574 180.158 177.584 0.000 0.000 1.181 379 A CA 2.369 54.383 52.037 -0.038 0.000 0.627 379 A CB -0.817 18.162 19.000 -0.036 0.000 0.818 379 A HN 0.504 nan 8.150 nan 0.000 0.445 380 S N -0.518 115.160 115.700 -0.037 0.000 2.368 380 S HA -0.106 4.403 4.470 0.066 0.000 0.224 380 S C 1.929 176.535 174.600 0.008 0.000 1.029 380 S CA 1.352 59.545 58.200 -0.011 0.000 0.988 380 S CB -0.523 62.662 63.200 -0.025 0.000 0.838 380 S HN 0.478 nan 8.310 nan 0.000 0.462 381 I N -0.054 120.495 120.570 -0.035 0.000 2.179 381 I HA -0.172 4.037 4.170 0.066 0.000 0.242 381 I C 2.227 178.409 176.117 0.108 0.000 1.088 381 I CA 1.192 62.483 61.300 -0.016 0.000 1.357 381 I CB -0.397 37.533 38.000 -0.116 0.000 1.051 381 I HN 0.422 nan 8.210 nan 0.000 0.409 382 W N 1.515 122.810 121.300 -0.009 0.000 2.363 382 W HA -0.179 4.521 4.660 0.067 0.000 0.296 382 W C 2.666 179.178 176.519 -0.011 0.000 1.212 382 W CA 1.071 58.414 57.345 -0.002 0.000 1.260 382 W CB -0.759 28.699 29.460 -0.004 0.000 1.131 382 W HN 0.094 nan 8.180 nan 0.000 0.530 383 K N 1.192 121.712 120.400 0.199 0.000 2.002 383 K HA -0.203 4.156 4.320 0.066 0.000 0.209 383 K C 2.043 178.691 176.600 0.081 0.000 1.048 383 K CA 2.081 58.426 56.287 0.097 0.000 0.930 383 K CB -0.644 31.888 32.500 0.053 0.000 0.714 383 K HN -0.023 nan 8.250 nan 0.000 0.438 384 K N -0.450 119.997 120.400 0.079 0.000 2.062 384 K HA -0.077 4.282 4.320 0.066 0.000 0.205 384 K C 1.356 178.000 176.600 0.074 0.000 1.051 384 K CA 1.524 57.848 56.287 0.061 0.000 0.941 384 K CB -0.063 32.465 32.500 0.046 0.000 0.719 384 K HN 0.121 nan 8.250 nan 0.000 0.440 385 N N 0.306 119.071 118.700 0.108 0.000 2.333 385 N HA -0.058 4.722 4.740 0.066 0.000 0.178 385 N C 1.141 176.715 175.510 0.108 0.000 1.018 385 N CA 0.665 53.784 53.050 0.115 0.000 0.882 385 N CB 0.239 38.818 38.487 0.153 0.000 0.984 385 N HN 0.151 nan 8.380 nan 0.000 0.434 386 L N -1.198 120.094 121.223 0.114 0.000 3.039 386 L HA 0.421 4.801 4.340 0.066 0.000 0.269 386 L C 0.679 177.566 176.870 0.028 0.000 1.169 386 L CA 0.382 55.258 54.840 0.060 0.000 0.986 386 L CB -0.007 42.072 42.059 0.033 0.000 1.377 386 L HN 0.198 nan 8.230 nan 0.000 0.575 387 G N 0.808 109.634 108.800 0.043 0.000 2.198 387 G HA2 -0.209 3.790 3.960 0.066 0.000 0.260 387 G HA3 -0.209 3.790 3.960 0.066 0.000 0.260 387 G C 0.183 175.081 174.900 -0.003 0.000 1.025 387 G CA 0.522 45.636 45.100 0.023 0.000 0.769 387 G HN 0.770 nan 8.290 nan 0.000 0.507 388 V N -2.968 116.940 119.914 -0.009 0.000 2.612 388 V HA 0.816 4.976 4.120 0.066 0.000 0.301 388 V C -0.039 176.012 176.094 -0.071 0.000 1.046 388 V CA -1.796 60.469 62.300 -0.059 0.000 0.946 388 V CB 1.961 33.735 31.823 -0.082 0.000 1.003 388 V HN 0.179 nan 8.190 nan 0.000 0.459 389 N N 2.329 120.949 118.700 -0.134 0.000 2.400 389 N HA 0.653 5.433 4.740 0.066 0.000 0.288 389 N C -0.595 174.711 175.510 -0.341 0.000 1.024 389 N CA -0.260 52.699 53.050 -0.152 0.000 0.894 389 N CB 2.052 40.484 38.487 -0.090 0.000 1.173 389 N HN 0.993 nan 8.380 nan 0.000 0.487 390 V N -0.142 119.598 119.914 -0.290 0.000 2.735 390 V HA 0.596 4.756 4.120 0.066 0.000 0.310 390 V C -0.415 175.582 176.094 -0.162 0.000 1.061 390 V CA -1.034 61.020 62.300 -0.410 0.000 0.913 390 V CB 1.781 33.357 31.823 -0.412 0.000 1.005 390 V HN 0.494 nan 8.190 nan 0.000 0.428 391 N N 3.549 122.181 118.700 -0.113 0.000 2.444 391 N HA 0.609 5.389 4.740 0.066 0.000 0.262 391 N C -1.038 174.503 175.510 0.051 0.000 0.974 391 N CA -0.552 52.491 53.050 -0.011 0.000 0.933 391 N CB 1.555 40.048 38.487 0.009 0.000 1.137 391 N HN 0.628 nan 8.380 nan 0.000 0.498 392 L N 2.337 123.610 121.223 0.084 0.000 2.380 392 L HA 0.234 4.614 4.340 0.066 0.000 0.273 392 L C 0.087 177.063 176.870 0.177 0.000 1.138 392 L CA 0.485 55.434 54.840 0.183 0.000 0.832 392 L CB 0.414 42.603 42.059 0.217 0.000 1.124 392 L HN 0.536 nan 8.230 nan 0.000 0.454 393 E N 2.923 123.232 120.200 0.182 0.000 2.263 393 E HA 0.313 4.702 4.350 0.066 0.000 0.268 393 E C -1.120 175.321 176.600 -0.264 0.000 0.884 393 E CA -0.806 55.608 56.400 0.023 0.000 0.766 393 E CB 1.601 31.325 29.700 0.040 0.000 1.196 393 E HN 0.565 nan 8.360 nan 0.000 0.416 394 N N 2.778 121.218 118.700 -0.434 0.000 2.456 394 N HA 0.276 5.055 4.740 0.066 0.000 0.296 394 N C -0.680 174.630 175.510 -0.333 0.000 1.102 394 N CA -0.561 52.020 53.050 -0.782 0.000 0.924 394 N CB 1.969 40.018 38.487 -0.730 0.000 1.186 394 N HN 0.441 nan 8.380 nan 0.000 0.492 395 Q N 0.134 119.765 119.800 -0.281 0.000 2.379 395 Q HA 0.244 4.623 4.340 0.066 0.000 0.278 395 Q C -1.013 174.953 176.000 -0.057 0.000 1.068 395 Q CA -0.853 54.897 55.803 -0.088 0.000 0.816 395 Q CB 2.274 31.032 28.738 0.034 0.000 1.387 395 Q HN 0.540 nan 8.270 nan 0.000 0.413 396 E N 1.057 121.267 120.200 0.015 0.000 2.418 396 E HA -0.113 4.277 4.350 0.066 0.000 0.261 396 E C 0.470 177.180 176.600 0.184 0.000 1.070 396 E CA 0.137 56.584 56.400 0.077 0.000 0.931 396 E CB 0.460 30.207 29.700 0.078 0.000 0.954 396 E HN 0.716 nan 8.360 nan 0.000 0.439 397 W N 3.436 124.741 121.300 0.008 0.000 2.290 397 W HA -0.357 4.344 4.660 0.067 0.000 0.328 397 W C 1.831 178.444 176.519 0.157 0.000 1.272 397 W CA 2.160 59.558 57.345 0.089 0.000 1.262 397 W CB -0.034 29.448 29.460 0.038 0.000 1.151 397 W HN 0.567 nan 8.180 nan 0.000 0.473 398 K N -0.487 120.004 120.400 0.151 0.000 2.063 398 K HA -0.181 4.179 4.320 0.066 0.000 0.208 398 K C 1.936 178.519 176.600 -0.028 0.000 1.048 398 K CA 2.231 58.512 56.287 -0.011 0.000 0.928 398 K CB -0.410 32.141 32.500 0.086 0.000 0.713 398 K HN 0.035 nan 8.250 nan 0.000 0.442 399 T N 0.844 115.422 114.554 0.040 0.000 2.777 399 T HA -0.128 4.262 4.350 0.066 0.000 0.266 399 T C 1.346 176.059 174.700 0.021 0.000 1.040 399 T CA 1.205 63.322 62.100 0.028 0.000 1.141 399 T CB -0.379 68.517 68.868 0.047 0.000 0.868 399 T HN 0.298 nan 8.240 nan 0.000 0.444 400 F N 2.184 122.053 119.950 -0.135 0.000 2.091 400 F HA -0.103 4.463 4.527 0.065 0.000 0.299 400 F C 1.849 177.479 175.800 -0.282 0.000 1.103 400 F CA 1.213 59.095 58.000 -0.195 0.000 1.228 400 F CB -0.655 38.244 39.000 -0.168 0.000 0.984 400 F HN 0.063 nan 8.300 nan 0.000 0.477 401 L N -0.216 120.736 121.223 -0.452 0.000 2.093 401 L HA -0.194 4.186 4.340 0.066 0.000 0.208 401 L C 2.294 179.012 176.870 -0.255 0.000 1.085 401 L CA 1.610 56.124 54.840 -0.543 0.000 0.755 401 L CB -0.947 40.822 42.059 -0.483 0.000 0.904 401 L HN 0.143 nan 8.230 nan 0.000 0.435 402 D N -0.165 120.154 120.400 -0.135 0.000 2.117 402 D HA -0.159 4.520 4.640 0.066 0.000 0.197 402 D C 2.058 178.330 176.300 -0.046 0.000 0.987 402 D CA 1.569 55.551 54.000 -0.031 0.000 0.829 402 D CB 0.095 40.881 40.800 -0.024 0.000 0.961 402 D HN 0.140 nan 8.370 nan 0.000 0.460 403 T N 0.171 114.655 114.554 -0.117 0.000 2.684 403 T HA -0.147 4.243 4.350 0.066 0.000 0.267 403 T C 2.081 176.697 174.700 -0.140 0.000 1.036 403 T CA 1.289 63.331 62.100 -0.097 0.000 1.148 403 T CB -0.119 68.683 68.868 -0.110 0.000 0.863 403 T HN 0.208 nan 8.240 nan 0.000 0.436 404 R N -0.009 120.224 120.500 -0.444 0.000 2.081 404 R HA -0.047 4.332 4.340 0.066 0.000 0.235 404 R C 2.505 178.727 176.300 -0.129 0.000 1.131 404 R CA 1.149 56.907 56.100 -0.570 0.000 0.960 404 R CB -0.335 29.391 30.300 -0.957 0.000 0.856 404 R HN 0.505 nan 8.270 nan 0.000 0.436 405 H N 0.798 119.826 119.070 -0.069 0.000 2.387 405 H HA -0.081 4.514 4.556 0.066 0.000 0.299 405 H C 1.928 177.346 175.328 0.150 0.000 1.090 405 H CA 1.332 57.400 56.048 0.034 0.000 1.332 405 H CB 0.143 29.879 29.762 -0.044 0.000 1.386 405 H HN 0.370 nan 8.280 nan 0.000 0.516 406 Q N -0.380 119.534 119.800 0.190 0.000 2.297 406 Q HA 0.000 4.380 4.340 0.066 0.000 0.204 406 Q C 1.195 177.239 176.000 0.074 0.000 0.962 406 Q CA 0.644 56.521 55.803 0.123 0.000 0.879 406 Q CB 0.377 29.158 28.738 0.072 0.000 0.947 406 Q HN 0.615 nan 8.270 nan 0.000 0.462 407 G N 1.659 110.543 108.800 0.141 0.000 2.160 407 G HA2 -0.266 3.734 3.960 0.066 0.000 0.244 407 G HA3 -0.266 3.734 3.960 0.066 0.000 0.244 407 G C 0.352 175.250 174.900 -0.002 0.000 1.022 407 G CA 0.555 45.604 45.100 -0.086 0.000 0.741 407 G HN 0.404 nan 8.290 nan 0.000 0.508 408 T N -1.306 113.353 114.554 0.176 0.000 3.389 408 T HA 0.632 5.021 4.350 0.066 0.000 0.238 408 T C -0.014 174.817 174.700 0.217 0.000 1.178 408 T CA 0.015 62.181 62.100 0.110 0.000 1.117 408 T CB -0.613 68.298 68.868 0.071 0.000 1.177 408 T HN 1.616 nan 8.240 nan 0.000 0.653 409 F N -1.644 118.270 119.950 -0.059 0.000 2.741 409 F HA 0.728 5.295 4.527 0.067 0.000 0.313 409 F C -0.848 174.902 175.800 -0.083 0.000 1.153 409 F CA -1.316 56.655 58.000 -0.048 0.000 0.931 409 F CB 0.695 39.657 39.000 -0.063 0.000 1.335 409 F HN -0.126 nan 8.300 nan 0.000 0.460 410 D N 0.522 120.880 120.400 -0.070 0.000 3.032 410 D HA 0.279 4.959 4.640 0.066 0.000 0.280 410 D C -0.389 175.574 176.300 -0.560 0.000 1.381 410 D CA 1.095 54.840 54.000 -0.426 0.000 1.068 410 D CB 0.646 41.387 40.800 -0.100 0.000 1.148 410 D HN 0.240 nan 8.370 nan 0.000 0.401 411 V N 0.595 120.476 119.914 -0.056 0.000 2.656 411 V HA 0.742 4.902 4.120 0.066 0.000 0.307 411 V C -0.686 175.625 176.094 0.361 0.000 1.051 411 V CA -0.864 61.501 62.300 0.108 0.000 0.893 411 V CB 1.799 33.669 31.823 0.079 0.000 0.999 411 V HN 0.313 nan 8.190 nan 0.000 0.426 412 A N 3.952 126.959 122.820 0.311 0.000 2.386 412 A HA 0.797 5.157 4.320 0.066 0.000 0.311 412 A C -0.357 177.339 177.584 0.186 0.000 1.068 412 A CA -0.810 51.323 52.037 0.159 0.000 0.743 412 A CB 1.576 20.379 19.000 -0.329 0.000 1.258 412 A HN 0.663 nan 8.150 nan 0.000 0.429 413 R N 1.066 121.711 120.500 0.243 0.000 2.484 413 R HA 0.455 4.835 4.340 0.066 0.000 0.293 413 R C -0.300 175.819 176.300 -0.302 0.000 1.023 413 R CA 0.901 56.959 56.100 -0.069 0.000 1.037 413 R CB 0.143 30.413 30.300 -0.049 0.000 0.951 413 R HN 1.032 nan 8.270 nan 0.000 0.418 414 A N 2.297 124.661 122.820 -0.760 0.000 2.515 414 A HA 0.782 5.141 4.320 0.066 0.000 0.296 414 A C -0.828 176.242 177.584 -0.857 0.000 1.094 414 A CA -0.187 51.357 52.037 -0.822 0.000 0.718 414 A CB 2.201 20.411 19.000 -1.316 0.000 1.307 414 A HN 0.719 nan 8.150 nan 0.000 0.408 415 G N -0.018 108.589 108.800 -0.323 0.000 2.753 415 G HA2 0.534 4.533 3.960 0.066 0.000 0.295 415 G HA3 0.534 4.533 3.960 0.066 0.000 0.295 415 G C -1.436 173.647 174.900 0.305 0.000 1.437 415 G CA -0.218 44.924 45.100 0.071 0.000 1.094 415 G HN 0.850 nan 8.290 nan 0.000 0.540 416 W N 2.738 124.174 121.300 0.227 0.000 2.656 416 W HA 0.564 5.266 4.660 0.069 0.000 0.327 416 W C -1.248 175.114 176.519 -0.261 0.000 1.041 416 W CA -0.848 56.464 57.345 -0.055 0.000 1.229 416 W CB 2.075 31.445 29.460 -0.150 0.000 1.397 416 W HN 0.537 nan 8.180 nan 0.000 0.479 417 c N 4.063 122.153 118.600 -0.849 0.000 2.411 417 c HA 0.675 5.285 4.570 0.066 0.000 0.330 417 c C 0.877 174.447 174.090 -0.867 0.000 1.224 417 c CA -0.523 55.387 56.329 -0.697 0.000 1.770 417 c CB 0.612 42.771 42.510 -0.586 0.000 2.297 417 c HN 0.698 nan 8.230 nan 0.000 0.507 418 A N 2.094 124.676 122.820 -0.397 0.000 2.520 418 A HA 0.183 4.543 4.320 0.066 0.000 0.235 418 A C 0.836 178.276 177.584 -0.240 0.000 1.065 418 A CA 0.390 52.261 52.037 -0.276 0.000 0.764 418 A CB 0.196 19.174 19.000 -0.036 0.000 1.002 418 A HN 0.932 nan 8.150 nan 0.000 0.502 419 D N -0.850 119.456 120.400 -0.157 0.000 2.355 419 D HA 0.162 4.842 4.640 0.066 0.000 0.206 419 D C -0.378 176.064 176.300 0.238 0.000 1.010 419 D CA 1.362 55.414 54.000 0.086 0.000 0.875 419 D CB 0.202 41.127 40.800 0.208 0.000 0.966 419 D HN 0.670 nan 8.370 nan 0.000 0.512 420 Y N -1.501 118.845 120.300 0.076 0.000 2.544 420 Y HA 0.463 5.051 4.550 0.063 0.000 0.342 420 Y C -0.608 175.290 175.900 -0.003 0.000 1.062 420 Y CA -1.543 56.579 58.100 0.036 0.000 1.023 420 Y CB 0.432 38.903 38.460 0.018 0.000 1.308 420 Y HN -0.404 nan 8.280 nan 0.000 0.457 421 N N 3.125 121.872 118.700 0.078 0.000 2.739 421 N HA 0.166 4.946 4.740 0.066 0.000 0.266 421 N C -1.085 174.387 175.510 -0.063 0.000 1.168 421 N CA 0.469 53.507 53.050 -0.020 0.000 1.055 421 N CB -0.240 38.268 38.487 0.034 0.000 1.393 421 N HN 0.780 nan 8.380 nan 0.000 0.514 422 E N 2.243 122.321 120.200 -0.204 0.000 2.378 422 E HA 0.232 4.622 4.350 0.066 0.000 0.283 422 E C -2.375 173.968 176.600 -0.429 0.000 0.979 422 E CA -1.491 54.742 56.400 -0.279 0.000 0.795 422 E CB 1.863 31.391 29.700 -0.286 0.000 1.221 422 E HN 0.064 nan 8.360 nan 0.000 0.428 423 P HA -0.137 nan 4.420 nan 0.000 0.218 423 P C 1.192 178.130 177.300 -0.602 0.000 1.148 423 P CA 2.091 64.807 63.100 -0.640 0.000 0.822 423 P CB 0.132 31.244 31.700 -0.980 0.000 0.784 424 T N -4.589 109.583 114.554 -0.637 0.000 3.007 424 T HA -0.102 4.288 4.350 0.066 0.000 0.270 424 T C 1.978 176.482 174.700 -0.327 0.000 1.107 424 T CA 1.286 63.179 62.100 -0.346 0.000 1.118 424 T CB -1.155 67.670 68.868 -0.073 0.000 0.889 424 T HN -0.025 nan 8.240 nan 0.000 0.506 425 S N -0.131 115.224 115.700 -0.574 0.000 2.400 425 S HA -0.003 4.506 4.470 0.066 0.000 0.232 425 S C 1.312 175.773 174.600 -0.231 0.000 1.025 425 S CA 0.801 58.607 58.200 -0.656 0.000 0.993 425 S CB -0.546 62.039 63.200 -1.024 0.000 0.808 425 S HN 0.575 nan 8.310 nan 0.000 0.478 426 F N 0.929 120.662 119.950 -0.362 0.000 2.164 426 F HA 0.303 4.868 4.527 0.063 0.000 0.287 426 F C 1.976 177.578 175.800 -0.330 0.000 1.086 426 F CA 0.574 58.296 58.000 -0.464 0.000 1.249 426 F CB -0.550 38.050 39.000 -0.666 0.000 1.059 426 F HN 0.095 nan 8.300 nan 0.000 0.490 427 L N 0.091 121.299 121.223 -0.023 0.000 2.127 427 L HA -0.256 4.124 4.340 0.066 0.000 0.211 427 L C 1.910 178.848 176.870 0.113 0.000 1.089 427 L CA 1.010 55.937 54.840 0.145 0.000 0.757 427 L CB -0.694 41.397 42.059 0.052 0.000 0.899 427 L HN 0.154 nan 8.230 nan 0.000 0.434 428 N N -0.490 118.108 118.700 -0.170 0.000 2.364 428 N HA -0.140 4.639 4.740 0.066 0.000 0.183 428 N C 1.875 177.235 175.510 -0.249 0.000 1.022 428 N CA 1.712 54.578 53.050 -0.306 0.000 0.883 428 N CB -0.400 37.495 38.487 -0.987 0.000 0.965 428 N HN 0.462 nan 8.380 nan 0.000 0.438 429 T N -2.454 111.916 114.554 -0.307 0.000 3.072 429 T HA 0.051 4.441 4.350 0.066 0.000 0.266 429 T C 1.378 175.958 174.700 -0.199 0.000 1.127 429 T CA 0.560 62.474 62.100 -0.308 0.000 1.107 429 T CB 0.002 68.426 68.868 -0.740 0.000 0.910 429 T HN -0.025 nan 8.240 nan 0.000 0.513 430 M N 0.756 120.301 119.600 -0.092 0.000 2.383 430 M HA 0.421 4.941 4.480 0.066 0.000 0.247 430 M C 0.259 176.587 176.300 0.047 0.000 1.117 430 M CA -0.189 55.011 55.300 -0.167 0.000 0.995 430 M CB -0.530 31.732 32.600 -0.563 0.000 1.480 430 M HN 0.291 nan 8.290 nan 0.000 0.485 431 L N 0.201 121.547 121.223 0.205 0.000 2.485 431 L HA 0.027 4.407 4.340 0.066 0.000 0.275 431 L C 1.777 178.705 176.870 0.097 0.000 1.207 431 L CA -0.290 54.693 54.840 0.238 0.000 0.855 431 L CB 0.380 42.564 42.059 0.209 0.000 1.114 431 L HN 0.195 nan 8.230 nan 0.000 0.485 432 S N 1.152 116.891 115.700 0.065 0.000 2.372 432 S HA -0.208 4.302 4.470 0.066 0.000 0.227 432 S C 1.127 175.730 174.600 0.005 0.000 1.044 432 S CA 1.989 60.185 58.200 -0.006 0.000 1.050 432 S CB -0.266 62.927 63.200 -0.012 0.000 0.901 432 S HN 0.921 nan 8.310 nan 0.000 0.447 433 D N 0.430 120.850 120.400 0.033 0.000 2.358 433 D HA 0.161 4.840 4.640 0.066 0.000 0.224 433 D C 0.209 176.528 176.300 0.031 0.000 1.123 433 D CA -0.065 53.951 54.000 0.026 0.000 0.833 433 D CB -0.288 40.531 40.800 0.031 0.000 0.946 433 D HN 0.150 nan 8.370 nan 0.000 0.505 434 S N 0.279 116.005 115.700 0.043 0.000 2.549 434 S HA 0.135 4.644 4.470 0.066 0.000 0.279 434 S C 1.577 176.176 174.600 -0.002 0.000 1.321 434 S CA 0.051 58.287 58.200 0.061 0.000 1.054 434 S CB 0.873 64.127 63.200 0.090 0.000 0.899 434 S HN 0.290 nan 8.310 nan 0.000 0.497 435 S N 4.005 119.693 115.700 -0.021 0.000 2.442 435 S HA -0.113 4.397 4.470 0.066 0.000 0.236 435 S C 0.976 175.567 174.600 -0.014 0.000 1.007 435 S CA 1.297 59.474 58.200 -0.040 0.000 0.965 435 S CB -0.643 62.508 63.200 -0.082 0.000 0.773 435 S HN 0.858 nan 8.310 nan 0.000 0.504 436 N N 1.609 120.273 118.700 -0.060 0.000 2.336 436 N HA 0.138 4.918 4.740 0.066 0.000 0.189 436 N C 0.049 175.431 175.510 -0.214 0.000 1.113 436 N CA -0.030 52.947 53.050 -0.122 0.000 0.858 436 N CB -0.068 38.266 38.487 -0.256 0.000 0.970 436 N HN 0.254 nan 8.380 nan 0.000 0.471 437 N N 1.226 119.812 118.700 -0.189 0.000 2.605 437 N HA 0.004 4.784 4.740 0.066 0.000 0.258 437 N C 0.402 175.654 175.510 -0.430 0.000 1.156 437 N CA 0.195 53.085 53.050 -0.267 0.000 1.008 437 N CB 0.256 38.632 38.487 -0.184 0.000 1.354 437 N HN 0.203 nan 8.380 nan 0.000 0.509 438 T N -1.153 113.147 114.554 -0.423 0.000 3.100 438 T HA 0.127 4.516 4.350 0.066 0.000 0.253 438 T C 1.550 176.147 174.700 -0.173 0.000 1.118 438 T CA 0.362 62.186 62.100 -0.460 0.000 1.058 438 T CB 0.189 68.766 68.868 -0.484 0.000 0.953 438 T HN 0.295 nan 8.240 nan 0.000 0.515 439 A N 0.994 123.719 122.820 -0.158 0.000 2.119 439 A HA 0.150 4.509 4.320 0.066 0.000 0.216 439 A C 0.800 178.436 177.584 0.087 0.000 1.152 439 A CA 0.465 52.505 52.037 0.006 0.000 0.708 439 A CB -0.883 18.050 19.000 -0.111 0.000 0.805 439 A HN 0.695 nan 8.150 nan 0.000 0.460 440 H N -3.473 115.592 119.070 -0.008 0.000 2.713 440 H HA -0.234 4.362 4.556 0.067 0.000 0.311 440 H C -0.318 175.015 175.328 0.007 0.000 1.175 440 H CA 1.052 57.092 56.048 -0.014 0.000 1.143 440 H CB -2.290 27.448 29.762 -0.040 0.000 1.434 440 H HN 0.685 nan 8.280 nan 0.000 0.418 441 Y N 1.333 121.574 120.300 -0.099 0.000 2.327 441 Y HA 0.419 5.009 4.550 0.066 0.000 0.336 441 Y C -0.214 175.616 175.900 -0.117 0.000 1.035 441 Y CA -0.778 57.243 58.100 -0.132 0.000 1.165 441 Y CB 0.822 39.142 38.460 -0.234 0.000 1.181 441 Y HN 0.090 nan 8.280 nan 0.000 0.494 442 K N 5.172 125.238 120.400 -0.558 0.000 2.656 442 K HA 0.302 4.662 4.320 0.066 0.000 0.241 442 K C -1.333 174.932 176.600 -0.558 0.000 0.967 442 K CA -0.542 55.483 56.287 -0.437 0.000 0.946 442 K CB 1.534 33.921 32.500 -0.189 0.000 1.164 442 K HN 0.561 nan 8.250 nan 0.000 0.459 443 S N 3.375 118.725 115.700 -0.584 0.000 2.659 443 S HA 0.387 4.896 4.470 0.066 0.000 0.312 443 S C -2.199 172.365 174.600 -0.059 0.000 1.114 443 S CA -1.739 56.261 58.200 -0.333 0.000 1.063 443 S CB 1.156 64.138 63.200 -0.364 0.000 0.996 443 S HN 0.213 nan 8.310 nan 0.000 0.478 444 P HA 0.020 nan 4.420 nan 0.000 0.218 444 P C 1.385 178.714 177.300 0.049 0.000 1.149 444 P CA 1.171 64.278 63.100 0.013 0.000 0.817 444 P CB 0.115 31.813 31.700 -0.002 0.000 0.785 445 A N -0.975 121.882 122.820 0.063 0.000 1.873 445 A HA -0.190 4.169 4.320 0.066 0.000 0.215 445 A C 2.121 179.781 177.584 0.126 0.000 1.186 445 A CA 1.321 53.408 52.037 0.083 0.000 0.616 445 A CB -1.813 17.240 19.000 0.089 0.000 0.823 445 A HN 0.158 nan 8.150 nan 0.000 0.442 446 F N 1.322 121.300 119.950 0.046 0.000 2.102 446 F HA -0.205 4.361 4.527 0.065 0.000 0.298 446 F C 1.827 177.668 175.800 0.069 0.000 1.105 446 F CA 2.172 60.227 58.000 0.090 0.000 1.239 446 F CB -0.204 38.906 39.000 0.183 0.000 0.991 446 F HN 0.239 nan 8.300 nan 0.000 0.474 447 D N 0.493 121.021 120.400 0.213 0.000 2.116 447 D HA -0.233 4.447 4.640 0.066 0.000 0.193 447 D C 2.108 178.405 176.300 -0.004 0.000 0.998 447 D CA 1.616 55.677 54.000 0.102 0.000 0.836 447 D CB -0.473 40.394 40.800 0.113 0.000 0.951 447 D HN 0.179 nan 8.370 nan 0.000 0.449 448 K N 0.876 121.278 120.400 0.003 0.000 2.026 448 K HA -0.069 4.290 4.320 0.066 0.000 0.208 448 K C 2.165 178.735 176.600 -0.049 0.000 1.048 448 K CA 0.865 57.145 56.287 -0.012 0.000 0.929 448 K CB -0.663 31.838 32.500 0.003 0.000 0.713 448 K HN 0.140 nan 8.250 nan 0.000 0.439 449 L N 0.315 121.483 121.223 -0.091 0.000 2.012 449 L HA -0.203 4.176 4.340 0.066 0.000 0.210 449 L C 2.249 179.038 176.870 -0.136 0.000 1.073 449 L CA 0.961 55.729 54.840 -0.121 0.000 0.748 449 L CB -0.502 41.465 42.059 -0.153 0.000 0.891 449 L HN 0.194 nan 8.230 nan 0.000 0.431 450 I N 0.007 120.454 120.570 -0.204 0.000 2.315 450 I HA -0.211 3.998 4.170 0.066 0.000 0.248 450 I C 2.837 178.957 176.117 0.005 0.000 1.117 450 I CA 1.490 62.733 61.300 -0.095 0.000 1.404 450 I CB -1.634 36.276 38.000 -0.151 0.000 1.071 450 I HN 0.179 nan 8.210 nan 0.000 0.419 451 A N 0.722 123.544 122.820 0.003 0.000 1.940 451 A HA -0.223 4.136 4.320 0.066 0.000 0.219 451 A C 1.925 179.507 177.584 -0.005 0.000 1.176 451 A CA 1.940 53.994 52.037 0.028 0.000 0.631 451 A CB -0.630 18.387 19.000 0.027 0.000 0.814 451 A HN 0.343 nan 8.150 nan 0.000 0.446 452 D N -0.426 119.960 120.400 -0.024 0.000 2.264 452 D HA -0.102 4.578 4.640 0.066 0.000 0.208 452 D C 2.222 178.492 176.300 -0.050 0.000 0.966 452 D CA 1.721 55.698 54.000 -0.038 0.000 0.864 452 D CB -0.506 40.266 40.800 -0.047 0.000 0.933 452 D HN 0.664 nan 8.370 nan 0.000 0.499 453 T N -1.603 112.923 114.554 -0.047 0.000 2.881 453 T HA -0.080 4.310 4.350 0.066 0.000 0.270 453 T C 1.832 176.525 174.700 -0.012 0.000 1.068 453 T CA 0.633 62.693 62.100 -0.068 0.000 1.131 453 T CB -0.212 68.635 68.868 -0.036 0.000 0.871 453 T HN 0.165 nan 8.240 nan 0.000 0.479 454 L N -0.776 120.441 121.223 -0.010 0.000 2.667 454 L HA 0.388 4.767 4.340 0.066 0.000 0.232 454 L C 2.139 178.982 176.870 -0.045 0.000 1.138 454 L CA 0.093 54.913 54.840 -0.032 0.000 0.921 454 L CB 0.092 42.079 42.059 -0.120 0.000 1.180 454 L HN 0.148 nan 8.230 nan 0.000 0.487 455 K N -0.104 120.274 120.400 -0.038 0.000 2.393 455 K HA 0.083 4.443 4.320 0.066 0.000 0.193 455 K C 0.363 176.951 176.600 -0.019 0.000 1.026 455 K CA 0.077 56.346 56.287 -0.029 0.000 1.064 455 K CB 0.693 33.176 32.500 -0.028 0.000 0.833 455 K HN 0.149 nan 8.250 nan 0.000 0.521 456 V N -2.971 116.929 119.914 -0.023 0.000 2.850 456 V HA 0.723 4.883 4.120 0.066 0.000 0.315 456 V C -0.102 175.991 176.094 -0.003 0.000 1.064 456 V CA -0.960 61.329 62.300 -0.018 0.000 0.979 456 V CB 1.677 33.478 31.823 -0.037 0.000 1.039 456 V HN -0.096 nan 8.190 nan 0.000 0.452 457 A N 1.717 124.543 122.820 0.010 0.000 2.855 457 A HA 0.597 4.957 4.320 0.066 0.000 0.301 457 A C -0.170 177.429 177.584 0.025 0.000 1.076 457 A CA -0.004 52.051 52.037 0.030 0.000 1.004 457 A CB -0.737 18.297 19.000 0.057 0.000 1.152 457 A HN 0.989 nan 8.150 nan 0.000 0.531 458 D N -0.838 119.565 120.400 0.005 0.000 2.964 458 D HA 0.266 4.945 4.640 0.066 0.000 0.234 458 D C -0.246 176.046 176.300 -0.012 0.000 1.223 458 D CA -0.328 53.673 54.000 0.003 0.000 0.889 458 D CB 1.553 42.351 40.800 -0.004 0.000 1.609 458 D HN -0.037 nan 8.370 nan 0.000 0.523 459 D N 1.588 121.990 120.400 0.004 0.000 2.117 459 D HA -0.102 4.578 4.640 0.066 0.000 0.197 459 D C 1.460 177.743 176.300 -0.028 0.000 0.987 459 D CA 1.368 55.370 54.000 0.003 0.000 0.829 459 D CB 0.190 41.009 40.800 0.032 0.000 0.961 459 D HN 0.494 nan 8.370 nan 0.000 0.460 460 T N 0.832 115.373 114.554 -0.021 0.000 2.777 460 T HA -0.136 4.254 4.350 0.066 0.000 0.266 460 T C 1.971 176.634 174.700 -0.063 0.000 1.040 460 T CA 0.986 63.068 62.100 -0.030 0.000 1.141 460 T CB -0.144 68.716 68.868 -0.014 0.000 0.868 460 T HN 0.252 nan 8.240 nan 0.000 0.444 461 Q N 0.490 120.249 119.800 -0.068 0.000 2.084 461 Q HA -0.017 4.363 4.340 0.066 0.000 0.202 461 Q C 2.650 178.545 176.000 -0.175 0.000 0.978 461 Q CA 1.056 56.803 55.803 -0.092 0.000 0.844 461 Q CB -0.140 28.556 28.738 -0.070 0.000 0.898 461 Q HN 0.414 nan 8.270 nan 0.000 0.426 462 R N 0.012 120.382 120.500 -0.217 0.000 2.083 462 R HA -0.110 4.270 4.340 0.066 0.000 0.237 462 R C 2.507 178.392 176.300 -0.691 0.000 1.137 462 R CA 1.566 57.389 56.100 -0.461 0.000 0.951 462 R CB -0.181 29.907 30.300 -0.354 0.000 0.851 462 R HN 0.107 nan 8.270 nan 0.000 0.434 463 S N 0.564 116.075 115.700 -0.316 0.000 2.382 463 S HA -0.143 4.366 4.470 0.066 0.000 0.228 463 S C 1.623 176.163 174.600 -0.100 0.000 1.027 463 S CA 1.243 59.367 58.200 -0.127 0.000 0.991 463 S CB -0.083 63.111 63.200 -0.010 0.000 0.823 463 S HN 0.382 nan 8.310 nan 0.000 0.469 464 E N 0.823 120.954 120.200 -0.115 0.000 2.077 464 E HA -0.099 4.291 4.350 0.066 0.000 0.193 464 E C 2.016 178.566 176.600 -0.083 0.000 0.989 464 E CA 0.895 57.253 56.400 -0.071 0.000 0.800 464 E CB -0.262 29.400 29.700 -0.062 0.000 0.746 464 E HN 0.416 nan 8.360 nan 0.000 0.452 465 L N 0.079 121.199 121.223 -0.171 0.000 2.093 465 L HA -0.197 4.183 4.340 0.066 0.000 0.208 465 L C 2.340 179.164 176.870 -0.077 0.000 1.085 465 L CA 0.948 55.691 54.840 -0.161 0.000 0.755 465 L CB -0.390 41.526 42.059 -0.239 0.000 0.904 465 L HN 0.166 nan 8.230 nan 0.000 0.435 466 Y N -0.154 120.112 120.300 -0.056 0.000 2.181 466 Y HA -0.182 4.408 4.550 0.066 0.000 0.288 466 Y C 2.637 178.515 175.900 -0.037 0.000 1.146 466 Y CA 0.553 58.615 58.100 -0.064 0.000 1.164 466 Y CB -1.258 37.159 38.460 -0.072 0.000 0.982 466 Y HN 0.118 nan 8.280 nan 0.000 0.515 467 A N 0.436 123.327 122.820 0.119 0.000 1.883 467 A HA -0.183 4.176 4.320 0.066 0.000 0.217 467 A C 2.268 179.893 177.584 0.069 0.000 1.186 467 A CA 1.775 53.856 52.037 0.073 0.000 0.624 467 A CB -0.401 18.624 19.000 0.041 0.000 0.822 467 A HN 0.177 nan 8.150 nan 0.000 0.444 468 K N 0.021 120.449 120.400 0.046 0.000 2.148 468 K HA 0.036 4.396 4.320 0.066 0.000 0.204 468 K C 2.161 178.808 176.600 0.078 0.000 1.050 468 K CA 1.268 57.584 56.287 0.049 0.000 0.942 468 K CB -0.933 31.578 32.500 0.019 0.000 0.724 468 K HN 0.465 nan 8.250 nan 0.000 0.446 469 A N 1.786 124.644 122.820 0.063 0.000 1.930 469 A HA -0.147 4.213 4.320 0.066 0.000 0.217 469 A C 2.062 179.810 177.584 0.274 0.000 1.175 469 A CA 1.259 53.342 52.037 0.077 0.000 0.627 469 A CB -0.194 18.718 19.000 -0.147 0.000 0.815 469 A HN 0.198 nan 8.150 nan 0.000 0.443 470 E N 0.037 120.354 120.200 0.195 0.000 2.106 470 E HA -0.201 4.188 4.350 0.066 0.000 0.192 470 E C 2.192 178.886 176.600 0.157 0.000 0.984 470 E CA 1.310 57.817 56.400 0.178 0.000 0.806 470 E CB -0.353 29.413 29.700 0.111 0.000 0.750 470 E HN 0.778 nan 8.360 nan 0.000 0.458 471 Q N 0.326 120.209 119.800 0.137 0.000 2.124 471 Q HA -0.221 4.158 4.340 0.066 0.000 0.202 471 Q C 2.215 178.301 176.000 0.144 0.000 0.977 471 Q CA 1.461 57.340 55.803 0.126 0.000 0.850 471 Q CB -0.134 28.661 28.738 0.096 0.000 0.901 471 Q HN 0.100 nan 8.270 nan 0.000 0.429 472 Q N 0.941 120.849 119.800 0.180 0.000 2.050 472 Q HA -0.182 4.198 4.340 0.066 0.000 0.202 472 Q C 1.846 177.963 176.000 0.195 0.000 0.980 472 Q CA 1.223 57.155 55.803 0.216 0.000 0.840 472 Q CB -0.331 28.591 28.738 0.307 0.000 0.898 472 Q HN 0.317 nan 8.270 nan 0.000 0.424 473 L N 0.610 121.932 121.223 0.166 0.000 2.042 473 L HA -0.167 4.213 4.340 0.066 0.000 0.210 473 L C 1.850 178.674 176.870 -0.075 0.000 1.076 473 L CA 2.470 57.248 54.840 -0.104 0.000 0.749 473 L CB -0.856 41.100 42.059 -0.171 0.000 0.893 473 L HN 0.397 nan 8.230 nan 0.000 0.432 474 D N -0.588 119.839 120.400 0.045 0.000 2.097 474 D HA -0.266 4.414 4.640 0.066 0.000 0.195 474 D C 2.220 178.573 176.300 0.087 0.000 0.989 474 D CA 1.635 55.698 54.000 0.105 0.000 0.827 474 D CB -0.173 40.760 40.800 0.221 0.000 0.966 474 D HN 0.405 nan 8.370 nan 0.000 0.456 475 K N 0.034 120.493 120.400 0.099 0.000 2.147 475 K HA -0.156 4.204 4.320 0.066 0.000 0.205 475 K C 0.748 177.385 176.600 0.061 0.000 1.049 475 K CA 1.584 57.923 56.287 0.088 0.000 0.936 475 K CB -0.101 32.460 32.500 0.101 0.000 0.722 475 K HN 0.086 nan 8.250 nan 0.000 0.446 476 D N 0.805 121.242 120.400 0.062 0.000 2.349 476 D HA 0.018 4.697 4.640 0.066 0.000 0.215 476 D C -0.249 176.048 176.300 -0.005 0.000 1.016 476 D CA 0.369 54.409 54.000 0.066 0.000 0.870 476 D CB 0.251 41.168 40.800 0.195 0.000 0.917 476 D HN 0.124 nan 8.370 nan 0.000 0.524 477 S N 0.098 115.766 115.700 -0.053 0.000 3.524 477 S HA -0.243 4.267 4.470 0.066 0.000 0.377 477 S C 1.396 175.922 174.600 -0.124 0.000 0.949 477 S CA 0.294 58.441 58.200 -0.088 0.000 1.264 477 S CB -1.208 61.941 63.200 -0.085 0.000 0.918 477 S HN 0.522 nan 8.310 nan 0.000 0.517 478 A N 0.413 123.076 122.820 -0.262 0.000 1.930 478 A HA 0.277 4.636 4.320 0.066 0.000 0.217 478 A C 1.002 178.433 177.584 -0.255 0.000 1.175 478 A CA 1.466 53.266 52.037 -0.396 0.000 0.627 478 A CB -0.379 18.023 19.000 -0.996 0.000 0.815 478 A HN 1.074 nan 8.150 nan 0.000 0.443 479 I N -5.588 114.853 120.570 -0.216 0.000 3.322 479 I HA 0.666 4.875 4.170 0.066 0.000 0.313 479 I C -1.083 175.058 176.117 0.041 0.000 1.129 479 I CA -1.288 59.972 61.300 -0.067 0.000 0.963 479 I CB 2.267 40.168 38.000 -0.164 0.000 1.273 479 I HN -0.253 nan 8.210 nan 0.000 0.473 480 V N 2.456 122.485 119.914 0.192 0.000 2.284 480 V HA 0.399 4.558 4.120 0.066 0.000 0.274 480 V C -2.390 173.873 176.094 0.281 0.000 1.023 480 V CA -1.536 60.918 62.300 0.255 0.000 0.808 480 V CB 0.535 32.613 31.823 0.424 0.000 1.035 480 V HN 0.590 nan 8.190 nan 0.000 0.445 481 P HA 0.159 nan 4.420 nan 0.000 0.268 481 P C 0.459 177.864 177.300 0.175 0.000 1.204 481 P CA 0.406 63.606 63.100 0.168 0.000 0.768 481 P CB 1.484 33.251 31.700 0.112 0.000 0.842 482 V N 2.722 122.686 119.914 0.083 0.000 3.001 482 V HA 0.206 4.365 4.120 0.066 0.000 0.228 482 V C -0.099 175.999 176.094 0.007 0.000 1.204 482 V CA 1.025 63.368 62.300 0.071 0.000 1.247 482 V CB -0.480 31.361 31.823 0.029 0.000 1.093 482 V HN 0.558 nan 8.190 nan 0.000 0.504 483 Y N -2.245 117.964 120.300 -0.152 0.000 2.609 483 Y HA 0.742 5.330 4.550 0.065 0.000 0.336 483 Y C -1.653 174.074 175.900 -0.289 0.000 1.129 483 Y CA -2.480 55.447 58.100 -0.289 0.000 1.040 483 Y CB 0.559 38.888 38.460 -0.220 0.000 1.310 483 Y HN 0.097 nan 8.280 nan 0.000 0.460 484 Y N 1.670 122.184 120.300 0.357 0.000 2.327 484 Y HA 0.409 4.998 4.550 0.067 0.000 0.336 484 Y C -0.417 175.797 175.900 0.524 0.000 1.035 484 Y CA -0.973 57.344 58.100 0.361 0.000 1.165 484 Y CB 0.154 38.815 38.460 0.335 0.000 1.181 484 Y HN 0.538 nan 8.280 nan 0.000 0.494 485 Y N 1.746 122.359 120.300 0.522 0.000 2.457 485 Y HA 0.322 4.912 4.550 0.067 0.000 0.341 485 Y C 0.596 176.723 175.900 0.378 0.000 1.240 485 Y CA -0.833 57.561 58.100 0.489 0.000 1.437 485 Y CB 0.385 39.086 38.460 0.401 0.000 1.328 485 Y HN 0.407 nan 8.280 nan 0.000 0.588 486 V N -0.010 120.164 119.914 0.435 0.000 2.850 486 V HA 0.470 4.630 4.120 0.066 0.000 0.315 486 V C -0.242 176.056 176.094 0.341 0.000 1.064 486 V CA -1.310 61.170 62.300 0.300 0.000 0.979 486 V CB 1.837 33.724 31.823 0.108 0.000 1.039 486 V HN 0.743 nan 8.190 nan 0.000 0.452 487 N N 2.455 121.238 118.700 0.140 0.000 2.602 487 N HA 0.497 5.276 4.740 0.066 0.000 0.238 487 N C -0.326 175.123 175.510 -0.102 0.000 1.084 487 N CA 0.158 53.100 53.050 -0.181 0.000 0.952 487 N CB 0.490 38.630 38.487 -0.577 0.000 1.244 487 N HN 1.143 nan 8.380 nan 0.000 0.512 488 A N 3.940 126.722 122.820 -0.063 0.000 2.288 488 A HA 0.784 5.143 4.320 0.066 0.000 0.320 488 A C -0.061 177.469 177.584 -0.090 0.000 1.217 488 A CA -0.666 51.342 52.037 -0.048 0.000 0.840 488 A CB 0.620 19.572 19.000 -0.080 0.000 1.179 488 A HN 0.797 nan 8.150 nan 0.000 0.504 489 R N 1.489 121.942 120.500 -0.079 0.000 2.733 489 R HA 0.731 5.110 4.340 0.066 0.000 0.272 489 R C -1.878 174.311 176.300 -0.186 0.000 1.029 489 R CA -0.968 55.040 56.100 -0.154 0.000 0.888 489 R CB 0.917 31.089 30.300 -0.213 0.000 1.251 489 R HN 0.419 nan 8.270 nan 0.000 0.464 490 L N 1.325 122.344 121.223 -0.340 0.000 2.309 490 L HA 0.708 5.088 4.340 0.066 0.000 0.282 490 L C -0.721 175.921 176.870 -0.379 0.000 1.036 490 L CA -1.328 53.204 54.840 -0.512 0.000 0.806 490 L CB 1.952 43.291 42.059 -1.201 0.000 1.220 490 L HN 0.336 nan 8.230 nan 0.000 0.429 491 V N 2.716 122.530 119.914 -0.168 0.000 2.577 491 V HA 0.341 4.501 4.120 0.066 0.000 0.303 491 V C -0.038 175.996 176.094 -0.101 0.000 1.042 491 V CA -1.124 61.118 62.300 -0.096 0.000 0.872 491 V CB 1.898 33.620 31.823 -0.167 0.000 0.998 491 V HN 0.600 nan 8.190 nan 0.000 0.423 492 K N 4.635 124.852 120.400 -0.306 0.000 2.380 492 K HA 0.196 4.556 4.320 0.066 0.000 0.267 492 K C -1.655 174.492 176.600 -0.754 0.000 0.990 492 K CA -1.556 54.215 56.287 -0.860 0.000 0.946 492 K CB 0.949 32.328 32.500 -1.868 0.000 0.937 492 K HN 0.289 nan 8.250 nan 0.000 0.491 493 P HA -0.122 nan 4.420 nan 0.000 0.219 493 P C 0.713 177.901 177.300 -0.185 0.000 1.146 493 P CA 1.226 64.146 63.100 -0.300 0.000 0.808 493 P CB -0.048 31.564 31.700 -0.146 0.000 0.779 494 W N -1.833 119.359 121.300 -0.179 0.000 3.180 494 W HA 0.276 4.976 4.660 0.066 0.000 0.254 494 W C -0.385 176.040 176.519 -0.156 0.000 1.318 494 W CA -0.157 57.084 57.345 -0.173 0.000 1.608 494 W CB -1.295 27.933 29.460 -0.387 0.000 1.124 494 W HN -0.385 nan 8.180 nan 0.000 0.694 495 V N 3.151 122.941 119.914 -0.207 0.000 2.389 495 V HA 0.565 4.725 4.120 0.066 0.000 0.264 495 V C 0.932 176.868 176.094 -0.264 0.000 1.049 495 V CA -0.231 61.958 62.300 -0.186 0.000 0.932 495 V CB -0.049 31.638 31.823 -0.227 0.000 1.011 495 V HN 0.202 nan 8.190 nan 0.000 0.475 496 G N 2.713 111.183 108.800 -0.549 0.000 2.437 496 G HA2 0.559 4.559 3.960 0.066 0.000 0.319 496 G HA3 0.559 4.559 3.960 0.066 0.000 0.319 496 G C 0.829 175.260 174.900 -0.781 0.000 1.158 496 G CA 0.089 44.654 45.100 -0.893 0.000 0.899 496 G HN 1.461 nan 8.290 nan 0.000 0.502 497 G N -1.279 107.342 108.800 -0.297 0.000 2.176 497 G HA2 -0.257 3.743 3.960 0.066 0.000 0.232 497 G HA3 -0.257 3.743 3.960 0.066 0.000 0.232 497 G C 0.128 175.074 174.900 0.076 0.000 0.986 497 G CA 0.670 45.778 45.100 0.013 0.000 0.643 497 G HN 1.222 nan 8.290 nan 0.000 0.522 498 Y N 2.940 123.186 120.300 -0.090 0.000 2.595 498 Y HA 0.484 5.090 4.550 0.094 0.000 0.336 498 Y C 1.756 177.626 175.900 -0.050 0.000 0.996 498 Y CA 0.320 58.381 58.100 -0.065 0.000 1.260 498 Y CB 0.781 39.182 38.460 -0.098 0.000 1.108 498 Y HN 0.284 nan 8.280 nan 0.000 0.509 499 T N 0.713 115.046 114.554 -0.369 0.000 2.770 499 T HA 0.095 4.484 4.350 0.066 0.000 0.263 499 T C 1.674 176.075 174.700 -0.497 0.000 1.039 499 T CA 1.093 63.002 62.100 -0.317 0.000 1.142 499 T CB -0.660 68.105 68.868 -0.172 0.000 0.868 499 T HN 1.321 nan 8.240 nan 0.000 0.435 500 G N 1.016 109.335 108.800 -0.802 0.000 2.157 500 G HA2 -0.235 3.765 3.960 0.066 0.000 0.248 500 G HA3 -0.235 3.765 3.960 0.066 0.000 0.248 500 G C 0.890 175.615 174.900 -0.293 0.000 0.979 500 G CA 0.444 45.170 45.100 -0.623 0.000 0.650 500 G HN 0.510 nan 8.290 nan 0.000 0.529 501 K N 0.184 120.443 120.400 -0.236 0.000 2.365 501 K HA 0.015 4.375 4.320 0.066 0.000 0.197 501 K C 0.545 177.085 176.600 -0.100 0.000 1.042 501 K CA 0.449 56.658 56.287 -0.129 0.000 0.987 501 K CB 0.072 32.513 32.500 -0.099 0.000 0.779 501 K HN 0.450 nan 8.250 nan 0.000 0.484 502 D N 1.679 122.013 120.400 -0.109 0.000 2.339 502 D HA 0.040 4.719 4.640 0.066 0.000 0.241 502 D C -1.649 174.654 176.300 0.004 0.000 1.183 502 D CA -2.224 51.745 54.000 -0.051 0.000 0.859 502 D CB 1.430 42.215 40.800 -0.025 0.000 1.067 502 D HN -0.054 nan 8.370 nan 0.000 0.484 503 P HA -0.054 nan 4.420 nan 0.000 0.230 503 P C 1.224 178.655 177.300 0.220 0.000 1.158 503 P CA 0.512 63.700 63.100 0.146 0.000 0.769 503 P CB 0.417 32.207 31.700 0.150 0.000 0.807 504 L N -1.046 120.265 121.223 0.147 0.000 2.529 504 L HA 0.123 4.503 4.340 0.066 0.000 0.223 504 L C 0.549 177.522 176.870 0.171 0.000 1.113 504 L CA 0.249 55.181 54.840 0.152 0.000 0.861 504 L CB -1.015 41.099 42.059 0.090 0.000 1.012 504 L HN -0.006 nan 8.230 nan 0.000 0.461 505 D N 1.409 121.870 120.400 0.102 0.000 2.689 505 D HA -0.201 4.479 4.640 0.066 0.000 0.237 505 D C 0.004 176.329 176.300 0.042 0.000 1.148 505 D CA 0.325 54.347 54.000 0.037 0.000 0.656 505 D CB -0.888 39.862 40.800 -0.084 0.000 1.050 505 D HN 0.134 nan 8.370 nan 0.000 0.426 506 N N 1.278 120.011 118.700 0.054 0.000 2.968 506 N HA 0.098 4.878 4.740 0.066 0.000 0.271 506 N C 0.079 175.591 175.510 0.004 0.000 1.174 506 N CA -0.211 52.840 53.050 0.003 0.000 1.096 506 N CB 0.122 38.663 38.487 0.090 0.000 1.403 506 N HN 0.315 nan 8.380 nan 0.000 0.522 507 I N 1.807 122.357 120.570 -0.034 0.000 2.575 507 I HA 0.106 4.316 4.170 0.066 0.000 0.285 507 I C 0.110 176.152 176.117 -0.125 0.000 1.085 507 I CA -0.440 60.889 61.300 0.048 0.000 1.403 507 I CB -0.178 37.863 38.000 0.068 0.000 1.409 507 I HN 0.190 nan 8.210 nan 0.000 0.557 508 Y N 4.003 124.349 120.300 0.077 0.000 2.331 508 Y HA 0.285 4.872 4.550 0.061 0.000 0.334 508 Y C 1.057 177.005 175.900 0.081 0.000 0.960 508 Y CA -0.678 57.466 58.100 0.074 0.000 1.130 508 Y CB 1.605 40.114 38.460 0.081 0.000 1.164 508 Y HN 0.255 nan 8.280 nan 0.000 0.458 509 V N 3.123 123.133 119.914 0.160 0.000 2.720 509 V HA -0.285 3.875 4.120 0.066 0.000 0.256 509 V C 2.066 178.312 176.094 0.253 0.000 1.082 509 V CA 2.062 64.415 62.300 0.088 0.000 1.101 509 V CB -0.546 31.165 31.823 -0.187 0.000 0.693 509 V HN 0.803 nan 8.190 nan 0.000 0.479 510 K N 0.374 121.001 120.400 0.379 0.000 2.360 510 K HA -0.169 4.190 4.320 0.066 0.000 0.201 510 K C 1.286 178.004 176.600 0.196 0.000 1.046 510 K CA 1.693 58.144 56.287 0.272 0.000 0.945 510 K CB -0.304 32.272 32.500 0.127 0.000 0.750 510 K HN 0.410 nan 8.250 nan 0.000 0.464 511 N N 0.587 119.412 118.700 0.208 0.000 2.353 511 N HA 0.153 4.933 4.740 0.066 0.000 0.185 511 N C 0.254 175.896 175.510 0.220 0.000 1.098 511 N CA 0.236 53.402 53.050 0.194 0.000 0.872 511 N CB 0.222 38.822 38.487 0.189 0.000 0.970 511 N HN 0.181 nan 8.380 nan 0.000 0.467 512 L N 0.241 121.576 121.223 0.186 0.000 2.416 512 L HA 0.450 4.829 4.340 0.066 0.000 0.263 512 L C -0.648 176.348 176.870 0.210 0.000 1.065 512 L CA -1.119 53.783 54.840 0.103 0.000 0.798 512 L CB 0.781 42.850 42.059 0.016 0.000 1.267 512 L HN 0.094 nan 8.230 nan 0.000 0.467 513 Y N -1.429 118.923 120.300 0.087 0.000 2.604 513 Y HA 0.579 5.157 4.550 0.046 0.000 0.331 513 Y C -1.300 174.666 175.900 0.109 0.000 1.158 513 Y CA -1.433 56.721 58.100 0.088 0.000 1.056 513 Y CB 0.771 39.278 38.460 0.079 0.000 1.330 513 Y HN 0.099 nan 8.280 nan 0.000 0.457 514 I N 4.291 125.019 120.570 0.263 0.000 2.312 514 I HA 0.348 4.558 4.170 0.066 0.000 0.290 514 I C 0.108 176.406 176.117 0.302 0.000 1.008 514 I CA -1.202 60.244 61.300 0.243 0.000 1.226 514 I CB 0.876 39.001 38.000 0.208 0.000 1.371 514 I HN 0.652 nan 8.210 nan 0.000 0.468 515 I N 5.131 125.897 120.570 0.328 0.000 2.575 515 I HA 0.104 4.313 4.170 0.066 0.000 0.285 515 I C 0.994 177.284 176.117 0.288 0.000 1.085 515 I CA -0.582 60.905 61.300 0.312 0.000 1.403 515 I CB 0.520 38.699 38.000 0.298 0.000 1.409 515 I HN 0.489 nan 8.210 nan 0.000 0.557 516 K N 6.179 126.683 120.400 0.173 0.000 2.511 516 K HA -0.020 4.339 4.320 0.066 0.000 0.280 516 K C -0.315 176.356 176.600 0.118 0.000 1.008 516 K CA 0.465 56.795 56.287 0.072 0.000 1.050 516 K CB 0.228 32.744 32.500 0.025 0.000 0.889 516 K HN 0.650 nan 8.250 nan 0.000 0.484 517 H N 0.000 119.002 119.070 -0.114 0.000 2.539 517 H HA 0.000 4.596 4.556 0.067 0.000 0.296 517 H CA 0.000 55.974 56.048 -0.124 0.000 1.023 517 H CB 0.000 29.671 29.762 -0.152 0.000 1.292 517 H HN 0.000 nan 8.280 nan 0.000 0.496