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 1b3h_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 0.000 177.622 177.584 0.064 0.000 1.274 1 A CA 0.000 52.116 52.037 0.131 0.000 0.836 1 A CB 0.000 19.127 19.000 0.212 0.000 0.831 2 D N 1.925 122.369 120.400 0.073 0.000 2.462 2 D HA 0.394 5.077 4.640 0.072 0.000 0.249 2 D C -0.404 175.857 176.300 -0.065 0.000 1.117 2 D CA -0.000 54.008 54.000 0.013 0.000 0.900 2 D CB 1.596 42.422 40.800 0.044 0.000 1.039 2 D HN 0.260 nan 8.370 nan 0.000 0.516 3 V N 3.971 123.762 119.914 -0.206 0.000 2.439 3 V HA 0.129 4.292 4.120 0.072 0.000 0.271 3 V C -1.672 174.282 176.094 -0.234 0.000 1.040 3 V CA -1.185 60.838 62.300 -0.462 0.000 1.002 3 V CB 0.222 31.742 31.823 -0.504 0.000 1.000 3 V HN 0.298 nan 8.190 nan 0.000 0.477 4 P HA 0.104 nan 4.420 nan 0.000 0.264 4 P C -0.008 177.262 177.300 -0.050 0.000 1.179 4 P CA 0.061 63.132 63.100 -0.048 0.000 0.763 4 P CB 0.382 32.095 31.700 0.021 0.000 0.806 5 A N 2.660 125.467 122.820 -0.022 0.000 2.567 5 A HA 0.392 4.755 4.320 0.072 0.000 0.240 5 A C 1.628 179.208 177.584 -0.006 0.000 1.053 5 A CA 0.744 52.772 52.037 -0.016 0.000 0.755 5 A CB -1.175 17.823 19.000 -0.004 0.000 0.978 5 A HN 0.944 nan 8.150 nan 0.000 0.507 6 G N 0.555 109.350 108.800 -0.007 0.000 2.253 6 G HA2 -0.128 3.876 3.960 0.072 0.000 0.251 6 G HA3 -0.128 3.876 3.960 0.072 0.000 0.251 6 G C 0.701 175.609 174.900 0.013 0.000 0.998 6 G CA 0.659 45.762 45.100 0.005 0.000 0.621 6 G HN 2.395 nan 8.290 nan 0.000 0.524 7 V N -0.808 119.110 119.914 0.007 0.000 2.686 7 V HA 0.666 4.829 4.120 0.072 0.000 0.295 7 V C 0.251 176.359 176.094 0.022 0.000 1.055 7 V CA -0.305 62.016 62.300 0.035 0.000 1.050 7 V CB 1.627 33.488 31.823 0.064 0.000 0.984 7 V HN 0.388 nan 8.190 nan 0.000 0.482 8 Q N 3.830 123.661 119.800 0.051 0.000 2.278 8 Q HA 0.539 4.923 4.340 0.072 0.000 0.257 8 Q C -0.961 175.080 176.000 0.069 0.000 0.928 8 Q CA -0.536 55.292 55.803 0.042 0.000 0.932 8 Q CB 1.742 30.502 28.738 0.037 0.000 1.221 8 Q HN 0.831 nan 8.270 nan 0.000 0.434 9 L N 1.929 123.183 121.223 0.050 0.000 2.334 9 L HA 0.493 4.876 4.340 0.072 0.000 0.277 9 L C 0.393 177.296 176.870 0.054 0.000 1.075 9 L CA -0.674 54.214 54.840 0.081 0.000 0.804 9 L CB 1.184 43.278 42.059 0.058 0.000 1.174 9 L HN 0.636 nan 8.230 nan 0.000 0.438 10 A N 1.442 124.304 122.820 0.070 0.000 2.466 10 A HA 0.007 4.371 4.320 0.072 0.000 0.238 10 A C 0.742 178.319 177.584 -0.011 0.000 1.074 10 A CA -0.222 51.813 52.037 -0.004 0.000 0.774 10 A CB 0.129 19.119 19.000 -0.017 0.000 1.015 10 A HN 0.856 nan 8.150 nan 0.000 0.498 11 D N 0.069 120.440 120.400 -0.048 0.000 2.097 11 D HA -0.065 4.619 4.640 0.072 0.000 0.195 11 D C 0.733 177.018 176.300 -0.024 0.000 0.989 11 D CA 1.522 55.501 54.000 -0.036 0.000 0.827 11 D CB 0.059 40.827 40.800 -0.053 0.000 0.966 11 D HN 0.583 nan 8.370 nan 0.000 0.456 12 K N 1.324 121.700 120.400 -0.041 0.000 2.267 12 K HA 0.092 4.455 4.320 0.072 0.000 0.282 12 K C -0.504 176.100 176.600 0.007 0.000 1.078 12 K CA -0.234 56.038 56.287 -0.025 0.000 0.903 12 K CB 0.546 33.015 32.500 -0.052 0.000 1.111 12 K HN -0.177 nan 8.250 nan 0.000 0.475 13 Q N 3.447 123.265 119.800 0.030 0.000 2.901 13 Q HA 0.115 4.499 4.340 0.072 0.000 0.265 13 Q C -0.683 175.352 176.000 0.058 0.000 1.263 13 Q CA -0.171 55.669 55.803 0.062 0.000 1.088 13 Q CB 1.069 29.855 28.738 0.080 0.000 1.339 13 Q HN 0.732 nan 8.270 nan 0.000 0.546 14 T N -1.656 112.923 114.554 0.042 0.000 2.907 14 T HA 0.777 5.170 4.350 0.072 0.000 0.292 14 T C -0.637 174.070 174.700 0.012 0.000 1.043 14 T CA -0.890 61.221 62.100 0.019 0.000 1.003 14 T CB 1.942 70.811 68.868 0.003 0.000 1.084 14 T HN 0.226 nan 8.240 nan 0.000 0.483 15 L N 1.771 122.971 121.223 -0.040 0.000 2.422 15 L HA 0.804 5.187 4.340 0.072 0.000 0.264 15 L C -1.574 175.213 176.870 -0.138 0.000 0.984 15 L CA -0.699 54.099 54.840 -0.071 0.000 0.819 15 L CB 2.363 44.351 42.059 -0.118 0.000 1.330 15 L HN 0.716 nan 8.230 nan 0.000 0.410 16 V N 4.914 124.755 119.914 -0.121 0.000 2.444 16 V HA 0.627 4.790 4.120 0.072 0.000 0.294 16 V C -0.325 175.660 176.094 -0.181 0.000 1.022 16 V CA -0.563 61.646 62.300 -0.151 0.000 0.850 16 V CB 1.638 33.415 31.823 -0.077 0.000 0.992 16 V HN 0.707 nan 8.190 nan 0.000 0.426 17 R N 2.844 123.169 120.500 -0.291 0.000 2.599 17 R HA 0.454 4.837 4.340 0.072 0.000 0.295 17 R C -0.644 175.574 176.300 -0.137 0.000 0.963 17 R CA -0.856 55.093 56.100 -0.251 0.000 0.883 17 R CB 1.990 32.016 30.300 -0.456 0.000 1.171 17 R HN 0.699 nan 8.270 nan 0.000 0.450 18 N N 0.732 119.413 118.700 -0.031 0.000 2.529 18 N HA 0.022 4.805 4.740 0.072 0.000 0.278 18 N C -0.044 175.507 175.510 0.069 0.000 1.146 18 N CA -0.010 53.047 53.050 0.012 0.000 0.980 18 N CB 0.828 39.332 38.487 0.029 0.000 1.124 18 N HN 0.463 nan 8.380 nan 0.000 0.458 19 N N 1.503 120.192 118.700 -0.020 0.000 2.235 19 N HA 0.237 5.020 4.740 0.072 0.000 0.231 19 N C 0.749 175.846 175.510 -0.687 0.000 1.177 19 N CA 0.532 53.512 53.050 -0.116 0.000 0.874 19 N CB 0.162 38.656 38.487 0.012 0.000 1.097 19 N HN 0.773 nan 8.380 nan 0.000 0.518 20 G N -0.315 107.977 108.800 -0.846 0.000 2.708 20 G HA2 -0.307 3.696 3.960 0.072 0.000 0.229 20 G HA3 -0.307 3.696 3.960 0.072 0.000 0.229 20 G C 0.111 174.653 174.900 -0.596 0.000 1.236 20 G CA 0.666 45.088 45.100 -1.131 0.000 0.749 20 G HN 1.001 nan 8.290 nan 0.000 0.515 21 S N -1.088 114.332 115.700 -0.466 0.000 2.655 21 S HA 0.548 5.062 4.470 0.072 0.000 0.266 21 S C -1.043 173.487 174.600 -0.116 0.000 1.149 21 S CA 0.146 58.201 58.200 -0.242 0.000 0.818 21 S CB 2.007 65.049 63.200 -0.263 0.000 1.130 21 S HN 1.074 nan 8.310 nan 0.000 0.476 22 E N 1.648 121.862 120.200 0.024 0.000 2.324 22 E HA 0.398 4.791 4.350 0.072 0.000 0.271 22 E C 0.322 177.022 176.600 0.167 0.000 1.028 22 E CA -0.468 55.996 56.400 0.108 0.000 0.890 22 E CB 0.544 30.333 29.700 0.149 0.000 1.004 22 E HN 0.845 nan 8.360 nan 0.000 0.431 23 V N 2.701 122.685 119.914 0.116 0.000 2.999 23 V HA -0.060 4.103 4.120 0.072 0.000 0.307 23 V C 1.088 177.309 176.094 0.212 0.000 1.084 23 V CA 0.072 62.441 62.300 0.116 0.000 1.155 23 V CB 0.792 32.573 31.823 -0.071 0.000 0.975 23 V HN 0.853 nan 8.190 nan 0.000 0.490 24 Q N 1.839 121.762 119.800 0.205 0.000 2.079 24 Q HA 0.064 4.447 4.340 0.072 0.000 0.200 24 Q C 1.085 177.178 176.000 0.156 0.000 0.974 24 Q CA 1.706 57.600 55.803 0.153 0.000 0.840 24 Q CB 0.146 28.941 28.738 0.093 0.000 0.898 24 Q HN 0.986 nan 8.270 nan 0.000 0.430 25 S N -2.268 113.503 115.700 0.119 0.000 2.615 25 S HA 0.308 4.821 4.470 0.072 0.000 0.268 25 S C -0.909 173.663 174.600 -0.048 0.000 1.146 25 S CA -0.783 57.488 58.200 0.117 0.000 0.818 25 S CB 0.349 63.593 63.200 0.074 0.000 1.111 25 S HN 0.174 nan 8.310 nan 0.000 0.465 26 L N 1.279 122.429 121.223 -0.122 0.000 2.693 26 L HA 0.377 4.760 4.340 0.072 0.000 0.235 26 L C 0.171 176.936 176.870 -0.175 0.000 1.127 26 L CA -0.053 54.653 54.840 -0.224 0.000 0.914 26 L CB 0.189 42.026 42.059 -0.371 0.000 1.193 26 L HN 0.590 nan 8.230 nan 0.000 0.502 27 D N 1.598 121.897 120.400 -0.168 0.000 2.325 27 D HA 0.102 4.785 4.640 0.072 0.000 0.251 27 D C -1.677 174.574 176.300 -0.081 0.000 1.196 27 D CA -1.868 52.089 54.000 -0.071 0.000 0.866 27 D CB 1.888 42.754 40.800 0.110 0.000 1.101 27 D HN -0.106 nan 8.370 nan 0.000 0.476 28 P HA -0.108 nan 4.420 nan 0.000 0.220 28 P C 0.334 177.572 177.300 -0.104 0.000 1.144 28 P CA 1.255 64.195 63.100 -0.266 0.000 0.800 28 P CB 0.080 31.496 31.700 -0.473 0.000 0.772 29 H N -1.792 117.266 119.070 -0.020 0.000 2.539 29 H HA 0.182 4.781 4.556 0.072 0.000 0.269 29 H C 1.081 176.429 175.328 0.033 0.000 0.980 29 H CA 0.048 56.097 56.048 0.002 0.000 1.152 29 H CB 0.384 30.149 29.762 0.005 0.000 1.407 29 H HN -0.045 nan 8.280 nan 0.000 0.564 30 K N 1.056 121.542 120.400 0.143 0.000 2.387 30 K HA 0.201 4.565 4.320 0.072 0.000 0.203 30 K C 0.246 176.897 176.600 0.085 0.000 1.030 30 K CA 0.049 56.398 56.287 0.104 0.000 1.099 30 K CB 0.934 33.492 32.500 0.098 0.000 0.863 30 K HN 0.388 nan 8.250 nan 0.000 0.529 31 I N -1.521 119.100 120.570 0.085 0.000 2.750 31 I HA 0.335 4.548 4.170 0.072 0.000 0.308 31 I C 0.485 176.716 176.117 0.189 0.000 1.016 31 I CA -0.584 60.767 61.300 0.086 0.000 1.098 31 I CB 1.837 39.841 38.000 0.007 0.000 1.279 31 I HN 0.008 nan 8.210 nan 0.000 0.454 32 E N 2.350 122.678 120.200 0.213 0.000 2.703 32 E HA 0.302 4.696 4.350 0.072 0.000 0.214 32 E C 0.184 176.964 176.600 0.300 0.000 0.944 32 E CA -0.379 56.265 56.400 0.407 0.000 1.299 32 E CB 0.732 30.629 29.700 0.328 0.000 1.189 32 E HN 0.838 nan 8.360 nan 0.000 0.597 33 G N 0.556 109.502 108.800 0.243 0.000 2.597 33 G HA2 0.407 4.410 3.960 0.072 0.000 0.317 33 G HA3 0.407 4.410 3.960 0.072 0.000 0.317 33 G C 0.782 175.782 174.900 0.167 0.000 1.230 33 G CA -0.475 44.830 45.100 0.341 0.000 0.996 33 G HN -0.052 nan 8.290 nan 0.000 0.490 34 V N 1.198 121.196 119.914 0.139 0.000 2.295 34 V HA -0.090 4.073 4.120 0.072 0.000 0.246 34 V C -0.095 176.004 176.094 0.009 0.000 1.049 34 V CA 2.215 64.537 62.300 0.036 0.000 1.024 34 V CB -0.952 30.906 31.823 0.059 0.000 0.648 34 V HN 0.519 nan 8.190 nan 0.000 0.447 35 P HA -0.144 nan 4.420 nan 0.000 0.215 35 P C 1.504 178.724 177.300 -0.133 0.000 1.157 35 P CA 1.385 64.396 63.100 -0.148 0.000 0.874 35 P CB -0.001 31.505 31.700 -0.324 0.000 0.790 36 E N -0.662 119.518 120.200 -0.033 0.000 2.085 36 E HA -0.121 4.272 4.350 0.072 0.000 0.194 36 E C 2.110 178.614 176.600 -0.160 0.000 0.994 36 E CA 1.565 57.920 56.400 -0.075 0.000 0.801 36 E CB -1.103 28.609 29.700 0.020 0.000 0.743 36 E HN 0.164 nan 8.360 nan 0.000 0.453 37 S N 0.671 116.279 115.700 -0.152 0.000 2.428 37 S HA -0.047 4.466 4.470 0.072 0.000 0.230 37 S C 1.524 175.983 174.600 -0.235 0.000 1.014 37 S CA 0.488 58.556 58.200 -0.219 0.000 0.957 37 S CB -0.204 62.852 63.200 -0.240 0.000 0.784 37 S HN 0.229 nan 8.310 nan 0.000 0.499 38 N N 1.732 120.300 118.700 -0.220 0.000 2.069 38 N HA -0.079 4.704 4.740 0.072 0.000 0.191 38 N C 1.704 176.957 175.510 -0.428 0.000 1.031 38 N CA 1.190 54.094 53.050 -0.244 0.000 0.852 38 N CB -0.700 37.698 38.487 -0.150 0.000 1.018 38 N HN 0.234 nan 8.380 nan 0.000 0.423 39 V N 0.108 119.662 119.914 -0.600 0.000 2.453 39 V HA -0.096 4.067 4.120 0.072 0.000 0.247 39 V C 2.430 178.310 176.094 -0.357 0.000 1.048 39 V CA 1.400 63.282 62.300 -0.698 0.000 1.049 39 V CB -0.665 30.721 31.823 -0.728 0.000 0.672 39 V HN 0.293 nan 8.190 nan 0.000 0.457 40 S N -0.284 115.273 115.700 -0.238 0.000 2.383 40 S HA -0.206 4.307 4.470 0.072 0.000 0.229 40 S C 2.167 176.741 174.600 -0.043 0.000 1.030 40 S CA 1.514 59.677 58.200 -0.063 0.000 1.002 40 S CB -0.252 62.901 63.200 -0.078 0.000 0.829 40 S HN 0.552 nan 8.310 nan 0.000 0.467 41 R N 0.479 120.888 120.500 -0.153 0.000 2.148 41 R HA -0.023 4.360 4.340 0.072 0.000 0.227 41 R C 1.469 177.751 176.300 -0.030 0.000 1.103 41 R CA 1.400 57.412 56.100 -0.146 0.000 0.983 41 R CB -0.232 29.762 30.300 -0.510 0.000 0.874 41 R HN 0.421 nan 8.270 nan 0.000 0.451 42 D N 0.203 120.562 120.400 -0.068 0.000 2.234 42 D HA -0.034 4.649 4.640 0.072 0.000 0.205 42 D C 1.798 178.096 176.300 -0.003 0.000 0.962 42 D CA 0.890 54.917 54.000 0.044 0.000 0.855 42 D CB 0.256 41.047 40.800 -0.015 0.000 0.951 42 D HN 0.216 nan 8.370 nan 0.000 0.500 43 L N -1.294 119.843 121.223 -0.142 0.000 2.286 43 L HA 0.152 4.535 4.340 0.072 0.000 0.203 43 L C 0.214 176.768 176.870 -0.527 0.000 1.068 43 L CA 0.342 54.953 54.840 -0.382 0.000 0.811 43 L CB 0.159 41.826 42.059 -0.653 0.000 0.989 43 L HN -0.169 nan 8.230 nan 0.000 0.467 44 F N 0.077 120.053 119.950 0.043 0.000 2.458 44 F HA 0.385 4.954 4.527 0.071 0.000 0.336 44 F C 0.136 175.979 175.800 0.070 0.000 1.114 44 F CA -0.638 57.402 58.000 0.066 0.000 0.987 44 F CB 1.564 40.610 39.000 0.077 0.000 1.130 44 F HN -0.159 nan 8.300 nan 0.000 0.458 45 E N 2.164 122.502 120.200 0.231 0.000 2.191 45 E HA 0.558 4.951 4.350 0.072 0.000 0.263 45 E C -0.086 176.685 176.600 0.285 0.000 0.881 45 E CA -0.553 56.000 56.400 0.256 0.000 0.757 45 E CB 1.442 31.321 29.700 0.299 0.000 1.147 45 E HN 0.810 nan 8.360 nan 0.000 0.414 46 G N 2.992 111.975 108.800 0.306 0.000 2.509 46 G HA2 0.119 4.122 3.960 0.072 0.000 0.269 46 G HA3 0.119 4.122 3.960 0.072 0.000 0.269 46 G C 0.921 175.979 174.900 0.263 0.000 1.416 46 G CA -0.475 44.875 45.100 0.416 0.000 1.052 46 G HN 0.603 nan 8.290 nan 0.000 0.542 47 L N -1.348 119.889 121.223 0.024 0.000 1.989 47 L HA 0.001 4.384 4.340 0.072 0.000 0.211 47 L C 0.601 177.391 176.870 -0.133 0.000 1.071 47 L CA 0.869 55.530 54.840 -0.298 0.000 0.749 47 L CB -0.499 41.163 42.059 -0.662 0.000 0.890 47 L HN 0.116 nan 8.230 nan 0.000 0.431 48 L N -1.367 119.800 121.223 -0.093 0.000 2.323 48 L HA 0.548 4.931 4.340 0.072 0.000 0.265 48 L C -0.307 176.626 176.870 0.104 0.000 1.012 48 L CA -0.452 54.375 54.840 -0.023 0.000 0.820 48 L CB 1.971 43.961 42.059 -0.116 0.000 1.334 48 L HN -0.025 nan 8.230 nan 0.000 0.427 49 I N -3.112 117.544 120.570 0.143 0.000 3.042 49 I HA 0.687 4.900 4.170 0.072 0.000 0.310 49 I C -0.511 175.701 176.117 0.157 0.000 1.117 49 I CA -0.713 60.676 61.300 0.147 0.000 1.003 49 I CB 2.275 40.231 38.000 -0.074 0.000 1.228 49 I HN 0.347 nan 8.210 nan 0.000 0.443 50 S N 2.062 117.906 115.700 0.240 0.000 2.565 50 S HA 0.215 4.729 4.470 0.072 0.000 0.274 50 S C -0.432 174.240 174.600 0.121 0.000 1.309 50 S CA -0.613 57.726 58.200 0.231 0.000 1.043 50 S CB 0.733 64.117 63.200 0.306 0.000 0.939 50 S HN 0.806 nan 8.310 nan 0.000 0.504 51 D N 0.804 121.289 120.400 0.141 0.000 2.398 51 D HA 0.025 4.709 4.640 0.072 0.000 0.264 51 D C 1.658 178.019 176.300 0.102 0.000 1.263 51 D CA -0.559 53.508 54.000 0.113 0.000 1.037 51 D CB -0.290 40.624 40.800 0.191 0.000 1.101 51 D HN 0.278 nan 8.370 nan 0.000 0.551 52 V N -3.007 116.963 119.914 0.094 0.000 2.867 52 V HA -0.096 4.067 4.120 0.072 0.000 0.260 52 V C 1.336 177.429 176.094 -0.002 0.000 1.099 52 V CA 1.531 63.876 62.300 0.074 0.000 1.122 52 V CB -1.135 30.736 31.823 0.080 0.000 0.708 52 V HN 0.537 nan 8.190 nan 0.000 0.490 53 E N 0.339 120.506 120.200 -0.056 0.000 2.501 53 E HA 0.402 4.795 4.350 0.072 0.000 0.200 53 E C 1.587 178.003 176.600 -0.307 0.000 1.016 53 E CA 0.428 56.718 56.400 -0.184 0.000 0.921 53 E CB 0.597 30.177 29.700 -0.201 0.000 1.034 53 E HN 0.767 nan 8.360 nan 0.000 0.468 54 G N 1.723 110.424 108.800 -0.164 0.000 2.195 54 G HA2 -0.226 3.777 3.960 0.072 0.000 0.246 54 G HA3 -0.226 3.777 3.960 0.072 0.000 0.246 54 G C 0.093 174.965 174.900 -0.048 0.000 0.984 54 G CA -0.202 44.845 45.100 -0.089 0.000 0.633 54 G HN 0.368 nan 8.290 nan 0.000 0.525 55 H N 1.389 120.550 119.070 0.152 0.000 2.764 55 H HA 0.323 4.901 4.556 0.038 0.000 0.341 55 H C -2.326 173.136 175.328 0.224 0.000 1.072 55 H CA -1.398 54.761 56.048 0.186 0.000 1.444 55 H CB 0.334 30.204 29.762 0.179 0.000 1.458 55 H HN 0.132 nan 8.280 nan 0.000 0.572 56 P HA 0.030 nan 4.420 nan 0.000 0.264 56 P C -0.475 177.080 177.300 0.425 0.000 1.193 56 P CA 0.628 63.957 63.100 0.382 0.000 0.763 56 P CB 0.706 32.699 31.700 0.489 0.000 0.810 57 S N 3.818 119.739 115.700 0.367 0.000 2.638 57 S HA 0.518 5.031 4.470 0.072 0.000 0.274 57 S C -2.844 171.999 174.600 0.405 0.000 1.157 57 S CA -1.491 56.955 58.200 0.409 0.000 0.826 57 S CB 1.221 64.596 63.200 0.291 0.000 1.139 57 S HN 0.177 nan 8.310 nan 0.000 0.474 58 P HA 0.174 nan 4.420 nan 0.000 0.261 58 P C 0.014 177.499 177.300 0.310 0.000 1.183 58 P CA 0.512 63.872 63.100 0.433 0.000 0.761 58 P CB 0.319 32.208 31.700 0.314 0.000 0.785 59 G N 1.639 110.577 108.800 0.230 0.000 3.110 59 G HA2 0.090 4.093 3.960 0.072 0.000 0.207 59 G HA3 0.090 4.093 3.960 0.072 0.000 0.207 59 G C 1.052 176.052 174.900 0.167 0.000 1.841 59 G CA -0.215 45.050 45.100 0.275 0.000 0.751 59 G HN 0.263 nan 8.290 nan 0.000 0.771 60 V N 1.960 121.946 119.914 0.120 0.000 2.515 60 V HA 0.157 4.320 4.120 0.072 0.000 0.250 60 V C 1.858 177.888 176.094 -0.107 0.000 1.058 60 V CA 1.371 63.661 62.300 -0.016 0.000 1.064 60 V CB -0.784 31.098 31.823 0.100 0.000 0.675 60 V HN 0.592 nan 8.190 nan 0.000 0.461 61 A N 0.937 123.739 122.820 -0.030 0.000 2.354 61 A HA 0.269 4.632 4.320 0.072 0.000 0.281 61 A C 1.261 178.972 177.584 0.212 0.000 1.174 61 A CA -0.118 51.994 52.037 0.124 0.000 0.828 61 A CB 0.087 19.247 19.000 0.267 0.000 1.099 61 A HN 0.649 nan 8.150 nan 0.000 0.516 62 E N 2.853 123.126 120.200 0.121 0.000 2.318 62 E HA 0.029 4.422 4.350 0.072 0.000 0.193 62 E C 0.363 177.056 176.600 0.154 0.000 0.998 62 E CA 0.589 57.028 56.400 0.065 0.000 0.859 62 E CB -0.001 29.645 29.700 -0.092 0.000 0.812 62 E HN 0.627 nan 8.360 nan 0.000 0.492 63 K N 0.003 120.568 120.400 0.275 0.000 2.597 63 K HA 0.344 4.708 4.320 0.072 0.000 0.282 63 K C -1.995 174.833 176.600 0.380 0.000 0.975 63 K CA -0.843 55.491 56.287 0.077 0.000 0.867 63 K CB 1.069 33.499 32.500 -0.115 0.000 1.465 63 K HN 0.170 nan 8.250 nan 0.000 0.417 64 W N 0.172 121.536 121.300 0.107 0.000 3.074 64 W HA 0.712 5.411 4.660 0.064 0.000 0.332 64 W C -1.328 175.144 176.519 -0.078 0.000 1.253 64 W CA -0.633 56.688 57.345 -0.041 0.000 1.180 64 W CB 1.063 30.434 29.460 -0.150 0.000 1.445 64 W HN 0.616 nan 8.180 nan 0.000 0.573 65 E N 1.055 121.266 120.200 0.019 0.000 2.446 65 E HA 0.484 4.877 4.350 0.072 0.000 0.276 65 E C -1.311 175.113 176.600 -0.294 0.000 0.969 65 E CA -1.138 55.190 56.400 -0.120 0.000 0.800 65 E CB 2.008 31.630 29.700 -0.130 0.000 1.341 65 E HN 0.530 nan 8.360 nan 0.000 0.460 66 N N -0.534 117.863 118.700 -0.505 0.000 2.284 66 N HA 0.581 5.364 4.740 0.072 0.000 0.289 66 N C -1.520 173.605 175.510 -0.641 0.000 1.179 66 N CA -1.027 51.477 53.050 -0.910 0.000 0.774 66 N CB 1.564 38.960 38.487 -1.818 0.000 1.548 66 N HN 0.156 nan 8.380 nan 0.000 0.473 67 K N 1.038 121.086 120.400 -0.586 0.000 2.425 67 K HA 0.338 4.701 4.320 0.072 0.000 0.259 67 K C -1.015 175.336 176.600 -0.415 0.000 0.978 67 K CA -0.350 55.687 56.287 -0.417 0.000 0.883 67 K CB -0.045 32.292 32.500 -0.271 0.000 1.110 67 K HN 0.661 nan 8.250 nan 0.000 0.436 68 D N 4.551 124.669 120.400 -0.471 0.000 2.882 68 D HA -0.261 4.422 4.640 0.072 0.000 0.229 68 D C -0.477 175.660 176.300 -0.272 0.000 1.167 68 D CA 1.331 55.097 54.000 -0.390 0.000 0.759 68 D CB -1.590 39.108 40.800 -0.171 0.000 1.088 68 D HN 0.825 nan 8.370 nan 0.000 0.425 69 F N -2.339 117.495 119.950 -0.193 0.000 3.084 69 F HA -0.340 4.229 4.527 0.071 0.000 0.286 69 F C 1.595 177.485 175.800 0.150 0.000 0.855 69 F CA 1.469 59.458 58.000 -0.018 0.000 1.091 69 F CB -1.767 37.359 39.000 0.210 0.000 1.177 69 F HN 0.183 nan 8.300 nan 0.000 0.542 70 K N -1.044 119.370 120.400 0.023 0.000 2.504 70 K HA 0.359 4.722 4.320 0.072 0.000 0.203 70 K C 0.060 176.700 176.600 0.067 0.000 1.350 70 K CA 0.451 56.797 56.287 0.097 0.000 0.953 70 K CB 1.298 33.812 32.500 0.023 0.000 1.243 70 K HN 0.016 nan 8.250 nan 0.000 0.534 71 V N 1.877 121.721 119.914 -0.116 0.000 2.350 71 V HA 0.281 4.444 4.120 0.072 0.000 0.285 71 V C -1.523 174.435 176.094 -0.228 0.000 1.014 71 V CA -0.686 61.562 62.300 -0.086 0.000 0.831 71 V CB 0.688 32.444 31.823 -0.111 0.000 1.000 71 V HN 0.170 nan 8.190 nan 0.000 0.433 72 W N 2.574 123.816 121.300 -0.097 0.000 2.417 72 W HA 0.628 5.331 4.660 0.070 0.000 0.315 72 W C 0.278 176.608 176.519 -0.315 0.000 1.045 72 W CA -0.380 56.879 57.345 -0.145 0.000 1.221 72 W CB 1.933 31.465 29.460 0.120 0.000 1.309 72 W HN 0.369 nan 8.180 nan 0.000 0.453 73 T N 4.455 118.823 114.554 -0.310 0.000 2.770 73 T HA 0.487 4.880 4.350 0.072 0.000 0.283 73 T C -1.009 173.357 174.700 -0.556 0.000 0.988 73 T CA -0.472 61.424 62.100 -0.340 0.000 0.957 73 T CB 0.298 69.015 68.868 -0.251 0.000 0.930 73 T HN -0.028 nan 8.240 nan 0.000 0.443 74 F N 2.733 122.623 119.950 -0.100 0.000 2.427 74 F HA 0.328 4.897 4.527 0.069 0.000 0.346 74 F C 0.954 176.625 175.800 -0.214 0.000 1.120 74 F CA -1.000 56.982 58.000 -0.030 0.000 1.033 74 F CB 1.032 40.063 39.000 0.052 0.000 1.126 74 F HN 0.493 nan 8.300 nan 0.000 0.462 75 H N 5.419 124.646 119.070 0.262 0.000 2.690 75 H HA 0.310 4.909 4.556 0.071 0.000 0.289 75 H C -0.200 175.198 175.328 0.118 0.000 1.089 75 H CA -0.337 55.800 56.048 0.148 0.000 1.299 75 H CB 0.786 30.594 29.762 0.076 0.000 1.405 75 H HN 0.450 nan 8.280 nan 0.000 0.463 76 L N 4.239 125.563 121.223 0.168 0.000 2.331 76 L HA 0.241 4.624 4.340 0.072 0.000 0.278 76 L C 1.216 178.082 176.870 -0.007 0.000 1.106 76 L CA -0.632 54.252 54.840 0.073 0.000 0.824 76 L CB 0.640 42.750 42.059 0.085 0.000 1.142 76 L HN 0.476 nan 8.230 nan 0.000 0.443 77 R N 2.001 122.416 120.500 -0.141 0.000 2.640 77 R HA -0.005 4.378 4.340 0.072 0.000 0.270 77 R C 0.252 176.407 176.300 -0.242 0.000 1.024 77 R CA -0.174 55.777 56.100 -0.248 0.000 1.085 77 R CB 0.651 30.671 30.300 -0.467 0.000 0.963 77 R HN 0.657 nan 8.270 nan 0.000 0.426 78 E N 1.131 121.153 120.200 -0.297 0.000 2.204 78 E HA -0.175 4.218 4.350 0.072 0.000 0.195 78 E C 0.564 177.065 176.600 -0.165 0.000 0.990 78 E CA 1.377 57.552 56.400 -0.374 0.000 0.821 78 E CB 0.068 29.566 29.700 -0.336 0.000 0.750 78 E HN 0.757 nan 8.360 nan 0.000 0.477 79 N N 0.192 118.821 118.700 -0.118 0.000 2.279 79 N HA 0.082 4.865 4.740 0.072 0.000 0.226 79 N C -0.538 174.984 175.510 0.020 0.000 1.126 79 N CA -0.037 52.999 53.050 -0.022 0.000 0.846 79 N CB 0.307 38.796 38.487 0.005 0.000 1.050 79 N HN -0.090 nan 8.380 nan 0.000 0.502 80 A N 0.835 123.638 122.820 -0.028 0.000 2.454 80 A HA 0.420 4.783 4.320 0.072 0.000 0.260 80 A C 0.032 177.648 177.584 0.054 0.000 1.106 80 A CA -0.082 51.967 52.037 0.020 0.000 0.780 80 A CB 0.302 19.270 19.000 -0.054 0.000 1.044 80 A HN 0.366 nan 8.150 nan 0.000 0.498 81 K N 1.446 121.891 120.400 0.076 0.000 2.482 81 K HA 0.410 4.773 4.320 0.072 0.000 0.257 81 K C -1.335 175.289 176.600 0.040 0.000 0.969 81 K CA -0.533 55.804 56.287 0.083 0.000 0.842 81 K CB 1.634 34.222 32.500 0.146 0.000 1.359 81 K HN 0.741 nan 8.250 nan 0.000 0.441 82 W N 0.551 121.940 121.300 0.148 0.000 2.141 82 W HA 0.032 4.737 4.660 0.075 0.000 0.354 82 W C 1.682 178.267 176.519 0.110 0.000 1.297 82 W CA -0.076 57.349 57.345 0.133 0.000 1.380 82 W CB 0.730 30.260 29.460 0.117 0.000 1.168 82 W HN 0.744 nan 8.180 nan 0.000 0.639 83 S N -0.525 115.402 115.700 0.378 0.000 2.474 83 S HA -0.226 4.287 4.470 0.072 0.000 0.235 83 S C 0.932 175.644 174.600 0.187 0.000 0.997 83 S CA 1.431 59.763 58.200 0.220 0.000 0.949 83 S CB -0.482 62.820 63.200 0.171 0.000 0.766 83 S HN 0.619 nan 8.310 nan 0.000 0.517 84 D N 0.106 120.634 120.400 0.214 0.000 2.340 84 D HA 0.291 4.975 4.640 0.072 0.000 0.220 84 D C 1.426 177.815 176.300 0.150 0.000 1.039 84 D CA 0.548 54.638 54.000 0.150 0.000 0.866 84 D CB -0.523 40.347 40.800 0.117 0.000 0.913 84 D HN 0.519 nan 8.370 nan 0.000 0.523 85 G N 0.190 109.102 108.800 0.186 0.000 2.241 85 G HA2 -0.280 3.723 3.960 0.072 0.000 0.244 85 G HA3 -0.280 3.723 3.960 0.072 0.000 0.244 85 G C 0.575 175.586 174.900 0.185 0.000 0.998 85 G CA 0.400 45.597 45.100 0.161 0.000 0.621 85 G HN 0.804 nan 8.290 nan 0.000 0.519 86 T N 0.341 115.034 114.554 0.231 0.000 2.899 86 T HA 0.575 4.968 4.350 0.072 0.000 0.295 86 T C -2.241 172.665 174.700 0.344 0.000 1.033 86 T CA -1.097 61.152 62.100 0.247 0.000 1.084 86 T CB 1.881 70.871 68.868 0.203 0.000 0.979 86 T HN 0.118 nan 8.240 nan 0.000 0.532 87 P HA 0.252 nan 4.420 nan 0.000 0.271 87 P C -0.654 176.827 177.300 0.302 0.000 1.218 87 P CA -0.541 62.711 63.100 0.252 0.000 0.780 87 P CB 0.430 32.267 31.700 0.229 0.000 0.901 88 V N 3.213 123.201 119.914 0.123 0.000 2.461 88 V HA 0.347 4.511 4.120 0.072 0.000 0.275 88 V C 0.856 177.064 176.094 0.190 0.000 1.047 88 V CA 0.151 62.475 62.300 0.039 0.000 0.955 88 V CB 0.584 32.272 31.823 -0.226 0.000 0.988 88 V HN 0.725 nan 8.190 nan 0.000 0.471 89 T N 1.800 116.500 114.554 0.244 0.000 2.910 89 T HA 0.685 5.078 4.350 0.072 0.000 0.287 89 T C 1.095 175.889 174.700 0.156 0.000 1.050 89 T CA -0.067 62.135 62.100 0.170 0.000 1.011 89 T CB 1.980 70.950 68.868 0.170 0.000 1.195 89 T HN 0.588 nan 8.240 nan 0.000 0.540 90 A N -0.015 122.794 122.820 -0.018 0.000 1.972 90 A HA -0.082 4.281 4.320 0.072 0.000 0.219 90 A C 2.121 179.676 177.584 -0.048 0.000 1.169 90 A CA 1.291 53.304 52.037 -0.040 0.000 0.635 90 A CB -1.328 17.640 19.000 -0.053 0.000 0.810 90 A HN 0.957 nan 8.150 nan 0.000 0.446 91 H N 0.455 119.614 119.070 0.148 0.000 2.422 91 H HA -0.115 4.484 4.556 0.072 0.000 0.298 91 H C 1.362 176.775 175.328 0.140 0.000 1.098 91 H CA 1.468 57.599 56.048 0.138 0.000 1.315 91 H CB -0.307 29.508 29.762 0.089 0.000 1.382 91 H HN 0.505 nan 8.280 nan 0.000 0.523 92 D N 0.517 121.050 120.400 0.221 0.000 2.104 92 D HA -0.132 4.551 4.640 0.072 0.000 0.194 92 D C 2.066 178.363 176.300 -0.005 0.000 0.994 92 D CA 0.903 54.996 54.000 0.156 0.000 0.830 92 D CB -0.466 40.456 40.800 0.202 0.000 0.959 92 D HN 0.279 nan 8.370 nan 0.000 0.452 93 F N 0.862 120.694 119.950 -0.196 0.000 2.186 93 F HA -0.136 4.434 4.527 0.071 0.000 0.299 93 F C 2.531 178.094 175.800 -0.394 0.000 1.090 93 F CA 0.366 58.005 58.000 -0.602 0.000 1.307 93 F CB -0.584 37.406 39.000 -1.683 0.000 1.019 93 F HN -0.190 nan 8.300 nan 0.000 0.489 94 V N -0.477 119.499 119.914 0.105 0.000 2.255 94 V HA -0.360 3.804 4.120 0.072 0.000 0.247 94 V C 2.109 178.363 176.094 0.267 0.000 1.051 94 V CA 2.259 64.746 62.300 0.311 0.000 1.018 94 V CB -0.950 31.071 31.823 0.329 0.000 0.641 94 V HN 0.432 nan 8.190 nan 0.000 0.445 95 Y N 1.277 121.659 120.300 0.136 0.000 2.165 95 Y HA -0.255 4.338 4.550 0.071 0.000 0.286 95 Y C 2.700 178.687 175.900 0.144 0.000 1.155 95 Y CA 1.975 60.141 58.100 0.110 0.000 1.164 95 Y CB -0.446 38.049 38.460 0.058 0.000 0.978 95 Y HN 0.217 nan 8.280 nan 0.000 0.513 96 S N -0.310 115.466 115.700 0.127 0.000 2.348 96 S HA -0.206 4.307 4.470 0.072 0.000 0.221 96 S C 1.512 176.274 174.600 0.271 0.000 1.033 96 S CA 1.547 59.843 58.200 0.160 0.000 1.010 96 S CB -0.719 62.619 63.200 0.231 0.000 0.891 96 S HN 0.663 nan 8.310 nan 0.000 0.442 97 W N 2.238 123.575 121.300 0.061 0.000 2.402 97 W HA 0.040 4.741 4.660 0.069 0.000 0.286 97 W C 2.413 178.914 176.519 -0.031 0.000 1.221 97 W CA -0.010 57.379 57.345 0.074 0.000 1.257 97 W CB -1.107 28.497 29.460 0.241 0.000 1.120 97 W HN 0.432 nan 8.180 nan 0.000 0.551 98 Q N -0.171 119.726 119.800 0.163 0.000 2.079 98 Q HA -0.176 4.207 4.340 0.072 0.000 0.200 98 Q C 2.289 178.209 176.000 -0.133 0.000 0.974 98 Q CA 1.605 57.425 55.803 0.028 0.000 0.840 98 Q CB -0.440 28.314 28.738 0.027 0.000 0.898 98 Q HN 0.244 nan 8.270 nan 0.000 0.430 99 R N 0.548 120.862 120.500 -0.311 0.000 2.081 99 R HA -0.175 4.208 4.340 0.072 0.000 0.235 99 R C 2.212 178.222 176.300 -0.484 0.000 1.131 99 R CA 1.001 56.857 56.100 -0.406 0.000 0.960 99 R CB -0.247 29.747 30.300 -0.511 0.000 0.856 99 R HN 0.220 nan 8.270 nan 0.000 0.436 100 L N 0.612 121.424 121.223 -0.685 0.000 2.042 100 L HA -0.089 4.294 4.340 0.072 0.000 0.210 100 L C 2.171 178.883 176.870 -0.263 0.000 1.076 100 L CA 2.260 56.732 54.840 -0.614 0.000 0.749 100 L CB -0.732 41.065 42.059 -0.437 0.000 0.893 100 L HN 0.241 nan 8.230 nan 0.000 0.432 101 A N -1.336 121.389 122.820 -0.158 0.000 1.968 101 A HA -0.137 4.226 4.320 0.072 0.000 0.217 101 A C 1.079 178.617 177.584 -0.077 0.000 1.169 101 A CA 0.803 52.790 52.037 -0.083 0.000 0.638 101 A CB -0.800 18.187 19.000 -0.021 0.000 0.812 101 A HN 0.529 nan 8.150 nan 0.000 0.446 102 D N 0.012 120.356 120.400 -0.093 0.000 2.434 102 D HA 0.112 4.795 4.640 0.072 0.000 0.252 102 D C -1.594 174.670 176.300 -0.059 0.000 1.185 102 D CA -1.840 52.120 54.000 -0.065 0.000 0.886 102 D CB 1.073 41.829 40.800 -0.074 0.000 1.148 102 D HN 0.052 nan 8.370 nan 0.000 0.483 103 P HA -0.111 nan 4.420 nan 0.000 0.219 103 P C 0.784 178.067 177.300 -0.028 0.000 1.146 103 P CA 0.717 63.797 63.100 -0.034 0.000 0.808 103 P CB 0.313 31.999 31.700 -0.024 0.000 0.779 104 N N -1.018 117.669 118.700 -0.022 0.000 2.309 104 N HA -0.065 4.718 4.740 0.072 0.000 0.182 104 N C 1.434 176.938 175.510 -0.010 0.000 1.018 104 N CA 1.272 54.315 53.050 -0.011 0.000 0.876 104 N CB -1.022 37.463 38.487 -0.003 0.000 0.972 104 N HN 0.185 nan 8.380 nan 0.000 0.434 105 T N 0.481 115.019 114.554 -0.027 0.000 2.995 105 T HA 0.119 4.512 4.350 0.072 0.000 0.269 105 T C 1.027 175.720 174.700 -0.013 0.000 1.091 105 T CA 0.785 62.876 62.100 -0.017 0.000 1.128 105 T CB -0.220 68.612 68.868 -0.061 0.000 0.891 105 T HN 0.370 nan 8.240 nan 0.000 0.492 106 A N 1.688 124.489 122.820 -0.032 0.000 2.687 106 A HA -0.146 4.217 4.320 0.072 0.000 0.299 106 A C 0.897 178.454 177.584 -0.046 0.000 1.497 106 A CA 0.647 52.659 52.037 -0.043 0.000 0.751 106 A CB -2.223 16.755 19.000 -0.036 0.000 1.048 106 A HN 0.516 nan 8.150 nan 0.000 0.464 107 S N 0.257 115.932 115.700 -0.042 0.000 2.564 107 S HA 0.502 5.015 4.470 0.072 0.000 0.278 107 S C -0.188 174.391 174.600 -0.034 0.000 1.333 107 S CA -0.702 57.493 58.200 -0.007 0.000 1.048 107 S CB 0.673 63.876 63.200 0.005 0.000 0.900 107 S HN 0.425 nan 8.310 nan 0.000 0.505 108 P HA -0.020 nan 4.420 nan 0.000 0.226 108 P C 0.083 177.345 177.300 -0.063 0.000 1.153 108 P CA 1.033 64.075 63.100 -0.098 0.000 0.777 108 P CB -0.049 31.625 31.700 -0.043 0.000 0.794 109 Y N -0.759 119.539 120.300 -0.004 0.000 2.658 109 Y HA 0.437 5.030 4.550 0.073 0.000 0.276 109 Y C 2.237 178.098 175.900 -0.065 0.000 1.167 109 Y CA -0.211 57.889 58.100 0.001 0.000 1.230 109 Y CB -0.258 38.220 38.460 0.029 0.000 1.144 109 Y HN -0.079 nan 8.280 nan 0.000 0.529 110 A N -0.630 122.194 122.820 0.007 0.000 1.986 110 A HA -0.220 4.143 4.320 0.072 0.000 0.220 110 A C 2.274 179.789 177.584 -0.116 0.000 1.171 110 A CA 2.275 54.277 52.037 -0.058 0.000 0.640 110 A CB -0.640 18.314 19.000 -0.077 0.000 0.811 110 A HN 0.338 nan 8.150 nan 0.000 0.451 111 S N -1.937 113.648 115.700 -0.192 0.000 2.555 111 S HA -0.055 4.458 4.470 0.072 0.000 0.230 111 S C 1.439 175.566 174.600 -0.789 0.000 0.978 111 S CA 0.560 58.521 58.200 -0.399 0.000 0.934 111 S CB -0.503 62.477 63.200 -0.365 0.000 0.766 111 S HN 0.646 nan 8.310 nan 0.000 0.533 112 Y N 2.189 122.129 120.300 -0.600 0.000 2.256 112 Y HA -0.074 4.518 4.550 0.070 0.000 0.288 112 Y C 1.639 177.314 175.900 -0.375 0.000 1.155 112 Y CA 1.084 58.889 58.100 -0.492 0.000 1.203 112 Y CB -0.283 38.108 38.460 -0.114 0.000 0.980 112 Y HN 0.235 nan 8.280 nan 0.000 0.530 113 L N -0.816 120.259 121.223 -0.246 0.000 2.313 113 L HA -0.167 4.217 4.340 0.072 0.000 0.214 113 L C 2.202 178.945 176.870 -0.212 0.000 1.119 113 L CA 0.844 55.565 54.840 -0.199 0.000 0.809 113 L CB -0.438 41.557 42.059 -0.107 0.000 0.933 113 L HN 0.206 nan 8.230 nan 0.000 0.449 114 Q N -0.877 118.758 119.800 -0.275 0.000 2.123 114 Q HA -0.162 4.221 4.340 0.072 0.000 0.199 114 Q C 2.096 177.862 176.000 -0.389 0.000 0.966 114 Q CA 1.323 56.972 55.803 -0.257 0.000 0.845 114 Q CB -0.081 28.569 28.738 -0.147 0.000 0.907 114 Q HN 0.432 nan 8.270 nan 0.000 0.439 115 Y N -0.240 119.864 120.300 -0.327 0.000 2.224 115 Y HA -0.060 4.532 4.550 0.071 0.000 0.289 115 Y C 2.370 178.044 175.900 -0.377 0.000 1.146 115 Y CA 1.081 58.992 58.100 -0.315 0.000 1.182 115 Y CB -1.042 37.302 38.460 -0.192 0.000 0.983 115 Y HN 0.126 nan 8.280 nan 0.000 0.524 116 G N -2.354 106.322 108.800 -0.207 0.000 2.985 116 G HA2 -0.044 3.959 3.960 0.072 0.000 0.209 116 G HA3 -0.044 3.959 3.960 0.072 0.000 0.209 116 G C -0.279 174.616 174.900 -0.009 0.000 1.165 116 G CA 0.301 45.412 45.100 0.018 0.000 0.776 116 G HN 0.661 nan 8.290 nan 0.000 0.541 117 H N -1.708 117.370 119.070 0.013 0.000 2.862 117 H HA -0.141 4.458 4.556 0.071 0.000 0.290 117 H C 0.176 175.487 175.328 -0.029 0.000 1.211 117 H CA -0.001 56.044 56.048 -0.005 0.000 1.140 117 H CB -2.089 27.665 29.762 -0.012 0.000 1.341 117 H HN 0.321 nan 8.280 nan 0.000 0.392 118 I N 0.822 121.408 120.570 0.027 0.000 2.775 118 I HA 0.066 4.279 4.170 0.072 0.000 0.290 118 I C 1.310 177.465 176.117 0.064 0.000 1.203 118 I CA 1.065 62.399 61.300 0.057 0.000 1.433 118 I CB 0.303 38.390 38.000 0.145 0.000 1.354 118 I HN 0.474 nan 8.210 nan 0.000 0.579 119 A N 5.731 128.585 122.820 0.057 0.000 2.561 119 A HA 0.092 4.455 4.320 0.072 0.000 0.234 119 A C 1.158 178.774 177.584 0.053 0.000 1.055 119 A CA 0.137 52.205 52.037 0.052 0.000 0.756 119 A CB -0.295 18.727 19.000 0.038 0.000 0.986 119 A HN 0.916 nan 8.150 nan 0.000 0.505 120 N N -0.553 118.174 118.700 0.046 0.000 2.900 120 N HA -0.240 4.543 4.740 0.072 0.000 0.240 120 N C 0.644 176.176 175.510 0.036 0.000 0.953 120 N CA 1.266 54.340 53.050 0.040 0.000 0.950 120 N CB -1.487 37.023 38.487 0.038 0.000 1.102 120 N HN 0.818 nan 8.380 nan 0.000 0.593 121 I N 1.866 122.457 120.570 0.036 0.000 2.163 121 I HA -0.216 3.997 4.170 0.072 0.000 0.243 121 I C 1.729 177.851 176.117 0.008 0.000 1.085 121 I CA 1.954 63.264 61.300 0.018 0.000 1.347 121 I CB -0.186 37.813 38.000 -0.001 0.000 1.044 121 I HN 0.061 nan 8.210 nan 0.000 0.408 122 D N 0.626 121.036 120.400 0.017 0.000 2.104 122 D HA -0.195 4.488 4.640 0.072 0.000 0.194 122 D C 1.887 178.194 176.300 0.013 0.000 0.994 122 D CA 1.574 55.584 54.000 0.016 0.000 0.830 122 D CB -0.448 40.370 40.800 0.031 0.000 0.959 122 D HN 0.398 nan 8.370 nan 0.000 0.452 123 D N -0.037 120.374 120.400 0.017 0.000 2.144 123 D HA -0.066 4.617 4.640 0.072 0.000 0.199 123 D C 2.269 178.575 176.300 0.010 0.000 0.984 123 D CA 0.307 54.316 54.000 0.014 0.000 0.834 123 D CB -0.200 40.611 40.800 0.018 0.000 0.955 123 D HN 0.260 nan 8.370 nan 0.000 0.465 124 I N 0.502 121.079 120.570 0.011 0.000 2.179 124 I HA -0.230 3.983 4.170 0.072 0.000 0.242 124 I C 2.351 178.466 176.117 -0.004 0.000 1.088 124 I CA 0.752 62.056 61.300 0.006 0.000 1.357 124 I CB -0.093 37.913 38.000 0.011 0.000 1.051 124 I HN -0.036 nan 8.210 nan 0.000 0.409 125 I N 0.712 121.276 120.570 -0.010 0.000 2.226 125 I HA -0.270 3.943 4.170 0.072 0.000 0.245 125 I C 2.520 178.630 176.117 -0.012 0.000 1.100 125 I CA 1.321 62.609 61.300 -0.018 0.000 1.374 125 I CB -0.424 37.561 38.000 -0.026 0.000 1.057 125 I HN 0.177 nan 8.210 nan 0.000 0.413 126 A N 0.264 123.082 122.820 -0.004 0.000 2.239 126 A HA 0.173 4.536 4.320 0.072 0.000 0.209 126 A C 1.922 179.506 177.584 -0.000 0.000 1.171 126 A CA 0.953 52.990 52.037 -0.001 0.000 0.768 126 A CB -0.808 18.194 19.000 0.004 0.000 0.790 126 A HN 0.627 nan 8.150 nan 0.000 0.478 127 G N -0.734 108.065 108.800 -0.001 0.000 2.159 127 G HA2 -0.313 3.690 3.960 0.072 0.000 0.256 127 G HA3 -0.313 3.690 3.960 0.072 0.000 0.256 127 G C 0.922 175.824 174.900 0.004 0.000 0.977 127 G CA 0.827 45.927 45.100 0.001 0.000 0.652 127 G HN 0.575 nan 8.290 nan 0.000 0.531 128 K N -0.279 120.124 120.400 0.006 0.000 2.186 128 K HA 0.119 4.483 4.320 0.072 0.000 0.202 128 K C 0.999 177.606 176.600 0.010 0.000 1.052 128 K CA 0.832 57.124 56.287 0.008 0.000 0.965 128 K CB 0.151 32.657 32.500 0.009 0.000 0.746 128 K HN 0.357 nan 8.250 nan 0.000 0.457 129 K N 1.187 121.594 120.400 0.012 0.000 2.375 129 K HA 0.314 4.677 4.320 0.072 0.000 0.249 129 K C -2.745 173.864 176.600 0.015 0.000 0.942 129 K CA -2.323 53.973 56.287 0.015 0.000 0.806 129 K CB 1.834 34.345 32.500 0.019 0.000 1.227 129 K HN -0.175 nan 8.250 nan 0.000 0.430 130 P HA -0.005 nan 4.420 nan 0.000 0.272 130 P C 0.008 177.322 177.300 0.023 0.000 1.230 130 P CA -0.074 63.037 63.100 0.019 0.000 0.788 130 P CB 0.794 32.507 31.700 0.022 0.000 0.949 131 A N 1.860 124.692 122.820 0.020 0.000 2.070 131 A HA -0.128 4.235 4.320 0.072 0.000 0.220 131 A C 1.855 179.467 177.584 0.047 0.000 1.159 131 A CA 2.041 54.092 52.037 0.024 0.000 0.656 131 A CB -1.848 17.152 19.000 0.001 0.000 0.800 131 A HN 0.683 nan 8.150 nan 0.000 0.453 132 T N -2.609 111.974 114.554 0.049 0.000 3.051 132 T HA -0.081 4.312 4.350 0.072 0.000 0.269 132 T C 0.842 175.579 174.700 0.061 0.000 1.127 132 T CA 1.384 63.522 62.100 0.064 0.000 1.107 132 T CB -0.335 68.569 68.868 0.059 0.000 0.898 132 T HN 0.341 nan 8.240 nan 0.000 0.517 133 D N 0.429 120.860 120.400 0.050 0.000 2.355 133 D HA 0.215 4.898 4.640 0.072 0.000 0.218 133 D C 0.527 176.861 176.300 0.057 0.000 1.004 133 D CA -0.199 53.830 54.000 0.047 0.000 0.880 133 D CB -0.332 40.490 40.800 0.037 0.000 0.911 133 D HN 0.331 nan 8.370 nan 0.000 0.528 134 L N 0.636 121.903 121.223 0.073 0.000 2.543 134 L HA 0.176 4.559 4.340 0.072 0.000 0.285 134 L C 1.208 178.135 176.870 0.094 0.000 1.236 134 L CA 0.289 55.186 54.840 0.095 0.000 0.871 134 L CB 0.644 42.784 42.059 0.135 0.000 1.121 134 L HN 0.042 nan 8.230 nan 0.000 0.501 135 G N 5.370 114.223 108.800 0.089 0.000 3.284 135 G HA2 0.425 4.428 3.960 0.072 0.000 0.251 135 G HA3 0.425 4.428 3.960 0.072 0.000 0.251 135 G C -0.528 174.392 174.900 0.035 0.000 0.913 135 G CA 0.381 45.514 45.100 0.056 0.000 1.947 135 G HN 0.799 nan 8.290 nan 0.000 0.635 136 V N -1.763 118.166 119.914 0.025 0.000 2.789 136 V HA 0.948 5.111 4.120 0.072 0.000 0.311 136 V C -0.737 175.319 176.094 -0.063 0.000 1.073 136 V CA -1.424 60.814 62.300 -0.103 0.000 0.921 136 V CB 1.995 33.818 31.823 -0.000 0.000 1.009 136 V HN 0.539 nan 8.190 nan 0.000 0.426 137 K N 2.882 123.179 120.400 -0.172 0.000 2.546 137 K HA 0.882 5.246 4.320 0.072 0.000 0.264 137 K C -0.972 175.626 176.600 -0.004 0.000 0.937 137 K CA -0.499 55.778 56.287 -0.017 0.000 0.833 137 K CB 2.486 34.983 32.500 -0.005 0.000 1.378 137 K HN 1.322 nan 8.250 nan 0.000 0.432 138 A N 3.532 126.401 122.820 0.082 0.000 2.279 138 A HA 0.336 4.699 4.320 0.072 0.000 0.306 138 A C 0.789 178.379 177.584 0.011 0.000 1.300 138 A CA -0.892 51.148 52.037 0.006 0.000 0.925 138 A CB -0.221 18.609 19.000 -0.285 0.000 1.152 138 A HN 0.808 nan 8.150 nan 0.000 0.544 139 L N 1.021 122.245 121.223 0.001 0.000 2.217 139 L HA 0.043 4.426 4.340 0.072 0.000 0.211 139 L C 0.632 177.523 176.870 0.035 0.000 1.107 139 L CA 1.216 56.068 54.840 0.019 0.000 0.783 139 L CB -0.455 41.611 42.059 0.011 0.000 0.919 139 L HN 0.948 nan 8.230 nan 0.000 0.442 140 D N -4.702 115.700 120.400 0.004 0.000 2.779 140 D HA 0.034 4.718 4.640 0.072 0.000 0.331 140 D C -0.012 176.214 176.300 -0.122 0.000 1.331 140 D CA -0.609 53.395 54.000 0.006 0.000 0.866 140 D CB 0.230 41.052 40.800 0.037 0.000 1.409 140 D HN -0.335 nan 8.370 nan 0.000 0.486 141 D N -1.373 118.932 120.400 -0.158 0.000 2.221 141 D HA -0.106 4.577 4.640 0.072 0.000 0.204 141 D C 0.534 176.518 176.300 -0.526 0.000 0.982 141 D CA 1.282 55.061 54.000 -0.368 0.000 0.857 141 D CB -0.075 40.442 40.800 -0.471 0.000 0.934 141 D HN 0.395 nan 8.370 nan 0.000 0.475 142 H N -1.180 117.912 119.070 0.037 0.000 2.486 142 H HA 0.319 4.919 4.556 0.072 0.000 0.284 142 H C -0.208 175.154 175.328 0.057 0.000 1.103 142 H CA 0.102 56.176 56.048 0.044 0.000 1.089 142 H CB 0.335 30.131 29.762 0.056 0.000 1.603 142 H HN -0.131 nan 8.280 nan 0.000 0.557 143 T N 1.177 115.779 114.554 0.079 0.000 3.031 143 T HA 0.231 4.624 4.350 0.072 0.000 0.305 143 T C -1.026 173.723 174.700 0.082 0.000 0.985 143 T CA -0.524 61.619 62.100 0.072 0.000 1.008 143 T CB 1.284 70.194 68.868 0.071 0.000 1.005 143 T HN 0.142 nan 8.240 nan 0.000 0.444 144 F N 2.819 122.725 119.950 -0.073 0.000 2.426 144 F HA 0.577 5.147 4.527 0.071 0.000 0.348 144 F C 0.116 175.943 175.800 0.045 0.000 1.124 144 F CA -0.619 57.336 58.000 -0.075 0.000 1.008 144 F CB 0.904 39.775 39.000 -0.216 0.000 1.139 144 F HN 0.472 nan 8.300 nan 0.000 0.452 145 E N 5.870 125.814 120.200 -0.426 0.000 2.176 145 E HA 0.505 4.898 4.350 0.072 0.000 0.267 145 E C -1.812 174.549 176.600 -0.398 0.000 0.893 145 E CA -0.751 55.480 56.400 -0.282 0.000 0.761 145 E CB 2.012 31.616 29.700 -0.162 0.000 1.133 145 E HN 0.500 nan 8.360 nan 0.000 0.409 146 V N 3.556 123.386 119.914 -0.140 0.000 2.459 146 V HA 0.358 4.522 4.120 0.072 0.000 0.295 146 V C -0.206 175.902 176.094 0.023 0.000 1.029 146 V CA -0.629 61.633 62.300 -0.064 0.000 0.874 146 V CB 1.924 33.872 31.823 0.208 0.000 0.985 146 V HN 0.716 nan 8.190 nan 0.000 0.438 147 T N 6.507 121.057 114.554 -0.008 0.000 2.772 147 T HA 0.600 4.994 4.350 0.072 0.000 0.288 147 T C -0.227 174.470 174.700 -0.004 0.000 0.994 147 T CA -0.276 61.825 62.100 0.002 0.000 0.951 147 T CB 0.603 69.466 68.868 -0.008 0.000 0.933 147 T HN 0.343 nan 8.240 nan 0.000 0.447 148 L N 2.198 123.414 121.223 -0.012 0.000 2.399 148 L HA 0.390 4.774 4.340 0.072 0.000 0.265 148 L C 1.690 178.572 176.870 0.020 0.000 1.089 148 L CA -0.754 54.074 54.840 -0.020 0.000 0.802 148 L CB 1.154 43.175 42.059 -0.064 0.000 1.180 148 L HN 0.715 nan 8.230 nan 0.000 0.454 149 S N -0.589 115.139 115.700 0.047 0.000 2.527 149 S HA 0.030 4.543 4.470 0.072 0.000 0.222 149 S C 0.235 174.836 174.600 0.001 0.000 0.985 149 S CA -0.077 58.143 58.200 0.033 0.000 0.921 149 S CB -0.350 62.883 63.200 0.055 0.000 0.772 149 S HN 0.785 nan 8.310 nan 0.000 0.529 150 E N -0.470 119.721 120.200 -0.015 0.000 2.407 150 E HA 0.456 4.849 4.350 0.072 0.000 0.279 150 E C -3.575 173.026 176.600 0.001 0.000 1.012 150 E CA -2.784 53.593 56.400 -0.038 0.000 0.800 150 E CB 0.364 29.993 29.700 -0.117 0.000 1.276 150 E HN -0.073 nan 8.360 nan 0.000 0.452 151 P HA 0.075 nan 4.420 nan 0.000 0.267 151 P C -0.697 176.648 177.300 0.076 0.000 1.205 151 P CA -0.223 62.967 63.100 0.150 0.000 0.765 151 P CB 0.563 32.385 31.700 0.203 0.000 0.828 152 V N 6.813 126.814 119.914 0.146 0.000 2.380 152 V HA 0.161 4.324 4.120 0.072 0.000 0.272 152 V C -1.676 174.386 176.094 -0.053 0.000 1.011 152 V CA -1.267 60.959 62.300 -0.122 0.000 0.826 152 V CB 1.555 33.268 31.823 -0.183 0.000 1.040 152 V HN 0.411 nan 8.190 nan 0.000 0.441 153 P HA -0.146 nan 4.420 nan 0.000 0.216 153 P C 1.056 178.425 177.300 0.115 0.000 1.150 153 P CA 1.422 64.294 63.100 -0.381 0.000 0.837 153 P CB 0.002 31.333 31.700 -0.616 0.000 0.786 154 Y N -4.387 115.953 120.300 0.067 0.000 2.470 154 Y HA 0.303 4.896 4.550 0.071 0.000 0.284 154 Y C 1.763 177.481 175.900 -0.303 0.000 1.188 154 Y CA -0.923 57.118 58.100 -0.099 0.000 1.269 154 Y CB -1.441 36.978 38.460 -0.068 0.000 1.094 154 Y HN -0.188 nan 8.280 nan 0.000 0.518 155 F N 2.546 122.171 119.950 -0.542 0.000 2.087 155 F HA -0.312 4.260 4.527 0.075 0.000 0.299 155 F C 2.405 177.820 175.800 -0.641 0.000 1.100 155 F CA 1.870 59.462 58.000 -0.681 0.000 1.226 155 F CB -0.924 37.514 39.000 -0.936 0.000 0.983 155 F HN 0.328 nan 8.300 nan 0.000 0.479 156 Y N 0.026 119.899 120.300 -0.713 0.000 2.384 156 Y HA -0.117 4.474 4.550 0.067 0.000 0.289 156 Y C 1.950 177.648 175.900 -0.336 0.000 1.152 156 Y CA 1.390 59.168 58.100 -0.538 0.000 1.258 156 Y CB -1.419 36.929 38.460 -0.186 0.000 0.979 156 Y HN 0.062 nan 8.280 nan 0.000 0.549 157 K N 0.171 120.007 120.400 -0.940 0.000 2.211 157 K HA -0.068 4.295 4.320 0.072 0.000 0.203 157 K C 1.642 178.072 176.600 -0.284 0.000 1.050 157 K CA 1.212 57.209 56.287 -0.483 0.000 0.945 157 K CB -0.209 32.090 32.500 -0.335 0.000 0.732 157 K HN 0.282 nan 8.250 nan 0.000 0.451 158 L N 0.813 121.722 121.223 -0.524 0.000 2.201 158 L HA -0.106 4.277 4.340 0.072 0.000 0.212 158 L C 1.738 178.555 176.870 -0.088 0.000 1.105 158 L CA 1.323 55.915 54.840 -0.413 0.000 0.775 158 L CB -0.293 41.286 42.059 -0.799 0.000 0.913 158 L HN 0.140 nan 8.230 nan 0.000 0.440 159 L N -0.855 120.226 121.223 -0.237 0.000 2.551 159 L HA -0.068 4.315 4.340 0.072 0.000 0.228 159 L C 2.045 178.927 176.870 0.019 0.000 1.153 159 L CA 0.292 55.053 54.840 -0.131 0.000 0.851 159 L CB -0.711 41.178 42.059 -0.283 0.000 0.959 159 L HN 0.259 nan 8.230 nan 0.000 0.451 160 V N -4.652 115.308 119.914 0.076 0.000 3.461 160 V HA -0.011 4.152 4.120 0.072 0.000 0.267 160 V C 1.319 177.481 176.094 0.114 0.000 1.186 160 V CA 0.135 62.516 62.300 0.135 0.000 1.154 160 V CB -0.973 30.956 31.823 0.176 0.000 0.802 160 V HN 0.343 nan 8.190 nan 0.000 0.474 161 H N 1.559 120.605 119.070 -0.039 0.000 2.652 161 H HA 0.220 4.818 4.556 0.070 0.000 0.349 161 H C -1.794 173.391 175.328 -0.240 0.000 1.099 161 H CA -1.267 54.650 56.048 -0.219 0.000 1.417 161 H CB 2.100 31.570 29.762 -0.486 0.000 1.457 161 H HN 0.105 nan 8.280 nan 0.000 0.568 162 P HA -0.173 nan 4.420 nan 0.000 0.218 162 P C 1.593 178.703 177.300 -0.317 0.000 1.149 162 P CA 1.798 64.638 63.100 -0.432 0.000 0.817 162 P CB 0.141 31.537 31.700 -0.507 0.000 0.785 163 S N -0.652 114.812 115.700 -0.394 0.000 2.419 163 S HA -0.116 4.397 4.470 0.072 0.000 0.235 163 S C 1.559 176.122 174.600 -0.062 0.000 1.019 163 S CA 1.572 59.676 58.200 -0.160 0.000 0.982 163 S CB -1.610 61.455 63.200 -0.226 0.000 0.789 163 S HN 0.138 nan 8.310 nan 0.000 0.490 164 V N -0.946 118.915 119.914 -0.089 0.000 3.342 164 V HA 0.429 4.592 4.120 0.072 0.000 0.322 164 V C 0.434 176.736 176.094 0.347 0.000 1.370 164 V CA -0.611 61.669 62.300 -0.034 0.000 1.170 164 V CB -0.727 30.928 31.823 -0.280 0.000 1.101 164 V HN 0.281 nan 8.190 nan 0.000 0.442 165 S N 3.244 119.039 115.700 0.158 0.000 2.603 165 S HA 0.460 4.973 4.470 0.072 0.000 0.268 165 S C -2.216 172.384 174.600 -0.001 0.000 1.317 165 S CA -0.479 57.805 58.200 0.140 0.000 1.012 165 S CB 1.023 64.276 63.200 0.088 0.000 0.926 165 S HN 0.487 nan 8.310 nan 0.000 0.539 166 P HA 0.343 nan 4.420 nan 0.000 0.281 166 P C -0.945 176.405 177.300 0.083 0.000 1.249 166 P CA -0.469 62.482 63.100 -0.247 0.000 0.810 166 P CB 0.787 32.126 31.700 -0.601 0.000 1.008 167 V N -1.480 118.469 119.914 0.059 0.000 2.864 167 V HA 0.678 4.841 4.120 0.072 0.000 0.314 167 V C -2.651 173.351 176.094 -0.154 0.000 1.073 167 V CA -3.030 59.216 62.300 -0.090 0.000 0.956 167 V CB 1.766 33.331 31.823 -0.430 0.000 1.023 167 V HN 0.355 nan 8.190 nan 0.000 0.435 168 P HA 0.281 nan 4.420 nan 0.000 0.283 168 P C 0.298 177.240 177.300 -0.597 0.000 1.412 168 P CA -0.305 62.310 63.100 -0.808 0.000 0.912 168 P CB 1.370 32.477 31.700 -0.988 0.000 1.132 169 K N 3.299 123.360 120.400 -0.564 0.000 2.059 169 K HA -0.219 4.144 4.320 0.072 0.000 0.212 169 K C 1.905 178.210 176.600 -0.492 0.000 1.050 169 K CA 2.461 58.298 56.287 -0.750 0.000 0.927 169 K CB -0.277 31.532 32.500 -1.151 0.000 0.714 169 K HN 0.420 nan 8.250 nan 0.000 0.447 170 S N 0.024 115.483 115.700 -0.403 0.000 2.368 170 S HA -0.135 4.378 4.470 0.072 0.000 0.225 170 S C 2.155 176.625 174.600 -0.215 0.000 1.030 170 S CA 1.123 59.156 58.200 -0.279 0.000 0.999 170 S CB -0.378 62.688 63.200 -0.223 0.000 0.844 170 S HN 0.427 nan 8.310 nan 0.000 0.459 171 A N 1.250 123.970 122.820 -0.166 0.000 1.929 171 A HA 0.169 4.533 4.320 0.072 0.000 0.216 171 A C 2.425 180.051 177.584 0.070 0.000 1.176 171 A CA 1.353 53.455 52.037 0.109 0.000 0.628 171 A CB -1.028 18.111 19.000 0.233 0.000 0.816 171 A HN 0.462 nan 8.150 nan 0.000 0.444 172 V N 0.119 119.848 119.914 -0.309 0.000 2.261 172 V HA -0.289 3.874 4.120 0.072 0.000 0.246 172 V C 2.434 178.460 176.094 -0.114 0.000 1.047 172 V CA 2.413 64.483 62.300 -0.383 0.000 1.015 172 V CB -0.835 30.668 31.823 -0.534 0.000 0.642 172 V HN 0.636 nan 8.190 nan 0.000 0.446 173 E N -0.310 119.794 120.200 -0.159 0.000 2.106 173 E HA -0.252 4.141 4.350 0.072 0.000 0.192 173 E C 2.262 178.768 176.600 -0.158 0.000 0.984 173 E CA 1.379 57.705 56.400 -0.124 0.000 0.806 173 E CB -0.085 29.525 29.700 -0.150 0.000 0.750 173 E HN 0.538 nan 8.360 nan 0.000 0.458 174 K N 0.082 120.311 120.400 -0.285 0.000 2.031 174 K HA -0.082 4.281 4.320 0.072 0.000 0.205 174 K C 1.137 177.430 176.600 -0.512 0.000 1.049 174 K CA 1.186 57.158 56.287 -0.525 0.000 0.939 174 K CB 0.055 31.987 32.500 -0.947 0.000 0.717 174 K HN 0.044 nan 8.250 nan 0.000 0.438 175 F N 0.453 120.447 119.950 0.073 0.000 2.695 175 F HA 0.329 4.899 4.527 0.072 0.000 0.303 175 F C 1.325 177.215 175.800 0.151 0.000 1.091 175 F CA -0.076 57.994 58.000 0.117 0.000 1.300 175 F CB 0.386 39.480 39.000 0.157 0.000 1.071 175 F HN 0.278 nan 8.300 nan 0.000 0.578 176 G N 2.081 111.033 108.800 0.254 0.000 2.594 176 G HA2 -0.465 3.538 3.960 0.072 0.000 0.297 176 G HA3 -0.465 3.538 3.960 0.072 0.000 0.297 176 G C 0.696 175.816 174.900 0.367 0.000 1.273 176 G CA 0.771 46.015 45.100 0.239 0.000 0.974 176 G HN 0.427 nan 8.290 nan 0.000 0.552 177 D N 0.227 120.782 120.400 0.258 0.000 2.351 177 D HA 0.005 4.688 4.640 0.072 0.000 0.216 177 D C 1.727 178.111 176.300 0.141 0.000 0.968 177 D CA 1.611 55.740 54.000 0.215 0.000 0.899 177 D CB -0.136 40.738 40.800 0.123 0.000 0.907 177 D HN 0.632 nan 8.370 nan 0.000 0.514 178 K N 0.245 120.752 120.400 0.177 0.000 2.387 178 K HA 0.099 4.462 4.320 0.072 0.000 0.198 178 K C 1.314 177.994 176.600 0.132 0.000 1.022 178 K CA -0.256 56.088 56.287 0.095 0.000 1.128 178 K CB -0.136 32.415 32.500 0.085 0.000 0.853 178 K HN 0.371 nan 8.250 nan 0.000 0.523 179 W N 1.230 122.619 121.300 0.149 0.000 2.421 179 W HA -0.154 4.549 4.660 0.071 0.000 0.270 179 W C 0.812 177.389 176.519 0.097 0.000 1.233 179 W CA 1.545 58.983 57.345 0.155 0.000 1.226 179 W CB -0.843 28.738 29.460 0.202 0.000 1.121 179 W HN -0.008 nan 8.180 nan 0.000 0.579 180 T N -1.094 113.180 114.554 -0.468 0.000 3.129 180 T HA 0.032 4.425 4.350 0.072 0.000 0.251 180 T C 0.887 175.551 174.700 -0.059 0.000 1.117 180 T CA -0.000 61.810 62.100 -0.483 0.000 1.034 180 T CB -0.093 68.414 68.868 -0.602 0.000 0.968 180 T HN -0.083 nan 8.240 nan 0.000 0.526 181 Q N 1.769 121.542 119.800 -0.044 0.000 2.454 181 Q HA 0.219 4.603 4.340 0.072 0.000 0.247 181 Q C -1.668 174.333 176.000 0.002 0.000 1.028 181 Q CA -2.131 53.672 55.803 -0.001 0.000 0.910 181 Q CB 0.958 29.651 28.738 -0.076 0.000 1.276 181 Q HN 0.121 nan 8.270 nan 0.000 0.489 182 P HA -0.125 nan 4.420 nan 0.000 0.218 182 P C 0.506 177.798 177.300 -0.014 0.000 1.148 182 P CA 1.815 64.932 63.100 0.030 0.000 0.822 182 P CB 0.219 31.950 31.700 0.052 0.000 0.784 183 A N -0.850 121.935 122.820 -0.059 0.000 2.067 183 A HA -0.085 4.278 4.320 0.072 0.000 0.217 183 A C 1.824 179.307 177.584 -0.168 0.000 1.156 183 A CA 1.282 53.266 52.037 -0.090 0.000 0.683 183 A CB -0.710 18.234 19.000 -0.094 0.000 0.808 183 A HN 0.145 nan 8.150 nan 0.000 0.455 184 N N -1.084 117.471 118.700 -0.241 0.000 2.332 184 N HA 0.186 4.969 4.740 0.072 0.000 0.190 184 N C 0.430 175.919 175.510 -0.035 0.000 1.117 184 N CA -0.163 52.654 53.050 -0.389 0.000 0.883 184 N CB 0.300 38.288 38.487 -0.833 0.000 1.089 184 N HN 0.506 nan 8.380 nan 0.000 0.480 185 I N 1.679 122.281 120.570 0.054 0.000 2.836 185 I HA 0.023 4.236 4.170 0.072 0.000 0.285 185 I C -0.637 175.613 176.117 0.221 0.000 1.174 185 I CA -0.033 61.400 61.300 0.222 0.000 1.405 185 I CB 0.786 38.860 38.000 0.123 0.000 1.385 185 I HN -0.312 nan 8.210 nan 0.000 0.594 186 V N 5.646 125.760 119.914 0.333 0.000 2.577 186 V HA 0.456 4.619 4.120 0.072 0.000 0.303 186 V C -0.195 176.160 176.094 0.434 0.000 1.042 186 V CA -0.412 62.045 62.300 0.263 0.000 0.872 186 V CB 2.026 33.899 31.823 0.085 0.000 0.998 186 V HN 0.893 nan 8.190 nan 0.000 0.423 187 T N 0.236 115.016 114.554 0.377 0.000 2.916 187 T HA 0.473 4.866 4.350 0.072 0.000 0.292 187 T C 0.129 175.018 174.700 0.316 0.000 1.055 187 T CA -0.694 61.555 62.100 0.249 0.000 1.009 187 T CB 2.039 70.760 68.868 -0.244 0.000 1.118 187 T HN 0.637 nan 8.240 nan 0.000 0.497 188 N N -0.353 118.389 118.700 0.071 0.000 2.170 188 N HA 0.218 5.001 4.740 0.072 0.000 0.222 188 N C 0.590 176.099 175.510 -0.001 0.000 1.218 188 N CA -0.372 52.621 53.050 -0.096 0.000 0.889 188 N CB 0.443 38.540 38.487 -0.649 0.000 1.083 188 N HN 0.813 nan 8.380 nan 0.000 0.520 189 G N 0.001 108.735 108.800 -0.110 0.000 2.531 189 G HA2 0.518 4.522 3.960 0.072 0.000 0.281 189 G HA3 0.518 4.522 3.960 0.072 0.000 0.281 189 G C 0.791 175.340 174.900 -0.586 0.000 1.382 189 G CA -0.032 44.924 45.100 -0.241 0.000 1.045 189 G HN 0.202 nan 8.290 nan 0.000 0.533 190 A N -1.765 120.496 122.820 -0.932 0.000 2.121 190 A HA 0.285 4.648 4.320 0.072 0.000 0.218 190 A C 0.387 177.451 177.584 -0.866 0.000 1.154 190 A CA 0.895 52.272 52.037 -1.100 0.000 0.679 190 A CB -0.363 18.064 19.000 -0.954 0.000 0.795 190 A HN 0.455 nan 8.150 nan 0.000 0.458 191 Y N -1.380 118.776 120.300 -0.239 0.000 2.630 191 Y HA 0.603 5.193 4.550 0.068 0.000 0.337 191 Y C 0.213 176.034 175.900 -0.131 0.000 1.051 191 Y CA -0.948 57.069 58.100 -0.138 0.000 1.121 191 Y CB 1.556 39.953 38.460 -0.105 0.000 1.299 191 Y HN -0.086 nan 8.280 nan 0.000 0.498 192 K N 0.909 121.351 120.400 0.071 0.000 2.443 192 K HA 0.482 4.846 4.320 0.072 0.000 0.251 192 K C -1.887 174.725 176.600 0.019 0.000 0.972 192 K CA -1.212 55.082 56.287 0.012 0.000 0.833 192 K CB 2.725 35.243 32.500 0.029 0.000 1.317 192 K HN 0.396 nan 8.250 nan 0.000 0.441 193 L N 2.536 123.751 121.223 -0.014 0.000 2.313 193 L HA 0.170 4.554 4.340 0.072 0.000 0.282 193 L C 1.008 177.893 176.870 0.024 0.000 1.092 193 L CA 0.674 55.506 54.840 -0.013 0.000 0.831 193 L CB 0.599 42.641 42.059 -0.029 0.000 1.159 193 L HN 0.671 nan 8.230 nan 0.000 0.442 194 K N 3.322 123.742 120.400 0.033 0.000 2.121 194 K HA 0.198 4.561 4.320 0.072 0.000 0.203 194 K C -0.131 176.502 176.600 0.054 0.000 1.041 194 K CA 0.397 56.709 56.287 0.042 0.000 0.969 194 K CB 0.405 32.930 32.500 0.042 0.000 0.799 194 K HN 0.742 nan 8.250 nan 0.000 0.456 195 N N -0.939 117.802 118.700 0.068 0.000 2.329 195 N HA 0.119 4.902 4.740 0.072 0.000 0.282 195 N C -1.993 173.631 175.510 0.189 0.000 1.198 195 N CA -0.504 52.608 53.050 0.104 0.000 0.790 195 N CB 1.670 40.205 38.487 0.079 0.000 1.579 195 N HN 0.072 nan 8.380 nan 0.000 0.475 196 W N 2.225 123.511 121.300 -0.023 0.000 2.740 196 W HA 0.429 5.134 4.660 0.075 0.000 0.316 196 W C -2.094 174.410 176.519 -0.024 0.000 1.020 196 W CA -0.630 56.699 57.345 -0.027 0.000 1.278 196 W CB 0.317 29.751 29.460 -0.043 0.000 1.224 196 W HN 0.115 nan 8.180 nan 0.000 0.393 197 V N 6.723 126.798 119.914 0.268 0.000 2.334 197 V HA 0.245 4.408 4.120 0.072 0.000 0.281 197 V C 0.319 176.482 176.094 0.116 0.000 1.016 197 V CA -1.037 61.313 62.300 0.085 0.000 0.832 197 V CB 1.118 32.979 31.823 0.064 0.000 0.999 197 V HN 0.196 nan 8.190 nan 0.000 0.439 198 V N 5.768 125.657 119.914 -0.043 0.000 2.509 198 V HA 0.021 4.184 4.120 0.072 0.000 0.297 198 V C 1.243 177.368 176.094 0.052 0.000 1.014 198 V CA 0.978 63.277 62.300 -0.002 0.000 1.127 198 V CB -0.714 31.020 31.823 -0.147 0.000 0.925 198 V HN 1.151 nan 8.190 nan 0.000 0.480 199 N N 2.280 121.040 118.700 0.101 0.000 2.850 199 N HA -0.188 4.595 4.740 0.072 0.000 0.249 199 N C 0.916 176.458 175.510 0.054 0.000 1.060 199 N CA 1.155 54.244 53.050 0.065 0.000 0.825 199 N CB -0.393 38.116 38.487 0.037 0.000 1.132 199 N HN 0.881 nan 8.380 nan 0.000 0.564 200 E N -0.387 119.858 120.200 0.075 0.000 3.249 200 E HA 0.212 4.605 4.350 0.072 0.000 0.184 200 E C 0.207 176.848 176.600 0.068 0.000 1.163 200 E CA 0.193 56.628 56.400 0.057 0.000 1.353 200 E CB 0.829 30.557 29.700 0.047 0.000 1.466 200 E HN 0.351 nan 8.360 nan 0.000 0.502 201 R N 0.087 120.650 120.500 0.105 0.000 2.690 201 R HA 0.506 4.889 4.340 0.072 0.000 0.269 201 R C -1.617 174.758 176.300 0.125 0.000 1.037 201 R CA -0.635 55.518 56.100 0.089 0.000 0.877 201 R CB 0.691 31.023 30.300 0.053 0.000 1.255 201 R HN -0.048 nan 8.270 nan 0.000 0.467 202 I N 2.018 122.629 120.570 0.067 0.000 2.418 202 I HA 0.359 4.572 4.170 0.072 0.000 0.287 202 I C -0.816 175.321 176.117 0.034 0.000 1.008 202 I CA -1.202 60.099 61.300 0.003 0.000 1.104 202 I CB 2.290 40.188 38.000 -0.171 0.000 1.264 202 I HN 0.315 nan 8.210 nan 0.000 0.438 203 V N 7.472 127.403 119.914 0.029 0.000 2.384 203 V HA 0.473 4.636 4.120 0.072 0.000 0.287 203 V C -0.032 176.072 176.094 0.016 0.000 1.020 203 V CA -0.522 61.790 62.300 0.020 0.000 0.850 203 V CB 1.701 33.539 31.823 0.025 0.000 0.987 203 V HN 0.470 nan 8.190 nan 0.000 0.436 204 L N 5.162 126.389 121.223 0.007 0.000 2.334 204 L HA 0.731 5.114 4.340 0.072 0.000 0.276 204 L C 0.015 176.951 176.870 0.109 0.000 1.014 204 L CA -0.546 54.313 54.840 0.032 0.000 0.815 204 L CB 1.951 43.996 42.059 -0.023 0.000 1.268 204 L HN 0.782 nan 8.230 nan 0.000 0.428 205 E N 2.172 122.483 120.200 0.184 0.000 2.312 205 E HA 0.420 4.813 4.350 0.072 0.000 0.267 205 E C -0.808 175.928 176.600 0.227 0.000 0.894 205 E CA -1.118 55.402 56.400 0.199 0.000 0.773 205 E CB 2.186 31.943 29.700 0.096 0.000 1.241 205 E HN 0.456 nan 8.360 nan 0.000 0.432 206 R N 1.556 122.131 120.500 0.125 0.000 2.619 206 R HA -0.095 4.288 4.340 0.072 0.000 0.268 206 R C -0.593 175.623 176.300 -0.139 0.000 0.990 206 R CA 0.185 56.171 56.100 -0.189 0.000 1.092 206 R CB 0.254 30.485 30.300 -0.116 0.000 0.935 206 R HN 0.602 nan 8.270 nan 0.000 0.415 207 N N 5.561 124.121 118.700 -0.234 0.000 2.485 207 N HA 0.195 4.978 4.740 0.072 0.000 0.243 207 N C -2.010 173.476 175.510 -0.040 0.000 0.987 207 N CA -2.362 50.635 53.050 -0.089 0.000 0.940 207 N CB 1.538 39.972 38.487 -0.089 0.000 1.122 207 N HN 0.371 nan 8.380 nan 0.000 0.509 208 P HA -0.071 nan 4.420 nan 0.000 0.233 208 P C 0.362 177.688 177.300 0.043 0.000 1.167 208 P CA 0.911 64.019 63.100 0.012 0.000 0.770 208 P CB 0.509 32.218 31.700 0.015 0.000 0.837 209 Q N -1.436 118.408 119.800 0.072 0.000 2.451 209 Q HA -0.023 4.360 4.340 0.072 0.000 0.206 209 Q C 0.481 176.557 176.000 0.127 0.000 0.947 209 Q CA -0.118 55.744 55.803 0.099 0.000 0.937 209 Q CB -0.659 28.154 28.738 0.125 0.000 1.025 209 Q HN 0.340 nan 8.270 nan 0.000 0.511 210 Y N 2.552 122.828 120.300 -0.040 0.000 2.717 210 Y HA -0.170 4.420 4.550 0.067 0.000 0.330 210 Y C 1.352 177.214 175.900 -0.063 0.000 1.217 210 Y CA -0.620 57.429 58.100 -0.085 0.000 1.506 210 Y CB 0.297 38.625 38.460 -0.220 0.000 1.268 210 Y HN 0.242 nan 8.280 nan 0.000 0.561 211 W N 4.273 125.254 121.300 -0.532 0.000 2.325 211 W HA -0.208 4.493 4.660 0.068 0.000 0.299 211 W C 0.263 176.472 176.519 -0.517 0.000 1.215 211 W CA 1.420 58.492 57.345 -0.454 0.000 1.244 211 W CB -0.365 28.869 29.460 -0.377 0.000 1.140 211 W HN 0.518 nan 8.180 nan 0.000 0.523 212 D N 0.846 120.149 120.400 -1.829 0.000 2.395 212 D HA -0.032 4.652 4.640 0.072 0.000 0.226 212 D C 1.493 177.515 176.300 -0.464 0.000 1.146 212 D CA 0.091 53.381 54.000 -1.184 0.000 0.830 212 D CB -0.662 39.081 40.800 -1.763 0.000 0.958 212 D HN 0.039 nan 8.370 nan 0.000 0.501 213 N N 0.488 119.034 118.700 -0.256 0.000 2.184 213 N HA -0.223 4.560 4.740 0.072 0.000 0.190 213 N C 1.620 177.094 175.510 -0.060 0.000 1.011 213 N CA 1.654 54.677 53.050 -0.045 0.000 0.867 213 N CB -0.032 38.443 38.487 -0.020 0.000 0.993 213 N HN 0.159 nan 8.380 nan 0.000 0.433 214 A N -0.043 122.733 122.820 -0.073 0.000 2.070 214 A HA -0.094 4.269 4.320 0.072 0.000 0.220 214 A C 1.882 179.443 177.584 -0.039 0.000 1.159 214 A CA 1.202 53.213 52.037 -0.043 0.000 0.656 214 A CB -0.223 18.758 19.000 -0.031 0.000 0.800 214 A HN 0.375 nan 8.150 nan 0.000 0.453 215 K N -0.476 119.890 120.400 -0.056 0.000 2.393 215 K HA 0.062 4.425 4.320 0.072 0.000 0.193 215 K C -0.179 176.417 176.600 -0.007 0.000 1.026 215 K CA 0.116 56.384 56.287 -0.033 0.000 1.064 215 K CB 0.169 32.642 32.500 -0.045 0.000 0.833 215 K HN 0.282 nan 8.250 nan 0.000 0.521 216 T N 1.218 115.763 114.554 -0.016 0.000 2.888 216 T HA 0.054 4.447 4.350 0.072 0.000 0.301 216 T C 1.305 176.021 174.700 0.027 0.000 1.001 216 T CA -0.101 61.997 62.100 -0.003 0.000 1.147 216 T CB 1.589 70.402 68.868 -0.091 0.000 0.931 216 T HN -0.179 nan 8.240 nan 0.000 0.541 217 V N 3.240 123.204 119.914 0.084 0.000 2.911 217 V HA 0.181 4.344 4.120 0.072 0.000 0.237 217 V C 1.053 177.223 176.094 0.127 0.000 1.156 217 V CA 0.213 62.573 62.300 0.101 0.000 1.180 217 V CB 0.149 32.053 31.823 0.136 0.000 0.932 217 V HN 0.733 nan 8.190 nan 0.000 0.483 218 I N 2.747 123.427 120.570 0.183 0.000 2.517 218 I HA 0.082 4.295 4.170 0.072 0.000 0.285 218 I C 0.909 177.168 176.117 0.237 0.000 1.106 218 I CA 0.478 61.893 61.300 0.192 0.000 1.402 218 I CB 0.580 38.689 38.000 0.181 0.000 1.399 218 I HN 0.333 nan 8.210 nan 0.000 0.535 219 N N 4.564 123.360 118.700 0.159 0.000 2.415 219 N HA -0.033 4.750 4.740 0.072 0.000 0.176 219 N C 0.456 176.083 175.510 0.195 0.000 1.042 219 N CA 0.562 53.700 53.050 0.147 0.000 0.902 219 N CB 0.563 39.095 38.487 0.076 0.000 0.986 219 N HN 0.650 nan 8.380 nan 0.000 0.447 220 Q N 0.443 120.329 119.800 0.144 0.000 2.295 220 Q HA 0.404 4.787 4.340 0.072 0.000 0.268 220 Q C -2.126 173.844 176.000 -0.049 0.000 1.010 220 Q CA -0.438 55.408 55.803 0.071 0.000 0.856 220 Q CB 2.405 31.167 28.738 0.039 0.000 1.349 220 Q HN -0.104 nan 8.270 nan 0.000 0.412 221 V N 2.769 122.589 119.914 -0.157 0.000 2.656 221 V HA 0.711 4.874 4.120 0.072 0.000 0.307 221 V C -1.256 174.702 176.094 -0.228 0.000 1.051 221 V CA -0.037 62.101 62.300 -0.270 0.000 0.893 221 V CB 2.383 33.932 31.823 -0.457 0.000 0.999 221 V HN 0.890 nan 8.190 nan 0.000 0.426 222 T N 6.487 120.893 114.554 -0.248 0.000 2.824 222 T HA 0.597 4.990 4.350 0.072 0.000 0.280 222 T C -1.312 173.210 174.700 -0.295 0.000 0.995 222 T CA 0.084 62.089 62.100 -0.159 0.000 1.009 222 T CB 0.961 69.769 68.868 -0.099 0.000 0.955 222 T HN 0.571 nan 8.240 nan 0.000 0.452 223 Y N 2.378 122.610 120.300 -0.112 0.000 2.331 223 Y HA 0.551 5.142 4.550 0.069 0.000 0.338 223 Y C 0.158 176.005 175.900 -0.088 0.000 0.992 223 Y CA -0.900 57.131 58.100 -0.115 0.000 1.121 223 Y CB 0.924 39.291 38.460 -0.155 0.000 1.184 223 Y HN 0.395 nan 8.280 nan 0.000 0.469 224 L N 5.907 127.156 121.223 0.043 0.000 2.352 224 L HA 0.547 4.930 4.340 0.072 0.000 0.269 224 L C -2.036 174.827 176.870 -0.012 0.000 1.034 224 L CA -1.904 52.944 54.840 0.014 0.000 0.806 224 L CB 1.909 43.964 42.059 -0.008 0.000 1.244 224 L HN 0.432 nan 8.230 nan 0.000 0.447 225 P HA 0.290 nan 4.420 nan 0.000 0.287 225 P C -0.461 176.795 177.300 -0.073 0.000 1.835 225 P CA -0.085 62.980 63.100 -0.059 0.000 1.281 225 P CB 0.123 31.823 31.700 0.001 0.000 1.750 226 I N 1.217 121.741 120.570 -0.077 0.000 2.379 226 I HA 0.053 4.266 4.170 0.072 0.000 0.290 226 I C 1.638 177.698 176.117 -0.094 0.000 1.063 226 I CA 0.117 61.382 61.300 -0.058 0.000 1.351 226 I CB 0.951 38.933 38.000 -0.030 0.000 1.410 226 I HN 0.025 nan 8.210 nan 0.000 0.505 227 S N 2.323 117.979 115.700 -0.074 0.000 2.524 227 S HA -0.004 4.509 4.470 0.072 0.000 0.216 227 S C 0.944 175.521 174.600 -0.039 0.000 0.987 227 S CA -0.359 57.791 58.200 -0.082 0.000 0.909 227 S CB 0.142 63.309 63.200 -0.054 0.000 0.781 227 S HN 0.601 nan 8.310 nan 0.000 0.521 228 S N 1.379 117.067 115.700 -0.021 0.000 2.405 228 S HA 0.257 4.770 4.470 0.072 0.000 0.291 228 S C 0.661 175.256 174.600 -0.009 0.000 1.137 228 S CA -0.533 57.661 58.200 -0.009 0.000 1.061 228 S CB 0.605 63.806 63.200 0.001 0.000 1.001 228 S HN 0.358 nan 8.310 nan 0.000 0.507 229 E N 3.501 123.693 120.200 -0.013 0.000 2.153 229 E HA -0.095 4.298 4.350 0.072 0.000 0.194 229 E C 1.857 178.456 176.600 -0.002 0.000 0.988 229 E CA 1.083 57.481 56.400 -0.004 0.000 0.811 229 E CB -0.172 29.517 29.700 -0.018 0.000 0.746 229 E HN 0.586 nan 8.360 nan 0.000 0.466 230 V N 0.632 120.544 119.914 -0.003 0.000 2.307 230 V HA -0.265 3.898 4.120 0.072 0.000 0.245 230 V C 2.101 178.200 176.094 0.010 0.000 1.045 230 V CA 2.203 64.504 62.300 0.003 0.000 1.024 230 V CB -0.736 31.088 31.823 0.002 0.000 0.651 230 V HN 0.350 nan 8.190 nan 0.000 0.449 231 T N -0.509 114.051 114.554 0.009 0.000 2.788 231 T HA -0.206 4.187 4.350 0.072 0.000 0.268 231 T C 1.770 176.483 174.700 0.022 0.000 1.044 231 T CA 1.669 63.778 62.100 0.014 0.000 1.139 231 T CB -0.368 68.505 68.868 0.009 0.000 0.867 231 T HN 0.529 nan 8.240 nan 0.000 0.454 232 D N 1.030 121.441 120.400 0.019 0.000 2.097 232 D HA -0.084 4.599 4.640 0.072 0.000 0.195 232 D C 2.141 178.471 176.300 0.050 0.000 0.989 232 D CA 0.734 54.752 54.000 0.031 0.000 0.827 232 D CB -0.438 40.377 40.800 0.024 0.000 0.966 232 D HN 0.187 nan 8.370 nan 0.000 0.456 233 V N 1.072 121.001 119.914 0.024 0.000 2.343 233 V HA -0.229 3.934 4.120 0.072 0.000 0.247 233 V C 2.257 178.403 176.094 0.087 0.000 1.051 233 V CA 1.722 64.035 62.300 0.023 0.000 1.036 233 V CB -0.622 31.192 31.823 -0.015 0.000 0.654 233 V HN 0.244 nan 8.190 nan 0.000 0.451 234 N N 0.549 119.284 118.700 0.057 0.000 2.084 234 N HA -0.146 4.637 4.740 0.072 0.000 0.190 234 N C 1.929 177.479 175.510 0.066 0.000 1.030 234 N CA 1.442 54.524 53.050 0.054 0.000 0.849 234 N CB -0.371 38.134 38.487 0.031 0.000 1.012 234 N HN 0.485 nan 8.380 nan 0.000 0.423 235 R N -0.605 119.934 120.500 0.065 0.000 2.235 235 R HA -0.056 4.327 4.340 0.072 0.000 0.213 235 R C 1.840 178.182 176.300 0.071 0.000 1.059 235 R CA 0.372 56.503 56.100 0.053 0.000 0.997 235 R CB -0.256 30.066 30.300 0.036 0.000 0.884 235 R HN 0.379 nan 8.270 nan 0.000 0.462 236 Y N 1.584 121.870 120.300 -0.024 0.000 2.153 236 Y HA -0.128 4.464 4.550 0.069 0.000 0.289 236 Y C 2.123 178.008 175.900 -0.026 0.000 1.127 236 Y CA 1.387 59.464 58.100 -0.039 0.000 1.131 236 Y CB 0.094 38.514 38.460 -0.066 0.000 0.995 236 Y HN -0.201 nan 8.280 nan 0.000 0.505 237 R N -0.046 120.556 120.500 0.171 0.000 2.148 237 R HA -0.098 4.285 4.340 0.072 0.000 0.227 237 R C 2.438 178.740 176.300 0.004 0.000 1.103 237 R CA 1.202 57.348 56.100 0.076 0.000 0.983 237 R CB -0.408 29.964 30.300 0.120 0.000 0.874 237 R HN 0.485 nan 8.270 nan 0.000 0.451 238 S N -0.963 114.743 115.700 0.009 0.000 2.515 238 S HA 0.033 4.546 4.470 0.072 0.000 0.231 238 S C 1.482 176.076 174.600 -0.009 0.000 0.987 238 S CA 0.866 59.068 58.200 0.003 0.000 0.936 238 S CB 0.464 63.669 63.200 0.009 0.000 0.766 238 S HN 0.499 nan 8.310 nan 0.000 0.528 239 G N 0.815 109.592 108.800 -0.039 0.000 2.238 239 G HA2 -0.265 3.738 3.960 0.072 0.000 0.217 239 G HA3 -0.265 3.738 3.960 0.072 0.000 0.217 239 G C 0.649 175.543 174.900 -0.011 0.000 0.996 239 G CA 0.417 45.508 45.100 -0.014 0.000 0.632 239 G HN 0.504 nan 8.290 nan 0.000 0.503 240 E N -0.055 120.134 120.200 -0.017 0.000 2.072 240 E HA 0.091 4.484 4.350 0.072 0.000 0.191 240 E C 0.843 177.434 176.600 -0.014 0.000 0.985 240 E CA 0.542 56.937 56.400 -0.009 0.000 0.801 240 E CB -0.029 29.669 29.700 -0.003 0.000 0.750 240 E HN 0.604 nan 8.360 nan 0.000 0.452 241 I N 1.657 122.212 120.570 -0.026 0.000 2.359 241 I HA 0.048 4.261 4.170 0.072 0.000 0.294 241 I C 0.383 176.458 176.117 -0.070 0.000 0.987 241 I CA -0.549 60.745 61.300 -0.009 0.000 1.225 241 I CB 1.550 39.590 38.000 0.066 0.000 1.366 241 I HN -0.013 nan 8.210 nan 0.000 0.466 242 D N 5.524 125.897 120.400 -0.046 0.000 2.240 242 D HA 0.122 4.805 4.640 0.072 0.000 0.206 242 D C 0.266 176.552 176.300 -0.024 0.000 0.963 242 D CA 1.383 55.327 54.000 -0.094 0.000 0.863 242 D CB 0.466 41.249 40.800 -0.028 0.000 0.973 242 D HN 0.415 nan 8.370 nan 0.000 0.501 243 M N 0.950 120.548 119.600 -0.002 0.000 2.165 243 M HA 0.162 4.685 4.480 0.072 0.000 0.283 243 M C -0.153 176.124 176.300 -0.039 0.000 0.978 243 M CA -0.473 54.792 55.300 -0.058 0.000 0.948 243 M CB 2.504 34.980 32.600 -0.206 0.000 1.599 243 M HN -0.214 nan 8.290 nan 0.000 0.450 244 T N -0.543 113.963 114.554 -0.082 0.000 2.701 244 T HA 0.211 4.605 4.350 0.072 0.000 0.303 244 T C -0.147 174.536 174.700 -0.028 0.000 1.030 244 T CA -0.198 61.866 62.100 -0.059 0.000 1.010 244 T CB 0.871 69.642 68.868 -0.161 0.000 1.007 244 T HN 0.479 nan 8.240 nan 0.000 0.532 245 Y N 1.798 122.037 120.300 -0.102 0.000 2.296 245 Y HA 0.253 4.847 4.550 0.074 0.000 0.343 245 Y C 0.961 176.806 175.900 -0.091 0.000 1.292 245 Y CA -0.959 57.086 58.100 -0.092 0.000 1.490 245 Y CB 0.472 38.884 38.460 -0.081 0.000 1.359 245 Y HN 0.812 nan 8.280 nan 0.000 0.599 246 N N 2.727 120.948 118.700 -0.799 0.000 3.301 246 N HA 0.159 4.942 4.740 0.072 0.000 0.289 246 N C -1.827 173.478 175.510 -0.342 0.000 1.343 246 N CA -0.286 52.476 53.050 -0.480 0.000 1.136 246 N CB -0.610 37.615 38.487 -0.438 0.000 1.402 246 N HN 0.394 nan 8.380 nan 0.000 0.516 247 N N 1.094 119.710 118.700 -0.140 0.000 2.480 247 N HA 0.308 5.091 4.740 0.072 0.000 0.289 247 N C -0.919 174.580 175.510 -0.019 0.000 1.073 247 N CA -0.283 52.783 53.050 0.026 0.000 0.885 247 N CB 1.406 39.980 38.487 0.146 0.000 1.421 247 N HN 0.242 nan 8.380 nan 0.000 0.503 248 M N 2.529 122.085 119.600 -0.073 0.000 2.363 248 M HA 0.490 5.013 4.480 0.072 0.000 0.343 248 M C -2.262 173.986 176.300 -0.086 0.000 1.165 248 M CA -2.078 53.179 55.300 -0.072 0.000 1.046 248 M CB 1.542 34.076 32.600 -0.111 0.000 1.648 248 M HN 0.191 nan 8.290 nan 0.000 0.452 249 P HA 0.259 nan 4.420 nan 0.000 0.279 249 P C 0.547 177.838 177.300 -0.016 0.000 1.239 249 P CA -0.182 62.899 63.100 -0.031 0.000 0.789 249 P CB 1.081 32.777 31.700 -0.007 0.000 0.933 250 I N 1.488 122.030 120.570 -0.047 0.000 2.394 250 I HA -0.232 3.981 4.170 0.072 0.000 0.251 250 I C 1.981 178.099 176.117 0.002 0.000 1.136 250 I CA 1.458 62.736 61.300 -0.037 0.000 1.425 250 I CB -0.413 37.545 38.000 -0.069 0.000 1.079 250 I HN 0.348 nan 8.210 nan 0.000 0.425 251 E N 0.842 121.040 120.200 -0.002 0.000 2.118 251 E HA -0.164 4.229 4.350 0.072 0.000 0.195 251 E C 1.976 178.586 176.600 0.016 0.000 0.992 251 E CA 1.280 57.682 56.400 0.003 0.000 0.804 251 E CB -0.002 29.697 29.700 -0.002 0.000 0.741 251 E HN 0.469 nan 8.360 nan 0.000 0.458 252 L N -1.423 119.820 121.223 0.033 0.000 2.672 252 L HA 0.182 4.566 4.340 0.072 0.000 0.236 252 L C 1.676 178.571 176.870 0.040 0.000 1.092 252 L CA -0.265 54.590 54.840 0.025 0.000 0.887 252 L CB -0.038 42.028 42.059 0.012 0.000 1.168 252 L HN 0.072 nan 8.230 nan 0.000 0.502 253 F N 1.986 121.895 119.950 -0.069 0.000 2.065 253 F HA -0.302 4.267 4.527 0.069 0.000 0.298 253 F C 2.699 178.458 175.800 -0.068 0.000 1.112 253 F CA 1.874 59.828 58.000 -0.077 0.000 1.212 253 F CB 0.007 38.955 39.000 -0.086 0.000 0.975 253 F HN 0.069 nan 8.300 nan 0.000 0.476 254 Q N 0.762 120.568 119.800 0.009 0.000 2.061 254 Q HA -0.232 4.151 4.340 0.072 0.000 0.204 254 Q C 2.145 178.045 176.000 -0.166 0.000 0.984 254 Q CA 2.033 57.779 55.803 -0.095 0.000 0.846 254 Q CB -0.746 27.990 28.738 -0.003 0.000 0.902 254 Q HN 0.470 nan 8.270 nan 0.000 0.421 255 K N 0.525 120.857 120.400 -0.114 0.000 2.020 255 K HA -0.122 4.241 4.320 0.072 0.000 0.212 255 K C 2.328 178.834 176.600 -0.156 0.000 1.050 255 K CA 1.248 57.472 56.287 -0.105 0.000 0.929 255 K CB -0.376 32.085 32.500 -0.066 0.000 0.714 255 K HN 0.108 nan 8.250 nan 0.000 0.443 256 L N 0.967 122.062 121.223 -0.213 0.000 2.042 256 L HA -0.224 4.159 4.340 0.072 0.000 0.210 256 L C 2.491 179.173 176.870 -0.314 0.000 1.076 256 L CA 1.057 55.745 54.840 -0.255 0.000 0.749 256 L CB -0.491 41.391 42.059 -0.296 0.000 0.893 256 L HN 0.096 nan 8.230 nan 0.000 0.432 257 K N 0.547 120.668 120.400 -0.464 0.000 2.152 257 K HA -0.150 4.213 4.320 0.072 0.000 0.206 257 K C 1.992 178.465 176.600 -0.212 0.000 1.048 257 K CA 1.491 57.549 56.287 -0.381 0.000 0.933 257 K CB -0.023 32.220 32.500 -0.429 0.000 0.721 257 K HN 0.111 nan 8.250 nan 0.000 0.447 258 K N 0.237 120.532 120.400 -0.174 0.000 2.243 258 K HA 0.013 4.377 4.320 0.072 0.000 0.201 258 K C 1.894 178.439 176.600 -0.092 0.000 1.051 258 K CA 0.884 57.105 56.287 -0.111 0.000 0.970 258 K CB 0.191 32.638 32.500 -0.089 0.000 0.755 258 K HN 0.349 nan 8.250 nan 0.000 0.465 259 E N 0.752 120.892 120.200 -0.099 0.000 2.086 259 E HA 0.009 4.402 4.350 0.072 0.000 0.190 259 E C 1.036 177.597 176.600 -0.065 0.000 0.975 259 E CA 0.721 57.079 56.400 -0.070 0.000 0.813 259 E CB 0.202 29.866 29.700 -0.060 0.000 0.768 259 E HN 0.302 nan 8.360 nan 0.000 0.457 260 I N -2.509 118.009 120.570 -0.086 0.000 2.931 260 I HA 0.272 4.485 4.170 0.072 0.000 0.322 260 I C -2.310 173.749 176.117 -0.097 0.000 1.446 260 I CA -1.829 59.427 61.300 -0.073 0.000 0.825 260 I CB 1.044 39.015 38.000 -0.049 0.000 2.195 260 I HN -0.227 nan 8.210 nan 0.000 0.608 261 P HA -0.230 nan 4.420 nan 0.000 0.217 261 P C 0.923 178.175 177.300 -0.080 0.000 1.158 261 P CA 1.753 64.796 63.100 -0.096 0.000 0.887 261 P CB -0.007 31.649 31.700 -0.072 0.000 0.792 262 N N -0.148 118.513 118.700 -0.064 0.000 2.364 262 N HA -0.122 4.661 4.740 0.072 0.000 0.183 262 N C 1.572 177.040 175.510 -0.071 0.000 1.022 262 N CA 0.964 53.980 53.050 -0.057 0.000 0.883 262 N CB -0.379 38.080 38.487 -0.046 0.000 0.965 262 N HN 0.463 nan 8.380 nan 0.000 0.438 263 E N -0.050 120.099 120.200 -0.086 0.000 2.447 263 E HA 0.083 4.476 4.350 0.072 0.000 0.195 263 E C -0.178 176.342 176.600 -0.134 0.000 1.028 263 E CA -0.004 56.336 56.400 -0.101 0.000 0.876 263 E CB 0.683 30.348 29.700 -0.059 0.000 0.885 263 E HN -0.017 nan 8.360 nan 0.000 0.500 264 V N 3.874 123.712 119.914 -0.126 0.000 2.338 264 V HA 0.108 4.271 4.120 0.072 0.000 0.255 264 V C 0.102 176.165 176.094 -0.051 0.000 1.082 264 V CA -0.264 61.965 62.300 -0.118 0.000 0.951 264 V CB 0.078 31.802 31.823 -0.165 0.000 1.102 264 V HN 0.110 nan 8.190 nan 0.000 0.489 265 R N 3.800 124.278 120.500 -0.036 0.000 2.265 265 R HA 0.549 4.933 4.340 0.072 0.000 0.314 265 R C -0.763 175.559 176.300 0.036 0.000 1.053 265 R CA -0.442 55.670 56.100 0.020 0.000 0.931 265 R CB 1.547 31.903 30.300 0.092 0.000 1.024 265 R HN 0.403 nan 8.270 nan 0.000 0.457 266 V N 4.394 124.329 119.914 0.036 0.000 2.445 266 V HA 0.283 4.446 4.120 0.072 0.000 0.283 266 V C -0.482 175.621 176.094 0.015 0.000 1.014 266 V CA -0.671 61.653 62.300 0.041 0.000 0.852 266 V CB 1.716 33.583 31.823 0.073 0.000 1.021 266 V HN 0.669 nan 8.190 nan 0.000 0.435 267 D N 4.692 125.093 120.400 0.002 0.000 2.523 267 D HA 0.500 5.183 4.640 0.072 0.000 0.236 267 D C -2.818 173.495 176.300 0.022 0.000 1.094 267 D CA -1.484 52.507 54.000 -0.016 0.000 0.942 267 D CB 2.939 43.701 40.800 -0.062 0.000 1.447 267 D HN 0.183 nan 8.370 nan 0.000 0.479 268 P HA 0.085 nan 4.420 nan 0.000 0.269 268 P C -0.968 176.477 177.300 0.242 0.000 1.215 268 P CA 0.193 63.337 63.100 0.073 0.000 0.780 268 P CB 0.288 31.991 31.700 0.005 0.000 0.898 269 Y N 1.613 122.027 120.300 0.190 0.000 2.399 269 Y HA 0.297 4.892 4.550 0.075 0.000 0.327 269 Y C -1.087 174.977 175.900 0.275 0.000 1.111 269 Y CA -1.145 57.061 58.100 0.177 0.000 1.047 269 Y CB 1.128 39.673 38.460 0.142 0.000 1.259 269 Y HN 0.146 nan 8.280 nan 0.000 0.434 270 L N 6.172 127.507 121.223 0.186 0.000 2.423 270 L HA 0.331 4.715 4.340 0.072 0.000 0.249 270 L C -0.839 175.980 176.870 -0.086 0.000 1.276 270 L CA 0.199 55.027 54.840 -0.020 0.000 1.199 270 L CB -0.593 41.449 42.059 -0.027 0.000 1.407 270 L HN 0.549 nan 8.230 nan 0.000 0.410 271 c N -0.305 118.223 118.600 -0.119 0.000 2.797 271 c HA 0.641 5.254 4.570 0.072 0.000 0.306 271 c C 0.333 174.611 174.090 0.312 0.000 1.207 271 c CA -0.676 55.578 56.329 -0.126 0.000 1.507 271 c CB 2.149 44.083 42.510 -0.959 0.000 2.028 271 c HN 0.459 nan 8.230 nan 0.000 0.475 272 T N 1.520 116.350 114.554 0.460 0.000 2.812 272 T HA 0.400 4.793 4.350 0.072 0.000 0.282 272 T C -1.181 173.867 174.700 0.581 0.000 0.990 272 T CA -0.169 62.233 62.100 0.502 0.000 0.960 272 T CB 0.779 69.881 68.868 0.390 0.000 0.948 272 T HN 0.588 nan 8.240 nan 0.000 0.438 273 Y N 4.787 125.145 120.300 0.096 0.000 2.327 273 Y HA 0.559 5.151 4.550 0.071 0.000 0.336 273 Y C -0.622 175.205 175.900 -0.121 0.000 1.035 273 Y CA -0.523 57.444 58.100 -0.220 0.000 1.165 273 Y CB 0.455 38.142 38.460 -1.288 0.000 1.181 273 Y HN 0.758 nan 8.280 nan 0.000 0.494 274 Y N 2.324 122.498 120.300 -0.210 0.000 2.670 274 Y HA 0.554 5.146 4.550 0.071 0.000 0.334 274 Y C -2.276 173.408 175.900 -0.360 0.000 1.185 274 Y CA -2.036 55.983 58.100 -0.135 0.000 1.053 274 Y CB 0.957 39.423 38.460 0.009 0.000 1.298 274 Y HN 0.414 nan 8.280 nan 0.000 0.459 275 Y N 1.350 121.736 120.300 0.142 0.000 2.353 275 Y HA 0.272 4.866 4.550 0.073 0.000 0.340 275 Y C 0.159 176.129 175.900 0.116 0.000 0.972 275 Y CA -0.657 57.489 58.100 0.076 0.000 1.157 275 Y CB 1.413 40.015 38.460 0.237 0.000 1.157 275 Y HN 0.624 nan 8.280 nan 0.000 0.495 276 E N 4.716 124.969 120.200 0.089 0.000 2.223 276 E HA 0.294 4.687 4.350 0.072 0.000 0.282 276 E C -0.959 175.752 176.600 0.184 0.000 1.046 276 E CA -0.266 56.226 56.400 0.153 0.000 0.857 276 E CB 0.562 30.281 29.700 0.031 0.000 1.055 276 E HN 0.617 nan 8.360 nan 0.000 0.409 277 I N 4.197 124.810 120.570 0.073 0.000 2.385 277 I HA 0.087 4.300 4.170 0.072 0.000 0.294 277 I C 0.345 176.364 176.117 -0.164 0.000 0.988 277 I CA -0.800 60.425 61.300 -0.126 0.000 1.265 277 I CB 1.143 39.063 38.000 -0.133 0.000 1.388 277 I HN 0.496 nan 8.210 nan 0.000 0.480 278 N N 4.984 123.385 118.700 -0.498 0.000 2.402 278 N HA 0.042 4.825 4.740 0.072 0.000 0.259 278 N C 0.382 175.741 175.510 -0.251 0.000 1.167 278 N CA 0.240 52.927 53.050 -0.605 0.000 0.949 278 N CB 0.196 37.892 38.487 -1.318 0.000 1.212 278 N HN 0.436 nan 8.380 nan 0.000 0.493 279 N N 1.808 120.466 118.700 -0.070 0.000 2.459 279 N HA -0.129 4.654 4.740 0.072 0.000 0.181 279 N C 0.720 176.229 175.510 -0.001 0.000 1.046 279 N CA 0.849 53.906 53.050 0.012 0.000 0.904 279 N CB 0.134 38.682 38.487 0.102 0.000 0.964 279 N HN 0.735 nan 8.380 nan 0.000 0.444 280 Q N -0.638 119.135 119.800 -0.046 0.000 2.220 280 Q HA 0.168 4.552 4.340 0.072 0.000 0.205 280 Q C -0.129 175.827 176.000 -0.073 0.000 0.865 280 Q CA 0.015 55.787 55.803 -0.052 0.000 0.960 280 Q CB 0.357 29.069 28.738 -0.045 0.000 1.097 280 Q HN 0.029 nan 8.270 nan 0.000 0.493 281 K N 1.435 121.790 120.400 -0.074 0.000 2.307 281 K HA 0.561 4.924 4.320 0.072 0.000 0.263 281 K C -0.851 175.763 176.600 0.025 0.000 0.973 281 K CA -0.500 55.762 56.287 -0.041 0.000 0.846 281 K CB 1.390 33.842 32.500 -0.079 0.000 1.100 281 K HN 0.203 nan 8.250 nan 0.000 0.438 282 A N 4.867 127.674 122.820 -0.022 0.000 2.498 282 A HA 0.190 4.553 4.320 0.072 0.000 0.239 282 A C -1.672 175.843 177.584 -0.116 0.000 1.068 282 A CA -0.871 51.123 52.037 -0.071 0.000 0.766 282 A CB -0.056 18.907 19.000 -0.060 0.000 1.003 282 A HN 0.728 nan 8.150 nan 0.000 0.497 283 P HA 0.135 nan 4.420 nan 0.000 0.261 283 P C 0.199 177.199 177.300 -0.501 0.000 1.352 283 P CA 0.297 63.179 63.100 -0.364 0.000 0.891 283 P CB -0.039 31.485 31.700 -0.293 0.000 1.383 284 F N 1.657 121.525 119.950 -0.137 0.000 2.802 284 F HA -0.011 4.559 4.527 0.072 0.000 0.300 284 F C 1.749 177.475 175.800 -0.122 0.000 1.168 284 F CA 0.288 58.181 58.000 -0.178 0.000 1.433 284 F CB -0.769 38.080 39.000 -0.253 0.000 1.115 284 F HN 0.041 nan 8.300 nan 0.000 0.582 285 N N -0.998 117.701 118.700 -0.003 0.000 2.398 285 N HA -0.070 4.713 4.740 0.072 0.000 0.188 285 N C -0.303 175.196 175.510 -0.019 0.000 1.122 285 N CA 0.249 53.295 53.050 -0.006 0.000 0.866 285 N CB -0.341 38.135 38.487 -0.019 0.000 0.970 285 N HN 0.089 nan 8.380 nan 0.000 0.462 286 D N 0.642 121.018 120.400 -0.039 0.000 2.359 286 D HA 0.058 4.741 4.640 0.072 0.000 0.230 286 D C 0.889 177.173 176.300 -0.026 0.000 1.118 286 D CA -0.492 53.487 54.000 -0.035 0.000 0.844 286 D CB 2.049 42.821 40.800 -0.046 0.000 1.059 286 D HN -0.170 nan 8.370 nan 0.000 0.493 287 V N 5.852 125.761 119.914 -0.009 0.000 2.469 287 V HA -0.255 3.908 4.120 0.072 0.000 0.251 287 V C 2.142 178.225 176.094 -0.020 0.000 1.064 287 V CA 1.858 64.155 62.300 -0.005 0.000 1.066 287 V CB -0.180 31.650 31.823 0.012 0.000 0.667 287 V HN 0.539 nan 8.190 nan 0.000 0.461 288 R N -0.800 119.690 120.500 -0.016 0.000 2.096 288 R HA -0.111 4.273 4.340 0.072 0.000 0.235 288 R C 2.127 178.401 176.300 -0.044 0.000 1.127 288 R CA 1.620 57.711 56.100 -0.015 0.000 0.968 288 R CB -0.598 29.706 30.300 0.006 0.000 0.861 288 R HN 0.486 nan 8.270 nan 0.000 0.440 289 V N 1.183 121.058 119.914 -0.066 0.000 2.379 289 V HA -0.178 3.985 4.120 0.072 0.000 0.245 289 V C 2.290 178.299 176.094 -0.141 0.000 1.044 289 V CA 1.588 63.803 62.300 -0.141 0.000 1.036 289 V CB -0.450 31.240 31.823 -0.221 0.000 0.664 289 V HN 0.291 nan 8.190 nan 0.000 0.453 290 R N -0.078 120.373 120.500 -0.082 0.000 2.075 290 R HA -0.123 4.261 4.340 0.072 0.000 0.232 290 R C 2.352 178.594 176.300 -0.095 0.000 1.126 290 R CA 1.855 57.914 56.100 -0.067 0.000 0.963 290 R CB -0.889 29.393 30.300 -0.030 0.000 0.858 290 R HN 0.469 nan 8.270 nan 0.000 0.435 291 T N 1.277 115.776 114.554 -0.092 0.000 2.746 291 T HA -0.140 4.253 4.350 0.072 0.000 0.267 291 T C 2.024 176.648 174.700 -0.126 0.000 1.039 291 T CA 1.452 63.479 62.100 -0.122 0.000 1.142 291 T CB -0.234 68.582 68.868 -0.086 0.000 0.866 291 T HN 0.391 nan 8.240 nan 0.000 0.444 292 A N 1.302 124.060 122.820 -0.103 0.000 1.877 292 A HA 0.001 4.364 4.320 0.072 0.000 0.216 292 A C 2.316 179.835 177.584 -0.108 0.000 1.186 292 A CA 1.220 53.202 52.037 -0.091 0.000 0.620 292 A CB -0.873 18.060 19.000 -0.112 0.000 0.822 292 A HN 0.473 nan 8.150 nan 0.000 0.443 293 L N -0.644 120.458 121.223 -0.202 0.000 2.046 293 L HA -0.215 4.168 4.340 0.072 0.000 0.208 293 L C 2.664 179.626 176.870 0.154 0.000 1.077 293 L CA 1.986 56.666 54.840 -0.265 0.000 0.747 293 L CB -0.439 41.324 42.059 -0.493 0.000 0.896 293 L HN 0.493 nan 8.230 nan 0.000 0.432 294 K N 0.662 121.075 120.400 0.022 0.000 2.026 294 K HA -0.175 4.188 4.320 0.072 0.000 0.208 294 K C 2.118 178.668 176.600 -0.082 0.000 1.048 294 K CA 1.361 57.641 56.287 -0.012 0.000 0.929 294 K CB -0.044 32.330 32.500 -0.211 0.000 0.713 294 K HN 0.242 nan 8.250 nan 0.000 0.439 295 L N 0.158 121.289 121.223 -0.154 0.000 2.109 295 L HA -0.034 4.350 4.340 0.072 0.000 0.207 295 L C 2.483 179.417 176.870 0.107 0.000 1.086 295 L CA 0.887 55.663 54.840 -0.107 0.000 0.760 295 L CB -0.356 41.652 42.059 -0.085 0.000 0.910 295 L HN 0.249 nan 8.230 nan 0.000 0.437 296 A N -0.194 122.736 122.820 0.184 0.000 2.168 296 A HA -0.009 4.354 4.320 0.072 0.000 0.215 296 A C 1.205 178.984 177.584 0.324 0.000 1.152 296 A CA 0.103 52.299 52.037 0.265 0.000 0.716 296 A CB -0.373 18.794 19.000 0.278 0.000 0.794 296 A HN 0.300 nan 8.150 nan 0.000 0.465 297 L N 0.828 122.270 121.223 0.366 0.000 2.410 297 L HA 0.123 4.506 4.340 0.072 0.000 0.273 297 L C -0.573 176.364 176.870 0.111 0.000 1.144 297 L CA -0.351 54.563 54.840 0.123 0.000 0.863 297 L CB 0.523 42.644 42.059 0.104 0.000 1.140 297 L HN 0.124 nan 8.230 nan 0.000 0.463 298 D N 4.747 125.174 120.400 0.044 0.000 2.456 298 D HA 0.150 4.833 4.640 0.072 0.000 0.219 298 D C 1.079 177.409 176.300 0.050 0.000 1.126 298 D CA -0.217 53.820 54.000 0.062 0.000 0.890 298 D CB 0.836 41.659 40.800 0.039 0.000 1.025 298 D HN 0.528 nan 8.370 nan 0.000 0.511 299 R N 2.243 122.804 120.500 0.101 0.000 2.096 299 R HA -0.143 4.240 4.340 0.072 0.000 0.235 299 R C 1.390 177.722 176.300 0.053 0.000 1.127 299 R CA 1.466 57.631 56.100 0.109 0.000 0.968 299 R CB 0.012 30.437 30.300 0.209 0.000 0.861 299 R HN 0.411 nan 8.270 nan 0.000 0.440 300 D N 0.507 120.923 120.400 0.027 0.000 2.144 300 D HA -0.110 4.573 4.640 0.072 0.000 0.199 300 D C 1.699 177.992 176.300 -0.012 0.000 0.984 300 D CA 1.004 55.004 54.000 0.000 0.000 0.834 300 D CB 0.101 40.894 40.800 -0.012 0.000 0.955 300 D HN 0.147 nan 8.370 nan 0.000 0.465 301 I N 0.000 120.564 120.570 -0.011 0.000 2.202 301 I HA -0.205 4.008 4.170 0.072 0.000 0.242 301 I C 2.246 178.336 176.117 -0.045 0.000 1.091 301 I CA 0.742 62.026 61.300 -0.026 0.000 1.368 301 I CB -0.198 37.787 38.000 -0.025 0.000 1.058 301 I HN 0.126 nan 8.210 nan 0.000 0.410 302 I N 0.024 120.569 120.570 -0.042 0.000 2.163 302 I HA -0.244 3.969 4.170 0.072 0.000 0.240 302 I C 2.420 178.474 176.117 -0.105 0.000 1.081 302 I CA 1.343 62.604 61.300 -0.065 0.000 1.353 302 I CB -0.250 37.727 38.000 -0.038 0.000 1.054 302 I HN 0.002 nan 8.210 nan 0.000 0.407 303 V N 0.668 120.529 119.914 -0.087 0.000 2.323 303 V HA -0.210 3.953 4.120 0.072 0.000 0.244 303 V C 1.683 177.684 176.094 -0.155 0.000 1.041 303 V CA 2.291 64.489 62.300 -0.170 0.000 1.025 303 V CB -1.020 30.741 31.823 -0.103 0.000 0.656 303 V HN 0.452 nan 8.190 nan 0.000 0.451 304 N N -0.398 118.251 118.700 -0.085 0.000 2.395 304 N HA -0.001 4.782 4.740 0.072 0.000 0.175 304 N C 1.725 177.198 175.510 -0.061 0.000 1.029 304 N CA 0.527 53.537 53.050 -0.067 0.000 0.897 304 N CB 0.101 38.567 38.487 -0.035 0.000 0.991 304 N HN 0.457 nan 8.380 nan 0.000 0.441 305 K N 0.252 120.616 120.400 -0.059 0.000 2.240 305 K HA 0.089 4.452 4.320 0.072 0.000 0.202 305 K C 2.049 178.612 176.600 -0.062 0.000 1.053 305 K CA 0.450 56.707 56.287 -0.050 0.000 0.973 305 K CB 0.038 32.515 32.500 -0.037 0.000 0.924 305 K HN -0.008 nan 8.250 nan 0.000 0.477 306 V N 0.504 120.371 119.914 -0.078 0.000 2.599 306 V HA -0.011 4.152 4.120 0.072 0.000 0.245 306 V C 1.905 177.931 176.094 -0.114 0.000 1.046 306 V CA 1.421 63.670 62.300 -0.085 0.000 1.065 306 V CB 0.088 31.862 31.823 -0.081 0.000 0.703 306 V HN 0.158 nan 8.190 nan 0.000 0.464 307 K N 0.202 120.502 120.400 -0.167 0.000 2.102 307 K HA 0.059 4.422 4.320 0.072 0.000 0.206 307 K C 1.075 177.544 176.600 -0.218 0.000 1.031 307 K CA 0.739 56.885 56.287 -0.235 0.000 0.962 307 K CB -0.090 32.185 32.500 -0.376 0.000 0.811 307 K HN 0.574 nan 8.250 nan 0.000 0.453 308 N N 1.301 119.874 118.700 -0.212 0.000 2.705 308 N HA -0.205 4.578 4.740 0.072 0.000 0.255 308 N C -0.736 174.689 175.510 -0.141 0.000 1.008 308 N CA 0.469 53.432 53.050 -0.144 0.000 0.742 308 N CB -0.524 37.927 38.487 -0.060 0.000 0.906 308 N HN 0.457 nan 8.380 nan 0.000 0.541 309 Q N -0.691 118.924 119.800 -0.309 0.000 2.179 309 Q HA 0.260 4.643 4.340 0.072 0.000 0.213 309 Q C 1.377 177.241 176.000 -0.226 0.000 0.833 309 Q CA 0.446 55.984 55.803 -0.442 0.000 0.990 309 Q CB 0.769 28.910 28.738 -0.994 0.000 1.132 309 Q HN 0.598 nan 8.270 nan 0.000 0.493 310 G N 0.820 109.532 108.800 -0.147 0.000 2.184 310 G HA2 -0.173 3.831 3.960 0.072 0.000 0.206 310 G HA3 -0.173 3.831 3.960 0.072 0.000 0.206 310 G C -0.145 174.698 174.900 -0.094 0.000 0.995 310 G CA -0.328 44.725 45.100 -0.079 0.000 0.651 310 G HN 0.328 nan 8.290 nan 0.000 0.511 311 D N 0.242 120.516 120.400 -0.209 0.000 2.361 311 D HA 0.408 5.091 4.640 0.072 0.000 0.239 311 D C 0.011 176.287 176.300 -0.040 0.000 1.200 311 D CA 0.261 54.155 54.000 -0.177 0.000 0.915 311 D CB 1.284 41.700 40.800 -0.640 0.000 1.170 311 D HN 0.066 nan 8.370 nan 0.000 0.444 312 L N 1.677 122.977 121.223 0.129 0.000 2.333 312 L HA 0.307 4.690 4.340 0.072 0.000 0.280 312 L C -2.334 174.654 176.870 0.197 0.000 1.004 312 L CA -2.069 52.894 54.840 0.205 0.000 0.820 312 L CB 1.373 43.630 42.059 0.330 0.000 1.247 312 L HN 0.032 nan 8.230 nan 0.000 0.416 313 P HA 0.084 nan 4.420 nan 0.000 0.260 313 P C -0.929 176.448 177.300 0.128 0.000 1.172 313 P CA 0.129 63.381 63.100 0.254 0.000 0.760 313 P CB 0.485 32.410 31.700 0.376 0.000 0.773 314 A N 3.727 126.435 122.820 -0.188 0.000 2.312 314 A HA 0.526 4.890 4.320 0.072 0.000 0.326 314 A C -0.257 177.179 177.584 -0.247 0.000 1.172 314 A CA -0.355 51.243 52.037 -0.730 0.000 0.821 314 A CB 0.218 18.551 19.000 -1.111 0.000 1.166 314 A HN 0.702 nan 8.150 nan 0.000 0.493 315 Y N 0.225 120.346 120.300 -0.298 0.000 2.610 315 Y HA 0.464 5.057 4.550 0.072 0.000 0.254 315 Y C 0.327 176.224 175.900 -0.005 0.000 1.110 315 Y CA -0.145 57.791 58.100 -0.273 0.000 1.238 315 Y CB -0.463 37.317 38.460 -1.133 0.000 1.322 315 Y HN 0.672 nan 8.280 nan 0.000 0.547 316 S N -1.808 113.782 115.700 -0.183 0.000 2.720 316 S HA 0.360 4.873 4.470 0.072 0.000 0.287 316 S C -0.344 174.268 174.600 0.021 0.000 1.168 316 S CA -0.517 57.664 58.200 -0.032 0.000 0.832 316 S CB 1.413 64.541 63.200 -0.120 0.000 1.166 316 S HN 0.111 nan 8.310 nan 0.000 0.493 317 Y N 1.874 122.077 120.300 -0.161 0.000 2.190 317 Y HA 0.304 4.899 4.550 0.074 0.000 0.290 317 Y C 1.161 176.853 175.900 -0.346 0.000 1.115 317 Y CA 1.194 59.169 58.100 -0.208 0.000 1.107 317 Y CB -0.831 37.491 38.460 -0.231 0.000 1.033 317 Y HN 0.716 nan 8.280 nan 0.000 0.502 318 T N 5.337 119.570 114.554 -0.536 0.000 2.853 318 T HA 0.136 4.529 4.350 0.072 0.000 0.298 318 T C -2.616 171.509 174.700 -0.959 0.000 0.978 318 T CA -0.916 60.520 62.100 -1.106 0.000 1.152 318 T CB 0.653 69.144 68.868 -0.628 0.000 0.914 318 T HN 0.094 nan 8.240 nan 0.000 0.539 319 P HA 0.114 nan 4.420 nan 0.000 0.267 319 P C -1.745 174.905 177.300 -1.083 0.000 1.205 319 P CA -1.486 60.836 63.100 -1.296 0.000 0.765 319 P CB 0.172 31.022 31.700 -1.417 0.000 0.828 320 P HA -0.141 nan 4.420 nan 0.000 0.225 320 P C 0.540 177.700 177.300 -0.233 0.000 1.148 320 P CA 1.507 64.350 63.100 -0.427 0.000 0.779 320 P CB -0.415 31.144 31.700 -0.234 0.000 0.780 321 Y N -2.688 117.426 120.300 -0.311 0.000 2.468 321 Y HA 0.390 4.982 4.550 0.069 0.000 0.268 321 Y C 0.585 176.386 175.900 -0.164 0.000 1.177 321 Y CA -0.852 57.138 58.100 -0.184 0.000 1.265 321 Y CB -1.411 36.962 38.460 -0.145 0.000 1.103 321 Y HN -0.331 nan 8.280 nan 0.000 0.522 322 T N 2.254 116.556 114.554 -0.420 0.000 2.932 322 T HA -0.110 4.284 4.350 0.072 0.000 0.312 322 T C -0.097 174.516 174.700 -0.145 0.000 1.071 322 T CA -0.075 61.841 62.100 -0.307 0.000 1.128 322 T CB 0.247 68.862 68.868 -0.422 0.000 0.984 322 T HN 0.291 nan 8.240 nan 0.000 0.549 323 D N 1.124 121.477 120.400 -0.079 0.000 2.451 323 D HA 0.205 4.888 4.640 0.072 0.000 0.254 323 D C 1.276 177.552 176.300 -0.039 0.000 1.204 323 D CA 1.418 55.403 54.000 -0.025 0.000 0.896 323 D CB -0.181 40.627 40.800 0.012 0.000 1.136 323 D HN 0.850 nan 8.370 nan 0.000 0.499 324 G N 2.460 111.259 108.800 -0.003 0.000 2.179 324 G HA2 -0.107 3.897 3.960 0.072 0.000 0.220 324 G HA3 -0.107 3.897 3.960 0.072 0.000 0.220 324 G C 0.300 175.230 174.900 0.050 0.000 0.990 324 G CA 0.167 45.294 45.100 0.044 0.000 0.646 324 G HN 0.900 nan 8.290 nan 0.000 0.517 325 A N 0.370 123.168 122.820 -0.036 0.000 2.289 325 A HA 0.736 5.099 4.320 0.072 0.000 0.298 325 A C 0.329 177.901 177.584 -0.021 0.000 1.208 325 A CA -0.007 51.998 52.037 -0.054 0.000 0.845 325 A CB 0.464 19.354 19.000 -0.184 0.000 1.125 325 A HN 0.378 nan 8.150 nan 0.000 0.517 326 K N 3.847 124.253 120.400 0.009 0.000 2.753 326 K HA 0.365 4.728 4.320 0.072 0.000 0.185 326 K C -1.120 175.490 176.600 0.016 0.000 1.071 326 K CA -0.031 56.262 56.287 0.010 0.000 0.999 326 K CB 0.952 33.460 32.500 0.014 0.000 1.244 326 K HN 0.642 nan 8.250 nan 0.000 0.594 327 L N 1.332 122.564 121.223 0.015 0.000 2.399 327 L HA 0.397 4.780 4.340 0.072 0.000 0.266 327 L C 0.261 177.150 176.870 0.033 0.000 1.114 327 L CA -1.228 53.637 54.840 0.041 0.000 0.804 327 L CB 1.233 43.332 42.059 0.067 0.000 1.146 327 L HN 0.082 nan 8.230 nan 0.000 0.451 328 V N 1.737 121.660 119.914 0.015 0.000 2.406 328 V HA 0.088 4.251 4.120 0.072 0.000 0.272 328 V C 0.383 176.393 176.094 -0.141 0.000 1.043 328 V CA -0.480 61.792 62.300 -0.048 0.000 0.915 328 V CB 1.183 32.988 31.823 -0.030 0.000 0.988 328 V HN 0.725 nan 8.190 nan 0.000 0.466 329 E N 8.077 128.082 120.200 -0.326 0.000 2.299 329 E HA 0.197 4.590 4.350 0.072 0.000 0.272 329 E C -2.172 174.127 176.600 -0.502 0.000 1.043 329 E CA -1.438 54.516 56.400 -0.744 0.000 0.895 329 E CB 0.947 30.159 29.700 -0.815 0.000 1.011 329 E HN 0.475 nan 8.360 nan 0.000 0.432 330 P HA 0.037 nan 4.420 nan 0.000 0.274 330 P C 0.147 177.124 177.300 -0.538 0.000 1.231 330 P CA -0.209 62.621 63.100 -0.450 0.000 0.790 330 P CB 0.975 32.418 31.700 -0.428 0.000 0.951 331 E N 1.478 121.478 120.200 -0.334 0.000 2.118 331 E HA -0.152 4.241 4.350 0.072 0.000 0.195 331 E C 1.904 178.090 176.600 -0.691 0.000 0.992 331 E CA 1.427 57.655 56.400 -0.285 0.000 0.804 331 E CB -0.574 29.119 29.700 -0.011 0.000 0.741 331 E HN 0.708 nan 8.360 nan 0.000 0.458 332 W N -0.052 120.702 121.300 -0.910 0.000 2.350 332 W HA -0.190 4.513 4.660 0.072 0.000 0.289 332 W C 1.785 177.948 176.519 -0.592 0.000 1.215 332 W CA 0.418 56.913 57.345 -1.417 0.000 1.236 332 W CB -1.272 27.619 29.460 -0.948 0.000 1.130 332 W HN -0.043 nan 8.180 nan 0.000 0.541 333 F N 2.847 122.149 119.950 -1.079 0.000 2.293 333 F HA -0.058 4.512 4.527 0.072 0.000 0.300 333 F C 2.276 177.901 175.800 -0.291 0.000 1.086 333 F CA 1.835 59.389 58.000 -0.743 0.000 1.375 333 F CB -0.241 38.137 39.000 -1.036 0.000 1.045 333 F HN -0.224 nan 8.300 nan 0.000 0.516 334 K N -0.909 119.359 120.400 -0.220 0.000 2.365 334 K HA -0.072 4.291 4.320 0.072 0.000 0.197 334 K C 0.387 177.041 176.600 0.090 0.000 1.042 334 K CA -0.048 56.185 56.287 -0.090 0.000 0.987 334 K CB -0.158 32.333 32.500 -0.015 0.000 0.779 334 K HN 0.091 nan 8.250 nan 0.000 0.484 335 W N 2.462 123.766 121.300 0.006 0.000 1.900 335 W HA -0.009 4.694 4.660 0.073 0.000 0.357 335 W C 1.304 177.829 176.519 0.010 0.000 1.390 335 W CA -1.067 56.301 57.345 0.039 0.000 1.428 335 W CB -0.596 28.926 29.460 0.104 0.000 1.295 335 W HN -0.061 nan 8.180 nan 0.000 0.666 336 S N -0.147 115.725 115.700 0.286 0.000 2.632 336 S HA 0.104 4.617 4.470 0.072 0.000 0.267 336 S C 0.709 175.422 174.600 0.187 0.000 1.276 336 S CA -0.420 57.872 58.200 0.153 0.000 0.998 336 S CB 1.435 64.688 63.200 0.088 0.000 0.953 336 S HN 0.390 nan 8.310 nan 0.000 0.547 337 Q N 0.237 120.114 119.800 0.127 0.000 2.172 337 Q HA -0.087 4.296 4.340 0.072 0.000 0.200 337 Q C 2.178 178.262 176.000 0.139 0.000 0.964 337 Q CA 1.634 57.522 55.803 0.141 0.000 0.855 337 Q CB -0.497 28.298 28.738 0.095 0.000 0.918 337 Q HN 0.849 nan 8.270 nan 0.000 0.444 338 Q N 0.166 120.026 119.800 0.100 0.000 2.045 338 Q HA -0.256 4.128 4.340 0.072 0.000 0.206 338 Q C 1.948 177.996 176.000 0.080 0.000 0.991 338 Q CA 2.047 57.894 55.803 0.074 0.000 0.851 338 Q CB -0.136 28.626 28.738 0.041 0.000 0.911 338 Q HN 0.376 nan 8.270 nan 0.000 0.418 339 K N 0.041 120.492 120.400 0.085 0.000 2.097 339 K HA -0.150 4.214 4.320 0.072 0.000 0.205 339 K C 2.106 178.829 176.600 0.206 0.000 1.050 339 K CA 1.044 57.351 56.287 0.033 0.000 0.938 339 K CB 0.001 32.426 32.500 -0.125 0.000 0.718 339 K HN 0.115 nan 8.250 nan 0.000 0.442 340 R N 0.394 121.137 120.500 0.405 0.000 2.091 340 R HA -0.097 4.286 4.340 0.072 0.000 0.238 340 R C 2.073 178.519 176.300 0.243 0.000 1.136 340 R CA 1.632 57.992 56.100 0.434 0.000 0.959 340 R CB -0.339 30.177 30.300 0.360 0.000 0.856 340 R HN 0.286 nan 8.270 nan 0.000 0.437 341 N N 0.515 119.320 118.700 0.174 0.000 2.120 341 N HA -0.147 4.636 4.740 0.072 0.000 0.188 341 N C 1.622 177.190 175.510 0.096 0.000 1.024 341 N CA 1.060 54.185 53.050 0.125 0.000 0.852 341 N CB -0.181 38.368 38.487 0.103 0.000 1.003 341 N HN 0.170 nan 8.380 nan 0.000 0.424 342 E N 0.975 121.222 120.200 0.078 0.000 2.031 342 E HA -0.184 4.209 4.350 0.072 0.000 0.193 342 E C 1.861 178.497 176.600 0.060 0.000 0.994 342 E CA 0.827 57.256 56.400 0.048 0.000 0.800 342 E CB -0.345 29.363 29.700 0.013 0.000 0.752 342 E HN 0.373 nan 8.360 nan 0.000 0.447 343 E N 0.909 121.164 120.200 0.092 0.000 2.097 343 E HA -0.176 4.217 4.350 0.072 0.000 0.196 343 E C 1.842 178.501 176.600 0.097 0.000 1.000 343 E CA 1.685 58.157 56.400 0.120 0.000 0.804 343 E CB -0.340 29.514 29.700 0.256 0.000 0.740 343 E HN 0.198 nan 8.360 nan 0.000 0.454 344 A N 0.614 123.491 122.820 0.095 0.000 1.877 344 A HA -0.206 4.158 4.320 0.072 0.000 0.216 344 A C 2.075 179.679 177.584 0.033 0.000 1.186 344 A CA 1.928 53.995 52.037 0.049 0.000 0.620 344 A CB -0.452 18.582 19.000 0.056 0.000 0.822 344 A HN 0.257 nan 8.150 nan 0.000 0.443 345 K N -0.227 120.199 120.400 0.044 0.000 2.097 345 K HA -0.134 4.229 4.320 0.072 0.000 0.205 345 K C 2.167 178.790 176.600 0.038 0.000 1.050 345 K CA 1.415 57.724 56.287 0.036 0.000 0.938 345 K CB -0.148 32.375 32.500 0.038 0.000 0.718 345 K HN 0.523 nan 8.250 nan 0.000 0.442 346 K N 1.647 122.071 120.400 0.040 0.000 1.991 346 K HA -0.173 4.190 4.320 0.072 0.000 0.212 346 K C 2.065 178.688 176.600 0.039 0.000 1.049 346 K CA 1.393 57.702 56.287 0.037 0.000 0.932 346 K CB -0.188 32.334 32.500 0.036 0.000 0.717 346 K HN 0.033 nan 8.250 nan 0.000 0.441 347 L N 1.071 122.317 121.223 0.039 0.000 2.042 347 L HA -0.227 4.156 4.340 0.072 0.000 0.210 347 L C 2.499 179.398 176.870 0.048 0.000 1.076 347 L CA 1.158 56.018 54.840 0.035 0.000 0.749 347 L CB -0.468 41.604 42.059 0.022 0.000 0.893 347 L HN 0.258 nan 8.230 nan 0.000 0.432 348 L N -0.563 120.691 121.223 0.051 0.000 2.056 348 L HA -0.163 4.220 4.340 0.072 0.000 0.207 348 L C 2.922 179.897 176.870 0.175 0.000 1.078 348 L CA 1.032 55.945 54.840 0.120 0.000 0.749 348 L CB -0.775 41.313 42.059 0.049 0.000 0.901 348 L HN 0.259 nan 8.230 nan 0.000 0.433 349 A N 0.150 123.029 122.820 0.098 0.000 1.902 349 A HA -0.240 4.124 4.320 0.072 0.000 0.217 349 A C 2.137 179.744 177.584 0.039 0.000 1.181 349 A CA 1.744 53.822 52.037 0.070 0.000 0.623 349 A CB -0.478 18.548 19.000 0.043 0.000 0.818 349 A HN 0.431 nan 8.150 nan 0.000 0.443 350 E N -0.422 119.799 120.200 0.035 0.000 2.118 350 E HA -0.120 4.273 4.350 0.072 0.000 0.195 350 E C 2.029 178.632 176.600 0.004 0.000 0.992 350 E CA 0.944 57.353 56.400 0.015 0.000 0.804 350 E CB -0.250 29.461 29.700 0.018 0.000 0.741 350 E HN 0.626 nan 8.360 nan 0.000 0.458 351 A N -0.111 122.734 122.820 0.043 0.000 2.209 351 A HA 0.168 4.532 4.320 0.072 0.000 0.212 351 A C 1.695 179.188 177.584 -0.152 0.000 1.158 351 A CA 0.992 53.042 52.037 0.023 0.000 0.742 351 A CB -0.220 18.889 19.000 0.180 0.000 0.790 351 A HN 0.364 nan 8.150 nan 0.000 0.472 352 G N -2.454 106.253 108.800 -0.155 0.000 2.163 352 G HA2 -0.195 3.808 3.960 0.072 0.000 0.213 352 G HA3 -0.195 3.808 3.960 0.072 0.000 0.213 352 G C -0.076 174.572 174.900 -0.419 0.000 0.991 352 G CA -0.145 44.782 45.100 -0.290 0.000 0.653 352 G HN 0.296 nan 8.290 nan 0.000 0.518 353 F N 1.993 121.917 119.950 -0.044 0.000 2.396 353 F HA 0.625 5.195 4.527 0.072 0.000 0.343 353 F C 1.185 176.969 175.800 -0.026 0.000 1.104 353 F CA 0.660 58.637 58.000 -0.038 0.000 1.161 353 F CB 1.689 40.663 39.000 -0.044 0.000 1.146 353 F HN 0.227 nan 8.300 nan 0.000 0.522 354 T N -1.002 113.637 114.554 0.142 0.000 2.864 354 T HA 0.645 5.039 4.350 0.072 0.000 0.289 354 T C 0.746 175.492 174.700 0.078 0.000 1.082 354 T CA -0.368 61.779 62.100 0.078 0.000 1.009 354 T CB 1.438 70.322 68.868 0.026 0.000 1.234 354 T HN 0.548 nan 8.240 nan 0.000 0.526 355 A N 0.210 123.059 122.820 0.048 0.000 1.940 355 A HA -0.056 4.307 4.320 0.072 0.000 0.219 355 A C 1.883 179.489 177.584 0.037 0.000 1.176 355 A CA 2.333 54.394 52.037 0.039 0.000 0.631 355 A CB -1.376 17.640 19.000 0.027 0.000 0.814 355 A HN 0.992 nan 8.150 nan 0.000 0.446 356 D N -0.429 119.989 120.400 0.030 0.000 2.224 356 D HA -0.056 4.627 4.640 0.072 0.000 0.205 356 D C 0.610 176.930 176.300 0.033 0.000 0.965 356 D CA 1.100 55.114 54.000 0.024 0.000 0.852 356 D CB 0.016 40.824 40.800 0.012 0.000 0.947 356 D HN 0.561 nan 8.370 nan 0.000 0.494 357 K N 0.522 120.952 120.400 0.051 0.000 2.842 357 K HA 0.335 4.698 4.320 0.072 0.000 0.176 357 K C -2.771 173.938 176.600 0.181 0.000 1.080 357 K CA -1.611 54.722 56.287 0.077 0.000 0.954 357 K CB 1.867 34.383 32.500 0.027 0.000 1.203 357 K HN 0.016 nan 8.250 nan 0.000 0.611 358 P HA 0.059 nan 4.420 nan 0.000 0.275 358 P C -0.480 176.904 177.300 0.140 0.000 1.266 358 P CA -0.779 62.411 63.100 0.150 0.000 0.793 358 P CB 0.766 32.497 31.700 0.052 0.000 1.074 359 L N 0.456 121.604 121.223 -0.124 0.000 2.265 359 L HA 0.433 4.816 4.340 0.072 0.000 0.288 359 L C -0.640 176.165 176.870 -0.109 0.000 1.058 359 L CA 0.673 55.298 54.840 -0.359 0.000 0.809 359 L CB 0.074 41.612 42.059 -0.869 0.000 1.179 359 L HN 0.253 nan 8.230 nan 0.000 0.429 360 T N 6.744 121.299 114.554 0.001 0.000 2.879 360 T HA 0.743 5.136 4.350 0.072 0.000 0.290 360 T C -0.946 173.816 174.700 0.102 0.000 0.993 360 T CA -0.124 61.947 62.100 -0.049 0.000 0.975 360 T CB 0.807 69.665 68.868 -0.016 0.000 0.981 360 T HN 0.505 nan 8.240 nan 0.000 0.439 361 F N -0.423 119.568 119.950 0.068 0.000 2.779 361 F HA 0.692 5.262 4.527 0.072 0.000 0.316 361 F C -1.294 174.576 175.800 0.115 0.000 1.164 361 F CA -1.414 56.668 58.000 0.137 0.000 0.924 361 F CB 0.699 39.889 39.000 0.317 0.000 1.348 361 F HN 0.221 nan 8.300 nan 0.000 0.467 362 D N 1.556 122.187 120.400 0.385 0.000 2.283 362 D HA 0.430 5.113 4.640 0.072 0.000 0.248 362 D C -1.102 175.425 176.300 0.379 0.000 1.072 362 D CA -0.064 54.095 54.000 0.266 0.000 0.929 362 D CB 2.294 43.227 40.800 0.221 0.000 1.182 362 D HN 0.535 nan 8.370 nan 0.000 0.433 363 L N 2.850 124.246 121.223 0.289 0.000 2.366 363 L HA 0.305 4.688 4.340 0.072 0.000 0.266 363 L C -1.433 175.643 176.870 0.344 0.000 1.010 363 L CA -0.840 54.208 54.840 0.346 0.000 0.879 363 L CB 0.885 43.123 42.059 0.299 0.000 1.228 363 L HN 0.203 nan 8.230 nan 0.000 0.439 364 L N 6.245 127.668 121.223 0.333 0.000 2.326 364 L HA 0.620 5.003 4.340 0.072 0.000 0.278 364 L C -1.004 176.073 176.870 0.345 0.000 1.092 364 L CA 0.054 55.061 54.840 0.278 0.000 0.810 364 L CB 0.875 43.082 42.059 0.247 0.000 1.153 364 L HN 0.620 nan 8.230 nan 0.000 0.439 365 Y N 2.498 122.812 120.300 0.024 0.000 2.571 365 Y HA 0.553 5.145 4.550 0.071 0.000 0.341 365 Y C -0.836 174.683 175.900 -0.635 0.000 1.076 365 Y CA -1.553 56.383 58.100 -0.273 0.000 1.029 365 Y CB 0.736 39.163 38.460 -0.055 0.000 1.308 365 Y HN 0.718 nan 8.280 nan 0.000 0.461 366 N N 0.955 119.037 118.700 -1.031 0.000 2.497 366 N HA 0.083 4.866 4.740 0.072 0.000 0.271 366 N C -0.583 174.882 175.510 -0.076 0.000 1.142 366 N CA -0.235 52.409 53.050 -0.676 0.000 0.965 366 N CB 1.127 39.346 38.487 -0.448 0.000 1.077 366 N HN 0.804 nan 8.380 nan 0.000 0.462 367 T N 1.317 115.805 114.554 -0.110 0.000 2.777 367 T HA 0.074 4.467 4.350 0.072 0.000 0.273 367 T C 0.351 175.137 174.700 0.144 0.000 1.016 367 T CA 0.547 62.669 62.100 0.036 0.000 1.156 367 T CB -0.337 68.529 68.868 -0.003 0.000 1.019 367 T HN 0.740 nan 8.240 nan 0.000 0.503 368 S N 1.819 117.646 115.700 0.210 0.000 2.669 368 S HA 0.130 4.643 4.470 0.072 0.000 0.304 368 S C 0.253 174.882 174.600 0.048 0.000 1.021 368 S CA -0.834 57.418 58.200 0.087 0.000 0.854 368 S CB 1.029 64.246 63.200 0.027 0.000 1.048 368 S HN 0.589 nan 8.310 nan 0.000 0.452 369 D N 2.119 122.508 120.400 -0.018 0.000 2.097 369 D HA -0.089 4.594 4.640 0.072 0.000 0.195 369 D C 1.935 178.185 176.300 -0.083 0.000 0.989 369 D CA 1.499 55.481 54.000 -0.031 0.000 0.827 369 D CB -0.062 40.717 40.800 -0.035 0.000 0.966 369 D HN 0.442 nan 8.370 nan 0.000 0.456 370 L N 1.365 122.495 121.223 -0.155 0.000 1.989 370 L HA -0.194 4.189 4.340 0.072 0.000 0.211 370 L C 2.209 178.994 176.870 -0.142 0.000 1.071 370 L CA 1.903 56.629 54.840 -0.191 0.000 0.749 370 L CB -0.814 41.084 42.059 -0.268 0.000 0.890 370 L HN 0.082 nan 8.230 nan 0.000 0.431 371 H N -0.277 118.809 119.070 0.026 0.000 2.389 371 H HA -0.132 4.466 4.556 0.071 0.000 0.299 371 H C 2.188 177.292 175.328 -0.374 0.000 1.081 371 H CA 1.577 57.611 56.048 -0.024 0.000 1.345 371 H CB -0.238 29.577 29.762 0.089 0.000 1.393 371 H HN 0.458 nan 8.280 nan 0.000 0.520 372 K N 1.544 121.735 120.400 -0.348 0.000 2.025 372 K HA -0.111 4.252 4.320 0.072 0.000 0.207 372 K C 2.013 178.459 176.600 -0.257 0.000 1.049 372 K CA 1.170 57.129 56.287 -0.547 0.000 0.933 372 K CB 0.175 32.576 32.500 -0.166 0.000 0.714 372 K HN 0.100 nan 8.250 nan 0.000 0.438 373 K N 0.550 120.866 120.400 -0.140 0.000 2.057 373 K HA -0.096 4.267 4.320 0.072 0.000 0.207 373 K C 2.139 178.681 176.600 -0.096 0.000 1.049 373 K CA 1.467 57.695 56.287 -0.099 0.000 0.931 373 K CB -0.135 32.319 32.500 -0.078 0.000 0.714 373 K HN 0.174 nan 8.250 nan 0.000 0.440 374 L N 0.403 121.580 121.223 -0.077 0.000 2.083 374 L HA -0.161 4.222 4.340 0.072 0.000 0.209 374 L C 2.598 179.451 176.870 -0.028 0.000 1.083 374 L CA 1.090 55.909 54.840 -0.037 0.000 0.752 374 L CB -0.628 41.441 42.059 0.017 0.000 0.899 374 L HN 0.186 nan 8.230 nan 0.000 0.433 375 A N 0.342 123.119 122.820 -0.073 0.000 1.930 375 A HA -0.146 4.217 4.320 0.072 0.000 0.217 375 A C 2.232 179.742 177.584 -0.123 0.000 1.175 375 A CA 1.396 53.374 52.037 -0.098 0.000 0.627 375 A CB -0.595 18.277 19.000 -0.213 0.000 0.815 375 A HN 0.349 nan 8.150 nan 0.000 0.443 376 I N -0.351 120.148 120.570 -0.119 0.000 2.252 376 I HA -0.254 3.959 4.170 0.072 0.000 0.245 376 I C 2.954 179.017 176.117 -0.089 0.000 1.102 376 I CA 0.992 62.242 61.300 -0.083 0.000 1.385 376 I CB -0.305 37.655 38.000 -0.066 0.000 1.064 376 I HN 0.356 nan 8.210 nan 0.000 0.414 377 A N 0.374 123.134 122.820 -0.099 0.000 1.902 377 A HA -0.136 4.227 4.320 0.072 0.000 0.217 377 A C 2.423 179.910 177.584 -0.161 0.000 1.181 377 A CA 1.596 53.570 52.037 -0.105 0.000 0.623 377 A CB -0.903 18.039 19.000 -0.096 0.000 0.818 377 A HN 0.230 nan 8.150 nan 0.000 0.443 378 V N -0.123 119.651 119.914 -0.234 0.000 2.358 378 V HA -0.232 3.931 4.120 0.072 0.000 0.246 378 V C 3.054 178.898 176.094 -0.416 0.000 1.047 378 V CA 1.840 63.859 62.300 -0.469 0.000 1.035 378 V CB -1.209 30.210 31.823 -0.673 0.000 0.658 378 V HN 0.617 nan 8.190 nan 0.000 0.452 379 A N -0.543 122.154 122.820 -0.205 0.000 1.883 379 A HA -0.264 4.099 4.320 0.072 0.000 0.217 379 A C 2.577 180.159 177.584 -0.005 0.000 1.186 379 A CA 2.389 54.399 52.037 -0.044 0.000 0.624 379 A CB -0.862 18.119 19.000 -0.031 0.000 0.822 379 A HN 0.498 nan 8.150 nan 0.000 0.444 380 S N -0.585 115.090 115.700 -0.043 0.000 2.368 380 S HA -0.107 4.407 4.470 0.072 0.000 0.225 380 S C 1.906 176.503 174.600 -0.005 0.000 1.030 380 S CA 1.398 59.587 58.200 -0.019 0.000 0.999 380 S CB -0.524 62.655 63.200 -0.034 0.000 0.844 380 S HN 0.477 nan 8.310 nan 0.000 0.459 381 I N -0.136 120.402 120.570 -0.052 0.000 2.202 381 I HA -0.135 4.078 4.170 0.072 0.000 0.242 381 I C 2.179 178.347 176.117 0.084 0.000 1.091 381 I CA 0.977 62.256 61.300 -0.034 0.000 1.368 381 I CB -0.357 37.566 38.000 -0.128 0.000 1.058 381 I HN 0.410 nan 8.210 nan 0.000 0.410 382 W N 1.521 122.810 121.300 -0.018 0.000 2.388 382 W HA -0.162 4.541 4.660 0.072 0.000 0.294 382 W C 2.652 179.158 176.519 -0.021 0.000 1.212 382 W CA 0.984 58.322 57.345 -0.012 0.000 1.271 382 W CB -0.769 28.686 29.460 -0.009 0.000 1.126 382 W HN 0.087 nan 8.180 nan 0.000 0.535 383 K N 1.363 121.872 120.400 0.182 0.000 1.985 383 K HA -0.216 4.147 4.320 0.072 0.000 0.210 383 K C 2.045 178.688 176.600 0.072 0.000 1.047 383 K CA 2.287 58.625 56.287 0.085 0.000 0.932 383 K CB -0.686 31.839 32.500 0.043 0.000 0.716 383 K HN 0.012 nan 8.250 nan 0.000 0.439 384 K N -0.390 120.050 120.400 0.068 0.000 2.057 384 K HA -0.098 4.265 4.320 0.072 0.000 0.206 384 K C 1.446 178.087 176.600 0.067 0.000 1.050 384 K CA 1.757 58.076 56.287 0.053 0.000 0.935 384 K CB -0.116 32.406 32.500 0.038 0.000 0.715 384 K HN 0.119 nan 8.250 nan 0.000 0.439 385 N N 0.086 118.845 118.700 0.099 0.000 2.333 385 N HA -0.047 4.737 4.740 0.072 0.000 0.178 385 N C 1.138 176.709 175.510 0.101 0.000 1.018 385 N CA 0.726 53.840 53.050 0.106 0.000 0.882 385 N CB 0.214 38.786 38.487 0.141 0.000 0.984 385 N HN 0.202 nan 8.380 nan 0.000 0.434 386 L N -1.249 120.040 121.223 0.110 0.000 3.039 386 L HA 0.428 4.811 4.340 0.072 0.000 0.269 386 L C 0.725 177.613 176.870 0.030 0.000 1.169 386 L CA 0.458 55.335 54.840 0.062 0.000 0.986 386 L CB 0.069 42.155 42.059 0.044 0.000 1.377 386 L HN 0.198 nan 8.230 nan 0.000 0.575 387 G N 0.717 109.542 108.800 0.040 0.000 2.176 387 G HA2 -0.216 3.787 3.960 0.072 0.000 0.252 387 G HA3 -0.216 3.787 3.960 0.072 0.000 0.252 387 G C 0.205 175.098 174.900 -0.011 0.000 1.024 387 G CA 0.544 45.655 45.100 0.018 0.000 0.755 387 G HN 0.891 nan 8.290 nan 0.000 0.507 388 V N -2.516 117.386 119.914 -0.020 0.000 2.612 388 V HA 0.813 4.976 4.120 0.072 0.000 0.301 388 V C -0.083 175.954 176.094 -0.096 0.000 1.046 388 V CA -1.604 60.646 62.300 -0.084 0.000 0.946 388 V CB 1.861 33.613 31.823 -0.118 0.000 1.003 388 V HN 0.197 nan 8.190 nan 0.000 0.459 389 N N 2.855 121.455 118.700 -0.168 0.000 2.400 389 N HA 0.639 5.422 4.740 0.072 0.000 0.288 389 N C -1.059 174.236 175.510 -0.359 0.000 1.024 389 N CA -0.275 52.671 53.050 -0.175 0.000 0.894 389 N CB 2.061 40.482 38.487 -0.109 0.000 1.173 389 N HN 0.644 nan 8.380 nan 0.000 0.487 390 V N 2.255 122.000 119.914 -0.281 0.000 2.604 390 V HA 0.341 4.504 4.120 0.072 0.000 0.305 390 V C -0.412 175.598 176.094 -0.140 0.000 1.043 390 V CA -0.911 61.169 62.300 -0.368 0.000 0.888 390 V CB 1.881 33.549 31.823 -0.258 0.000 0.995 390 V HN 0.602 nan 8.190 nan 0.000 0.429 391 N N 4.019 122.670 118.700 -0.083 0.000 2.469 391 N HA 0.536 5.319 4.740 0.072 0.000 0.253 391 N C -0.981 174.574 175.510 0.075 0.000 0.970 391 N CA -0.637 52.419 53.050 0.009 0.000 0.940 391 N CB 1.364 39.866 38.487 0.024 0.000 1.128 391 N HN 0.404 nan 8.380 nan 0.000 0.503 392 L N 2.206 123.490 121.223 0.102 0.000 2.426 392 L HA 0.211 4.594 4.340 0.072 0.000 0.271 392 L C 0.175 177.152 176.870 0.178 0.000 1.169 392 L CA 0.559 55.518 54.840 0.197 0.000 0.836 392 L CB 0.329 42.532 42.059 0.240 0.000 1.112 392 L HN 0.546 nan 8.230 nan 0.000 0.465 393 E N 2.649 122.953 120.200 0.172 0.000 2.278 393 E HA 0.295 4.688 4.350 0.072 0.000 0.272 393 E C -1.213 175.216 176.600 -0.285 0.000 0.890 393 E CA -0.799 55.607 56.400 0.009 0.000 0.770 393 E CB 1.536 31.258 29.700 0.036 0.000 1.212 393 E HN 0.582 nan 8.360 nan 0.000 0.415 394 N N 2.725 121.151 118.700 -0.457 0.000 2.492 394 N HA 0.292 5.075 4.740 0.072 0.000 0.289 394 N C -0.630 174.674 175.510 -0.344 0.000 1.133 394 N CA -0.545 52.028 53.050 -0.795 0.000 0.961 394 N CB 1.977 40.019 38.487 -0.741 0.000 1.186 394 N HN 0.452 nan 8.380 nan 0.000 0.493 395 Q N -0.057 119.567 119.800 -0.292 0.000 2.379 395 Q HA 0.242 4.625 4.340 0.072 0.000 0.278 395 Q C -1.088 174.877 176.000 -0.059 0.000 1.068 395 Q CA -0.835 54.907 55.803 -0.100 0.000 0.816 395 Q CB 2.285 31.032 28.738 0.015 0.000 1.387 395 Q HN 0.538 nan 8.270 nan 0.000 0.413 396 E N 1.059 121.268 120.200 0.015 0.000 2.404 396 E HA -0.111 4.282 4.350 0.072 0.000 0.261 396 E C 0.434 177.145 176.600 0.185 0.000 1.074 396 E CA 0.136 56.584 56.400 0.081 0.000 0.917 396 E CB 0.453 30.202 29.700 0.081 0.000 0.965 396 E HN 0.725 nan 8.360 nan 0.000 0.433 397 W N 3.439 124.751 121.300 0.019 0.000 2.290 397 W HA -0.376 4.328 4.660 0.073 0.000 0.328 397 W C 1.869 178.472 176.519 0.139 0.000 1.272 397 W CA 2.174 59.575 57.345 0.094 0.000 1.262 397 W CB -0.046 29.442 29.460 0.046 0.000 1.151 397 W HN 0.584 nan 8.180 nan 0.000 0.473 398 K N -0.565 119.902 120.400 0.112 0.000 2.032 398 K HA -0.201 4.162 4.320 0.072 0.000 0.209 398 K C 1.996 178.560 176.600 -0.061 0.000 1.048 398 K CA 2.473 58.733 56.287 -0.045 0.000 0.927 398 K CB -0.467 32.069 32.500 0.060 0.000 0.712 398 K HN 0.039 nan 8.250 nan 0.000 0.441 399 T N 0.786 115.349 114.554 0.015 0.000 2.777 399 T HA -0.136 4.257 4.350 0.072 0.000 0.266 399 T C 1.364 176.066 174.700 0.003 0.000 1.040 399 T CA 1.224 63.330 62.100 0.010 0.000 1.141 399 T CB -0.400 68.488 68.868 0.034 0.000 0.868 399 T HN 0.267 nan 8.240 nan 0.000 0.444 400 F N 2.278 122.135 119.950 -0.154 0.000 2.087 400 F HA -0.134 4.435 4.527 0.071 0.000 0.299 400 F C 1.904 177.513 175.800 -0.319 0.000 1.100 400 F CA 1.215 59.086 58.000 -0.215 0.000 1.226 400 F CB -0.706 38.185 39.000 -0.182 0.000 0.983 400 F HN 0.072 nan 8.300 nan 0.000 0.479 401 L N -0.378 120.569 121.223 -0.461 0.000 2.083 401 L HA -0.211 4.172 4.340 0.072 0.000 0.209 401 L C 2.194 178.867 176.870 -0.329 0.000 1.083 401 L CA 1.514 55.997 54.840 -0.594 0.000 0.752 401 L CB -1.018 40.707 42.059 -0.558 0.000 0.899 401 L HN 0.094 nan 8.230 nan 0.000 0.433 402 D N -0.251 120.050 120.400 -0.165 0.000 2.117 402 D HA -0.142 4.542 4.640 0.072 0.000 0.197 402 D C 2.185 178.445 176.300 -0.067 0.000 0.987 402 D CA 1.602 55.575 54.000 -0.045 0.000 0.829 402 D CB -0.252 40.531 40.800 -0.028 0.000 0.961 402 D HN 0.223 nan 8.370 nan 0.000 0.460 403 T N 0.971 115.446 114.554 -0.132 0.000 2.665 403 T HA -0.173 4.220 4.350 0.072 0.000 0.268 403 T C 2.022 176.611 174.700 -0.185 0.000 1.035 403 T CA 1.228 63.257 62.100 -0.118 0.000 1.151 403 T CB -0.115 68.676 68.868 -0.128 0.000 0.862 403 T HN 0.162 nan 8.240 nan 0.000 0.438 404 R N -0.061 120.143 120.500 -0.494 0.000 2.081 404 R HA -0.079 4.304 4.340 0.072 0.000 0.235 404 R C 2.520 178.732 176.300 -0.146 0.000 1.131 404 R CA 1.273 56.969 56.100 -0.672 0.000 0.960 404 R CB -0.338 29.355 30.300 -1.011 0.000 0.856 404 R HN 0.515 nan 8.270 nan 0.000 0.436 405 H N 0.635 119.654 119.070 -0.085 0.000 2.389 405 H HA -0.060 4.538 4.556 0.071 0.000 0.299 405 H C 1.960 177.378 175.328 0.150 0.000 1.081 405 H CA 1.251 57.320 56.048 0.034 0.000 1.345 405 H CB 0.124 29.856 29.762 -0.049 0.000 1.393 405 H HN 0.358 nan 8.280 nan 0.000 0.520 406 Q N -0.393 119.521 119.800 0.189 0.000 2.224 406 Q HA -0.001 4.382 4.340 0.072 0.000 0.203 406 Q C 1.227 177.278 176.000 0.085 0.000 0.970 406 Q CA 0.755 56.633 55.803 0.126 0.000 0.865 406 Q CB 0.363 29.143 28.738 0.070 0.000 0.922 406 Q HN 0.617 nan 8.270 nan 0.000 0.445 407 G N 1.241 110.136 108.800 0.157 0.000 2.137 407 G HA2 -0.250 3.754 3.960 0.072 0.000 0.237 407 G HA3 -0.250 3.754 3.960 0.072 0.000 0.237 407 G C 0.252 175.183 174.900 0.053 0.000 1.002 407 G CA 0.421 45.483 45.100 -0.062 0.000 0.702 407 G HN 0.375 nan 8.290 nan 0.000 0.515 408 T N -0.742 113.930 114.554 0.196 0.000 3.783 408 T HA 0.589 4.982 4.350 0.072 0.000 0.262 408 T C -0.040 174.807 174.700 0.245 0.000 1.381 408 T CA 0.149 62.327 62.100 0.130 0.000 1.155 408 T CB -0.703 68.215 68.868 0.083 0.000 1.256 408 T HN 1.597 nan 8.240 nan 0.000 0.807 409 F N -1.781 118.132 119.950 -0.062 0.000 2.773 409 F HA 0.659 5.229 4.527 0.072 0.000 0.314 409 F C -1.097 174.650 175.800 -0.088 0.000 1.160 409 F CA -1.216 56.755 58.000 -0.049 0.000 0.920 409 F CB 0.761 39.726 39.000 -0.060 0.000 1.323 409 F HN -0.134 nan 8.300 nan 0.000 0.457 410 D N 0.767 121.109 120.400 -0.097 0.000 2.844 410 D HA 0.297 4.980 4.640 0.072 0.000 0.271 410 D C -0.336 175.588 176.300 -0.627 0.000 1.386 410 D CA 1.019 54.749 54.000 -0.449 0.000 1.053 410 D CB 0.477 41.207 40.800 -0.117 0.000 1.107 410 D HN 0.264 nan 8.370 nan 0.000 0.395 411 V N 0.399 120.227 119.914 -0.143 0.000 2.735 411 V HA 0.780 4.943 4.120 0.072 0.000 0.310 411 V C -0.618 175.696 176.094 0.366 0.000 1.061 411 V CA -0.909 61.419 62.300 0.046 0.000 0.913 411 V CB 1.796 33.608 31.823 -0.019 0.000 1.005 411 V HN 0.356 nan 8.190 nan 0.000 0.428 412 A N 3.556 126.589 122.820 0.354 0.000 2.435 412 A HA 0.789 5.153 4.320 0.072 0.000 0.304 412 A C -0.399 177.320 177.584 0.224 0.000 1.064 412 A CA -0.794 51.389 52.037 0.243 0.000 0.727 412 A CB 1.703 20.599 19.000 -0.173 0.000 1.284 412 A HN 0.741 nan 8.150 nan 0.000 0.415 413 R N 1.137 121.786 120.500 0.248 0.000 2.590 413 R HA 0.538 4.921 4.340 0.072 0.000 0.274 413 R C -0.443 175.662 176.300 -0.325 0.000 1.061 413 R CA 0.971 56.985 56.100 -0.144 0.000 1.081 413 R CB 0.548 30.819 30.300 -0.047 0.000 0.984 413 R HN 1.284 nan 8.270 nan 0.000 0.448 414 A N 1.926 124.260 122.820 -0.811 0.000 2.612 414 A HA 0.670 5.033 4.320 0.072 0.000 0.293 414 A C -1.103 175.965 177.584 -0.861 0.000 1.075 414 A CA -0.182 51.378 52.037 -0.795 0.000 0.680 414 A CB 1.997 20.291 19.000 -1.177 0.000 1.279 414 A HN 0.788 nan 8.150 nan 0.000 0.411 415 G N 0.079 108.695 108.800 -0.308 0.000 2.740 415 G HA2 0.541 4.544 3.960 0.072 0.000 0.296 415 G HA3 0.541 4.544 3.960 0.072 0.000 0.296 415 G C -1.356 173.704 174.900 0.267 0.000 1.439 415 G CA -0.212 44.921 45.100 0.053 0.000 1.066 415 G HN 0.937 nan 8.290 nan 0.000 0.527 416 W N 3.216 124.629 121.300 0.188 0.000 2.600 416 W HA 0.539 5.244 4.660 0.075 0.000 0.325 416 W C -1.292 175.031 176.519 -0.327 0.000 1.034 416 W CA -0.922 56.357 57.345 -0.110 0.000 1.226 416 W CB 1.877 31.164 29.460 -0.289 0.000 1.379 416 W HN 0.479 nan 8.180 nan 0.000 0.466 417 c N 4.954 123.013 118.600 -0.901 0.000 2.329 417 c HA 0.621 5.234 4.570 0.072 0.000 0.329 417 c C 0.969 174.503 174.090 -0.928 0.000 1.275 417 c CA -0.443 55.436 56.329 -0.751 0.000 1.726 417 c CB 0.288 42.439 42.510 -0.599 0.000 2.291 417 c HN 0.689 nan 8.230 nan 0.000 0.514 418 A N 2.811 125.361 122.820 -0.450 0.000 2.555 418 A HA 0.140 4.503 4.320 0.072 0.000 0.233 418 A C 0.909 178.355 177.584 -0.231 0.000 1.060 418 A CA 0.408 52.274 52.037 -0.285 0.000 0.759 418 A CB 0.233 19.209 19.000 -0.041 0.000 0.995 418 A HN 0.914 nan 8.150 nan 0.000 0.506 419 D N -0.827 119.495 120.400 -0.129 0.000 2.355 419 D HA 0.167 4.850 4.640 0.072 0.000 0.206 419 D C -0.217 176.235 176.300 0.252 0.000 1.010 419 D CA 1.470 55.527 54.000 0.095 0.000 0.875 419 D CB 0.144 41.041 40.800 0.162 0.000 0.966 419 D HN 0.690 nan 8.370 nan 0.000 0.512 420 Y N -1.824 118.519 120.300 0.072 0.000 2.544 420 Y HA 0.454 5.045 4.550 0.069 0.000 0.342 420 Y C -0.584 175.314 175.900 -0.002 0.000 1.062 420 Y CA -1.473 56.648 58.100 0.036 0.000 1.023 420 Y CB 0.554 39.026 38.460 0.021 0.000 1.308 420 Y HN -0.408 nan 8.280 nan 0.000 0.457 421 N N 3.063 121.805 118.700 0.069 0.000 2.895 421 N HA 0.145 4.928 4.740 0.072 0.000 0.277 421 N C -1.099 174.369 175.510 -0.070 0.000 1.185 421 N CA 0.471 53.507 53.050 -0.024 0.000 1.106 421 N CB -0.238 38.270 38.487 0.035 0.000 1.422 421 N HN 0.768 nan 8.380 nan 0.000 0.521 422 E N 1.786 121.852 120.200 -0.224 0.000 2.363 422 E HA 0.251 4.644 4.350 0.072 0.000 0.281 422 E C -2.328 174.008 176.600 -0.441 0.000 0.953 422 E CA -1.572 54.649 56.400 -0.298 0.000 0.778 422 E CB 1.930 31.424 29.700 -0.343 0.000 1.220 422 E HN 0.043 nan 8.360 nan 0.000 0.431 423 P HA -0.137 nan 4.420 nan 0.000 0.217 423 P C 1.187 178.125 177.300 -0.603 0.000 1.148 423 P CA 2.005 64.731 63.100 -0.624 0.000 0.828 423 P CB 0.070 31.216 31.700 -0.924 0.000 0.783 424 T N -4.497 109.671 114.554 -0.643 0.000 2.962 424 T HA -0.097 4.296 4.350 0.072 0.000 0.270 424 T C 1.982 176.468 174.700 -0.357 0.000 1.088 424 T CA 1.272 63.144 62.100 -0.380 0.000 1.127 424 T CB -1.175 67.627 68.868 -0.110 0.000 0.883 424 T HN -0.011 nan 8.240 nan 0.000 0.493 425 S N -0.134 115.216 115.700 -0.584 0.000 2.400 425 S HA -0.021 4.492 4.470 0.072 0.000 0.232 425 S C 1.321 175.773 174.600 -0.246 0.000 1.025 425 S CA 0.831 58.633 58.200 -0.663 0.000 0.993 425 S CB -0.559 61.999 63.200 -1.070 0.000 0.808 425 S HN 0.569 nan 8.310 nan 0.000 0.478 426 F N 0.864 120.574 119.950 -0.401 0.000 2.243 426 F HA 0.325 4.893 4.527 0.069 0.000 0.287 426 F C 1.956 177.520 175.800 -0.394 0.000 1.067 426 F CA 0.514 58.195 58.000 -0.532 0.000 1.304 426 F CB -0.510 38.084 39.000 -0.677 0.000 1.087 426 F HN 0.100 nan 8.300 nan 0.000 0.513 427 L N 0.048 121.237 121.223 -0.056 0.000 2.079 427 L HA -0.254 4.129 4.340 0.072 0.000 0.210 427 L C 1.947 178.877 176.870 0.100 0.000 1.081 427 L CA 1.009 55.922 54.840 0.120 0.000 0.752 427 L CB -0.691 41.381 42.059 0.022 0.000 0.896 427 L HN 0.146 nan 8.230 nan 0.000 0.433 428 N N -0.441 118.143 118.700 -0.192 0.000 2.364 428 N HA -0.150 4.633 4.740 0.072 0.000 0.183 428 N C 1.915 177.290 175.510 -0.225 0.000 1.022 428 N CA 1.772 54.632 53.050 -0.317 0.000 0.883 428 N CB -0.414 37.442 38.487 -1.052 0.000 0.965 428 N HN 0.467 nan 8.380 nan 0.000 0.438 429 T N -2.276 112.096 114.554 -0.303 0.000 3.035 429 T HA 0.024 4.417 4.350 0.072 0.000 0.268 429 T C 1.451 176.038 174.700 -0.188 0.000 1.109 429 T CA 0.633 62.549 62.100 -0.306 0.000 1.119 429 T CB -0.008 68.414 68.868 -0.743 0.000 0.900 429 T HN -0.017 nan 8.240 nan 0.000 0.503 430 M N 0.803 120.349 119.600 -0.090 0.000 2.428 430 M HA 0.408 4.931 4.480 0.072 0.000 0.239 430 M C 0.306 176.669 176.300 0.106 0.000 1.121 430 M CA -0.128 55.085 55.300 -0.146 0.000 1.019 430 M CB -0.652 31.592 32.600 -0.593 0.000 1.485 430 M HN 0.299 nan 8.290 nan 0.000 0.484 431 L N 0.196 121.567 121.223 0.247 0.000 2.485 431 L HA 0.004 4.387 4.340 0.072 0.000 0.275 431 L C 1.786 178.734 176.870 0.130 0.000 1.207 431 L CA -0.310 54.693 54.840 0.270 0.000 0.855 431 L CB 0.267 42.458 42.059 0.220 0.000 1.114 431 L HN 0.186 nan 8.230 nan 0.000 0.485 432 S N 1.107 116.863 115.700 0.093 0.000 2.372 432 S HA -0.197 4.316 4.470 0.072 0.000 0.227 432 S C 1.115 175.725 174.600 0.016 0.000 1.044 432 S CA 1.928 60.138 58.200 0.016 0.000 1.050 432 S CB -0.272 62.932 63.200 0.006 0.000 0.901 432 S HN 0.919 nan 8.310 nan 0.000 0.447 433 D N 0.507 120.930 120.400 0.039 0.000 2.395 433 D HA 0.157 4.841 4.640 0.072 0.000 0.226 433 D C 0.141 176.457 176.300 0.027 0.000 1.146 433 D CA -0.065 53.951 54.000 0.026 0.000 0.830 433 D CB -0.303 40.514 40.800 0.029 0.000 0.958 433 D HN 0.119 nan 8.370 nan 0.000 0.501 434 S N 0.333 116.058 115.700 0.040 0.000 2.531 434 S HA 0.123 4.637 4.470 0.072 0.000 0.279 434 S C 1.565 176.157 174.600 -0.014 0.000 1.305 434 S CA 0.028 58.260 58.200 0.052 0.000 1.058 434 S CB 0.794 64.048 63.200 0.090 0.000 0.899 434 S HN 0.308 nan 8.310 nan 0.000 0.493 435 S N 3.992 119.667 115.700 -0.042 0.000 2.469 435 S HA -0.099 4.414 4.470 0.072 0.000 0.238 435 S C 0.996 175.568 174.600 -0.047 0.000 0.998 435 S CA 1.223 59.382 58.200 -0.069 0.000 0.957 435 S CB -0.624 62.511 63.200 -0.108 0.000 0.764 435 S HN 0.864 nan 8.310 nan 0.000 0.514 436 N N 1.509 120.164 118.700 -0.075 0.000 2.336 436 N HA 0.120 4.903 4.740 0.072 0.000 0.189 436 N C 0.080 175.487 175.510 -0.172 0.000 1.113 436 N CA -0.053 52.927 53.050 -0.116 0.000 0.858 436 N CB -0.054 38.299 38.487 -0.223 0.000 0.970 436 N HN 0.252 nan 8.380 nan 0.000 0.471 437 N N 1.366 119.972 118.700 -0.156 0.000 2.605 437 N HA 0.000 4.783 4.740 0.072 0.000 0.258 437 N C 0.458 175.755 175.510 -0.355 0.000 1.156 437 N CA 0.231 53.148 53.050 -0.222 0.000 1.008 437 N CB 0.307 38.701 38.487 -0.155 0.000 1.354 437 N HN 0.195 nan 8.380 nan 0.000 0.509 438 T N -1.239 113.120 114.554 -0.326 0.000 3.107 438 T HA 0.171 4.565 4.350 0.072 0.000 0.249 438 T C 1.559 176.232 174.700 -0.044 0.000 1.096 438 T CA 0.276 62.172 62.100 -0.339 0.000 1.012 438 T CB 0.213 68.841 68.868 -0.400 0.000 0.977 438 T HN 0.260 nan 8.240 nan 0.000 0.527 439 A N 1.273 124.049 122.820 -0.073 0.000 2.119 439 A HA 0.024 4.387 4.320 0.072 0.000 0.217 439 A C 1.007 178.671 177.584 0.133 0.000 1.153 439 A CA 0.547 52.617 52.037 0.055 0.000 0.692 439 A CB -0.850 18.098 19.000 -0.087 0.000 0.799 439 A HN 0.746 nan 8.150 nan 0.000 0.458 440 H N -3.344 115.738 119.070 0.020 0.000 2.839 440 H HA -0.224 4.375 4.556 0.072 0.000 0.298 440 H C -0.506 174.837 175.328 0.024 0.000 1.224 440 H CA 1.052 57.107 56.048 0.011 0.000 1.144 440 H CB -1.998 27.755 29.762 -0.015 0.000 1.372 440 H HN 0.704 nan 8.280 nan 0.000 0.408 441 Y N 1.681 121.931 120.300 -0.084 0.000 2.316 441 Y HA 0.353 4.946 4.550 0.072 0.000 0.331 441 Y C -0.049 175.791 175.900 -0.101 0.000 1.083 441 Y CA -0.244 57.785 58.100 -0.118 0.000 1.206 441 Y CB 0.779 39.105 38.460 -0.223 0.000 1.195 441 Y HN 0.016 nan 8.280 nan 0.000 0.497 442 K N 5.353 125.428 120.400 -0.542 0.000 2.616 442 K HA 0.304 4.667 4.320 0.072 0.000 0.241 442 K C -1.302 174.957 176.600 -0.568 0.000 0.961 442 K CA -0.553 55.478 56.287 -0.427 0.000 0.942 442 K CB 1.596 33.985 32.500 -0.185 0.000 1.153 442 K HN 0.565 nan 8.250 nan 0.000 0.452 443 S N 3.426 118.792 115.700 -0.556 0.000 2.707 443 S HA 0.381 4.894 4.470 0.072 0.000 0.303 443 S C -2.249 172.323 174.600 -0.047 0.000 1.132 443 S CA -1.642 56.368 58.200 -0.317 0.000 1.046 443 S CB 1.288 64.297 63.200 -0.319 0.000 1.004 443 S HN 0.203 nan 8.310 nan 0.000 0.483 444 P HA 0.016 nan 4.420 nan 0.000 0.218 444 P C 1.365 178.693 177.300 0.047 0.000 1.149 444 P CA 1.176 64.284 63.100 0.013 0.000 0.817 444 P CB 0.157 31.856 31.700 -0.002 0.000 0.785 445 A N -1.113 121.744 122.820 0.062 0.000 1.873 445 A HA -0.188 4.175 4.320 0.072 0.000 0.215 445 A C 2.099 179.759 177.584 0.125 0.000 1.186 445 A CA 1.277 53.364 52.037 0.082 0.000 0.616 445 A CB -1.793 17.262 19.000 0.092 0.000 0.823 445 A HN 0.148 nan 8.150 nan 0.000 0.442 446 F N 1.335 121.314 119.950 0.048 0.000 2.102 446 F HA -0.185 4.384 4.527 0.071 0.000 0.298 446 F C 1.789 177.632 175.800 0.071 0.000 1.105 446 F CA 2.136 60.193 58.000 0.095 0.000 1.239 446 F CB -0.199 38.917 39.000 0.194 0.000 0.991 446 F HN 0.234 nan 8.300 nan 0.000 0.474 447 D N 0.438 120.946 120.400 0.180 0.000 2.123 447 D HA -0.220 4.464 4.640 0.072 0.000 0.196 447 D C 2.099 178.383 176.300 -0.026 0.000 0.992 447 D CA 1.586 55.626 54.000 0.068 0.000 0.833 447 D CB -0.418 40.442 40.800 0.100 0.000 0.954 447 D HN 0.222 nan 8.370 nan 0.000 0.455 448 K N 0.938 121.330 120.400 -0.013 0.000 2.097 448 K HA -0.034 4.329 4.320 0.072 0.000 0.205 448 K C 2.111 178.680 176.600 -0.053 0.000 1.050 448 K CA 0.732 57.008 56.287 -0.019 0.000 0.938 448 K CB -0.596 31.904 32.500 -0.001 0.000 0.718 448 K HN 0.123 nan 8.250 nan 0.000 0.442 449 L N 0.377 121.545 121.223 -0.091 0.000 2.012 449 L HA -0.199 4.184 4.340 0.072 0.000 0.210 449 L C 2.195 178.988 176.870 -0.128 0.000 1.073 449 L CA 0.951 55.723 54.840 -0.114 0.000 0.748 449 L CB -0.503 41.470 42.059 -0.143 0.000 0.891 449 L HN 0.193 nan 8.230 nan 0.000 0.431 450 I N -0.017 120.430 120.570 -0.205 0.000 2.315 450 I HA -0.204 4.009 4.170 0.072 0.000 0.248 450 I C 2.805 178.919 176.117 -0.004 0.000 1.117 450 I CA 1.513 62.749 61.300 -0.107 0.000 1.404 450 I CB -1.669 36.220 38.000 -0.185 0.000 1.071 450 I HN 0.170 nan 8.210 nan 0.000 0.419 451 A N 0.587 123.402 122.820 -0.009 0.000 1.933 451 A HA -0.202 4.161 4.320 0.072 0.000 0.218 451 A C 1.938 179.519 177.584 -0.005 0.000 1.175 451 A CA 1.758 53.806 52.037 0.020 0.000 0.628 451 A CB -0.606 18.407 19.000 0.022 0.000 0.814 451 A HN 0.330 nan 8.150 nan 0.000 0.444 452 D N -0.259 120.127 120.400 -0.022 0.000 2.218 452 D HA -0.130 4.553 4.640 0.072 0.000 0.204 452 D C 2.264 178.540 176.300 -0.040 0.000 0.976 452 D CA 1.857 55.837 54.000 -0.033 0.000 0.853 452 D CB -0.598 40.177 40.800 -0.042 0.000 0.939 452 D HN 0.651 nan 8.370 nan 0.000 0.481 453 T N -1.364 113.171 114.554 -0.032 0.000 2.803 453 T HA -0.124 4.269 4.350 0.072 0.000 0.269 453 T C 1.840 176.538 174.700 -0.003 0.000 1.052 453 T CA 0.756 62.829 62.100 -0.045 0.000 1.136 453 T CB -0.319 68.557 68.868 0.013 0.000 0.864 453 T HN 0.173 nan 8.240 nan 0.000 0.467 454 L N -0.684 120.539 121.223 0.001 0.000 2.667 454 L HA 0.386 4.769 4.340 0.072 0.000 0.232 454 L C 2.137 178.983 176.870 -0.040 0.000 1.138 454 L CA 0.107 54.934 54.840 -0.022 0.000 0.921 454 L CB 0.096 42.099 42.059 -0.093 0.000 1.180 454 L HN 0.147 nan 8.230 nan 0.000 0.487 455 K N -0.284 120.095 120.400 -0.034 0.000 2.367 455 K HA 0.093 4.456 4.320 0.072 0.000 0.194 455 K C 0.288 176.876 176.600 -0.020 0.000 1.027 455 K CA 0.042 56.313 56.287 -0.027 0.000 1.075 455 K CB 0.755 33.239 32.500 -0.027 0.000 0.845 455 K HN 0.149 nan 8.250 nan 0.000 0.529 456 V N -2.903 116.997 119.914 -0.023 0.000 2.850 456 V HA 0.747 4.910 4.120 0.072 0.000 0.315 456 V C -0.128 175.961 176.094 -0.008 0.000 1.064 456 V CA -0.933 61.355 62.300 -0.021 0.000 0.979 456 V CB 1.700 33.499 31.823 -0.040 0.000 1.039 456 V HN -0.092 nan 8.190 nan 0.000 0.452 457 A N 1.863 124.686 122.820 0.004 0.000 2.855 457 A HA 0.524 4.887 4.320 0.072 0.000 0.301 457 A C -0.095 177.500 177.584 0.018 0.000 1.076 457 A CA -0.117 51.934 52.037 0.022 0.000 1.004 457 A CB -0.625 18.403 19.000 0.048 0.000 1.152 457 A HN 0.922 nan 8.150 nan 0.000 0.531 458 D N -0.497 119.902 120.400 -0.002 0.000 2.757 458 D HA 0.245 4.928 4.640 0.072 0.000 0.249 458 D C -0.378 175.908 176.300 -0.023 0.000 1.168 458 D CA -0.274 53.723 54.000 -0.006 0.000 0.870 458 D CB 1.667 42.460 40.800 -0.013 0.000 1.411 458 D HN 0.017 nan 8.370 nan 0.000 0.525 459 D N 1.663 122.059 120.400 -0.006 0.000 2.117 459 D HA -0.106 4.578 4.640 0.072 0.000 0.197 459 D C 1.553 177.829 176.300 -0.041 0.000 0.987 459 D CA 1.280 55.275 54.000 -0.009 0.000 0.829 459 D CB 0.272 41.086 40.800 0.022 0.000 0.961 459 D HN 0.435 nan 8.370 nan 0.000 0.460 460 T N 0.616 115.152 114.554 -0.030 0.000 2.708 460 T HA -0.142 4.251 4.350 0.072 0.000 0.266 460 T C 1.952 176.609 174.700 -0.070 0.000 1.037 460 T CA 1.040 63.118 62.100 -0.037 0.000 1.146 460 T CB -0.154 68.703 68.868 -0.019 0.000 0.865 460 T HN 0.222 nan 8.240 nan 0.000 0.435 461 Q N 0.305 120.062 119.800 -0.071 0.000 2.096 461 Q HA -0.104 4.280 4.340 0.072 0.000 0.204 461 Q C 2.572 178.470 176.000 -0.171 0.000 0.982 461 Q CA 1.249 56.996 55.803 -0.092 0.000 0.850 461 Q CB -0.157 28.540 28.738 -0.068 0.000 0.901 461 Q HN 0.367 nan 8.270 nan 0.000 0.422 462 R N -0.004 120.362 120.500 -0.223 0.000 2.083 462 R HA -0.125 4.258 4.340 0.072 0.000 0.237 462 R C 2.383 178.256 176.300 -0.712 0.000 1.137 462 R CA 1.666 57.488 56.100 -0.462 0.000 0.951 462 R CB -0.060 30.036 30.300 -0.340 0.000 0.851 462 R HN 0.090 nan 8.270 nan 0.000 0.434 463 S N 0.454 115.942 115.700 -0.353 0.000 2.382 463 S HA -0.125 4.388 4.470 0.072 0.000 0.228 463 S C 1.545 176.078 174.600 -0.111 0.000 1.027 463 S CA 1.288 59.393 58.200 -0.158 0.000 0.991 463 S CB -0.093 63.096 63.200 -0.018 0.000 0.823 463 S HN 0.427 nan 8.310 nan 0.000 0.469 464 E N 0.862 120.990 120.200 -0.119 0.000 2.106 464 E HA -0.074 4.319 4.350 0.072 0.000 0.192 464 E C 1.978 178.533 176.600 -0.075 0.000 0.984 464 E CA 0.794 57.154 56.400 -0.068 0.000 0.806 464 E CB -0.252 29.414 29.700 -0.056 0.000 0.750 464 E HN 0.422 nan 8.360 nan 0.000 0.458 465 L N -0.014 121.115 121.223 -0.157 0.000 2.093 465 L HA -0.179 4.204 4.340 0.072 0.000 0.208 465 L C 2.257 179.104 176.870 -0.038 0.000 1.085 465 L CA 1.208 55.968 54.840 -0.134 0.000 0.755 465 L CB -0.416 41.521 42.059 -0.204 0.000 0.904 465 L HN 0.229 nan 8.230 nan 0.000 0.435 466 Y N -0.611 119.660 120.300 -0.049 0.000 2.200 466 Y HA -0.241 4.352 4.550 0.072 0.000 0.290 466 Y C 2.715 178.597 175.900 -0.029 0.000 1.137 466 Y CA 0.266 58.332 58.100 -0.056 0.000 1.163 466 Y CB -0.316 38.104 38.460 -0.066 0.000 0.988 466 Y HN 0.184 nan 8.280 nan 0.000 0.518 467 A N 0.852 123.751 122.820 0.132 0.000 1.908 467 A HA -0.244 4.120 4.320 0.072 0.000 0.218 467 A C 2.051 179.680 177.584 0.074 0.000 1.181 467 A CA 1.999 54.083 52.037 0.079 0.000 0.627 467 A CB -0.524 18.503 19.000 0.044 0.000 0.818 467 A HN 0.414 nan 8.150 nan 0.000 0.445 468 K N -0.290 120.143 120.400 0.055 0.000 2.148 468 K HA 0.032 4.395 4.320 0.072 0.000 0.204 468 K C 2.252 178.907 176.600 0.091 0.000 1.050 468 K CA 0.949 57.271 56.287 0.057 0.000 0.942 468 K CB -0.304 32.213 32.500 0.028 0.000 0.724 468 K HN 0.438 nan 8.250 nan 0.000 0.446 469 A N 1.853 124.723 122.820 0.084 0.000 1.902 469 A HA -0.185 4.178 4.320 0.072 0.000 0.217 469 A C 1.974 179.729 177.584 0.284 0.000 1.181 469 A CA 1.357 53.467 52.037 0.120 0.000 0.623 469 A CB -0.235 18.727 19.000 -0.063 0.000 0.818 469 A HN 0.161 nan 8.150 nan 0.000 0.443 470 E N -0.072 120.246 120.200 0.197 0.000 2.110 470 E HA -0.214 4.179 4.350 0.072 0.000 0.193 470 E C 2.190 178.881 176.600 0.151 0.000 0.988 470 E CA 1.347 57.848 56.400 0.170 0.000 0.804 470 E CB -0.342 29.422 29.700 0.106 0.000 0.745 470 E HN 0.777 nan 8.360 nan 0.000 0.458 471 Q N 0.299 120.180 119.800 0.135 0.000 2.084 471 Q HA -0.232 4.151 4.340 0.072 0.000 0.202 471 Q C 2.219 178.305 176.000 0.144 0.000 0.978 471 Q CA 1.626 57.504 55.803 0.125 0.000 0.844 471 Q CB -0.119 28.676 28.738 0.096 0.000 0.898 471 Q HN 0.110 nan 8.270 nan 0.000 0.426 472 Q N 0.659 120.569 119.800 0.184 0.000 2.084 472 Q HA -0.175 4.208 4.340 0.072 0.000 0.202 472 Q C 1.813 177.927 176.000 0.189 0.000 0.978 472 Q CA 1.158 57.092 55.803 0.217 0.000 0.844 472 Q CB -0.289 28.634 28.738 0.308 0.000 0.898 472 Q HN 0.282 nan 8.270 nan 0.000 0.426 473 L N 0.805 122.116 121.223 0.146 0.000 2.012 473 L HA -0.171 4.212 4.340 0.072 0.000 0.210 473 L C 1.900 178.728 176.870 -0.070 0.000 1.073 473 L CA 2.468 57.238 54.840 -0.117 0.000 0.748 473 L CB -0.991 40.962 42.059 -0.177 0.000 0.891 473 L HN 0.411 nan 8.230 nan 0.000 0.431 474 D N -0.902 119.524 120.400 0.044 0.000 2.117 474 D HA -0.247 4.436 4.640 0.072 0.000 0.197 474 D C 2.269 178.622 176.300 0.089 0.000 0.987 474 D CA 1.337 55.399 54.000 0.103 0.000 0.829 474 D CB -0.050 40.883 40.800 0.221 0.000 0.961 474 D HN 0.256 nan 8.370 nan 0.000 0.460 475 K N -0.090 120.370 120.400 0.101 0.000 2.063 475 K HA -0.159 4.204 4.320 0.072 0.000 0.208 475 K C 0.921 177.559 176.600 0.063 0.000 1.048 475 K CA 1.687 58.029 56.287 0.091 0.000 0.928 475 K CB 0.005 32.567 32.500 0.103 0.000 0.713 475 K HN 0.119 nan 8.250 nan 0.000 0.442 476 D N 0.262 120.702 120.400 0.066 0.000 2.355 476 D HA 0.007 4.690 4.640 0.072 0.000 0.218 476 D C -0.145 176.159 176.300 0.007 0.000 1.004 476 D CA 0.377 54.421 54.000 0.074 0.000 0.880 476 D CB 0.280 41.200 40.800 0.200 0.000 0.911 476 D HN 0.048 nan 8.370 nan 0.000 0.528 477 S N 0.052 115.727 115.700 -0.042 0.000 3.550 477 S HA -0.254 4.259 4.470 0.072 0.000 0.372 477 S C 1.436 175.966 174.600 -0.116 0.000 0.966 477 S CA 0.271 58.421 58.200 -0.083 0.000 1.229 477 S CB -1.099 62.052 63.200 -0.082 0.000 0.917 477 S HN 0.518 nan 8.310 nan 0.000 0.496 478 A N 0.396 123.072 122.820 -0.240 0.000 1.902 478 A HA 0.207 4.570 4.320 0.072 0.000 0.217 478 A C 1.012 178.448 177.584 -0.246 0.000 1.181 478 A CA 1.575 53.390 52.037 -0.370 0.000 0.623 478 A CB -0.432 17.998 19.000 -0.951 0.000 0.818 478 A HN 1.082 nan 8.150 nan 0.000 0.443 479 I N -5.755 114.688 120.570 -0.212 0.000 3.457 479 I HA 0.661 4.874 4.170 0.072 0.000 0.307 479 I C -1.016 175.126 176.117 0.042 0.000 1.138 479 I CA -1.270 59.995 61.300 -0.058 0.000 0.974 479 I CB 2.233 40.158 38.000 -0.125 0.000 1.324 479 I HN -0.248 nan 8.210 nan 0.000 0.485 480 V N 2.355 122.384 119.914 0.191 0.000 2.266 480 V HA 0.400 4.563 4.120 0.072 0.000 0.271 480 V C -2.405 173.864 176.094 0.292 0.000 1.032 480 V CA -1.505 60.947 62.300 0.253 0.000 0.806 480 V CB 0.419 32.493 31.823 0.420 0.000 1.052 480 V HN 0.578 nan 8.190 nan 0.000 0.449 481 P HA 0.169 nan 4.420 nan 0.000 0.268 481 P C 0.488 177.900 177.300 0.186 0.000 1.204 481 P CA 0.393 63.602 63.100 0.182 0.000 0.768 481 P CB 1.585 33.355 31.700 0.117 0.000 0.842 482 V N 2.654 122.630 119.914 0.103 0.000 2.870 482 V HA 0.196 4.359 4.120 0.072 0.000 0.232 482 V C -0.031 176.070 176.094 0.012 0.000 1.161 482 V CA 1.061 63.412 62.300 0.085 0.000 1.204 482 V CB -0.530 31.328 31.823 0.058 0.000 1.003 482 V HN 0.570 nan 8.190 nan 0.000 0.499 483 Y N -2.379 117.841 120.300 -0.133 0.000 2.638 483 Y HA 0.716 5.309 4.550 0.070 0.000 0.335 483 Y C -1.434 174.314 175.900 -0.253 0.000 1.155 483 Y CA -2.453 55.487 58.100 -0.267 0.000 1.046 483 Y CB 0.622 38.964 38.460 -0.196 0.000 1.303 483 Y HN 0.103 nan 8.280 nan 0.000 0.460 484 Y N 1.544 122.058 120.300 0.357 0.000 2.327 484 Y HA 0.401 4.995 4.550 0.072 0.000 0.336 484 Y C -0.357 175.864 175.900 0.535 0.000 1.035 484 Y CA -0.783 57.531 58.100 0.357 0.000 1.165 484 Y CB 0.534 39.195 38.460 0.336 0.000 1.181 484 Y HN 0.533 nan 8.280 nan 0.000 0.494 485 Y N 1.807 122.415 120.300 0.513 0.000 2.385 485 Y HA 0.267 4.860 4.550 0.072 0.000 0.346 485 Y C 0.525 176.648 175.900 0.373 0.000 1.270 485 Y CA -0.905 57.484 58.100 0.482 0.000 1.472 485 Y CB 0.347 39.026 38.460 0.366 0.000 1.354 485 Y HN 0.357 nan 8.280 nan 0.000 0.611 486 V N -0.164 120.018 119.914 0.447 0.000 2.732 486 V HA 0.473 4.636 4.120 0.072 0.000 0.310 486 V C -0.340 175.981 176.094 0.379 0.000 1.053 486 V CA -1.327 61.159 62.300 0.310 0.000 0.957 486 V CB 1.827 33.716 31.823 0.110 0.000 1.018 486 V HN 0.734 nan 8.190 nan 0.000 0.452 487 N N 2.543 121.350 118.700 0.178 0.000 2.602 487 N HA 0.522 5.305 4.740 0.072 0.000 0.238 487 N C -0.385 175.083 175.510 -0.070 0.000 1.084 487 N CA 0.143 53.108 53.050 -0.142 0.000 0.952 487 N CB 0.662 38.808 38.487 -0.568 0.000 1.244 487 N HN 1.153 nan 8.380 nan 0.000 0.512 488 A N 4.195 126.995 122.820 -0.034 0.000 2.273 488 A HA 0.754 5.118 4.320 0.072 0.000 0.315 488 A C -0.124 177.422 177.584 -0.064 0.000 1.256 488 A CA -0.713 51.312 52.037 -0.019 0.000 0.851 488 A CB 0.598 19.579 19.000 -0.032 0.000 1.172 488 A HN 0.801 nan 8.150 nan 0.000 0.508 489 R N 1.489 121.940 120.500 -0.081 0.000 2.766 489 R HA 0.802 5.185 4.340 0.072 0.000 0.270 489 R C -1.738 174.429 176.300 -0.222 0.000 1.035 489 R CA -0.980 55.020 56.100 -0.167 0.000 0.911 489 R CB 1.011 31.167 30.300 -0.241 0.000 1.243 489 R HN 0.396 nan 8.270 nan 0.000 0.460 490 L N 1.169 122.169 121.223 -0.372 0.000 2.317 490 L HA 0.707 5.090 4.340 0.072 0.000 0.281 490 L C -0.829 175.776 176.870 -0.442 0.000 1.024 490 L CA -1.338 53.164 54.840 -0.562 0.000 0.810 490 L CB 2.057 43.375 42.059 -1.234 0.000 1.240 490 L HN 0.332 nan 8.230 nan 0.000 0.427 491 V N 2.823 122.591 119.914 -0.244 0.000 2.577 491 V HA 0.343 4.506 4.120 0.072 0.000 0.303 491 V C -0.045 175.960 176.094 -0.149 0.000 1.042 491 V CA -1.110 61.087 62.300 -0.172 0.000 0.872 491 V CB 1.987 33.635 31.823 -0.292 0.000 0.998 491 V HN 0.593 nan 8.190 nan 0.000 0.423 492 K N 4.818 125.022 120.400 -0.327 0.000 2.380 492 K HA 0.186 4.549 4.320 0.072 0.000 0.267 492 K C -1.636 174.484 176.600 -0.801 0.000 0.990 492 K CA -1.611 54.148 56.287 -0.880 0.000 0.946 492 K CB 0.917 32.378 32.500 -1.732 0.000 0.937 492 K HN 0.298 nan 8.250 nan 0.000 0.491 493 P HA -0.111 nan 4.420 nan 0.000 0.222 493 P C 0.629 177.796 177.300 -0.221 0.000 1.147 493 P CA 1.153 64.046 63.100 -0.344 0.000 0.790 493 P CB -0.058 31.534 31.700 -0.180 0.000 0.780 494 W N -1.818 119.359 121.300 -0.205 0.000 3.256 494 W HA 0.313 5.017 4.660 0.072 0.000 0.269 494 W C -0.466 175.949 176.519 -0.173 0.000 1.310 494 W CA -0.232 56.995 57.345 -0.197 0.000 1.673 494 W CB -1.229 27.972 29.460 -0.432 0.000 1.115 494 W HN -0.386 nan 8.180 nan 0.000 0.686 495 V N 3.106 122.879 119.914 -0.236 0.000 2.389 495 V HA 0.592 4.755 4.120 0.072 0.000 0.264 495 V C 0.907 176.829 176.094 -0.287 0.000 1.049 495 V CA -0.242 61.936 62.300 -0.202 0.000 0.932 495 V CB -0.006 31.674 31.823 -0.239 0.000 1.011 495 V HN 0.210 nan 8.190 nan 0.000 0.475 496 G N 2.652 111.107 108.800 -0.575 0.000 2.461 496 G HA2 0.569 4.573 3.960 0.072 0.000 0.329 496 G HA3 0.569 4.573 3.960 0.072 0.000 0.329 496 G C 0.800 175.217 174.900 -0.804 0.000 1.170 496 G CA 0.024 44.582 45.100 -0.904 0.000 0.935 496 G HN 1.458 nan 8.290 nan 0.000 0.492 497 G N -1.480 107.124 108.800 -0.327 0.000 2.175 497 G HA2 -0.256 3.747 3.960 0.072 0.000 0.244 497 G HA3 -0.256 3.747 3.960 0.072 0.000 0.244 497 G C 0.140 175.079 174.900 0.066 0.000 0.982 497 G CA 0.645 45.744 45.100 -0.001 0.000 0.641 497 G HN 1.168 nan 8.290 nan 0.000 0.527 498 Y N 2.610 122.857 120.300 -0.090 0.000 2.454 498 Y HA 0.456 5.065 4.550 0.099 0.000 0.345 498 Y C 1.781 177.650 175.900 -0.050 0.000 0.970 498 Y CA 0.524 58.584 58.100 -0.066 0.000 1.204 498 Y CB 1.058 39.458 38.460 -0.100 0.000 1.122 498 Y HN 0.244 nan 8.280 nan 0.000 0.514 499 T N 0.659 115.023 114.554 -0.317 0.000 2.978 499 T HA 0.140 4.533 4.350 0.072 0.000 0.262 499 T C 1.651 176.124 174.700 -0.377 0.000 1.063 499 T CA 0.762 62.718 62.100 -0.242 0.000 1.140 499 T CB -0.308 68.474 68.868 -0.143 0.000 0.886 499 T HN 1.208 nan 8.240 nan 0.000 0.470 500 G N 1.574 109.941 108.800 -0.721 0.000 2.179 500 G HA2 -0.272 3.731 3.960 0.072 0.000 0.260 500 G HA3 -0.272 3.731 3.960 0.072 0.000 0.260 500 G C 0.962 175.693 174.900 -0.282 0.000 0.977 500 G CA 0.470 45.239 45.100 -0.552 0.000 0.641 500 G HN 0.522 nan 8.290 nan 0.000 0.533 501 K N 0.237 120.501 120.400 -0.228 0.000 2.365 501 K HA 0.032 4.395 4.320 0.072 0.000 0.197 501 K C 0.567 177.097 176.600 -0.117 0.000 1.042 501 K CA 0.429 56.637 56.287 -0.131 0.000 0.987 501 K CB 0.163 32.606 32.500 -0.094 0.000 0.779 501 K HN 0.453 nan 8.250 nan 0.000 0.484 502 D N 2.471 122.786 120.400 -0.142 0.000 2.352 502 D HA 0.036 4.719 4.640 0.072 0.000 0.245 502 D C -1.585 174.698 176.300 -0.028 0.000 1.224 502 D CA -2.286 51.665 54.000 -0.082 0.000 0.879 502 D CB 1.315 42.075 40.800 -0.067 0.000 1.057 502 D HN -0.071 nan 8.370 nan 0.000 0.491 503 P HA -0.054 nan 4.420 nan 0.000 0.234 503 P C 1.210 178.632 177.300 0.204 0.000 1.167 503 P CA 0.498 63.674 63.100 0.127 0.000 0.763 503 P CB 0.414 32.196 31.700 0.136 0.000 0.835 504 L N -1.008 120.291 121.223 0.128 0.000 2.477 504 L HA 0.124 4.507 4.340 0.072 0.000 0.220 504 L C 0.592 177.551 176.870 0.148 0.000 1.106 504 L CA 0.309 55.233 54.840 0.139 0.000 0.851 504 L CB -0.952 41.155 42.059 0.081 0.000 0.994 504 L HN -0.001 nan 8.230 nan 0.000 0.462 505 D N 1.146 121.575 120.400 0.049 0.000 2.723 505 D HA -0.197 4.487 4.640 0.072 0.000 0.236 505 D C -0.024 176.270 176.300 -0.011 0.000 1.138 505 D CA 0.253 54.233 54.000 -0.034 0.000 0.676 505 D CB -0.939 39.773 40.800 -0.147 0.000 1.069 505 D HN 0.132 nan 8.370 nan 0.000 0.430 506 N N 1.242 119.943 118.700 0.002 0.000 3.124 506 N HA 0.096 4.879 4.740 0.072 0.000 0.284 506 N C 0.035 175.486 175.510 -0.098 0.000 1.209 506 N CA -0.133 52.885 53.050 -0.054 0.000 1.149 506 N CB 0.085 38.594 38.487 0.037 0.000 1.434 506 N HN 0.336 nan 8.380 nan 0.000 0.529 507 I N 1.688 122.195 120.570 -0.105 0.000 2.575 507 I HA 0.105 4.318 4.170 0.072 0.000 0.285 507 I C 0.181 176.182 176.117 -0.193 0.000 1.085 507 I CA -0.527 60.763 61.300 -0.016 0.000 1.403 507 I CB -0.209 37.835 38.000 0.073 0.000 1.409 507 I HN 0.182 nan 8.210 nan 0.000 0.557 508 Y N 4.092 124.435 120.300 0.073 0.000 2.328 508 Y HA 0.283 4.872 4.550 0.065 0.000 0.336 508 Y C 1.072 177.021 175.900 0.082 0.000 0.960 508 Y CA -0.620 57.523 58.100 0.071 0.000 1.134 508 Y CB 1.665 40.170 38.460 0.075 0.000 1.166 508 Y HN 0.260 nan 8.280 nan 0.000 0.464 509 V N 3.127 123.141 119.914 0.165 0.000 2.913 509 V HA -0.260 3.903 4.120 0.072 0.000 0.260 509 V C 2.026 178.273 176.094 0.255 0.000 1.098 509 V CA 1.945 64.302 62.300 0.095 0.000 1.121 509 V CB -0.522 31.195 31.823 -0.176 0.000 0.714 509 V HN 0.787 nan 8.190 nan 0.000 0.487 510 K N 0.222 120.846 120.400 0.374 0.000 2.442 510 K HA -0.122 4.241 4.320 0.072 0.000 0.198 510 K C 1.164 177.878 176.600 0.190 0.000 1.042 510 K CA 1.411 57.856 56.287 0.264 0.000 0.958 510 K CB -0.233 32.330 32.500 0.105 0.000 0.766 510 K HN 0.397 nan 8.250 nan 0.000 0.474 511 N N 0.633 119.457 118.700 0.207 0.000 2.280 511 N HA 0.158 4.941 4.740 0.072 0.000 0.192 511 N C 0.142 175.782 175.510 0.217 0.000 1.109 511 N CA 0.168 53.332 53.050 0.191 0.000 0.855 511 N CB 0.307 38.906 38.487 0.187 0.000 0.974 511 N HN 0.174 nan 8.380 nan 0.000 0.482 512 L N 0.422 121.758 121.223 0.188 0.000 2.400 512 L HA 0.439 4.822 4.340 0.072 0.000 0.264 512 L C -0.611 176.391 176.870 0.220 0.000 1.061 512 L CA -1.093 53.817 54.840 0.117 0.000 0.799 512 L CB 0.788 42.869 42.059 0.036 0.000 1.240 512 L HN 0.100 nan 8.230 nan 0.000 0.461 513 Y N -1.240 119.113 120.300 0.088 0.000 2.592 513 Y HA 0.604 5.186 4.550 0.052 0.000 0.334 513 Y C -1.184 174.783 175.900 0.112 0.000 1.136 513 Y CA -1.453 56.701 58.100 0.091 0.000 1.042 513 Y CB 0.907 39.415 38.460 0.081 0.000 1.325 513 Y HN 0.094 nan 8.280 nan 0.000 0.457 514 I N 4.109 124.844 120.570 0.276 0.000 2.321 514 I HA 0.350 4.564 4.170 0.072 0.000 0.291 514 I C 0.068 176.375 176.117 0.317 0.000 0.998 514 I CA -1.205 60.249 61.300 0.258 0.000 1.227 514 I CB 1.001 39.133 38.000 0.219 0.000 1.368 514 I HN 0.651 nan 8.210 nan 0.000 0.466 515 I N 5.085 125.860 120.570 0.341 0.000 2.519 515 I HA 0.116 4.329 4.170 0.072 0.000 0.287 515 I C 0.978 177.277 176.117 0.303 0.000 1.047 515 I CA -0.572 60.921 61.300 0.322 0.000 1.381 515 I CB 0.513 38.695 38.000 0.304 0.000 1.417 515 I HN 0.494 nan 8.210 nan 0.000 0.540 516 K N 6.303 126.810 120.400 0.179 0.000 2.491 516 K HA -0.002 4.361 4.320 0.072 0.000 0.279 516 K C -0.397 176.271 176.600 0.114 0.000 1.026 516 K CA 0.433 56.764 56.287 0.073 0.000 1.070 516 K CB 0.224 32.735 32.500 0.018 0.000 0.887 516 K HN 0.674 nan 8.250 nan 0.000 0.481 517 H N 0.000 118.993 119.070 -0.129 0.000 2.539 517 H HA 0.000 4.600 4.556 0.073 0.000 0.296 517 H CA 0.000 55.959 56.048 -0.149 0.000 1.023 517 H CB 0.000 29.639 29.762 -0.206 0.000 1.292 517 H HN 0.000 nan 8.280 nan 0.000 0.496