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 1yy5_1_A DATA FIRST_RESID 6 DATA SEQUENCE PAKKKVIIIG AGIAGLKAAS TLHQNGIQDC LVLEARDRVG GRLQTVTGYQ DATA SEQUENCE GRKYDIGASW HHDTLTNPLF LEEAQLSLND GRTRFVFDDD NFIYIDEERG DATA SEQUENCE RVDHDKELLL EIVDNEMSKF AELEFHQHLG VSDCSFFQLV MKYLLQRRQF DATA SEQUENCE LTNDQIRYLP QLCRYLELWH GLDWKLLSAK DTYFGHQGRN AFALNYDSVV DATA SEQUENCE QRIAQSFPQN WLKLScEVKS ITREPSKNVT VNcEDGTVYN ADYVIITVPQ DATA SEQUENCE SVLNLSVQPE KNLRGRIEFQ PPLKPVIQDA FDKIHFGALG KVIFEFEECC DATA SEQUENCE WSNESSKIVT LANSTNEFVE IVRNAENLDE LDSMLERXXX XXXTSVTCWS DATA SEQUENCE QPLFFVNLSK STGVASFMML MQAPLTNHIE SIREDKERLF SFFQPVLNKI DATA SEQUENCE MKCLDSEDVI DGMRPIENIA NANKPVLRNI IVSNWTRDPY SRGAYSACFP DATA SEQUENCE XXXXVDMVVA MSNGQDSRIR FAGEHTIMDG AGCAYGAWES GRREATRISD DATA SEQUENCE LLKLEHHH 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 6 P HA 0.000 nan 4.420 nan 0.000 0.216 6 P C 0.000 177.270 177.300 -0.050 0.000 1.155 6 P CA 0.000 63.054 63.100 -0.077 0.000 0.800 6 P CB 0.000 31.670 31.700 -0.049 0.000 0.726 7 A N 3.169 125.947 122.820 -0.069 0.000 2.573 7 A HA 0.213 4.532 4.320 -0.001 0.000 0.250 7 A C 0.524 178.153 177.584 0.074 0.000 1.049 7 A CA 0.489 52.538 52.037 0.021 0.000 0.767 7 A CB 0.243 19.291 19.000 0.080 0.000 0.965 7 A HN 0.289 nan 8.150 nan 0.000 0.514 8 K N 2.626 123.052 120.400 0.044 0.000 2.205 8 K HA 0.443 4.762 4.320 -0.001 0.000 0.279 8 K C -0.279 176.330 176.600 0.015 0.000 1.027 8 K CA -0.132 56.170 56.287 0.026 0.000 0.932 8 K CB 1.185 33.692 32.500 0.012 0.000 1.032 8 K HN 0.683 nan 8.250 nan 0.000 0.466 9 K N 2.459 122.851 120.400 -0.014 0.000 2.527 9 K HA 0.223 4.543 4.320 -0.001 0.000 0.260 9 K C 0.403 176.958 176.600 -0.073 0.000 0.937 9 K CA -0.807 55.438 56.287 -0.070 0.000 0.826 9 K CB 1.801 34.222 32.500 -0.132 0.000 1.359 9 K HN 0.144 nan 8.250 nan 0.000 0.434 10 K N 0.216 120.560 120.400 -0.093 0.000 1.984 10 K HA 0.034 4.354 4.320 -0.001 0.000 0.209 10 K C 0.442 177.019 176.600 -0.038 0.000 1.046 10 K CA 1.162 57.421 56.287 -0.047 0.000 0.934 10 K CB 0.234 32.697 32.500 -0.062 0.000 0.717 10 K HN 0.353 nan 8.250 nan 0.000 0.438 11 V N 1.323 121.144 119.914 -0.155 0.000 2.686 11 V HA 0.330 4.450 4.120 -0.001 0.000 0.306 11 V C -1.054 174.887 176.094 -0.254 0.000 1.065 11 V CA -0.911 61.296 62.300 -0.154 0.000 0.894 11 V CB 2.142 33.859 31.823 -0.176 0.000 1.004 11 V HN 0.015 nan 8.190 nan 0.000 0.424 12 I N 5.356 125.809 120.570 -0.195 0.000 2.362 12 I HA 0.504 4.674 4.170 -0.001 0.000 0.289 12 I C -0.319 175.683 176.117 -0.191 0.000 0.994 12 I CA -0.396 60.761 61.300 -0.238 0.000 1.158 12 I CB 1.690 39.560 38.000 -0.216 0.000 1.315 12 I HN 0.482 nan 8.210 nan 0.000 0.451 13 I N 6.887 127.332 120.570 -0.208 0.000 2.330 13 I HA 0.328 4.498 4.170 -0.001 0.000 0.289 13 I C -0.263 175.785 176.117 -0.115 0.000 1.001 13 I CA -0.737 60.475 61.300 -0.147 0.000 1.193 13 I CB 1.473 39.380 38.000 -0.155 0.000 1.345 13 I HN 0.286 nan 8.210 nan 0.000 0.461 14 I N 5.916 126.442 120.570 -0.073 0.000 2.325 14 I HA 0.588 4.758 4.170 -0.001 0.000 0.291 14 I C 0.689 176.802 176.117 -0.006 0.000 1.019 14 I CA 0.150 61.421 61.300 -0.048 0.000 1.302 14 I CB 0.784 38.768 38.000 -0.028 0.000 1.401 14 I HN 0.775 nan 8.210 nan 0.000 0.485 15 G N 4.559 113.351 108.800 -0.013 0.000 3.067 15 G HA2 0.255 4.215 3.960 -0.001 0.000 0.686 15 G HA3 0.255 4.215 3.960 -0.001 0.000 0.686 15 G C -0.356 174.563 174.900 0.032 0.000 1.119 15 G CA -0.458 44.653 45.100 0.019 0.000 0.790 15 G HN 1.009 nan 8.290 nan 0.000 0.605 16 A N 1.653 124.503 122.820 0.050 0.000 2.965 16 A HA 0.790 5.110 4.320 -0.001 0.000 0.304 16 A C 1.333 178.977 177.584 0.100 0.000 1.214 16 A CA 1.104 53.191 52.037 0.084 0.000 0.977 16 A CB -0.202 18.855 19.000 0.095 0.000 1.127 16 A HN 2.147 nan 8.150 nan 0.000 0.572 17 G N -0.703 108.152 108.800 0.092 0.000 2.508 17 G HA2 0.363 4.323 3.960 -0.001 0.000 0.278 17 G HA3 0.363 4.323 3.960 -0.001 0.000 0.278 17 G C 0.939 175.902 174.900 0.104 0.000 1.389 17 G CA -0.206 44.948 45.100 0.091 0.000 1.050 17 G HN 0.352 nan 8.290 nan 0.000 0.522 18 I N -0.097 120.532 120.570 0.098 0.000 2.567 18 I HA -0.085 4.084 4.170 -0.001 0.000 0.257 18 I C 2.706 178.912 176.117 0.149 0.000 1.184 18 I CA 1.623 63.013 61.300 0.150 0.000 1.451 18 I CB 0.064 38.157 38.000 0.155 0.000 1.089 18 I HN 0.429 nan 8.210 nan 0.000 0.441 19 A N 0.157 123.037 122.820 0.100 0.000 1.854 19 A HA -0.004 4.316 4.320 -0.001 0.000 0.214 19 A C 2.371 179.967 177.584 0.020 0.000 1.192 19 A CA 1.317 53.387 52.037 0.055 0.000 0.611 19 A CB -1.527 17.507 19.000 0.056 0.000 0.832 19 A HN 0.442 nan 8.150 nan 0.000 0.442 20 G N -0.321 108.502 108.800 0.037 0.000 2.432 20 G HA2 -0.120 3.839 3.960 -0.001 0.000 0.219 20 G HA3 -0.120 3.839 3.960 -0.001 0.000 0.219 20 G C 1.530 176.437 174.900 0.011 0.000 1.135 20 G CA 0.955 46.058 45.100 0.006 0.000 0.767 20 G HN 0.396 nan 8.290 nan 0.000 0.550 21 L N -0.235 121.048 121.223 0.099 0.000 2.141 21 L HA 0.013 4.352 4.340 -0.001 0.000 0.209 21 L C 2.728 179.708 176.870 0.183 0.000 1.094 21 L CA 1.288 56.259 54.840 0.218 0.000 0.763 21 L CB -0.172 42.056 42.059 0.281 0.000 0.908 21 L HN 0.192 nan 8.230 nan 0.000 0.437 22 K N 0.533 120.979 120.400 0.076 0.000 2.167 22 K HA 0.005 4.324 4.320 -0.001 0.000 0.203 22 K C 1.928 178.460 176.600 -0.114 0.000 1.052 22 K CA 1.190 57.452 56.287 -0.042 0.000 0.956 22 K CB -0.099 32.226 32.500 -0.292 0.000 0.735 22 K HN 0.163 nan 8.250 nan 0.000 0.451 23 A N 0.916 123.669 122.820 -0.112 0.000 1.845 23 A HA -0.033 4.286 4.320 -0.001 0.000 0.215 23 A C 2.431 179.939 177.584 -0.126 0.000 1.195 23 A CA 2.112 54.070 52.037 -0.131 0.000 0.616 23 A CB -1.356 17.573 19.000 -0.119 0.000 0.832 23 A HN 0.386 nan 8.150 nan 0.000 0.443 24 A N -0.731 121.974 122.820 -0.193 0.000 1.917 24 A HA -0.183 4.137 4.320 -0.001 0.000 0.219 24 A C 2.504 180.006 177.584 -0.137 0.000 1.182 24 A CA 2.537 54.408 52.037 -0.276 0.000 0.633 24 A CB -1.175 17.345 19.000 -0.799 0.000 0.819 24 A HN 0.643 nan 8.150 nan 0.000 0.448 25 S N -1.102 114.562 115.700 -0.060 0.000 2.359 25 S HA -0.197 4.273 4.470 -0.001 0.000 0.222 25 S C 2.116 176.786 174.600 0.115 0.000 1.038 25 S CA 2.469 60.802 58.200 0.221 0.000 1.051 25 S CB -0.813 62.552 63.200 0.276 0.000 0.944 25 S HN 0.635 nan 8.310 nan 0.000 0.433 26 T N 3.200 117.763 114.554 0.015 0.000 2.635 26 T HA -0.114 4.235 4.350 -0.001 0.000 0.267 26 T C 1.773 176.481 174.700 0.012 0.000 1.040 26 T CA 1.770 63.855 62.100 -0.024 0.000 1.156 26 T CB -0.676 68.134 68.868 -0.096 0.000 0.863 26 T HN 0.335 nan 8.240 nan 0.000 0.430 27 L N 0.072 121.317 121.223 0.036 0.000 1.978 27 L HA -0.250 4.090 4.340 -0.001 0.000 0.218 27 L C 2.585 179.573 176.870 0.195 0.000 1.075 27 L CA 2.115 57.010 54.840 0.092 0.000 0.767 27 L CB -0.787 41.337 42.059 0.109 0.000 0.890 27 L HN 0.512 nan 8.230 nan 0.000 0.434 28 H N -0.173 118.979 119.070 0.136 0.000 2.290 28 H HA -0.264 4.291 4.556 -0.001 0.000 0.298 28 H C 2.305 177.631 175.328 -0.002 0.000 1.087 28 H CA 1.948 58.004 56.048 0.014 0.000 1.291 28 H CB 0.106 29.763 29.762 -0.175 0.000 1.369 28 H HN 0.383 nan 8.280 nan 0.000 0.492 29 Q N 0.247 119.986 119.800 -0.102 0.000 2.368 29 Q HA -0.143 4.196 4.340 -0.001 0.000 0.210 29 Q C 0.689 176.625 176.000 -0.108 0.000 0.982 29 Q CA 1.427 57.126 55.803 -0.173 0.000 0.884 29 Q CB 0.119 28.814 28.738 -0.072 0.000 0.933 29 Q HN 0.450 nan 8.270 nan 0.000 0.460 30 N N -1.094 117.577 118.700 -0.049 0.000 2.230 30 N HA 0.151 4.891 4.740 -0.001 0.000 0.202 30 N C -0.030 175.464 175.510 -0.027 0.000 1.119 30 N CA 0.755 53.783 53.050 -0.036 0.000 0.851 30 N CB 1.204 39.673 38.487 -0.030 0.000 0.990 30 N HN 0.327 nan 8.380 nan 0.000 0.497 31 G N 0.319 109.109 108.800 -0.017 0.000 2.160 31 G HA2 -0.217 3.742 3.960 -0.001 0.000 0.244 31 G HA3 -0.217 3.742 3.960 -0.001 0.000 0.244 31 G C -0.366 174.558 174.900 0.041 0.000 1.022 31 G CA -0.308 44.795 45.100 0.005 0.000 0.741 31 G HN 0.155 nan 8.290 nan 0.000 0.508 32 I N 0.673 121.310 120.570 0.112 0.000 2.331 32 I HA 0.410 4.580 4.170 -0.001 0.000 0.292 32 I C 0.628 176.923 176.117 0.297 0.000 0.998 32 I CA -0.403 60.969 61.300 0.121 0.000 1.267 32 I CB 1.068 39.111 38.000 0.070 0.000 1.386 32 I HN 0.290 nan 8.210 nan 0.000 0.476 33 Q N 3.765 123.689 119.800 0.207 0.000 2.333 33 Q HA 0.378 4.717 4.340 -0.001 0.000 0.266 33 Q C -0.940 175.130 176.000 0.115 0.000 1.053 33 Q CA -0.867 55.126 55.803 0.316 0.000 0.890 33 Q CB 1.582 30.445 28.738 0.208 0.000 1.337 33 Q HN 0.489 nan 8.270 nan 0.000 0.474 34 D N 0.030 120.496 120.400 0.109 0.000 2.990 34 D HA -0.138 4.501 4.640 -0.001 0.000 0.245 34 D C -1.205 174.862 176.300 -0.390 0.000 1.120 34 D CA 0.476 54.416 54.000 -0.100 0.000 0.838 34 D CB -1.501 39.273 40.800 -0.043 0.000 1.000 34 D HN 0.398 nan 8.370 nan 0.000 0.420 35 C N 0.538 119.271 119.300 -0.945 0.000 2.971 35 C HA 0.816 5.275 4.460 -0.001 0.000 0.310 35 C C -0.191 174.099 174.990 -1.167 0.000 1.285 35 C CA -0.766 57.537 59.018 -1.192 0.000 1.593 35 C CB 2.019 28.694 27.740 -1.775 0.000 2.076 35 C HN 0.448 nan 8.230 nan 0.000 0.472 36 L N 1.332 122.105 121.223 -0.750 0.000 2.434 36 L HA 0.725 5.065 4.340 -0.001 0.000 0.260 36 L C -0.856 175.798 176.870 -0.360 0.000 0.983 36 L CA -0.255 54.282 54.840 -0.505 0.000 0.820 36 L CB 2.165 43.913 42.059 -0.519 0.000 1.361 36 L HN 0.480 nan 8.230 nan 0.000 0.410 37 V N 4.447 124.240 119.914 -0.202 0.000 2.325 37 V HA 0.429 4.548 4.120 -0.001 0.000 0.280 37 V C -0.327 175.713 176.094 -0.090 0.000 1.016 37 V CA -0.531 61.700 62.300 -0.115 0.000 0.818 37 V CB 1.389 33.216 31.823 0.007 0.000 1.019 37 V HN 0.461 nan 8.190 nan 0.000 0.434 38 L N 4.283 125.432 121.223 -0.123 0.000 2.261 38 L HA 0.634 4.973 4.340 -0.001 0.000 0.289 38 L C -0.012 176.816 176.870 -0.069 0.000 1.059 38 L CA -0.220 54.558 54.840 -0.103 0.000 0.816 38 L CB 1.040 43.019 42.059 -0.132 0.000 1.191 38 L HN 0.582 nan 8.230 nan 0.000 0.431 39 E N 2.477 122.645 120.200 -0.054 0.000 2.199 39 E HA 0.508 4.858 4.350 -0.001 0.000 0.265 39 E C 0.221 176.749 176.600 -0.119 0.000 0.882 39 E CA -0.343 56.019 56.400 -0.063 0.000 0.759 39 E CB 2.075 31.768 29.700 -0.011 0.000 1.148 39 E HN 0.533 nan 8.360 nan 0.000 0.412 40 A N 5.101 127.776 122.820 -0.241 0.000 1.930 40 A HA 0.015 4.335 4.320 -0.001 0.000 0.217 40 A C 0.982 178.389 177.584 -0.295 0.000 1.175 40 A CA 0.857 52.640 52.037 -0.423 0.000 0.627 40 A CB -0.250 18.104 19.000 -1.075 0.000 0.815 40 A HN 0.625 nan 8.150 nan 0.000 0.443 41 R N 0.275 120.670 120.500 -0.175 0.000 2.738 41 R HA 0.239 4.579 4.340 -0.001 0.000 0.275 41 R C 0.062 176.364 176.300 0.004 0.000 1.121 41 R CA 0.264 56.358 56.100 -0.011 0.000 1.207 41 R CB 0.105 30.448 30.300 0.072 0.000 1.141 41 R HN 0.445 nan 8.270 nan 0.000 0.571 42 D N 0.215 120.635 120.400 0.033 0.000 2.434 42 D HA 0.012 4.651 4.640 -0.001 0.000 0.232 42 D C -0.190 176.131 176.300 0.034 0.000 1.166 42 D CA -0.198 53.819 54.000 0.028 0.000 0.830 42 D CB -0.083 40.735 40.800 0.030 0.000 0.960 42 D HN 0.486 nan 8.370 nan 0.000 0.497 43 R N -1.699 118.827 120.500 0.043 0.000 2.747 43 R HA 0.603 4.943 4.340 -0.001 0.000 0.272 43 R C -1.034 175.304 176.300 0.063 0.000 1.032 43 R CA -1.100 55.031 56.100 0.052 0.000 0.896 43 R CB 0.912 31.248 30.300 0.060 0.000 1.253 43 R HN -0.089 nan 8.270 nan 0.000 0.461 44 V N -2.239 117.717 119.914 0.069 0.000 3.096 44 V HA 0.890 5.009 4.120 -0.001 0.000 0.319 44 V C 0.812 176.963 176.094 0.094 0.000 1.082 44 V CA 0.394 62.745 62.300 0.084 0.000 1.022 44 V CB 0.858 32.734 31.823 0.089 0.000 1.103 44 V HN 1.221 nan 8.190 nan 0.000 0.455 45 G N -0.343 108.517 108.800 0.101 0.000 2.436 45 G HA2 0.159 4.119 3.960 -0.001 0.000 0.204 45 G HA3 0.159 4.119 3.960 -0.001 0.000 0.204 45 G C 1.608 176.565 174.900 0.095 0.000 1.026 45 G CA 0.771 45.928 45.100 0.095 0.000 0.658 45 G HN 2.632 nan 8.290 nan 0.000 0.499 46 G N 0.708 109.587 108.800 0.132 0.000 2.634 46 G HA2 -0.407 3.553 3.960 -0.001 0.000 0.318 46 G HA3 -0.407 3.553 3.960 -0.001 0.000 0.318 46 G C 0.918 175.906 174.900 0.148 0.000 1.207 46 G CA 1.467 46.658 45.100 0.151 0.000 0.987 46 G HN 1.202 nan 8.290 nan 0.000 0.547 47 R N 0.181 120.651 120.500 -0.051 0.000 2.346 47 R HA 0.252 4.591 4.340 -0.001 0.000 0.199 47 R C 0.409 176.580 176.300 -0.216 0.000 1.015 47 R CA 0.163 56.044 56.100 -0.365 0.000 1.058 47 R CB -0.275 29.770 30.300 -0.426 0.000 0.921 47 R HN 0.331 nan 8.270 nan 0.000 0.475 48 L N 1.336 122.525 121.223 -0.056 0.000 2.295 48 L HA 0.345 4.684 4.340 -0.001 0.000 0.281 48 L C -0.522 176.407 176.870 0.099 0.000 1.018 48 L CA -0.321 54.477 54.840 -0.070 0.000 0.841 48 L CB 1.451 43.413 42.059 -0.162 0.000 1.218 48 L HN 0.040 nan 8.230 nan 0.000 0.424 49 Q N 2.212 122.119 119.800 0.178 0.000 2.289 49 Q HA 0.443 4.782 4.340 -0.001 0.000 0.270 49 Q C -1.508 174.585 176.000 0.154 0.000 1.038 49 Q CA -0.541 55.379 55.803 0.195 0.000 0.812 49 Q CB 2.811 31.717 28.738 0.280 0.000 1.300 49 Q HN 0.496 nan 8.270 nan 0.000 0.427 50 T N 3.264 117.884 114.554 0.111 0.000 2.809 50 T HA 0.424 4.773 4.350 -0.001 0.000 0.296 50 T C 0.170 174.922 174.700 0.086 0.000 1.015 50 T CA -0.503 61.654 62.100 0.094 0.000 0.954 50 T CB 0.714 69.619 68.868 0.062 0.000 0.950 50 T HN 0.485 nan 8.240 nan 0.000 0.450 51 V N 1.592 121.571 119.914 0.107 0.000 3.369 51 V HA 0.842 4.962 4.120 -0.001 0.000 0.309 51 V C 0.013 176.187 176.094 0.134 0.000 1.069 51 V CA -0.598 61.758 62.300 0.093 0.000 1.042 51 V CB 1.293 33.153 31.823 0.061 0.000 1.192 51 V HN 0.731 nan 8.190 nan 0.000 0.447 52 T N 0.839 115.461 114.554 0.113 0.000 2.861 52 T HA 0.800 5.149 4.350 -0.001 0.000 0.287 52 T C 0.146 174.932 174.700 0.142 0.000 1.003 52 T CA 0.252 62.429 62.100 0.129 0.000 0.977 52 T CB 1.378 70.285 68.868 0.065 0.000 0.996 52 T HN 1.329 nan 8.240 nan 0.000 0.448 53 G N 0.354 109.285 108.800 0.219 0.000 3.247 53 G HA2 0.469 4.429 3.960 -0.001 0.000 0.199 53 G HA3 0.469 4.429 3.960 -0.001 0.000 0.199 53 G C -1.049 173.970 174.900 0.199 0.000 1.172 53 G CA -0.754 44.461 45.100 0.192 0.000 0.844 53 G HN 0.609 nan 8.290 nan 0.000 0.619 54 Y N 2.026 122.375 120.300 0.082 0.000 2.863 54 Y HA -0.007 4.543 4.550 -0.001 0.000 0.359 54 Y C 1.376 177.319 175.900 0.072 0.000 1.312 54 Y CA 1.840 59.976 58.100 0.060 0.000 1.650 54 Y CB -0.372 38.117 38.460 0.048 0.000 1.201 54 Y HN 0.662 nan 8.280 nan 0.000 0.531 55 Q N 3.231 122.841 119.800 -0.316 0.000 2.489 55 Q HA -0.258 4.081 4.340 -0.001 0.000 0.259 55 Q C 1.012 176.957 176.000 -0.091 0.000 0.934 55 Q CA 0.807 56.450 55.803 -0.268 0.000 1.131 55 Q CB -2.016 26.510 28.738 -0.354 0.000 1.472 55 Q HN 1.397 nan 8.270 nan 0.000 0.560 56 G N 0.072 108.855 108.800 -0.030 0.000 2.157 56 G HA2 -0.329 3.630 3.960 -0.001 0.000 0.248 56 G HA3 -0.329 3.630 3.960 -0.001 0.000 0.248 56 G C 0.063 174.964 174.900 0.001 0.000 0.979 56 G CA 0.222 45.316 45.100 -0.010 0.000 0.650 56 G HN 0.299 nan 8.290 nan 0.000 0.529 57 R N 0.537 121.062 120.500 0.042 0.000 2.491 57 R HA 0.462 4.802 4.340 -0.001 0.000 0.283 57 R C 0.339 176.579 176.300 -0.100 0.000 1.072 57 R CA 0.241 56.317 56.100 -0.040 0.000 1.048 57 R CB 0.602 30.940 30.300 0.063 0.000 0.983 57 R HN 0.243 nan 8.270 nan 0.000 0.450 58 K N 2.556 122.777 120.400 -0.297 0.000 2.156 58 K HA 0.390 4.709 4.320 -0.001 0.000 0.254 58 K C -1.174 175.147 176.600 -0.465 0.000 0.950 58 K CA -0.586 55.579 56.287 -0.203 0.000 0.849 58 K CB 1.464 33.901 32.500 -0.104 0.000 1.100 58 K HN 0.379 nan 8.250 nan 0.000 0.434 59 Y N -0.185 120.137 120.300 0.038 0.000 2.534 59 Y HA 0.181 4.731 4.550 -0.001 0.000 0.345 59 Y C -0.615 175.302 175.900 0.029 0.000 1.031 59 Y CA -1.191 56.936 58.100 0.045 0.000 1.022 59 Y CB 1.663 40.156 38.460 0.055 0.000 1.292 59 Y HN 0.456 nan 8.280 nan 0.000 0.459 60 D N 2.277 122.775 120.400 0.164 0.000 2.380 60 D HA 0.169 4.809 4.640 -0.001 0.000 0.230 60 D C 0.417 176.815 176.300 0.164 0.000 1.154 60 D CA 0.084 54.153 54.000 0.115 0.000 0.859 60 D CB 1.719 42.530 40.800 0.019 0.000 1.045 60 D HN 0.508 nan 8.370 nan 0.000 0.495 61 I N 2.239 122.927 120.570 0.197 0.000 3.428 61 I HA 0.098 4.268 4.170 -0.001 0.000 0.286 61 I C 1.274 177.651 176.117 0.434 0.000 1.287 61 I CA 0.399 61.833 61.300 0.224 0.000 1.396 61 I CB 0.115 38.178 38.000 0.104 0.000 1.062 61 I HN 0.381 nan 8.210 nan 0.000 0.471 62 G N -0.696 108.334 108.800 0.384 0.000 3.310 62 G HA2 0.587 4.547 3.960 -0.001 0.000 0.176 62 G HA3 0.587 4.547 3.960 -0.001 0.000 0.176 62 G C -0.235 174.720 174.900 0.092 0.000 1.307 62 G CA 0.026 45.295 45.100 0.282 0.000 0.935 62 G HN 0.323 nan 8.290 nan 0.000 0.628 63 A N -0.733 122.047 122.820 -0.068 0.000 2.531 63 A HA 0.493 4.813 4.320 -0.001 0.000 0.236 63 A C 1.006 178.607 177.584 0.029 0.000 1.062 63 A CA 1.008 52.990 52.037 -0.092 0.000 0.760 63 A CB 0.487 19.226 19.000 -0.435 0.000 0.995 63 A HN 0.570 nan 8.150 nan 0.000 0.501 64 S N 0.387 116.098 115.700 0.019 0.000 2.727 64 S HA 0.185 4.655 4.470 -0.001 0.000 0.249 64 S C -0.030 174.197 174.600 -0.623 0.000 1.079 64 S CA -0.245 57.719 58.200 -0.393 0.000 0.912 64 S CB 0.160 62.890 63.200 -0.783 0.000 0.861 64 S HN 0.751 nan 8.310 nan 0.000 0.484 65 W N 2.182 123.413 121.300 -0.114 0.000 2.706 65 W HA 0.482 5.142 4.660 -0.001 0.000 0.346 65 W C -0.438 175.765 176.519 -0.527 0.000 1.071 65 W CA -0.578 56.556 57.345 -0.352 0.000 1.206 65 W CB 0.380 29.619 29.460 -0.369 0.000 1.413 65 W HN 0.119 nan 8.180 nan 0.000 0.542 66 H N 2.313 121.282 119.070 -0.169 0.000 2.594 66 H HA 0.210 4.766 4.556 -0.001 0.000 0.304 66 H C 0.339 175.500 175.328 -0.279 0.000 1.068 66 H CA 0.096 56.037 56.048 -0.179 0.000 1.308 66 H CB 0.757 30.401 29.762 -0.197 0.000 1.409 66 H HN 0.219 nan 8.280 nan 0.000 0.460 67 H N 1.611 120.762 119.070 0.136 0.000 2.500 67 H HA 0.023 4.579 4.556 -0.001 0.000 0.351 67 H C 0.363 175.685 175.328 -0.010 0.000 1.281 67 H CA -0.470 55.617 56.048 0.065 0.000 1.368 67 H CB 0.817 30.667 29.762 0.148 0.000 1.616 67 H HN 0.635 nan 8.280 nan 0.000 0.591 68 D N 0.606 121.115 120.400 0.181 0.000 2.704 68 D HA -0.158 4.481 4.640 -0.001 0.000 0.232 68 D C 1.202 177.424 176.300 -0.130 0.000 1.183 68 D CA 1.087 55.116 54.000 0.048 0.000 0.647 68 D CB -1.455 39.392 40.800 0.077 0.000 1.013 68 D HN 0.756 nan 8.370 nan 0.000 0.415 69 T N -2.907 111.505 114.554 -0.237 0.000 2.897 69 T HA -0.153 4.196 4.350 -0.001 0.000 0.271 69 T C 2.130 176.752 174.700 -0.130 0.000 1.084 69 T CA 0.540 62.376 62.100 -0.440 0.000 1.123 69 T CB -0.051 68.316 68.868 -0.835 0.000 0.865 69 T HN 0.428 nan 8.240 nan 0.000 0.496 70 L N 1.459 122.650 121.223 -0.053 0.000 2.201 70 L HA -0.002 4.337 4.340 -0.001 0.000 0.212 70 L C 2.888 179.763 176.870 0.008 0.000 1.105 70 L CA 1.616 56.460 54.840 0.007 0.000 0.775 70 L CB -0.560 41.512 42.059 0.023 0.000 0.913 70 L HN 0.619 nan 8.230 nan 0.000 0.440 71 T N -6.540 107.994 114.554 -0.034 0.000 2.966 71 T HA 0.044 4.394 4.350 -0.001 0.000 0.254 71 T C 0.930 175.540 174.700 -0.149 0.000 0.961 71 T CA -0.411 61.660 62.100 -0.048 0.000 0.915 71 T CB -0.268 68.591 68.868 -0.014 0.000 1.186 71 T HN -0.013 nan 8.240 nan 0.000 0.505 72 N N 4.640 123.153 118.700 -0.311 0.000 2.291 72 N HA 0.008 4.748 4.740 -0.001 0.000 0.281 72 N C -1.171 174.150 175.510 -0.315 0.000 1.388 72 N CA -1.052 51.636 53.050 -0.604 0.000 0.920 72 N CB 1.095 39.256 38.487 -0.543 0.000 1.276 72 N HN 0.236 nan 8.380 nan 0.000 0.493 73 P HA -0.194 nan 4.420 nan 0.000 0.216 73 P C 1.652 178.683 177.300 -0.449 0.000 1.150 73 P CA 0.572 63.551 63.100 -0.201 0.000 0.837 73 P CB 0.335 32.052 31.700 0.029 0.000 0.786 74 L N -0.541 120.248 121.223 -0.723 0.000 1.989 74 L HA -0.130 4.209 4.340 -0.001 0.000 0.211 74 L C 2.532 179.126 176.870 -0.461 0.000 1.071 74 L CA 1.756 56.092 54.840 -0.839 0.000 0.749 74 L CB -1.875 39.756 42.059 -0.713 0.000 0.890 74 L HN -0.173 nan 8.230 nan 0.000 0.431 75 F N -0.106 119.556 119.950 -0.480 0.000 2.069 75 F HA -0.254 4.272 4.527 -0.001 0.000 0.298 75 F C 2.144 177.696 175.800 -0.413 0.000 1.113 75 F CA 2.035 59.647 58.000 -0.647 0.000 1.214 75 F CB -0.536 38.103 39.000 -0.602 0.000 0.978 75 F HN 0.077 nan 8.300 nan 0.000 0.474 76 L N 0.126 121.100 121.223 -0.416 0.000 2.079 76 L HA -0.242 4.097 4.340 -0.001 0.000 0.210 76 L C 2.514 179.186 176.870 -0.329 0.000 1.081 76 L CA 1.964 56.602 54.840 -0.337 0.000 0.752 76 L CB -0.907 41.093 42.059 -0.097 0.000 0.896 76 L HN 0.328 nan 8.230 nan 0.000 0.433 77 E N 0.089 120.112 120.200 -0.295 0.000 2.072 77 E HA -0.217 4.133 4.350 -0.001 0.000 0.191 77 E C 2.048 178.521 176.600 -0.212 0.000 0.985 77 E CA 0.960 57.246 56.400 -0.190 0.000 0.801 77 E CB 0.188 29.801 29.700 -0.144 0.000 0.750 77 E HN 0.381 nan 8.360 nan 0.000 0.452 78 E N 0.130 120.135 120.200 -0.325 0.000 2.106 78 E HA -0.137 4.213 4.350 -0.001 0.000 0.192 78 E C 1.956 178.453 176.600 -0.173 0.000 0.984 78 E CA 0.908 57.168 56.400 -0.234 0.000 0.806 78 E CB -0.127 29.420 29.700 -0.256 0.000 0.750 78 E HN 0.366 nan 8.360 nan 0.000 0.458 79 A N 1.150 123.767 122.820 -0.338 0.000 1.930 79 A HA -0.238 4.082 4.320 -0.001 0.000 0.217 79 A C 2.186 179.718 177.584 -0.086 0.000 1.175 79 A CA 1.751 53.715 52.037 -0.122 0.000 0.627 79 A CB -0.445 18.362 19.000 -0.322 0.000 0.815 79 A HN 0.145 nan 8.150 nan 0.000 0.443 80 Q N 0.125 119.852 119.800 -0.121 0.000 2.030 80 Q HA -0.150 4.189 4.340 -0.001 0.000 0.204 80 Q C 1.898 177.861 176.000 -0.062 0.000 0.986 80 Q CA 1.962 57.722 55.803 -0.071 0.000 0.843 80 Q CB -0.523 28.176 28.738 -0.066 0.000 0.904 80 Q HN 0.657 nan 8.270 nan 0.000 0.420 81 L N -0.348 120.832 121.223 -0.072 0.000 1.990 81 L HA -0.267 4.072 4.340 -0.001 0.000 0.213 81 L C 2.450 179.274 176.870 -0.075 0.000 1.072 81 L CA 1.711 56.513 54.840 -0.064 0.000 0.755 81 L CB -0.789 41.232 42.059 -0.065 0.000 0.889 81 L HN 0.213 nan 8.230 nan 0.000 0.432 82 S N -0.115 115.522 115.700 -0.104 0.000 2.419 82 S HA -0.175 4.294 4.470 -0.001 0.000 0.235 82 S C 1.796 176.344 174.600 -0.088 0.000 1.019 82 S CA 1.156 59.275 58.200 -0.134 0.000 0.982 82 S CB -0.313 62.739 63.200 -0.247 0.000 0.789 82 S HN 0.251 nan 8.310 nan 0.000 0.490 83 L N 2.010 123.199 121.223 -0.057 0.000 2.291 83 L HA 0.060 4.399 4.340 -0.001 0.000 0.214 83 L C 1.397 178.246 176.870 -0.034 0.000 1.120 83 L CA 1.356 56.176 54.840 -0.034 0.000 0.799 83 L CB -0.389 41.659 42.059 -0.019 0.000 0.925 83 L HN 0.145 nan 8.230 nan 0.000 0.446 84 N N -0.226 118.451 118.700 -0.040 0.000 2.395 84 N HA -0.047 4.693 4.740 -0.001 0.000 0.175 84 N C 0.644 176.132 175.510 -0.036 0.000 1.029 84 N CA 1.223 54.252 53.050 -0.034 0.000 0.897 84 N CB 0.005 38.473 38.487 -0.031 0.000 0.991 84 N HN 0.625 nan 8.380 nan 0.000 0.441 85 D N -2.355 118.017 120.400 -0.047 0.000 2.520 85 D HA 0.233 4.872 4.640 -0.001 0.000 0.223 85 D C 1.070 177.338 176.300 -0.053 0.000 1.186 85 D CA 0.151 54.123 54.000 -0.046 0.000 0.821 85 D CB -0.049 40.722 40.800 -0.048 0.000 1.072 85 D HN 0.062 nan 8.370 nan 0.000 0.518 86 G N 0.790 109.553 108.800 -0.061 0.000 2.175 86 G HA2 -0.347 3.612 3.960 -0.001 0.000 0.265 86 G HA3 -0.347 3.612 3.960 -0.001 0.000 0.265 86 G C 0.179 175.028 174.900 -0.084 0.000 0.979 86 G CA 0.017 45.077 45.100 -0.065 0.000 0.663 86 G HN 0.340 nan 8.290 nan 0.000 0.533 87 R N 0.608 121.050 120.500 -0.098 0.000 2.389 87 R HA 0.340 4.679 4.340 -0.001 0.000 0.295 87 R C -0.105 176.091 176.300 -0.173 0.000 1.075 87 R CA -0.007 56.026 56.100 -0.112 0.000 1.005 87 R CB 0.541 30.782 30.300 -0.098 0.000 0.987 87 R HN 0.146 nan 8.270 nan 0.000 0.452 88 T N 4.238 118.692 114.554 -0.165 0.000 2.727 88 T HA 0.191 4.541 4.350 -0.001 0.000 0.295 88 T C 1.278 175.832 174.700 -0.243 0.000 0.915 88 T CA -0.071 61.891 62.100 -0.230 0.000 1.066 88 T CB 0.556 69.344 68.868 -0.134 0.000 0.891 88 T HN 0.382 nan 8.240 nan 0.000 0.516 89 R N 1.829 122.088 120.500 -0.402 0.000 2.307 89 R HA 0.269 4.609 4.340 -0.001 0.000 0.200 89 R C -0.066 176.168 176.300 -0.110 0.000 0.893 89 R CA 0.296 56.249 56.100 -0.246 0.000 1.042 89 R CB 0.483 30.666 30.300 -0.194 0.000 1.059 89 R HN 0.649 nan 8.270 nan 0.000 0.530 90 F N -3.339 116.609 119.950 -0.004 0.000 2.923 90 F HA 0.697 5.223 4.527 -0.001 0.000 0.323 90 F C -1.261 174.598 175.800 0.100 0.000 1.189 90 F CA -1.773 56.236 58.000 0.015 0.000 0.930 90 F CB 1.109 40.143 39.000 0.057 0.000 1.414 90 F HN -0.355 nan 8.300 nan 0.000 0.496 91 V N 1.189 121.422 119.914 0.532 0.000 2.737 91 V HA 0.454 4.573 4.120 -0.001 0.000 0.298 91 V C -1.813 174.490 176.094 0.348 0.000 1.163 91 V CA -0.772 61.804 62.300 0.459 0.000 0.925 91 V CB 1.533 33.551 31.823 0.326 0.000 1.037 91 V HN 0.677 nan 8.190 nan 0.000 0.433 92 F N 6.275 126.403 119.950 0.298 0.000 2.487 92 F HA 0.328 4.854 4.527 -0.001 0.000 0.364 92 F C 1.264 177.167 175.800 0.172 0.000 1.126 92 F CA -0.153 57.964 58.000 0.195 0.000 1.135 92 F CB 0.672 39.749 39.000 0.128 0.000 1.127 92 F HN 0.710 nan 8.300 nan 0.000 0.559 93 D N 0.454 121.016 120.400 0.270 0.000 2.501 93 D HA 0.027 4.667 4.640 -0.001 0.000 0.226 93 D C -0.113 176.278 176.300 0.152 0.000 1.198 93 D CA -0.238 53.877 54.000 0.192 0.000 0.830 93 D CB -0.341 40.542 40.800 0.139 0.000 1.014 93 D HN 0.209 nan 8.370 nan 0.000 0.496 94 D N 0.676 121.172 120.400 0.161 0.000 2.368 94 D HA 0.296 4.936 4.640 -0.001 0.000 0.240 94 D C -0.119 176.244 176.300 0.105 0.000 1.169 94 D CA 0.604 54.678 54.000 0.123 0.000 0.906 94 D CB 1.223 42.099 40.800 0.126 0.000 1.187 94 D HN 0.134 nan 8.370 nan 0.000 0.435 95 D N -0.400 120.063 120.400 0.104 0.000 2.692 95 D HA 0.106 4.746 4.640 -0.001 0.000 0.290 95 D C -1.160 175.212 176.300 0.120 0.000 1.281 95 D CA -0.568 53.472 54.000 0.067 0.000 0.804 95 D CB 1.223 42.018 40.800 -0.007 0.000 1.331 95 D HN 0.108 nan 8.370 nan 0.000 0.432 96 N N 0.998 119.741 118.700 0.071 0.000 2.442 96 N HA 0.152 4.892 4.740 -0.001 0.000 0.265 96 N C -0.185 175.381 175.510 0.094 0.000 1.138 96 N CA 0.060 53.171 53.050 0.101 0.000 0.956 96 N CB 0.099 38.595 38.487 0.016 0.000 1.067 96 N HN 0.189 nan 8.380 nan 0.000 0.474 97 F N 1.777 121.634 119.950 -0.156 0.000 2.572 97 F HA 0.130 4.657 4.527 -0.001 0.000 0.370 97 F C 1.247 176.778 175.800 -0.449 0.000 1.103 97 F CA 0.012 57.786 58.000 -0.378 0.000 1.286 97 F CB 0.308 38.875 39.000 -0.722 0.000 1.105 97 F HN 0.243 nan 8.300 nan 0.000 0.583 98 I N 4.958 125.336 120.570 -0.319 0.000 2.321 98 I HA 0.181 4.351 4.170 -0.001 0.000 0.291 98 I C -1.002 174.981 176.117 -0.223 0.000 0.998 98 I CA -0.632 60.553 61.300 -0.192 0.000 1.227 98 I CB 0.772 38.690 38.000 -0.137 0.000 1.368 98 I HN 0.429 nan 8.210 nan 0.000 0.466 99 Y N 6.806 127.180 120.300 0.122 0.000 2.328 99 Y HA 0.527 5.077 4.550 -0.001 0.000 0.337 99 Y C 0.041 175.998 175.900 0.095 0.000 0.966 99 Y CA -0.656 57.526 58.100 0.137 0.000 1.136 99 Y CB 1.430 39.976 38.460 0.143 0.000 1.170 99 Y HN 0.346 nan 8.280 nan 0.000 0.470 100 I N 3.431 124.156 120.570 0.258 0.000 2.389 100 I HA 0.210 4.380 4.170 -0.001 0.000 0.288 100 I C -0.654 175.623 176.117 0.266 0.000 0.999 100 I CA -0.530 60.887 61.300 0.195 0.000 1.129 100 I CB 1.509 39.588 38.000 0.132 0.000 1.288 100 I HN 0.613 nan 8.210 nan 0.000 0.444 101 D N 4.094 124.603 120.400 0.181 0.000 2.277 101 D HA 0.097 4.736 4.640 -0.001 0.000 0.250 101 D C 0.988 177.298 176.300 0.017 0.000 1.032 101 D CA -0.305 53.791 54.000 0.160 0.000 0.947 101 D CB 1.570 42.452 40.800 0.137 0.000 1.159 101 D HN 0.589 nan 8.370 nan 0.000 0.460 102 E N 1.319 121.319 120.200 -0.334 0.000 2.072 102 E HA -0.189 4.160 4.350 -0.001 0.000 0.191 102 E C 1.184 177.599 176.600 -0.310 0.000 0.985 102 E CA 0.880 56.854 56.400 -0.710 0.000 0.801 102 E CB 0.212 28.911 29.700 -1.669 0.000 0.750 102 E HN 0.658 nan 8.360 nan 0.000 0.452 103 E N 0.242 120.317 120.200 -0.209 0.000 2.012 103 E HA -0.156 4.193 4.350 -0.001 0.000 0.192 103 E C 2.149 178.721 176.600 -0.047 0.000 0.977 103 E CA 0.465 56.806 56.400 -0.098 0.000 0.832 103 E CB -0.093 29.587 29.700 -0.032 0.000 0.790 103 E HN -0.055 nan 8.360 nan 0.000 0.466 104 R N 0.319 120.808 120.500 -0.018 0.000 2.355 104 R HA -0.045 4.294 4.340 -0.001 0.000 0.219 104 R C 0.816 177.082 176.300 -0.056 0.000 1.107 104 R CA 1.070 57.132 56.100 -0.064 0.000 1.021 104 R CB -0.749 29.431 30.300 -0.201 0.000 0.852 104 R HN 0.499 nan 8.270 nan 0.000 0.475 105 G N 0.173 108.959 108.800 -0.024 0.000 2.547 105 G HA2 -0.385 3.575 3.960 -0.001 0.000 0.271 105 G HA3 -0.385 3.575 3.960 -0.001 0.000 0.271 105 G C -0.839 174.070 174.900 0.015 0.000 1.209 105 G CA 0.164 45.266 45.100 0.004 0.000 0.959 105 G HN 0.418 nan 8.290 nan 0.000 0.563 106 R N 0.349 120.862 120.500 0.021 0.000 2.484 106 R HA 0.308 4.647 4.340 -0.001 0.000 0.293 106 R C 1.299 177.615 176.300 0.026 0.000 1.023 106 R CA 0.623 56.750 56.100 0.044 0.000 1.037 106 R CB 0.546 30.872 30.300 0.043 0.000 0.951 106 R HN 0.993 nan 8.270 nan 0.000 0.418 107 V N -1.372 118.577 119.914 0.059 0.000 3.380 107 V HA 0.062 4.182 4.120 -0.001 0.000 0.307 107 V C 0.455 176.608 176.094 0.097 0.000 1.434 107 V CA -0.436 61.864 62.300 0.001 0.000 1.075 107 V CB -0.294 31.457 31.823 -0.120 0.000 0.954 107 V HN 0.666 nan 8.190 nan 0.000 0.444 108 D N -0.055 120.474 120.400 0.215 0.000 2.358 108 D HA -0.015 4.625 4.640 -0.001 0.000 0.244 108 D C 0.657 177.104 176.300 0.245 0.000 1.163 108 D CA -0.168 54.026 54.000 0.324 0.000 0.945 108 D CB 0.092 41.110 40.800 0.363 0.000 1.152 108 D HN 0.378 nan 8.370 nan 0.000 0.451 109 H N -0.225 118.926 119.070 0.135 0.000 2.355 109 H HA -0.228 4.328 4.556 -0.001 0.000 0.324 109 H C -0.797 174.563 175.328 0.054 0.000 1.015 109 H CA 0.732 56.831 56.048 0.084 0.000 1.101 109 H CB -0.768 29.041 29.762 0.077 0.000 1.555 109 H HN 0.458 nan 8.280 nan 0.000 0.386 110 D N 1.356 121.733 120.400 -0.038 0.000 2.232 110 D HA 0.044 4.684 4.640 -0.001 0.000 0.242 110 D C 1.318 177.552 176.300 -0.111 0.000 1.093 110 D CA -0.240 53.719 54.000 -0.069 0.000 0.845 110 D CB 0.816 41.594 40.800 -0.036 0.000 1.124 110 D HN 0.660 nan 8.370 nan 0.000 0.467 111 K N 2.601 122.933 120.400 -0.115 0.000 2.442 111 K HA -0.150 4.170 4.320 -0.001 0.000 0.198 111 K C 1.238 177.807 176.600 -0.052 0.000 1.044 111 K CA 1.088 57.318 56.287 -0.095 0.000 0.948 111 K CB 0.391 32.847 32.500 -0.073 0.000 0.762 111 K HN 0.436 nan 8.250 nan 0.000 0.472 112 E N 1.029 121.205 120.200 -0.040 0.000 2.288 112 E HA 0.058 4.407 4.350 -0.001 0.000 0.200 112 E C 1.975 178.569 176.600 -0.010 0.000 0.880 112 E CA -0.165 56.223 56.400 -0.020 0.000 0.971 112 E CB 0.124 29.815 29.700 -0.016 0.000 0.954 112 E HN 0.229 nan 8.360 nan 0.000 0.489 113 L N 1.036 122.246 121.223 -0.020 0.000 2.056 113 L HA 0.026 4.366 4.340 -0.001 0.000 0.207 113 L C 1.085 177.960 176.870 0.007 0.000 1.078 113 L CA 0.668 55.504 54.840 -0.006 0.000 0.749 113 L CB -0.518 41.515 42.059 -0.042 0.000 0.901 113 L HN 0.252 nan 8.230 nan 0.000 0.433 114 L N -0.038 121.180 121.223 -0.009 0.000 3.739 114 L HA -0.276 4.063 4.340 -0.001 0.000 0.442 114 L C 1.474 178.357 176.870 0.021 0.000 1.241 114 L CA -0.257 54.583 54.840 0.000 0.000 0.819 114 L CB -1.536 40.526 42.059 0.005 0.000 1.679 114 L HN 0.315 nan 8.230 nan 0.000 0.889 115 L N -0.697 120.534 121.223 0.013 0.000 2.012 115 L HA -0.221 4.119 4.340 -0.001 0.000 0.210 115 L C 2.313 179.182 176.870 -0.002 0.000 1.073 115 L CA 1.935 56.774 54.840 -0.001 0.000 0.748 115 L CB -0.211 41.815 42.059 -0.054 0.000 0.891 115 L HN 0.420 nan 8.230 nan 0.000 0.431 116 E N 0.427 120.637 120.200 0.016 0.000 2.160 116 E HA -0.200 4.149 4.350 -0.001 0.000 0.195 116 E C 2.102 178.729 176.600 0.044 0.000 0.991 116 E CA 1.178 57.601 56.400 0.037 0.000 0.810 116 E CB -0.282 29.474 29.700 0.093 0.000 0.742 116 E HN 0.473 nan 8.360 nan 0.000 0.466 117 I N 0.222 120.820 120.570 0.045 0.000 2.252 117 I HA -0.207 3.962 4.170 -0.001 0.000 0.245 117 I C 2.083 178.229 176.117 0.048 0.000 1.102 117 I CA 0.963 62.291 61.300 0.046 0.000 1.385 117 I CB -0.343 37.682 38.000 0.042 0.000 1.064 117 I HN 0.073 nan 8.210 nan 0.000 0.414 118 V N -1.136 118.811 119.914 0.054 0.000 2.667 118 V HA -0.216 3.904 4.120 -0.001 0.000 0.252 118 V C 2.061 178.156 176.094 0.002 0.000 1.065 118 V CA 1.936 64.280 62.300 0.073 0.000 1.083 118 V CB -0.907 30.990 31.823 0.123 0.000 0.692 118 V HN 0.352 nan 8.190 nan 0.000 0.468 119 D N 1.387 121.789 120.400 0.004 0.000 2.123 119 D HA -0.263 4.376 4.640 -0.001 0.000 0.196 119 D C 2.127 178.433 176.300 0.010 0.000 0.992 119 D CA 1.766 55.767 54.000 0.003 0.000 0.833 119 D CB -0.392 40.443 40.800 0.058 0.000 0.954 119 D HN 0.461 nan 8.370 nan 0.000 0.455 120 N N 0.497 119.214 118.700 0.029 0.000 2.104 120 N HA -0.230 4.510 4.740 -0.001 0.000 0.190 120 N C 1.750 177.258 175.510 -0.003 0.000 1.024 120 N CA 1.283 54.351 53.050 0.030 0.000 0.853 120 N CB -0.202 38.309 38.487 0.041 0.000 1.008 120 N HN 0.420 nan 8.380 nan 0.000 0.424 121 E N -0.336 119.867 120.200 0.005 0.000 2.153 121 E HA -0.144 4.205 4.350 -0.001 0.000 0.194 121 E C 2.108 178.691 176.600 -0.030 0.000 0.988 121 E CA 0.605 57.027 56.400 0.037 0.000 0.811 121 E CB 0.043 29.818 29.700 0.125 0.000 0.746 121 E HN 0.312 nan 8.360 nan 0.000 0.466 122 M N 0.333 119.779 119.600 -0.256 0.000 2.086 122 M HA -0.156 4.324 4.480 -0.001 0.000 0.261 122 M C 2.581 178.738 176.300 -0.239 0.000 1.067 122 M CA 1.335 56.339 55.300 -0.494 0.000 1.116 122 M CB -0.679 31.567 32.600 -0.589 0.000 1.348 122 M HN 0.133 nan 8.290 nan 0.000 0.407 123 S N 0.042 115.576 115.700 -0.277 0.000 2.374 123 S HA -0.220 4.249 4.470 -0.001 0.000 0.227 123 S C 1.903 176.266 174.600 -0.395 0.000 1.037 123 S CA 1.915 59.727 58.200 -0.647 0.000 1.024 123 S CB -0.126 62.925 63.200 -0.248 0.000 0.861 123 S HN 0.310 nan 8.310 nan 0.000 0.456 124 K N 0.433 120.747 120.400 -0.142 0.000 2.097 124 K HA -0.001 4.319 4.320 -0.001 0.000 0.205 124 K C 1.733 178.328 176.600 -0.009 0.000 1.050 124 K CA 1.535 57.792 56.287 -0.050 0.000 0.938 124 K CB -0.818 31.687 32.500 0.009 0.000 0.718 124 K HN 0.504 nan 8.250 nan 0.000 0.442 125 F N 0.493 120.390 119.950 -0.088 0.000 2.095 125 F HA -0.166 4.360 4.527 -0.001 0.000 0.298 125 F C 1.813 177.561 175.800 -0.087 0.000 1.104 125 F CA 1.721 59.706 58.000 -0.025 0.000 1.232 125 F CB -0.587 38.480 39.000 0.112 0.000 0.987 125 F HN 0.060 nan 8.300 nan 0.000 0.475 126 A N 0.155 122.946 122.820 -0.048 0.000 1.877 126 A HA -0.252 4.067 4.320 -0.001 0.000 0.216 126 A C 2.273 179.781 177.584 -0.126 0.000 1.186 126 A CA 1.818 53.798 52.037 -0.095 0.000 0.620 126 A CB -1.214 17.803 19.000 0.028 0.000 0.822 126 A HN 0.602 nan 8.150 nan 0.000 0.443 127 E N -0.080 120.063 120.200 -0.096 0.000 2.049 127 E HA -0.209 4.141 4.350 -0.001 0.000 0.198 127 E C 1.910 178.515 176.600 0.007 0.000 1.007 127 E CA 1.453 57.865 56.400 0.020 0.000 0.809 127 E CB -0.260 29.464 29.700 0.041 0.000 0.749 127 E HN 0.616 nan 8.360 nan 0.000 0.450 128 L N 0.470 121.627 121.223 -0.110 0.000 2.265 128 L HA -0.152 4.188 4.340 -0.001 0.000 0.215 128 L C 2.480 179.183 176.870 -0.279 0.000 1.117 128 L CA 0.941 55.690 54.840 -0.152 0.000 0.782 128 L CB -0.259 41.696 42.059 -0.173 0.000 0.914 128 L HN 0.184 nan 8.230 nan 0.000 0.441 129 E N 0.110 120.007 120.200 -0.504 0.000 2.112 129 E HA -0.117 4.232 4.350 -0.001 0.000 0.190 129 E C 1.728 177.940 176.600 -0.647 0.000 0.979 129 E CA 1.439 57.393 56.400 -0.743 0.000 0.814 129 E CB 0.046 29.052 29.700 -1.157 0.000 0.762 129 E HN 0.454 nan 8.360 nan 0.000 0.460 130 F N -1.996 117.920 119.950 -0.057 0.000 2.653 130 F HA 0.157 4.684 4.527 -0.001 0.000 0.288 130 F C 2.167 177.996 175.800 0.048 0.000 1.121 130 F CA -0.111 57.886 58.000 -0.004 0.000 1.384 130 F CB 0.017 39.024 39.000 0.010 0.000 1.115 130 F HN 0.086 nan 8.300 nan 0.000 0.599 131 H N 0.638 119.786 119.070 0.130 0.000 2.390 131 H HA -0.117 4.438 4.556 -0.001 0.000 0.298 131 H C 1.179 176.556 175.328 0.081 0.000 1.106 131 H CA 1.240 57.339 56.048 0.085 0.000 1.297 131 H CB 0.037 29.812 29.762 0.023 0.000 1.375 131 H HN 0.073 nan 8.280 nan 0.000 0.509 132 Q N 1.518 121.428 119.800 0.183 0.000 2.553 132 Q HA -0.034 4.306 4.340 -0.001 0.000 0.221 132 Q C -0.787 175.291 176.000 0.129 0.000 1.219 132 Q CA -0.162 55.708 55.803 0.112 0.000 0.955 132 Q CB -0.758 27.996 28.738 0.026 0.000 1.399 132 Q HN 0.433 nan 8.270 nan 0.000 0.551 133 H N 5.619 124.738 119.070 0.083 0.000 3.014 133 H HA 0.122 4.677 4.556 -0.001 0.000 0.266 133 H C -0.338 175.023 175.328 0.056 0.000 1.455 133 H CA -0.091 56.005 56.048 0.080 0.000 1.402 133 H CB -0.051 29.755 29.762 0.074 0.000 1.626 133 H HN 0.358 nan 8.280 nan 0.000 0.520 134 L N 2.952 124.107 121.223 -0.113 0.000 2.718 134 L HA 0.297 4.637 4.340 -0.001 0.000 0.147 134 L C 2.155 178.892 176.870 -0.223 0.000 1.748 134 L CA 0.309 55.110 54.840 -0.065 0.000 2.748 134 L CB -0.624 41.406 42.059 -0.049 0.000 2.984 134 L HN 0.555 nan 8.230 nan 0.000 0.700 135 G N -1.198 107.528 108.800 -0.124 0.000 3.574 135 G HA2 0.351 4.310 3.960 -0.001 0.000 0.262 135 G HA3 0.351 4.310 3.960 -0.001 0.000 0.262 135 G C 1.038 175.858 174.900 -0.132 0.000 1.231 135 G CA -0.053 44.983 45.100 -0.108 0.000 1.608 135 G HN 0.262 nan 8.290 nan 0.000 0.628 136 V N 0.519 120.280 119.914 -0.254 0.000 2.351 136 V HA -0.324 3.796 4.120 -0.001 0.000 0.243 136 V C 1.559 177.665 176.094 0.020 0.000 1.046 136 V CA 2.431 64.666 62.300 -0.108 0.000 1.107 136 V CB -1.201 30.565 31.823 -0.095 0.000 0.842 136 V HN 1.376 nan 8.190 nan 0.000 0.482 137 S N -0.622 115.099 115.700 0.036 0.000 2.972 137 S HA -0.117 4.352 4.470 -0.001 0.000 0.824 137 S C -0.626 174.059 174.600 0.141 0.000 0.724 137 S CA 0.329 58.571 58.200 0.069 0.000 1.535 137 S CB -0.884 62.349 63.200 0.055 0.000 1.078 137 S HN 0.988 nan 8.310 nan 0.000 0.653 138 D N 2.382 122.845 120.400 0.105 0.000 2.411 138 D HA 0.823 5.462 4.640 -0.001 0.000 0.251 138 D C 0.693 177.074 176.300 0.135 0.000 1.201 138 D CA 0.557 54.620 54.000 0.105 0.000 0.996 138 D CB 1.178 41.982 40.800 0.006 0.000 1.101 138 D HN 1.282 nan 8.370 nan 0.000 0.504 139 C N -0.635 118.757 119.300 0.154 0.000 3.295 139 C HA 0.751 5.210 4.460 -0.001 0.000 0.341 139 C C -0.179 174.902 174.990 0.153 0.000 1.418 139 C CA -0.591 58.514 59.018 0.145 0.000 1.240 139 C CB 0.399 28.234 27.740 0.158 0.000 1.562 139 C HN 0.670 nan 8.230 nan 0.000 0.457 140 S N 0.121 115.901 115.700 0.133 0.000 2.593 140 S HA 0.347 4.816 4.470 -0.001 0.000 0.269 140 S C 0.488 175.221 174.600 0.222 0.000 1.334 140 S CA 0.085 58.377 58.200 0.154 0.000 1.015 140 S CB 0.206 63.470 63.200 0.106 0.000 0.912 140 S HN 1.313 nan 8.310 nan 0.000 0.541 141 F N 1.700 121.711 119.950 0.103 0.000 2.126 141 F HA -0.101 4.426 4.527 -0.001 0.000 0.299 141 F C 1.829 177.706 175.800 0.128 0.000 1.096 141 F CA 1.680 59.765 58.000 0.142 0.000 1.255 141 F CB -0.291 38.789 39.000 0.133 0.000 0.997 141 F HN 0.752 nan 8.300 nan 0.000 0.479 142 F N 1.615 121.386 119.950 -0.299 0.000 2.065 142 F HA -0.291 4.235 4.527 -0.001 0.000 0.298 142 F C 2.466 177.978 175.800 -0.481 0.000 1.112 142 F CA 2.268 59.778 58.000 -0.817 0.000 1.212 142 F CB -1.025 37.238 39.000 -1.229 0.000 0.975 142 F HN 0.029 nan 8.300 nan 0.000 0.476 143 Q N 0.348 119.960 119.800 -0.314 0.000 2.135 143 Q HA -0.203 4.136 4.340 -0.001 0.000 0.204 143 Q C 2.064 177.936 176.000 -0.213 0.000 0.981 143 Q CA 1.917 57.546 55.803 -0.290 0.000 0.856 143 Q CB -0.684 28.041 28.738 -0.020 0.000 0.902 143 Q HN 0.575 nan 8.270 nan 0.000 0.425 144 L N -1.022 120.153 121.223 -0.080 0.000 2.056 144 L HA -0.108 4.231 4.340 -0.001 0.000 0.207 144 L C 1.911 178.762 176.870 -0.032 0.000 1.078 144 L CA 1.383 56.271 54.840 0.080 0.000 0.749 144 L CB -0.449 41.779 42.059 0.282 0.000 0.901 144 L HN 0.107 nan 8.230 nan 0.000 0.433 145 V N -0.822 118.928 119.914 -0.273 0.000 2.358 145 V HA -0.256 3.863 4.120 -0.001 0.000 0.246 145 V C 2.541 178.510 176.094 -0.208 0.000 1.047 145 V CA 1.526 63.680 62.300 -0.244 0.000 1.035 145 V CB -0.643 31.003 31.823 -0.294 0.000 0.658 145 V HN 0.376 nan 8.190 nan 0.000 0.452 146 M N -0.029 119.326 119.600 -0.409 0.000 2.213 146 M HA -0.147 4.332 4.480 -0.001 0.000 0.263 146 M C 2.113 178.283 176.300 -0.216 0.000 1.062 146 M CA 1.574 56.669 55.300 -0.343 0.000 1.105 146 M CB -1.211 31.059 32.600 -0.549 0.000 1.385 146 M HN 0.342 nan 8.290 nan 0.000 0.417 147 K N -0.649 119.648 120.400 -0.171 0.000 2.062 147 K HA -0.198 4.121 4.320 -0.001 0.000 0.205 147 K C 2.167 178.620 176.600 -0.244 0.000 1.051 147 K CA 1.093 57.321 56.287 -0.098 0.000 0.941 147 K CB -0.241 32.302 32.500 0.072 0.000 0.719 147 K HN 0.236 nan 8.250 nan 0.000 0.440 148 Y N 1.580 121.537 120.300 -0.572 0.000 2.114 148 Y HA -0.213 4.337 4.550 -0.001 0.000 0.284 148 Y C 1.676 177.290 175.900 -0.477 0.000 1.143 148 Y CA 1.617 59.128 58.100 -0.981 0.000 1.135 148 Y CB -0.317 37.618 38.460 -0.875 0.000 0.980 148 Y HN -0.010 nan 8.280 nan 0.000 0.499 149 L N -0.297 120.747 121.223 -0.300 0.000 2.079 149 L HA -0.270 4.069 4.340 -0.001 0.000 0.210 149 L C 2.478 179.154 176.870 -0.324 0.000 1.081 149 L CA 1.333 56.006 54.840 -0.279 0.000 0.752 149 L CB -0.653 41.374 42.059 -0.054 0.000 0.896 149 L HN 0.355 nan 8.230 nan 0.000 0.433 150 L N -0.796 120.261 121.223 -0.277 0.000 2.005 150 L HA -0.226 4.113 4.340 -0.001 0.000 0.207 150 L C 2.675 179.402 176.870 -0.238 0.000 1.072 150 L CA 1.366 56.070 54.840 -0.226 0.000 0.744 150 L CB -0.550 41.410 42.059 -0.166 0.000 0.895 150 L HN 0.341 nan 8.230 nan 0.000 0.433 151 Q N 0.047 119.694 119.800 -0.255 0.000 2.291 151 Q HA -0.136 4.203 4.340 -0.001 0.000 0.205 151 Q C 1.367 177.235 176.000 -0.219 0.000 0.970 151 Q CA 1.041 56.734 55.803 -0.183 0.000 0.876 151 Q CB 0.348 29.037 28.738 -0.081 0.000 0.935 151 Q HN 0.333 nan 8.270 nan 0.000 0.455 152 R N -0.075 120.191 120.500 -0.390 0.000 2.565 152 R HA 0.109 4.448 4.340 -0.001 0.000 0.347 152 R C 1.588 177.686 176.300 -0.337 0.000 1.010 152 R CA 0.044 55.960 56.100 -0.307 0.000 1.126 152 R CB 0.134 30.140 30.300 -0.490 0.000 1.331 152 R HN 0.329 nan 8.270 nan 0.000 0.552 153 R N 1.053 121.342 120.500 -0.352 0.000 2.139 153 R HA -0.194 4.146 4.340 -0.001 0.000 0.243 153 R C 1.529 177.622 176.300 -0.345 0.000 1.145 153 R CA 1.617 57.541 56.100 -0.294 0.000 0.976 153 R CB -0.403 29.743 30.300 -0.257 0.000 0.866 153 R HN 0.232 nan 8.270 nan 0.000 0.449 154 Q N 0.296 119.753 119.800 -0.572 0.000 2.437 154 Q HA -0.069 4.270 4.340 -0.001 0.000 0.210 154 Q C 0.222 175.775 176.000 -0.745 0.000 0.972 154 Q CA 0.979 56.343 55.803 -0.732 0.000 0.903 154 Q CB 0.086 28.213 28.738 -1.019 0.000 0.967 154 Q HN 0.575 nan 8.270 nan 0.000 0.486 155 F N 0.130 120.029 119.950 -0.086 0.000 2.698 155 F HA 0.356 4.883 4.527 -0.001 0.000 0.304 155 F C -0.442 175.331 175.800 -0.044 0.000 1.108 155 F CA -0.567 57.398 58.000 -0.059 0.000 1.263 155 F CB 0.793 39.758 39.000 -0.058 0.000 1.013 155 F HN -0.127 nan 8.300 nan 0.000 0.532 156 L N 0.547 121.786 121.223 0.027 0.000 2.386 156 L HA 0.483 4.822 4.340 -0.001 0.000 0.271 156 L C 0.460 177.337 176.870 0.012 0.000 0.993 156 L CA -0.970 53.891 54.840 0.035 0.000 0.819 156 L CB 2.235 44.299 42.059 0.008 0.000 1.294 156 L HN 0.071 nan 8.230 nan 0.000 0.414 157 T N -2.170 112.407 114.554 0.038 0.000 2.698 157 T HA 0.129 4.479 4.350 -0.001 0.000 0.295 157 T C 0.894 175.613 174.700 0.033 0.000 1.007 157 T CA -0.408 61.710 62.100 0.030 0.000 0.980 157 T CB 0.738 69.632 68.868 0.044 0.000 1.036 157 T HN 0.495 nan 8.240 nan 0.000 0.526 158 N N 0.735 119.454 118.700 0.032 0.000 2.106 158 N HA -0.057 4.683 4.740 -0.001 0.000 0.188 158 N C 1.484 177.046 175.510 0.087 0.000 1.029 158 N CA 1.147 54.218 53.050 0.035 0.000 0.848 158 N CB -0.645 37.856 38.487 0.023 0.000 1.007 158 N HN 0.618 nan 8.380 nan 0.000 0.423 159 D N 0.759 121.236 120.400 0.129 0.000 2.218 159 D HA -0.099 4.541 4.640 -0.001 0.000 0.204 159 D C 1.838 178.310 176.300 0.287 0.000 0.976 159 D CA 0.755 54.907 54.000 0.254 0.000 0.853 159 D CB -0.081 40.855 40.800 0.226 0.000 0.939 159 D HN 0.437 nan 8.370 nan 0.000 0.481 160 Q N -0.091 119.813 119.800 0.174 0.000 2.083 160 Q HA 0.003 4.343 4.340 -0.001 0.000 0.198 160 Q C 2.423 178.524 176.000 0.167 0.000 0.969 160 Q CA 0.565 56.465 55.803 0.163 0.000 0.838 160 Q CB 0.127 28.936 28.738 0.120 0.000 0.900 160 Q HN 0.328 nan 8.270 nan 0.000 0.436 161 I N 0.599 121.250 120.570 0.136 0.000 2.361 161 I HA -0.291 3.879 4.170 -0.001 0.000 0.251 161 I C 2.643 178.905 176.117 0.243 0.000 1.133 161 I CA 1.099 62.494 61.300 0.158 0.000 1.413 161 I CB -0.241 37.798 38.000 0.065 0.000 1.073 161 I HN 0.192 nan 8.210 nan 0.000 0.424 162 R N 0.464 121.054 120.500 0.149 0.000 2.055 162 R HA -0.148 4.192 4.340 -0.001 0.000 0.226 162 R C 2.130 178.313 176.300 -0.195 0.000 1.135 162 R CA 1.560 57.657 56.100 -0.004 0.000 0.959 162 R CB -0.200 29.962 30.300 -0.230 0.000 0.854 162 R HN 0.242 nan 8.270 nan 0.000 0.431 163 Y N 0.063 120.397 120.300 0.056 0.000 2.517 163 Y HA -0.002 4.548 4.550 -0.001 0.000 0.281 163 Y C 1.766 177.657 175.900 -0.014 0.000 1.125 163 Y CA -0.016 58.089 58.100 0.009 0.000 1.283 163 Y CB 0.068 38.531 38.460 0.005 0.000 1.042 163 Y HN 0.125 nan 8.280 nan 0.000 0.547 164 L N 2.357 123.663 121.223 0.139 0.000 2.005 164 L HA -0.039 4.301 4.340 -0.001 0.000 0.207 164 L C -0.604 176.281 176.870 0.024 0.000 1.072 164 L CA 1.744 56.629 54.840 0.075 0.000 0.744 164 L CB -1.651 40.471 42.059 0.104 0.000 0.895 164 L HN -0.062 nan 8.230 nan 0.000 0.433 165 P HA -0.198 nan 4.420 nan 0.000 0.220 165 P C 0.963 178.170 177.300 -0.156 0.000 1.144 165 P CA 1.410 64.525 63.100 0.025 0.000 0.800 165 P CB -0.055 31.704 31.700 0.099 0.000 0.772 166 Q N -0.576 119.133 119.800 -0.152 0.000 2.204 166 Q HA 0.056 4.396 4.340 -0.001 0.000 0.198 166 Q C 2.393 178.325 176.000 -0.113 0.000 0.946 166 Q CA 0.538 56.221 55.803 -0.200 0.000 0.859 166 Q CB -0.989 27.688 28.738 -0.101 0.000 0.946 166 Q HN 0.324 nan 8.270 nan 0.000 0.474 167 L N 1.112 122.298 121.223 -0.062 0.000 2.093 167 L HA -0.120 4.220 4.340 -0.001 0.000 0.208 167 L C 2.483 179.346 176.870 -0.012 0.000 1.085 167 L CA 1.567 56.352 54.840 -0.090 0.000 0.755 167 L CB -0.267 41.635 42.059 -0.262 0.000 0.904 167 L HN 0.348 nan 8.230 nan 0.000 0.435 168 C N -0.887 118.372 119.300 -0.068 0.000 2.449 168 C HA 0.016 4.476 4.460 -0.001 0.000 0.283 168 C C 2.439 177.223 174.990 -0.344 0.000 1.453 168 C CA -0.021 58.909 59.018 -0.147 0.000 1.779 168 C CB -1.580 26.160 27.740 -0.001 0.000 1.779 168 C HN 0.481 nan 8.230 nan 0.000 0.546 169 R N 0.368 120.725 120.500 -0.237 0.000 2.339 169 R HA -0.006 4.334 4.340 -0.001 0.000 0.199 169 R C 1.765 177.895 176.300 -0.284 0.000 1.018 169 R CA 1.137 57.080 56.100 -0.262 0.000 1.036 169 R CB -0.478 29.558 30.300 -0.439 0.000 0.899 169 R HN 0.929 nan 8.270 nan 0.000 0.473 170 Y N -0.949 119.234 120.300 -0.196 0.000 2.315 170 Y HA -0.155 4.394 4.550 -0.001 0.000 0.288 170 Y C 1.586 177.142 175.900 -0.574 0.000 1.154 170 Y CA 0.708 58.644 58.100 -0.274 0.000 1.229 170 Y CB -0.779 37.521 38.460 -0.267 0.000 0.980 170 Y HN -0.056 nan 8.280 nan 0.000 0.540 171 L N 0.772 121.308 121.223 -1.145 0.000 2.261 171 L HA -0.198 4.141 4.340 -0.001 0.000 0.216 171 L C 2.307 178.994 176.870 -0.304 0.000 1.114 171 L CA 1.549 55.773 54.840 -1.027 0.000 0.777 171 L CB -0.645 40.737 42.059 -1.128 0.000 0.910 171 L HN 0.391 nan 8.230 nan 0.000 0.440 172 E N 0.026 120.116 120.200 -0.183 0.000 2.160 172 E HA -0.202 4.148 4.350 -0.001 0.000 0.195 172 E C 1.820 178.530 176.600 0.183 0.000 0.991 172 E CA 0.817 57.238 56.400 0.035 0.000 0.810 172 E CB -0.040 29.679 29.700 0.030 0.000 0.742 172 E HN 0.359 nan 8.360 nan 0.000 0.466 173 L N -0.607 120.744 121.223 0.214 0.000 2.610 173 L HA -0.046 4.294 4.340 -0.001 0.000 0.232 173 L C 1.611 178.863 176.870 0.637 0.000 1.149 173 L CA 1.034 56.118 54.840 0.407 0.000 0.872 173 L CB -1.189 41.132 42.059 0.438 0.000 0.992 173 L HN 0.330 nan 8.230 nan 0.000 0.447 174 W N -0.765 120.548 121.300 0.022 0.000 2.539 174 W HA -0.019 4.641 4.660 -0.001 0.000 0.281 174 W C 2.186 178.639 176.519 -0.110 0.000 1.220 174 W CA 0.247 57.523 57.345 -0.116 0.000 1.332 174 W CB 0.138 29.430 29.460 -0.280 0.000 1.095 174 W HN 0.315 nan 8.180 nan 0.000 0.571 175 H N -1.062 118.196 119.070 0.313 0.000 2.648 175 H HA 0.184 4.739 4.556 -0.001 0.000 0.265 175 H C 1.839 177.263 175.328 0.160 0.000 0.961 175 H CA 0.785 56.991 56.048 0.263 0.000 1.185 175 H CB 0.635 30.481 29.762 0.139 0.000 1.449 175 H HN 0.193 nan 8.280 nan 0.000 0.523 176 G N 1.519 110.472 108.800 0.254 0.000 2.176 176 G HA2 -0.258 3.701 3.960 -0.001 0.000 0.252 176 G HA3 -0.258 3.701 3.960 -0.001 0.000 0.252 176 G C -0.119 174.854 174.900 0.122 0.000 1.024 176 G CA 0.208 45.373 45.100 0.108 0.000 0.755 176 G HN 0.252 nan 8.290 nan 0.000 0.507 177 L N -0.239 121.085 121.223 0.169 0.000 2.401 177 L HA 0.455 4.795 4.340 -0.001 0.000 0.266 177 L C 0.056 177.015 176.870 0.148 0.000 0.991 177 L CA -1.135 53.798 54.840 0.156 0.000 0.818 177 L CB 1.975 44.142 42.059 0.179 0.000 1.321 177 L HN 0.246 nan 8.230 nan 0.000 0.413 178 D N 1.648 122.138 120.400 0.151 0.000 2.443 178 D HA -0.071 4.569 4.640 -0.001 0.000 0.239 178 D C 1.053 177.554 176.300 0.335 0.000 1.136 178 D CA -0.216 53.909 54.000 0.209 0.000 0.879 178 D CB 0.753 41.662 40.800 0.181 0.000 1.195 178 D HN 0.468 nan 8.370 nan 0.000 0.443 179 W N 4.351 125.715 121.300 0.107 0.000 2.436 179 W HA -0.110 4.550 4.660 -0.001 0.000 0.261 179 W C 0.477 177.096 176.519 0.166 0.000 1.222 179 W CA 0.422 57.898 57.345 0.219 0.000 1.191 179 W CB -0.851 28.819 29.460 0.349 0.000 1.132 179 W HN 0.338 nan 8.180 nan 0.000 0.596 180 K N 0.677 121.176 120.400 0.165 0.000 2.361 180 K HA 0.144 4.463 4.320 -0.001 0.000 0.196 180 K C 1.890 178.464 176.600 -0.042 0.000 1.039 180 K CA 0.619 56.848 56.287 -0.096 0.000 1.001 180 K CB -0.133 32.240 32.500 -0.213 0.000 0.795 180 K HN 0.348 nan 8.250 nan 0.000 0.495 181 L N 0.507 121.730 121.223 0.001 0.000 2.590 181 L HA 0.151 4.491 4.340 -0.001 0.000 0.227 181 L C 0.519 177.404 176.870 0.026 0.000 1.099 181 L CA -0.330 54.445 54.840 -0.109 0.000 0.872 181 L CB 0.102 42.061 42.059 -0.167 0.000 1.088 181 L HN -0.015 nan 8.230 nan 0.000 0.479 182 L N 0.364 121.654 121.223 0.111 0.000 2.305 182 L HA 0.252 4.592 4.340 -0.001 0.000 0.281 182 L C 0.628 177.563 176.870 0.107 0.000 1.085 182 L CA 0.094 54.994 54.840 0.101 0.000 0.813 182 L CB 1.383 43.445 42.059 0.005 0.000 1.157 182 L HN -0.108 nan 8.230 nan 0.000 0.436 183 S N 3.813 119.562 115.700 0.082 0.000 2.516 183 S HA 0.333 4.802 4.470 -0.001 0.000 0.282 183 S C 1.313 175.934 174.600 0.034 0.000 1.286 183 S CA 0.040 58.279 58.200 0.064 0.000 1.066 183 S CB 0.713 63.939 63.200 0.043 0.000 0.884 183 S HN 0.920 nan 8.310 nan 0.000 0.491 184 A N 5.467 128.350 122.820 0.105 0.000 1.898 184 A HA -0.020 4.300 4.320 -0.001 0.000 0.216 184 A C 2.054 179.641 177.584 0.005 0.000 1.181 184 A CA 1.531 53.707 52.037 0.232 0.000 0.620 184 A CB -0.634 18.619 19.000 0.422 0.000 0.819 184 A HN 0.927 nan 8.150 nan 0.000 0.442 185 K N -0.799 119.354 120.400 -0.413 0.000 2.281 185 K HA -0.219 4.101 4.320 -0.001 0.000 0.203 185 K C 1.023 177.460 176.600 -0.272 0.000 1.046 185 K CA 1.739 57.543 56.287 -0.805 0.000 0.938 185 K CB -0.067 32.002 32.500 -0.719 0.000 0.737 185 K HN 0.411 nan 8.250 nan 0.000 0.458 186 D N -1.279 119.059 120.400 -0.105 0.000 2.433 186 D HA 0.042 4.681 4.640 -0.001 0.000 0.211 186 D C 1.011 177.362 176.300 0.084 0.000 1.114 186 D CA 0.325 54.337 54.000 0.019 0.000 0.837 186 D CB 0.406 41.230 40.800 0.040 0.000 0.984 186 D HN 0.041 nan 8.370 nan 0.000 0.505 187 T N -0.381 114.149 114.554 -0.041 0.000 2.652 187 T HA -0.147 4.202 4.350 -0.001 0.000 0.267 187 T C 0.277 174.903 174.700 -0.124 0.000 1.039 187 T CA 1.156 63.105 62.100 -0.252 0.000 1.153 187 T CB -0.334 68.200 68.868 -0.556 0.000 0.863 187 T HN 0.140 nan 8.240 nan 0.000 0.428 188 Y N 0.403 120.754 120.300 0.084 0.000 2.365 188 Y HA 0.454 5.004 4.550 -0.001 0.000 0.340 188 Y C -0.473 175.520 175.900 0.155 0.000 1.016 188 Y CA -1.219 56.953 58.100 0.120 0.000 1.196 188 Y CB 0.297 38.818 38.460 0.101 0.000 1.167 188 Y HN 0.095 nan 8.280 nan 0.000 0.509 189 F N 2.001 122.072 119.950 0.202 0.000 2.518 189 F HA 0.630 5.157 4.527 -0.001 0.000 0.323 189 F C 0.356 176.224 175.800 0.114 0.000 1.129 189 F CA -1.234 56.820 58.000 0.090 0.000 0.920 189 F CB 1.544 40.509 39.000 -0.057 0.000 1.160 189 F HN 0.535 nan 8.300 nan 0.000 0.440 190 G N 3.862 112.603 108.800 -0.099 0.000 2.365 190 G HA2 0.221 4.180 3.960 -0.001 0.000 0.293 190 G HA3 0.221 4.180 3.960 -0.001 0.000 0.293 190 G C -1.002 174.043 174.900 0.241 0.000 1.128 190 G CA -0.194 44.965 45.100 0.099 0.000 0.971 190 G HN 0.734 nan 8.290 nan 0.000 0.422 191 H N 1.432 120.667 119.070 0.275 0.000 2.683 191 H HA 0.124 4.680 4.556 -0.001 0.000 0.339 191 H C 0.707 176.123 175.328 0.148 0.000 1.081 191 H CA 0.133 56.315 56.048 0.223 0.000 1.432 191 H CB 1.270 31.101 29.762 0.114 0.000 1.462 191 H HN 0.380 nan 8.280 nan 0.000 0.557 192 Q N 3.314 123.246 119.800 0.221 0.000 3.223 192 Q HA 0.215 4.555 4.340 -0.001 0.000 0.299 192 Q C 0.541 176.600 176.000 0.098 0.000 1.385 192 Q CA 0.269 56.153 55.803 0.135 0.000 0.942 192 Q CB -0.247 28.553 28.738 0.103 0.000 1.748 192 Q HN 0.990 nan 8.270 nan 0.000 0.523 193 G N 0.883 109.750 108.800 0.112 0.000 2.592 193 G HA2 -0.199 3.760 3.960 -0.001 0.000 0.684 193 G HA3 -0.199 3.760 3.960 -0.001 0.000 0.684 193 G C -0.718 174.220 174.900 0.064 0.000 1.291 193 G CA -1.099 44.045 45.100 0.073 0.000 0.891 193 G HN 0.464 nan 8.290 nan 0.000 0.544 194 R N -0.030 120.508 120.500 0.065 0.000 2.861 194 R HA 0.263 4.603 4.340 -0.001 0.000 0.268 194 R C 0.429 176.711 176.300 -0.030 0.000 1.027 194 R CA 0.443 56.589 56.100 0.076 0.000 1.163 194 R CB 0.092 30.528 30.300 0.227 0.000 1.060 194 R HN 0.610 nan 8.270 nan 0.000 0.483 195 N N -0.776 117.879 118.700 -0.075 0.000 2.466 195 N HA 0.428 5.168 4.740 -0.001 0.000 0.294 195 N C -1.331 173.969 175.510 -0.350 0.000 1.129 195 N CA -0.445 52.498 53.050 -0.177 0.000 0.931 195 N CB 1.935 40.317 38.487 -0.174 0.000 1.193 195 N HN 0.580 nan 8.380 nan 0.000 0.500 196 A N 1.379 123.921 122.820 -0.463 0.000 2.291 196 A HA 0.403 4.723 4.320 -0.001 0.000 0.311 196 A C -1.218 176.348 177.584 -0.031 0.000 1.224 196 A CA -0.565 51.086 52.037 -0.644 0.000 0.821 196 A CB -0.096 18.179 19.000 -1.208 0.000 1.172 196 A HN 0.666 nan 8.150 nan 0.000 0.494 197 F N 3.712 123.646 119.950 -0.027 0.000 2.494 197 F HA 0.453 4.979 4.527 -0.001 0.000 0.369 197 F C 0.831 176.535 175.800 -0.160 0.000 1.098 197 F CA -0.453 57.443 58.000 -0.173 0.000 1.154 197 F CB 0.367 39.308 39.000 -0.099 0.000 1.103 197 F HN 0.725 nan 8.300 nan 0.000 0.549 198 A N 7.414 129.750 122.820 -0.806 0.000 2.492 198 A HA 0.274 4.594 4.320 -0.001 0.000 0.254 198 A C -0.122 177.048 177.584 -0.689 0.000 1.091 198 A CA -0.403 51.222 52.037 -0.686 0.000 0.768 198 A CB -0.134 18.131 19.000 -1.226 0.000 1.028 198 A HN 0.863 nan 8.150 nan 0.000 0.498 199 L N 4.040 125.078 121.223 -0.308 0.000 2.466 199 L HA 0.207 4.547 4.340 -0.001 0.000 0.248 199 L C -0.485 176.272 176.870 -0.190 0.000 1.240 199 L CA -0.201 54.511 54.840 -0.212 0.000 1.180 199 L CB -0.962 41.056 42.059 -0.068 0.000 1.413 199 L HN 0.832 nan 8.230 nan 0.000 0.406 200 N N 0.857 119.409 118.700 -0.246 0.000 3.786 200 N HA -0.188 4.551 4.740 -0.001 0.000 0.262 200 N C -0.093 175.342 175.510 -0.124 0.000 2.006 200 N CA 0.313 53.279 53.050 -0.140 0.000 2.353 200 N CB -0.779 37.659 38.487 -0.081 0.000 0.571 200 N HN 0.373 nan 8.380 nan 0.000 0.516 201 Y N 1.101 121.309 120.300 -0.154 0.000 2.457 201 Y HA -0.136 4.414 4.550 -0.001 0.000 0.292 201 Y C 2.097 177.967 175.900 -0.049 0.000 1.125 201 Y CA 1.346 59.369 58.100 -0.127 0.000 1.254 201 Y CB 0.353 38.718 38.460 -0.158 0.000 1.012 201 Y HN 0.632 nan 8.280 nan 0.000 0.555 202 D N -1.318 119.159 120.400 0.128 0.000 2.182 202 D HA -0.203 4.437 4.640 -0.001 0.000 0.201 202 D C 1.857 178.198 176.300 0.069 0.000 0.986 202 D CA 1.676 55.729 54.000 0.089 0.000 0.847 202 D CB -0.667 40.166 40.800 0.054 0.000 0.942 202 D HN 0.076 nan 8.370 nan 0.000 0.467 203 S N -0.363 115.363 115.700 0.043 0.000 2.402 203 S HA -0.088 4.381 4.470 -0.001 0.000 0.229 203 S C 2.150 176.784 174.600 0.056 0.000 1.021 203 S CA 0.877 59.092 58.200 0.026 0.000 0.974 203 S CB -0.280 62.916 63.200 -0.008 0.000 0.800 203 S HN 0.243 nan 8.310 nan 0.000 0.484 204 V N 1.363 121.338 119.914 0.101 0.000 2.379 204 V HA -0.096 4.024 4.120 -0.001 0.000 0.245 204 V C 2.318 178.506 176.094 0.157 0.000 1.044 204 V CA 1.160 63.548 62.300 0.147 0.000 1.036 204 V CB -0.789 31.182 31.823 0.248 0.000 0.664 204 V HN 0.330 nan 8.190 nan 0.000 0.453 205 V N -0.288 119.719 119.914 0.155 0.000 2.287 205 V HA -0.266 3.853 4.120 -0.001 0.000 0.248 205 V C 2.651 178.799 176.094 0.091 0.000 1.053 205 V CA 1.866 64.245 62.300 0.132 0.000 1.027 205 V CB -0.671 31.218 31.823 0.110 0.000 0.646 205 V HN 0.510 nan 8.190 nan 0.000 0.447 206 Q N -0.230 119.605 119.800 0.058 0.000 2.079 206 Q HA -0.194 4.146 4.340 -0.001 0.000 0.200 206 Q C 2.380 178.380 176.000 -0.000 0.000 0.974 206 Q CA 1.664 57.476 55.803 0.015 0.000 0.840 206 Q CB -0.492 28.248 28.738 0.004 0.000 0.898 206 Q HN 0.626 nan 8.270 nan 0.000 0.430 207 R N 0.463 120.980 120.500 0.028 0.000 2.105 207 R HA -0.103 4.236 4.340 -0.001 0.000 0.239 207 R C 2.143 178.469 176.300 0.043 0.000 1.135 207 R CA 1.119 57.235 56.100 0.027 0.000 0.967 207 R CB -0.121 30.206 30.300 0.045 0.000 0.861 207 R HN 0.220 nan 8.270 nan 0.000 0.442 208 I N 0.287 120.914 120.570 0.094 0.000 2.277 208 I HA -0.095 4.075 4.170 -0.001 0.000 0.243 208 I C 2.612 178.775 176.117 0.077 0.000 1.094 208 I CA 0.842 62.236 61.300 0.156 0.000 1.393 208 I CB -0.459 37.693 38.000 0.254 0.000 1.078 208 I HN 0.240 nan 8.210 nan 0.000 0.417 209 A N 0.519 123.337 122.820 -0.003 0.000 1.873 209 A HA -0.316 4.003 4.320 -0.001 0.000 0.218 209 A C 2.197 179.395 177.584 -0.643 0.000 1.193 209 A CA 1.954 53.835 52.037 -0.260 0.000 0.629 209 A CB -0.828 18.099 19.000 -0.121 0.000 0.826 209 A HN 0.382 nan 8.150 nan 0.000 0.447 210 Q N 0.254 119.861 119.800 -0.321 0.000 2.515 210 Q HA -0.072 4.267 4.340 -0.001 0.000 0.215 210 Q C 1.790 177.637 176.000 -0.254 0.000 0.983 210 Q CA 1.169 56.800 55.803 -0.286 0.000 0.905 210 Q CB -0.364 28.290 28.738 -0.141 0.000 0.961 210 Q HN 0.808 nan 8.270 nan 0.000 0.503 211 S N -0.751 114.827 115.700 -0.203 0.000 2.660 211 S HA 0.223 4.692 4.470 -0.001 0.000 0.227 211 S C 0.002 174.705 174.600 0.171 0.000 0.948 211 S CA -0.650 57.556 58.200 0.010 0.000 0.948 211 S CB -0.373 62.900 63.200 0.123 0.000 0.779 211 S HN 0.291 nan 8.310 nan 0.000 0.487 212 F N -2.670 117.222 119.950 -0.096 0.000 2.686 212 F HA 0.783 5.310 4.527 -0.001 0.000 0.311 212 F C -3.426 171.966 175.800 -0.680 0.000 1.128 212 F CA -2.899 54.804 58.000 -0.495 0.000 0.946 212 F CB -0.255 38.493 39.000 -0.420 0.000 1.336 212 F HN -0.282 nan 8.300 nan 0.000 0.457 213 P HA 0.010 nan 4.420 nan 0.000 0.261 213 P C 0.283 177.445 177.300 -0.229 0.000 1.165 213 P CA 0.345 63.044 63.100 -0.669 0.000 0.759 213 P CB 0.627 31.619 31.700 -1.180 0.000 0.772 214 Q N 3.179 122.880 119.800 -0.164 0.000 1.993 214 Q HA -0.153 4.187 4.340 -0.001 0.000 0.202 214 Q C 1.611 177.664 176.000 0.087 0.000 0.984 214 Q CA 1.697 57.465 55.803 -0.058 0.000 0.837 214 Q CB -0.798 27.898 28.738 -0.069 0.000 0.902 214 Q HN 0.615 nan 8.270 nan 0.000 0.423 215 N N -0.509 118.245 118.700 0.091 0.000 2.651 215 N HA -0.186 4.554 4.740 -0.001 0.000 0.193 215 N C 1.102 176.783 175.510 0.284 0.000 1.149 215 N CA 0.698 53.839 53.050 0.152 0.000 0.933 215 N CB -0.455 38.106 38.487 0.123 0.000 0.974 215 N HN 0.253 nan 8.380 nan 0.000 0.448 216 W N 0.782 122.118 121.300 0.059 0.000 2.584 216 W HA 0.281 4.940 4.660 -0.001 0.000 0.264 216 W C 0.647 177.201 176.519 0.059 0.000 1.264 216 W CA -0.302 57.078 57.345 0.057 0.000 1.306 216 W CB -0.503 29.036 29.460 0.131 0.000 1.110 216 W HN 0.021 nan 8.180 nan 0.000 0.606 217 L N 2.015 123.436 121.223 0.329 0.000 2.305 217 L HA 0.276 4.615 4.340 -0.001 0.000 0.281 217 L C -0.031 176.899 176.870 0.101 0.000 1.085 217 L CA 0.271 55.234 54.840 0.206 0.000 0.813 217 L CB 0.664 42.843 42.059 0.199 0.000 1.157 217 L HN -0.402 nan 8.230 nan 0.000 0.436 218 K N 6.503 126.934 120.400 0.051 0.000 2.626 218 K HA 0.359 4.678 4.320 -0.001 0.000 0.223 218 K C -1.039 175.571 176.600 0.017 0.000 0.992 218 K CA -0.381 55.923 56.287 0.028 0.000 1.024 218 K CB 0.447 32.944 32.500 -0.005 0.000 1.225 218 K HN 0.645 nan 8.250 nan 0.000 0.498 219 L N 0.904 122.143 121.223 0.026 0.000 2.479 219 L HA 0.181 4.521 4.340 -0.001 0.000 0.248 219 L C 1.192 178.062 176.870 0.000 0.000 1.205 219 L CA -0.279 54.569 54.840 0.012 0.000 0.817 219 L CB 0.263 42.335 42.059 0.022 0.000 1.162 219 L HN 0.687 nan 8.230 nan 0.000 0.486 220 S N -0.910 114.781 115.700 -0.015 0.000 3.419 220 S HA -0.211 4.258 4.470 -0.001 0.000 0.350 220 S C 0.012 174.598 174.600 -0.025 0.000 1.128 220 S CA 0.924 59.111 58.200 -0.021 0.000 0.999 220 S CB -1.208 61.994 63.200 0.004 0.000 0.923 220 S HN 0.740 nan 8.310 nan 0.000 0.522 221 c N 2.071 120.649 118.600 -0.037 0.000 2.264 221 c HA 0.639 5.209 4.570 -0.001 0.000 0.324 221 c C 0.084 174.132 174.090 -0.069 0.000 1.267 221 c CA -0.793 55.522 56.329 -0.023 0.000 1.618 221 c CB 0.663 43.180 42.510 0.012 0.000 2.278 221 c HN 0.549 nan 8.230 nan 0.000 0.499 222 E N 4.964 125.126 120.200 -0.063 0.000 2.081 222 E HA 0.395 4.744 4.350 -0.001 0.000 0.281 222 E C -0.632 175.945 176.600 -0.038 0.000 0.986 222 E CA -0.324 56.022 56.400 -0.090 0.000 0.796 222 E CB 1.214 30.887 29.700 -0.044 0.000 1.085 222 E HN 0.738 nan 8.360 nan 0.000 0.398 223 V N 6.068 125.952 119.914 -0.050 0.000 2.572 223 V HA -0.034 4.086 4.120 -0.001 0.000 0.291 223 V C 1.210 177.285 176.094 -0.033 0.000 1.039 223 V CA 0.669 62.945 62.300 -0.039 0.000 1.055 223 V CB 0.935 32.723 31.823 -0.059 0.000 0.969 223 V HN 0.764 nan 8.190 nan 0.000 0.482 224 K N 2.544 122.921 120.400 -0.038 0.000 2.425 224 K HA 0.288 4.607 4.320 -0.001 0.000 0.201 224 K C 0.422 176.973 176.600 -0.081 0.000 1.128 224 K CA 0.307 56.572 56.287 -0.036 0.000 1.000 224 K CB 0.858 33.351 32.500 -0.012 0.000 0.961 224 K HN 0.656 nan 8.250 nan 0.000 0.555 225 S N 0.362 115.992 115.700 -0.116 0.000 2.537 225 S HA 0.589 5.059 4.470 -0.001 0.000 0.270 225 S C -1.100 173.373 174.600 -0.212 0.000 1.142 225 S CA -0.930 57.169 58.200 -0.168 0.000 0.870 225 S CB 1.384 64.527 63.200 -0.096 0.000 1.112 225 S HN 0.190 nan 8.310 nan 0.000 0.466 226 I N 2.120 122.503 120.570 -0.311 0.000 2.500 226 I HA 0.406 4.575 4.170 -0.001 0.000 0.286 226 I C -0.899 175.130 176.117 -0.146 0.000 1.063 226 I CA -0.384 60.755 61.300 -0.270 0.000 1.062 226 I CB 2.482 40.210 38.000 -0.454 0.000 1.223 226 I HN 0.711 nan 8.210 nan 0.000 0.435 227 T N 4.384 118.897 114.554 -0.067 0.000 2.824 227 T HA 0.429 4.779 4.350 -0.001 0.000 0.282 227 T C -0.361 174.335 174.700 -0.007 0.000 0.993 227 T CA -0.691 61.400 62.100 -0.015 0.000 0.967 227 T CB 1.849 70.707 68.868 -0.017 0.000 0.960 227 T HN 0.357 nan 8.240 nan 0.000 0.441 228 R N 2.981 123.491 120.500 0.017 0.000 2.198 228 R HA 0.297 4.637 4.340 -0.001 0.000 0.339 228 R C -0.316 175.981 176.300 -0.005 0.000 1.020 228 R CA -0.392 55.709 56.100 0.002 0.000 0.864 228 R CB 0.115 30.425 30.300 0.018 0.000 1.105 228 R HN 0.408 nan 8.270 nan 0.000 0.463 229 E N 6.431 126.619 120.200 -0.020 0.000 2.338 229 E HA 0.107 4.457 4.350 -0.001 0.000 0.272 229 E C -1.702 174.887 176.600 -0.019 0.000 1.029 229 E CA -2.346 54.044 56.400 -0.018 0.000 0.872 229 E CB 0.800 30.487 29.700 -0.023 0.000 1.015 229 E HN 0.489 nan 8.360 nan 0.000 0.417 230 P HA -0.125 nan 4.420 nan 0.000 0.228 230 P C 0.567 177.858 177.300 -0.015 0.000 1.151 230 P CA 0.859 63.953 63.100 -0.010 0.000 0.770 230 P CB 0.229 31.926 31.700 -0.005 0.000 0.786 231 S N -0.591 115.098 115.700 -0.018 0.000 2.840 231 S HA 0.114 4.583 4.470 -0.001 0.000 0.235 231 S C 0.511 175.093 174.600 -0.030 0.000 0.968 231 S CA -0.409 57.779 58.200 -0.020 0.000 1.026 231 S CB -0.882 62.307 63.200 -0.018 0.000 0.788 231 S HN -0.072 nan 8.310 nan 0.000 0.487 232 K N 0.965 121.342 120.400 -0.039 0.000 3.148 232 K HA -0.132 4.187 4.320 -0.001 0.000 0.267 232 K C -0.824 175.722 176.600 -0.090 0.000 0.996 232 K CA 0.730 56.979 56.287 -0.063 0.000 0.737 232 K CB -2.515 29.955 32.500 -0.049 0.000 1.308 232 K HN 0.674 nan 8.250 nan 0.000 0.470 233 N N -1.077 117.573 118.700 -0.083 0.000 2.610 233 N HA 0.487 5.227 4.740 -0.001 0.000 0.264 233 N C -0.970 174.491 175.510 -0.082 0.000 1.348 233 N CA -0.664 52.332 53.050 -0.091 0.000 0.819 233 N CB 2.150 40.602 38.487 -0.058 0.000 1.521 233 N HN -0.121 nan 8.380 nan 0.000 0.497 234 V N 0.800 120.665 119.914 -0.082 0.000 2.540 234 V HA 0.494 4.613 4.120 -0.001 0.000 0.302 234 V C -0.309 175.758 176.094 -0.045 0.000 1.035 234 V CA -0.459 61.802 62.300 -0.065 0.000 0.873 234 V CB 1.912 33.687 31.823 -0.080 0.000 0.992 234 V HN 0.663 nan 8.190 nan 0.000 0.428 235 T N 4.178 118.709 114.554 -0.037 0.000 2.795 235 T HA 0.669 5.019 4.350 -0.001 0.000 0.282 235 T C -0.432 174.249 174.700 -0.033 0.000 0.980 235 T CA -0.402 61.683 62.100 -0.026 0.000 1.012 235 T CB 1.535 70.387 68.868 -0.027 0.000 0.936 235 T HN 0.365 nan 8.240 nan 0.000 0.457 236 V N 4.125 124.040 119.914 0.001 0.000 2.656 236 V HA 0.517 4.636 4.120 -0.001 0.000 0.307 236 V C -0.579 175.544 176.094 0.048 0.000 1.051 236 V CA -1.039 61.261 62.300 0.000 0.000 0.893 236 V CB 2.053 33.878 31.823 0.003 0.000 0.999 236 V HN 0.804 nan 8.190 nan 0.000 0.426 237 N N 1.923 120.628 118.700 0.009 0.000 2.399 237 N HA 0.420 5.160 4.740 -0.001 0.000 0.280 237 N C -0.713 174.810 175.510 0.022 0.000 1.008 237 N CA -0.298 52.759 53.050 0.012 0.000 0.894 237 N CB 1.912 40.385 38.487 -0.023 0.000 1.273 237 N HN 0.593 nan 8.380 nan 0.000 0.486 238 c N 0.991 119.625 118.600 0.057 0.000 2.580 238 c HA 0.046 4.615 4.570 -0.001 0.000 0.371 238 c C 2.250 176.348 174.090 0.014 0.000 1.308 238 c CA -0.250 56.107 56.329 0.046 0.000 2.428 238 c CB 0.412 42.975 42.510 0.087 0.000 2.529 238 c HN 0.799 nan 8.230 nan 0.000 0.657 239 E N 1.094 121.300 120.200 0.011 0.000 2.208 239 E HA -0.167 4.183 4.350 -0.001 0.000 0.193 239 E C 0.700 177.304 176.600 0.006 0.000 0.988 239 E CA 1.676 58.082 56.400 0.009 0.000 0.828 239 E CB -0.431 29.281 29.700 0.020 0.000 0.763 239 E HN 0.743 nan 8.360 nan 0.000 0.478 240 D N 0.171 120.577 120.400 0.009 0.000 2.826 240 D HA 0.113 4.753 4.640 -0.001 0.000 0.247 240 D C 1.312 177.605 176.300 -0.012 0.000 1.238 240 D CA 0.498 54.500 54.000 0.003 0.000 0.894 240 D CB -0.366 40.441 40.800 0.011 0.000 1.100 240 D HN 0.362 nan 8.370 nan 0.000 0.453 241 G N 0.214 109.003 108.800 -0.018 0.000 2.587 241 G HA2 -0.403 3.556 3.960 -0.001 0.000 0.246 241 G HA3 -0.403 3.556 3.960 -0.001 0.000 0.246 241 G C 0.731 175.591 174.900 -0.066 0.000 1.058 241 G CA 1.101 46.179 45.100 -0.036 0.000 0.658 241 G HN 0.926 nan 8.290 nan 0.000 0.538 242 T N -0.360 114.142 114.554 -0.086 0.000 2.908 242 T HA 0.414 4.763 4.350 -0.001 0.000 0.325 242 T C 0.129 174.692 174.700 -0.228 0.000 1.092 242 T CA 0.554 62.537 62.100 -0.196 0.000 1.125 242 T CB 1.206 69.916 68.868 -0.263 0.000 1.016 242 T HN 1.110 nan 8.240 nan 0.000 0.550 243 V N 4.455 124.151 119.914 -0.362 0.000 2.638 243 V HA 0.543 4.663 4.120 -0.001 0.000 0.306 243 V C -1.125 174.735 176.094 -0.390 0.000 1.052 243 V CA -0.986 61.161 62.300 -0.253 0.000 0.885 243 V CB 1.372 33.109 31.823 -0.144 0.000 0.999 243 V HN 0.957 nan 8.190 nan 0.000 0.424 244 Y N 1.974 122.241 120.300 -0.055 0.000 2.562 244 Y HA 0.624 5.173 4.550 -0.001 0.000 0.343 244 Y C 0.137 175.999 175.900 -0.063 0.000 1.025 244 Y CA -0.828 57.236 58.100 -0.060 0.000 1.082 244 Y CB 2.026 40.443 38.460 -0.072 0.000 1.264 244 Y HN 0.648 nan 8.280 nan 0.000 0.478 245 N N 0.726 119.494 118.700 0.113 0.000 2.296 245 N HA 0.778 5.518 4.740 -0.001 0.000 0.294 245 N C -1.727 173.789 175.510 0.009 0.000 1.033 245 N CA -0.334 52.735 53.050 0.031 0.000 0.839 245 N CB 1.526 40.017 38.487 0.006 0.000 1.395 245 N HN 0.828 nan 8.380 nan 0.000 0.479 246 A N 1.924 124.727 122.820 -0.029 0.000 2.556 246 A HA 0.419 4.739 4.320 -0.001 0.000 0.294 246 A C -0.114 177.417 177.584 -0.089 0.000 1.091 246 A CA -0.580 51.424 52.037 -0.054 0.000 0.704 246 A CB 1.078 20.036 19.000 -0.070 0.000 1.300 246 A HN 0.691 nan 8.150 nan 0.000 0.406 247 D N -0.656 119.693 120.400 -0.085 0.000 2.162 247 D HA 0.080 4.719 4.640 -0.001 0.000 0.203 247 D C -0.595 175.423 176.300 -0.470 0.000 0.967 247 D CA 2.072 55.941 54.000 -0.217 0.000 0.840 247 D CB 0.107 40.877 40.800 -0.050 0.000 0.972 247 D HN 0.515 nan 8.370 nan 0.000 0.482 248 Y N -0.873 119.377 120.300 -0.084 0.000 2.534 248 Y HA 0.361 4.911 4.550 -0.001 0.000 0.345 248 Y C -0.287 175.539 175.900 -0.123 0.000 1.031 248 Y CA -1.306 56.736 58.100 -0.096 0.000 1.022 248 Y CB 2.216 40.617 38.460 -0.097 0.000 1.292 248 Y HN -0.327 nan 8.280 nan 0.000 0.459 249 V N 0.461 120.393 119.914 0.029 0.000 2.709 249 V HA 0.690 4.810 4.120 -0.001 0.000 0.308 249 V C -1.021 175.020 176.094 -0.090 0.000 1.062 249 V CA -0.994 61.271 62.300 -0.059 0.000 0.901 249 V CB 2.036 33.807 31.823 -0.086 0.000 1.003 249 V HN 0.701 nan 8.190 nan 0.000 0.425 250 I N 5.031 125.539 120.570 -0.102 0.000 2.428 250 I HA 0.429 4.598 4.170 -0.001 0.000 0.279 250 I C -0.809 175.267 176.117 -0.069 0.000 1.040 250 I CA -0.410 60.827 61.300 -0.105 0.000 1.171 250 I CB 1.488 39.435 38.000 -0.089 0.000 1.312 250 I HN 0.522 nan 8.210 nan 0.000 0.470 251 I N 5.232 125.756 120.570 -0.077 0.000 2.452 251 I HA 0.047 4.216 4.170 -0.001 0.000 0.287 251 I C 1.418 177.656 176.117 0.202 0.000 1.079 251 I CA 0.510 61.860 61.300 0.084 0.000 1.387 251 I CB 1.118 39.247 38.000 0.215 0.000 1.404 251 I HN 0.583 nan 8.210 nan 0.000 0.522 252 T N 3.048 117.705 114.554 0.171 0.000 3.182 252 T HA 0.263 4.613 4.350 -0.001 0.000 0.277 252 T C 0.239 175.079 174.700 0.233 0.000 1.013 252 T CA -0.374 61.848 62.100 0.203 0.000 0.900 252 T CB -0.579 68.362 68.868 0.122 0.000 1.098 252 T HN 0.322 nan 8.240 nan 0.000 0.543 253 V N -0.360 119.693 119.914 0.231 0.000 2.843 253 V HA 0.446 4.565 4.120 -0.001 0.000 0.305 253 V C -2.550 173.637 176.094 0.156 0.000 1.065 253 V CA -1.992 60.418 62.300 0.182 0.000 1.116 253 V CB -0.248 31.677 31.823 0.169 0.000 0.968 253 V HN 0.059 nan 8.190 nan 0.000 0.487 254 P HA 0.017 nan 4.420 nan 0.000 0.267 254 P C 0.712 177.838 177.300 -0.290 0.000 1.201 254 P CA 0.242 63.317 63.100 -0.042 0.000 0.775 254 P CB 0.335 32.041 31.700 0.010 0.000 0.854 255 Q N 2.067 121.518 119.800 -0.582 0.000 2.181 255 Q HA -0.220 4.120 4.340 -0.001 0.000 0.205 255 Q C 1.663 177.453 176.000 -0.350 0.000 0.980 255 Q CA 2.352 57.865 55.803 -0.483 0.000 0.862 255 Q CB -0.283 28.311 28.738 -0.239 0.000 0.905 255 Q HN 0.582 nan 8.270 nan 0.000 0.429 256 S N -1.054 114.124 115.700 -0.869 0.000 2.383 256 S HA -0.091 4.378 4.470 -0.001 0.000 0.227 256 S C 1.886 176.279 174.600 -0.346 0.000 1.026 256 S CA 1.215 58.968 58.200 -0.746 0.000 0.981 256 S CB -0.387 62.145 63.200 -1.114 0.000 0.818 256 S HN 0.248 nan 8.310 nan 0.000 0.472 257 V N 1.432 121.202 119.914 -0.239 0.000 2.407 257 V HA 0.044 4.163 4.120 -0.001 0.000 0.245 257 V C 2.394 178.463 176.094 -0.041 0.000 1.041 257 V CA 1.237 63.485 62.300 -0.087 0.000 1.040 257 V CB -0.770 31.062 31.823 0.014 0.000 0.671 257 V HN 0.433 nan 8.190 nan 0.000 0.455 258 L N 1.339 122.564 121.223 0.004 0.000 2.187 258 L HA -0.156 4.183 4.340 -0.001 0.000 0.213 258 L C 2.073 178.883 176.870 -0.100 0.000 1.100 258 L CA 1.992 56.895 54.840 0.105 0.000 0.765 258 L CB -1.122 41.076 42.059 0.232 0.000 0.904 258 L HN 0.428 nan 8.230 nan 0.000 0.437 259 N N -0.474 118.031 118.700 -0.325 0.000 2.166 259 N HA -0.197 4.543 4.740 -0.001 0.000 0.186 259 N C 1.755 176.945 175.510 -0.533 0.000 1.019 259 N CA 1.440 53.941 53.050 -0.916 0.000 0.856 259 N CB -0.296 37.815 38.487 -0.627 0.000 0.993 259 N HN 0.475 nan 8.380 nan 0.000 0.426 260 L N -0.299 120.768 121.223 -0.261 0.000 2.261 260 L HA -0.137 4.203 4.340 -0.001 0.000 0.216 260 L C 2.043 178.852 176.870 -0.101 0.000 1.114 260 L CA 0.737 55.489 54.840 -0.148 0.000 0.777 260 L CB -0.428 41.586 42.059 -0.076 0.000 0.910 260 L HN 0.177 nan 8.230 nan 0.000 0.440 261 S N -0.119 115.533 115.700 -0.080 0.000 2.402 261 S HA -0.124 4.345 4.470 -0.001 0.000 0.229 261 S C 1.877 176.458 174.600 -0.030 0.000 1.021 261 S CA 1.399 59.618 58.200 0.032 0.000 0.974 261 S CB -0.197 63.114 63.200 0.184 0.000 0.800 261 S HN 0.487 nan 8.310 nan 0.000 0.484 262 V N -0.736 119.083 119.914 -0.158 0.000 3.510 262 V HA 0.148 4.268 4.120 -0.001 0.000 0.270 262 V C 0.198 176.241 176.094 -0.086 0.000 1.201 262 V CA 0.360 62.584 62.300 -0.126 0.000 1.166 262 V CB -0.667 31.037 31.823 -0.199 0.000 0.825 262 V HN 0.207 nan 8.190 nan 0.000 0.484 263 Q N 1.754 121.504 119.800 -0.084 0.000 2.257 263 Q HA 0.558 4.897 4.340 -0.001 0.000 0.262 263 Q C -2.664 173.321 176.000 -0.025 0.000 0.997 263 Q CA -1.974 53.797 55.803 -0.053 0.000 0.873 263 Q CB 1.759 30.460 28.738 -0.063 0.000 1.312 263 Q HN 0.260 nan 8.270 nan 0.000 0.450 264 P HA 0.221 nan 4.420 nan 0.000 0.293 264 P C -1.225 176.070 177.300 -0.007 0.000 1.313 264 P CA -0.193 62.904 63.100 -0.005 0.000 0.787 264 P CB 0.730 32.429 31.700 -0.002 0.000 0.910 265 E N 2.104 122.302 120.200 -0.004 0.000 3.231 265 E HA -0.020 4.329 4.350 -0.001 0.000 0.243 265 E C 0.091 176.690 176.600 -0.002 0.000 1.208 265 E CA -0.177 56.220 56.400 -0.005 0.000 0.544 265 E CB -0.134 29.559 29.700 -0.011 0.000 0.905 265 E HN 0.379 nan 8.360 nan 0.000 0.535 266 K N 0.305 120.706 120.400 0.002 0.000 2.288 266 K HA -0.031 4.289 4.320 -0.001 0.000 0.201 266 K C 0.995 177.599 176.600 0.005 0.000 1.048 266 K CA 0.529 56.819 56.287 0.006 0.000 0.956 266 K CB -0.033 32.470 32.500 0.006 0.000 0.746 266 K HN 0.056 nan 8.250 nan 0.000 0.461 267 N N 1.387 120.089 118.700 0.002 0.000 3.052 267 N HA 0.106 4.845 4.740 -0.001 0.000 0.302 267 N C -1.340 174.170 175.510 0.000 0.000 1.332 267 N CA -0.013 53.039 53.050 0.004 0.000 1.129 267 N CB -0.070 38.418 38.487 0.001 0.000 1.436 267 N HN 0.004 nan 8.380 nan 0.000 0.536 268 L N 1.020 122.244 121.223 0.002 0.000 2.322 268 L HA 0.482 4.821 4.340 -0.001 0.000 0.281 268 L C 0.418 177.291 176.870 0.006 0.000 1.014 268 L CA -1.028 53.806 54.840 -0.009 0.000 0.815 268 L CB 1.613 43.661 42.059 -0.018 0.000 1.247 268 L HN 0.087 nan 8.230 nan 0.000 0.421 269 R N 2.220 122.711 120.500 -0.015 0.000 2.502 269 R HA 0.186 4.526 4.340 -0.001 0.000 0.292 269 R C 1.097 177.428 176.300 0.051 0.000 0.998 269 R CA 0.947 57.049 56.100 0.004 0.000 1.056 269 R CB 0.062 30.280 30.300 -0.135 0.000 0.939 269 R HN 1.009 nan 8.270 nan 0.000 0.411 270 G N 2.398 111.366 108.800 0.280 0.000 2.299 270 G HA2 -0.353 3.606 3.960 -0.001 0.000 0.237 270 G HA3 -0.353 3.606 3.960 -0.001 0.000 0.237 270 G C 0.348 175.342 174.900 0.155 0.000 1.027 270 G CA 0.128 45.431 45.100 0.339 0.000 0.619 270 G HN 0.611 nan 8.290 nan 0.000 0.513 271 R N 0.955 121.508 120.500 0.087 0.000 2.570 271 R HA 0.452 4.791 4.340 -0.001 0.000 0.277 271 R C -0.151 176.176 176.300 0.046 0.000 1.039 271 R CA 0.159 56.294 56.100 0.057 0.000 1.065 271 R CB -0.029 30.288 30.300 0.029 0.000 0.964 271 R HN 0.335 nan 8.270 nan 0.000 0.428 272 I N 3.460 124.062 120.570 0.053 0.000 2.389 272 I HA 0.138 4.307 4.170 -0.001 0.000 0.288 272 I C -0.424 175.675 176.117 -0.030 0.000 0.999 272 I CA -0.827 60.442 61.300 -0.051 0.000 1.129 272 I CB 1.864 39.773 38.000 -0.151 0.000 1.288 272 I HN 0.605 nan 8.210 nan 0.000 0.444 273 E N 6.567 126.721 120.200 -0.076 0.000 2.129 273 E HA 0.289 4.638 4.350 -0.001 0.000 0.283 273 E C -1.479 175.090 176.600 -0.052 0.000 1.080 273 E CA -0.028 56.373 56.400 0.001 0.000 0.867 273 E CB 0.338 30.033 29.700 -0.007 0.000 1.056 273 E HN 0.215 nan 8.360 nan 0.000 0.404 274 F N 3.324 123.297 119.950 0.037 0.000 2.394 274 F HA 0.390 4.916 4.527 -0.001 0.000 0.340 274 F C 0.434 176.253 175.800 0.031 0.000 1.105 274 F CA -0.272 57.754 58.000 0.044 0.000 1.124 274 F CB 1.404 40.448 39.000 0.074 0.000 1.145 274 F HN 0.289 nan 8.300 nan 0.000 0.505 275 Q N 4.775 124.694 119.800 0.197 0.000 2.350 275 Q HA 0.274 4.614 4.340 -0.001 0.000 0.255 275 Q C -2.628 173.435 176.000 0.106 0.000 0.951 275 Q CA -2.018 53.855 55.803 0.117 0.000 0.751 275 Q CB 2.308 31.081 28.738 0.058 0.000 1.296 275 Q HN 0.288 nan 8.270 nan 0.000 0.453 276 P HA 0.185 nan 4.420 nan 0.000 0.272 276 P C -2.473 174.910 177.300 0.139 0.000 1.230 276 P CA -1.089 62.068 63.100 0.096 0.000 0.788 276 P CB 0.106 31.846 31.700 0.065 0.000 0.949 277 P HA 0.078 nan 4.420 nan 0.000 0.269 277 P C 0.176 177.501 177.300 0.042 0.000 1.215 277 P CA 0.022 63.188 63.100 0.109 0.000 0.780 277 P CB 0.496 32.239 31.700 0.071 0.000 0.898 278 L N 2.021 123.216 121.223 -0.046 0.000 2.640 278 L HA -0.060 4.280 4.340 -0.001 0.000 0.280 278 L C 1.480 178.327 176.870 -0.038 0.000 1.229 278 L CA 0.436 55.198 54.840 -0.129 0.000 0.919 278 L CB -0.598 41.331 42.059 -0.217 0.000 1.168 278 L HN 0.369 nan 8.230 nan 0.000 0.496 279 K N 5.479 125.866 120.400 -0.020 0.000 2.580 279 K HA -0.095 4.224 4.320 -0.001 0.000 0.278 279 K C -1.234 175.363 176.600 -0.005 0.000 0.960 279 K CA -0.775 55.510 56.287 -0.003 0.000 0.988 279 K CB 0.148 32.650 32.500 0.002 0.000 0.887 279 K HN 0.422 nan 8.250 nan 0.000 0.509 280 P HA -0.157 nan 4.420 nan 0.000 0.216 280 P C 1.244 178.542 177.300 -0.003 0.000 1.150 280 P CA 1.093 64.196 63.100 0.006 0.000 0.837 280 P CB 0.091 31.795 31.700 0.007 0.000 0.786 281 V N -0.014 119.890 119.914 -0.017 0.000 2.469 281 V HA -0.210 3.909 4.120 -0.001 0.000 0.251 281 V C 2.612 178.665 176.094 -0.069 0.000 1.064 281 V CA 1.499 63.777 62.300 -0.036 0.000 1.066 281 V CB -0.889 30.913 31.823 -0.036 0.000 0.667 281 V HN 0.038 nan 8.190 nan 0.000 0.461 282 I N -1.036 119.492 120.570 -0.071 0.000 2.339 282 I HA -0.182 3.987 4.170 -0.001 0.000 0.245 282 I C 2.658 178.771 176.117 -0.006 0.000 1.096 282 I CA 1.068 62.291 61.300 -0.128 0.000 1.408 282 I CB -0.347 37.566 38.000 -0.145 0.000 1.092 282 I HN 0.312 nan 8.210 nan 0.000 0.423 283 Q N 0.796 120.654 119.800 0.096 0.000 2.014 283 Q HA -0.258 4.081 4.340 -0.001 0.000 0.207 283 Q C 1.703 177.831 176.000 0.213 0.000 0.993 283 Q CA 1.853 57.783 55.803 0.212 0.000 0.850 283 Q CB -0.283 28.503 28.738 0.081 0.000 0.916 283 Q HN 0.490 nan 8.270 nan 0.000 0.417 284 D N 0.243 120.689 120.400 0.076 0.000 2.263 284 D HA -0.088 4.552 4.640 -0.001 0.000 0.208 284 D C 1.594 177.894 176.300 -0.000 0.000 0.971 284 D CA 1.002 55.028 54.000 0.044 0.000 0.867 284 D CB -0.160 40.648 40.800 0.015 0.000 0.929 284 D HN 0.262 nan 8.370 nan 0.000 0.492 285 A N 0.069 122.840 122.820 -0.083 0.000 2.067 285 A HA -0.113 4.206 4.320 -0.001 0.000 0.219 285 A C 1.792 179.226 177.584 -0.249 0.000 1.158 285 A CA 0.572 52.488 52.037 -0.201 0.000 0.661 285 A CB -0.904 17.904 19.000 -0.320 0.000 0.801 285 A HN 0.163 nan 8.150 nan 0.000 0.452 286 F N 0.441 120.316 119.950 -0.125 0.000 2.451 286 F HA -0.107 4.420 4.527 -0.001 0.000 0.299 286 F C 1.519 177.196 175.800 -0.205 0.000 1.101 286 F CA 1.085 58.985 58.000 -0.166 0.000 1.436 286 F CB 0.069 38.991 39.000 -0.130 0.000 1.074 286 F HN 0.232 nan 8.300 nan 0.000 0.553 287 D N -0.358 120.060 120.400 0.031 0.000 2.347 287 D HA -0.038 4.602 4.640 -0.001 0.000 0.213 287 D C 1.549 177.828 176.300 -0.035 0.000 0.985 287 D CA 0.659 54.673 54.000 0.023 0.000 0.879 287 D CB -0.003 40.833 40.800 0.060 0.000 0.919 287 D HN 0.182 nan 8.370 nan 0.000 0.526 288 K N 0.548 120.884 120.400 -0.106 0.000 2.455 288 K HA 0.279 4.599 4.320 -0.001 0.000 0.206 288 K C 0.547 177.057 176.600 -0.149 0.000 1.027 288 K CA -0.151 56.080 56.287 -0.093 0.000 1.113 288 K CB 1.141 33.602 32.500 -0.066 0.000 0.850 288 K HN 0.324 nan 8.250 nan 0.000 0.503 289 I N -3.982 116.402 120.570 -0.310 0.000 2.842 289 I HA 0.377 4.546 4.170 -0.001 0.000 0.296 289 I C -0.928 174.860 176.117 -0.548 0.000 1.538 289 I CA -0.889 60.237 61.300 -0.290 0.000 0.994 289 I CB 1.872 39.773 38.000 -0.167 0.000 1.372 289 I HN -0.165 nan 8.210 nan 0.000 0.478 290 H N 2.066 120.973 119.070 -0.272 0.000 3.218 290 H HA 0.604 5.160 4.556 -0.001 0.000 0.303 290 H C -1.722 173.586 175.328 -0.034 0.000 1.605 290 H CA -0.543 55.314 56.048 -0.317 0.000 1.298 290 H CB 2.103 31.190 29.762 -1.125 0.000 1.856 290 H HN 0.488 nan 8.280 nan 0.000 0.656 291 F N 0.192 120.101 119.950 -0.069 0.000 2.495 291 F HA 0.475 5.002 4.527 -0.001 0.000 0.327 291 F C 0.716 176.533 175.800 0.028 0.000 1.103 291 F CA -0.372 57.621 58.000 -0.011 0.000 0.949 291 F CB 1.779 40.787 39.000 0.013 0.000 1.142 291 F HN 0.517 nan 8.300 nan 0.000 0.457 292 G N 1.129 109.867 108.800 -0.104 0.000 2.488 292 G HA2 0.575 4.535 3.960 -0.001 0.000 0.318 292 G HA3 0.575 4.535 3.960 -0.001 0.000 0.318 292 G C -1.307 173.527 174.900 -0.110 0.000 1.188 292 G CA -0.621 44.447 45.100 -0.053 0.000 0.944 292 G HN 0.861 nan 8.290 nan 0.000 0.495 293 A N 0.548 123.346 122.820 -0.038 0.000 3.165 293 A HA 0.512 4.831 4.320 -0.001 0.000 0.331 293 A C -0.362 177.214 177.584 -0.014 0.000 1.034 293 A CA -0.444 51.591 52.037 -0.004 0.000 0.906 293 A CB 0.042 19.094 19.000 0.088 0.000 1.054 293 A HN 0.615 nan 8.150 nan 0.000 0.484 294 L N 1.631 122.768 121.223 -0.143 0.000 2.367 294 L HA 0.656 4.995 4.340 -0.001 0.000 0.275 294 L C 0.510 177.442 176.870 0.102 0.000 1.129 294 L CA 0.654 55.485 54.840 -0.014 0.000 0.839 294 L CB 0.923 42.950 42.059 -0.053 0.000 1.133 294 L HN 0.455 nan 8.230 nan 0.000 0.453 295 G N 4.152 113.048 108.800 0.159 0.000 2.658 295 G HA2 0.632 4.592 3.960 -0.001 0.000 0.292 295 G HA3 0.632 4.592 3.960 -0.001 0.000 0.292 295 G C -1.451 173.546 174.900 0.162 0.000 1.320 295 G CA -0.747 44.472 45.100 0.197 0.000 0.933 295 G HN 0.552 nan 8.290 nan 0.000 0.476 296 K N -0.814 119.663 120.400 0.127 0.000 2.443 296 K HA 0.749 5.069 4.320 -0.001 0.000 0.251 296 K C -1.495 175.051 176.600 -0.089 0.000 0.972 296 K CA -0.841 55.474 56.287 0.046 0.000 0.833 296 K CB 3.052 35.612 32.500 0.100 0.000 1.317 296 K HN 0.274 nan 8.250 nan 0.000 0.441 297 V N 2.532 122.326 119.914 -0.199 0.000 2.777 297 V HA 0.372 4.492 4.120 -0.001 0.000 0.306 297 V C -1.191 174.614 176.094 -0.482 0.000 1.112 297 V CA -0.935 61.109 62.300 -0.426 0.000 0.917 297 V CB 1.967 33.386 31.823 -0.674 0.000 1.018 297 V HN 0.595 nan 8.190 nan 0.000 0.426 298 I N 4.292 124.524 120.570 -0.564 0.000 2.362 298 I HA 0.464 4.633 4.170 -0.001 0.000 0.289 298 I C -0.745 175.025 176.117 -0.579 0.000 0.994 298 I CA -0.514 60.492 61.300 -0.489 0.000 1.158 298 I CB 1.068 38.675 38.000 -0.655 0.000 1.315 298 I HN 0.445 nan 8.210 nan 0.000 0.451 299 F N 4.438 124.304 119.950 -0.140 0.000 2.303 299 F HA 0.338 4.864 4.527 -0.001 0.000 0.368 299 F C 0.964 176.550 175.800 -0.357 0.000 1.105 299 F CA -0.591 57.264 58.000 -0.240 0.000 1.153 299 F CB 0.520 39.463 39.000 -0.096 0.000 1.362 299 F HN 0.389 nan 8.300 nan 0.000 0.511 300 E N 3.171 123.210 120.200 -0.269 0.000 2.259 300 E HA 0.306 4.656 4.350 -0.001 0.000 0.281 300 E C -0.859 175.491 176.600 -0.417 0.000 1.037 300 E CA -0.185 56.114 56.400 -0.168 0.000 0.854 300 E CB 1.027 30.687 29.700 -0.068 0.000 1.051 300 E HN 0.331 nan 8.360 nan 0.000 0.409 301 F N 1.065 121.017 119.950 0.005 0.000 2.541 301 F HA 0.126 4.652 4.527 -0.001 0.000 0.331 301 F C 1.558 177.352 175.800 -0.009 0.000 1.057 301 F CA -0.717 57.276 58.000 -0.011 0.000 0.975 301 F CB 1.226 40.305 39.000 0.132 0.000 1.246 301 F HN 0.427 nan 8.300 nan 0.000 0.484 302 E N 1.252 121.559 120.200 0.178 0.000 2.012 302 E HA -0.156 4.194 4.350 -0.001 0.000 0.197 302 E C -0.293 176.404 176.600 0.162 0.000 1.007 302 E CA 1.811 58.312 56.400 0.168 0.000 0.816 302 E CB -0.005 29.770 29.700 0.125 0.000 0.762 302 E HN 0.673 nan 8.360 nan 0.000 0.451 303 E N -2.005 118.241 120.200 0.078 0.000 2.433 303 E HA 0.321 4.671 4.350 -0.001 0.000 0.278 303 E C -1.326 175.100 176.600 -0.289 0.000 0.976 303 E CA -0.878 55.491 56.400 -0.053 0.000 0.793 303 E CB 0.925 30.591 29.700 -0.056 0.000 1.311 303 E HN 0.161 nan 8.360 nan 0.000 0.460 304 C N 2.107 121.104 119.300 -0.506 0.000 2.464 304 C HA 0.487 4.947 4.460 -0.001 0.000 0.370 304 C C 0.772 175.237 174.990 -0.875 0.000 1.267 304 C CA -0.259 58.061 59.018 -1.164 0.000 1.781 304 C CB -1.615 25.509 27.740 -1.027 0.000 2.431 304 C HN 0.703 nan 8.230 nan 0.000 0.556 305 C N 5.890 124.665 119.300 -0.875 0.000 2.814 305 C HA 0.746 5.206 4.460 -0.001 0.000 0.242 305 C C -0.659 174.252 174.990 -0.133 0.000 1.704 305 C CA -0.811 57.996 59.018 -0.351 0.000 1.608 305 C CB -2.397 25.257 27.740 -0.144 0.000 2.939 305 C HN 1.006 nan 8.230 nan 0.000 0.512 306 W N -0.714 120.547 121.300 -0.065 0.000 3.042 306 W HA 0.722 5.382 4.660 0.000 0.000 0.342 306 W C -0.499 176.004 176.519 -0.027 0.000 1.240 306 W CA -1.199 56.115 57.345 -0.051 0.000 1.166 306 W CB 0.187 29.610 29.460 -0.062 0.000 1.469 306 W HN 0.129 nan 8.180 nan 0.000 0.579 307 S N 1.379 117.262 115.700 0.304 0.000 2.549 307 S HA 0.132 4.601 4.470 -0.001 0.000 0.283 307 S C 0.020 174.783 174.600 0.270 0.000 1.320 307 S CA -0.004 58.309 58.200 0.188 0.000 1.058 307 S CB -0.038 63.231 63.200 0.114 0.000 0.882 307 S HN 0.493 nan 8.310 nan 0.000 0.498 308 N N 3.837 122.632 118.700 0.157 0.000 2.635 308 N HA 0.101 4.840 4.740 -0.001 0.000 0.307 308 N C 0.937 176.492 175.510 0.075 0.000 1.433 308 N CA -0.151 52.991 53.050 0.152 0.000 0.973 308 N CB 0.624 39.177 38.487 0.110 0.000 1.304 308 N HN 0.808 nan 8.380 nan 0.000 0.507 309 E N 0.175 120.408 120.200 0.055 0.000 2.023 309 E HA -0.093 4.256 4.350 -0.001 0.000 0.196 309 E C 0.237 176.840 176.600 0.005 0.000 1.003 309 E CA 0.881 57.294 56.400 0.021 0.000 0.809 309 E CB 0.317 30.022 29.700 0.009 0.000 0.755 309 E HN 0.150 nan 8.360 nan 0.000 0.449 310 S N -2.040 113.651 115.700 -0.016 0.000 2.671 310 S HA 0.265 4.734 4.470 -0.001 0.000 0.299 310 S C 0.298 174.859 174.600 -0.066 0.000 1.116 310 S CA -0.136 58.036 58.200 -0.047 0.000 0.912 310 S CB 1.749 64.896 63.200 -0.088 0.000 1.130 310 S HN 0.199 nan 8.310 nan 0.000 0.501 311 S N 0.729 116.373 115.700 -0.094 0.000 2.523 311 S HA 0.384 4.853 4.470 -0.001 0.000 0.217 311 S C -0.247 174.216 174.600 -0.228 0.000 0.996 311 S CA -0.345 57.785 58.200 -0.116 0.000 0.921 311 S CB -0.046 63.110 63.200 -0.073 0.000 0.829 311 S HN 0.473 nan 8.310 nan 0.000 0.495 312 K N 1.945 122.166 120.400 -0.298 0.000 2.293 312 K HA 0.569 4.889 4.320 -0.001 0.000 0.267 312 K C -1.122 175.201 176.600 -0.462 0.000 1.010 312 K CA -0.231 55.766 56.287 -0.483 0.000 0.875 312 K CB 1.448 33.406 32.500 -0.902 0.000 1.106 312 K HN 0.358 nan 8.250 nan 0.000 0.450 313 I N 2.431 122.791 120.570 -0.349 0.000 2.478 313 I HA 0.275 4.445 4.170 -0.001 0.000 0.287 313 I C -0.601 175.548 176.117 0.054 0.000 1.042 313 I CA -1.188 59.979 61.300 -0.223 0.000 1.067 313 I CB 2.162 39.967 38.000 -0.324 0.000 1.233 313 I HN 0.022 nan 8.210 nan 0.000 0.431 314 V N 4.112 124.105 119.914 0.132 0.000 2.417 314 V HA 0.426 4.545 4.120 -0.001 0.000 0.291 314 V C 0.264 176.568 176.094 0.350 0.000 1.024 314 V CA -0.531 62.004 62.300 0.392 0.000 0.861 314 V CB 2.105 34.265 31.823 0.563 0.000 0.985 314 V HN 0.831 nan 8.190 nan 0.000 0.436 315 T N 4.233 119.000 114.554 0.355 0.000 2.743 315 T HA 0.654 5.003 4.350 -0.001 0.000 0.292 315 T C -0.305 174.606 174.700 0.351 0.000 0.972 315 T CA -0.554 61.727 62.100 0.302 0.000 0.967 315 T CB 0.364 69.318 68.868 0.144 0.000 0.926 315 T HN 0.353 nan 8.240 nan 0.000 0.459 316 L N 2.858 124.311 121.223 0.383 0.000 2.452 316 L HA 0.539 4.879 4.340 -0.001 0.000 0.267 316 L C 1.236 178.316 176.870 0.351 0.000 1.188 316 L CA -0.941 54.082 54.840 0.305 0.000 0.821 316 L CB 0.146 42.362 42.059 0.262 0.000 1.102 316 L HN 0.863 nan 8.230 nan 0.000 0.470 317 A N 2.166 125.111 122.820 0.207 0.000 2.272 317 A HA 0.295 4.615 4.320 -0.001 0.000 0.275 317 A C -0.047 177.619 177.584 0.137 0.000 1.096 317 A CA -0.651 51.515 52.037 0.215 0.000 0.822 317 A CB 0.119 19.164 19.000 0.074 0.000 1.088 317 A HN 0.772 nan 8.150 nan 0.000 0.495 318 N N 0.603 119.361 118.700 0.096 0.000 2.492 318 N HA 0.303 5.042 4.740 -0.001 0.000 0.260 318 N C 0.041 175.508 175.510 -0.072 0.000 1.215 318 N CA 0.515 53.547 53.050 -0.030 0.000 0.923 318 N CB 0.718 39.167 38.487 -0.063 0.000 1.092 318 N HN 0.703 nan 8.380 nan 0.000 0.448 319 S N -0.911 114.709 115.700 -0.134 0.000 2.709 319 S HA 0.816 5.286 4.470 -0.001 0.000 0.302 319 S C -0.195 174.316 174.600 -0.148 0.000 1.127 319 S CA -0.898 57.183 58.200 -0.199 0.000 0.905 319 S CB 1.843 64.820 63.200 -0.372 0.000 1.151 319 S HN 0.592 nan 8.310 nan 0.000 0.510 320 T N -1.566 112.937 114.554 -0.084 0.000 2.916 320 T HA 0.462 4.812 4.350 -0.001 0.000 0.305 320 T C 0.093 174.810 174.700 0.028 0.000 1.119 320 T CA -0.923 61.164 62.100 -0.021 0.000 1.008 320 T CB 1.264 70.146 68.868 0.024 0.000 1.129 320 T HN 0.407 nan 8.240 nan 0.000 0.480 321 N N 0.930 119.633 118.700 0.005 0.000 2.289 321 N HA -0.111 4.628 4.740 -0.001 0.000 0.184 321 N C 1.498 177.021 175.510 0.022 0.000 1.016 321 N CA 1.061 54.119 53.050 0.013 0.000 0.872 321 N CB -0.141 38.349 38.487 0.005 0.000 0.973 321 N HN 0.818 nan 8.380 nan 0.000 0.433 322 E N 0.979 121.199 120.200 0.034 0.000 2.110 322 E HA -0.139 4.210 4.350 -0.001 0.000 0.193 322 E C 1.670 178.291 176.600 0.035 0.000 0.988 322 E CA 0.662 57.077 56.400 0.025 0.000 0.804 322 E CB -0.468 29.251 29.700 0.032 0.000 0.745 322 E HN 0.333 nan 8.360 nan 0.000 0.458 323 F N 0.126 120.057 119.950 -0.032 0.000 2.134 323 F HA -0.170 4.356 4.527 -0.001 0.000 0.299 323 F C 1.912 177.692 175.800 -0.033 0.000 1.097 323 F CA 1.442 59.429 58.000 -0.021 0.000 1.264 323 F CB -0.476 38.516 39.000 -0.014 0.000 1.001 323 F HN -0.045 nan 8.300 nan 0.000 0.479 324 V N 0.901 120.724 119.914 -0.152 0.000 2.332 324 V HA -0.322 3.798 4.120 -0.001 0.000 0.248 324 V C 2.293 178.239 176.094 -0.247 0.000 1.055 324 V CA 2.399 64.564 62.300 -0.225 0.000 1.038 324 V CB -0.838 30.951 31.823 -0.056 0.000 0.651 324 V HN 0.391 nan 8.190 nan 0.000 0.450 325 E N -0.085 120.018 120.200 -0.161 0.000 2.077 325 E HA -0.184 4.165 4.350 -0.001 0.000 0.193 325 E C 2.192 178.689 176.600 -0.171 0.000 0.989 325 E CA 1.490 57.809 56.400 -0.134 0.000 0.800 325 E CB -0.208 29.444 29.700 -0.080 0.000 0.746 325 E HN 0.564 nan 8.360 nan 0.000 0.452 326 I N 0.798 121.241 120.570 -0.212 0.000 2.286 326 I HA -0.226 3.943 4.170 -0.001 0.000 0.248 326 I C 2.324 178.277 176.117 -0.273 0.000 1.115 326 I CA 0.769 61.945 61.300 -0.208 0.000 1.392 326 I CB -0.208 37.684 38.000 -0.180 0.000 1.065 326 I HN 0.002 nan 8.210 nan 0.000 0.418 327 V N 0.707 120.363 119.914 -0.430 0.000 2.358 327 V HA -0.182 3.938 4.120 -0.001 0.000 0.246 327 V C 2.578 178.517 176.094 -0.259 0.000 1.047 327 V CA 1.482 63.546 62.300 -0.393 0.000 1.035 327 V CB -0.699 30.806 31.823 -0.531 0.000 0.658 327 V HN 0.352 nan 8.190 nan 0.000 0.452 328 R N 0.754 121.116 120.500 -0.230 0.000 2.120 328 R HA -0.050 4.289 4.340 -0.001 0.000 0.234 328 R C 1.658 177.872 176.300 -0.142 0.000 1.123 328 R CA 1.029 57.027 56.100 -0.170 0.000 0.975 328 R CB -0.648 29.568 30.300 -0.140 0.000 0.866 328 R HN 0.549 nan 8.270 nan 0.000 0.446 329 N N -0.013 118.604 118.700 -0.138 0.000 2.254 329 N HA 0.077 4.816 4.740 -0.001 0.000 0.190 329 N C 0.111 175.560 175.510 -0.101 0.000 1.107 329 N CA 0.129 53.115 53.050 -0.108 0.000 0.869 329 N CB 0.490 38.923 38.487 -0.090 0.000 0.983 329 N HN 0.040 nan 8.380 nan 0.000 0.487 330 A N 0.991 123.740 122.820 -0.119 0.000 2.425 330 A HA 0.168 4.487 4.320 -0.001 0.000 0.249 330 A C 0.974 178.501 177.584 -0.094 0.000 1.084 330 A CA -0.113 51.863 52.037 -0.102 0.000 0.781 330 A CB 0.642 19.574 19.000 -0.114 0.000 1.019 330 A HN 0.175 nan 8.150 nan 0.000 0.490 331 E N 0.508 120.664 120.200 -0.074 0.000 2.276 331 E HA 0.016 4.365 4.350 -0.001 0.000 0.193 331 E C -0.162 176.399 176.600 -0.065 0.000 0.983 331 E CA 0.970 57.329 56.400 -0.067 0.000 0.861 331 E CB 0.089 29.758 29.700 -0.053 0.000 0.817 331 E HN 0.897 nan 8.360 nan 0.000 0.485 332 N N -1.314 117.349 118.700 -0.063 0.000 3.179 332 N HA 0.030 4.770 4.740 -0.001 0.000 0.250 332 N C -0.019 175.456 175.510 -0.058 0.000 1.507 332 N CA -0.658 52.358 53.050 -0.057 0.000 0.883 332 N CB 0.503 38.965 38.487 -0.042 0.000 1.435 332 N HN -0.113 nan 8.380 nan 0.000 0.532 333 L N 0.129 121.321 121.223 -0.052 0.000 2.079 333 L HA -0.053 4.287 4.340 -0.001 0.000 0.210 333 L C 1.180 178.030 176.870 -0.034 0.000 1.081 333 L CA 1.988 56.797 54.840 -0.052 0.000 0.752 333 L CB -0.874 41.159 42.059 -0.043 0.000 0.896 333 L HN 0.634 nan 8.230 nan 0.000 0.433 334 D N -0.307 120.077 120.400 -0.026 0.000 2.108 334 D HA -0.298 4.342 4.640 -0.001 0.000 0.190 334 D C 1.974 178.263 176.300 -0.018 0.000 0.995 334 D CA 1.939 55.929 54.000 -0.017 0.000 0.834 334 D CB -0.031 40.760 40.800 -0.016 0.000 0.967 334 D HN 0.576 nan 8.370 nan 0.000 0.446 335 E N 0.123 120.307 120.200 -0.027 0.000 2.118 335 E HA -0.194 4.156 4.350 -0.001 0.000 0.195 335 E C 2.255 178.837 176.600 -0.030 0.000 0.992 335 E CA 0.478 56.861 56.400 -0.029 0.000 0.804 335 E CB -0.125 29.552 29.700 -0.038 0.000 0.741 335 E HN 0.058 nan 8.360 nan 0.000 0.458 336 L N 1.413 122.611 121.223 -0.040 0.000 2.079 336 L HA -0.193 4.146 4.340 -0.001 0.000 0.210 336 L C 1.599 178.472 176.870 0.005 0.000 1.081 336 L CA 1.980 56.795 54.840 -0.041 0.000 0.752 336 L CB -0.368 41.649 42.059 -0.069 0.000 0.896 336 L HN 0.129 nan 8.230 nan 0.000 0.433 337 D N -1.297 119.112 120.400 0.016 0.000 2.162 337 D HA -0.089 4.551 4.640 -0.001 0.000 0.203 337 D C 2.145 178.465 176.300 0.032 0.000 0.967 337 D CA 1.285 55.315 54.000 0.049 0.000 0.840 337 D CB 0.263 41.092 40.800 0.048 0.000 0.972 337 D HN 0.364 nan 8.370 nan 0.000 0.482 338 S N 0.869 116.576 115.700 0.012 0.000 2.351 338 S HA -0.163 4.307 4.470 -0.001 0.000 0.220 338 S C 2.150 176.755 174.600 0.008 0.000 1.035 338 S CA 1.057 59.260 58.200 0.005 0.000 1.031 338 S CB -0.220 62.977 63.200 -0.004 0.000 0.928 338 S HN 0.259 nan 8.310 nan 0.000 0.433 339 M N 0.802 120.403 119.600 0.002 0.000 2.108 339 M HA -0.100 4.380 4.480 -0.001 0.000 0.261 339 M C 2.040 178.354 176.300 0.024 0.000 1.066 339 M CA 1.394 56.694 55.300 0.000 0.000 1.107 339 M CB -0.662 31.925 32.600 -0.021 0.000 1.356 339 M HN 0.235 nan 8.290 nan 0.000 0.406 340 L N -0.426 120.828 121.223 0.051 0.000 2.191 340 L HA -0.113 4.227 4.340 -0.001 0.000 0.212 340 L C 1.024 177.932 176.870 0.063 0.000 1.103 340 L CA 0.394 55.292 54.840 0.097 0.000 0.769 340 L CB -0.428 41.731 42.059 0.168 0.000 0.908 340 L HN 0.181 nan 8.230 nan 0.000 0.438 341 E N 1.700 121.923 120.200 0.037 0.000 2.292 341 E HA 0.048 4.398 4.350 -0.001 0.000 0.265 341 E C -0.152 176.457 176.600 0.015 0.000 1.093 341 E CA 0.314 56.724 56.400 0.017 0.000 0.922 341 E CB 0.460 30.165 29.700 0.008 0.000 1.001 341 E HN 0.113 nan 8.360 nan 0.000 0.444 350 S N 0.084 115.793 115.700 0.015 0.000 3.327 350 S HA -0.077 4.393 4.470 -0.001 0.000 0.844 350 S C -0.340 174.271 174.600 0.019 0.000 1.110 350 S CA -0.202 58.007 58.200 0.016 0.000 1.105 350 S CB -0.312 62.901 63.200 0.022 0.000 0.752 350 S HN 1.136 nan 8.310 nan 0.000 0.279 351 V N 5.261 125.182 119.914 0.011 0.000 2.461 351 V HA 0.647 4.766 4.120 -0.001 0.000 0.275 351 V C 1.064 177.210 176.094 0.085 0.000 1.047 351 V CA 0.559 62.876 62.300 0.029 0.000 0.955 351 V CB 0.827 32.634 31.823 -0.026 0.000 0.988 351 V HN 1.105 nan 8.190 nan 0.000 0.471 352 T N 0.711 115.291 114.554 0.043 0.000 2.888 352 T HA 0.202 4.551 4.350 -0.001 0.000 0.288 352 T C 1.219 175.738 174.700 -0.302 0.000 1.063 352 T CA -0.064 61.934 62.100 -0.169 0.000 1.010 352 T CB 1.342 70.147 68.868 -0.105 0.000 1.214 352 T HN 0.808 nan 8.240 nan 0.000 0.533 353 C N -1.698 117.067 119.300 -0.891 0.000 2.443 353 C HA 0.203 4.663 4.460 -0.001 0.000 0.290 353 C C 1.389 176.134 174.990 -0.409 0.000 1.476 353 C CA -0.505 58.081 59.018 -0.720 0.000 1.772 353 C CB -2.286 24.867 27.740 -0.979 0.000 1.714 353 C HN 0.793 nan 8.230 nan 0.000 0.562 354 W N 0.467 121.697 121.300 -0.117 0.000 3.005 354 W HA 0.298 4.957 4.660 -0.001 0.000 0.374 354 W C 2.076 178.585 176.519 -0.016 0.000 1.076 354 W CA -0.232 57.091 57.345 -0.037 0.000 1.794 354 W CB -0.011 29.417 29.460 -0.054 0.000 1.113 354 W HN 0.057 nan 8.180 nan 0.000 0.584 355 S N 0.727 116.528 115.700 0.168 0.000 2.562 355 S HA -0.021 4.448 4.470 -0.001 0.000 0.221 355 S C 0.577 175.236 174.600 0.098 0.000 0.975 355 S CA 0.567 58.838 58.200 0.119 0.000 0.918 355 S CB -0.172 63.081 63.200 0.089 0.000 0.772 355 S HN 0.229 nan 8.310 nan 0.000 0.531 356 Q N -0.014 119.852 119.800 0.110 0.000 2.472 356 Q HA 0.379 4.718 4.340 -0.001 0.000 0.281 356 Q C -3.574 172.487 176.000 0.102 0.000 0.997 356 Q CA -2.309 53.536 55.803 0.070 0.000 0.828 356 Q CB 0.545 29.329 28.738 0.076 0.000 1.443 356 Q HN -0.091 nan 8.270 nan 0.000 0.390 357 P HA 0.290 nan 4.420 nan 0.000 0.269 357 P C -0.595 176.814 177.300 0.183 0.000 1.215 357 P CA -0.101 63.081 63.100 0.137 0.000 0.780 357 P CB 0.791 32.544 31.700 0.089 0.000 0.898 358 L N 1.388 122.760 121.223 0.248 0.000 2.409 358 L HA 0.502 4.842 4.340 -0.001 0.000 0.262 358 L C -0.604 176.451 176.870 0.309 0.000 0.992 358 L CA -0.925 54.043 54.840 0.213 0.000 0.817 358 L CB 2.123 44.304 42.059 0.204 0.000 1.350 358 L HN 0.272 nan 8.230 nan 0.000 0.411 359 F N 2.774 122.711 119.950 -0.022 0.000 2.427 359 F HA 0.631 5.157 4.527 -0.001 0.000 0.348 359 F C -1.330 174.383 175.800 -0.145 0.000 1.125 359 F CA -1.093 56.946 58.000 0.066 0.000 0.989 359 F CB 0.859 39.983 39.000 0.206 0.000 1.165 359 F HN 0.064 nan 8.300 nan 0.000 0.442 360 F N 5.370 125.063 119.950 -0.428 0.000 2.458 360 F HA 0.561 5.087 4.527 -0.001 0.000 0.336 360 F C -0.408 174.936 175.800 -0.760 0.000 1.114 360 F CA -1.202 56.471 58.000 -0.544 0.000 0.987 360 F CB 1.780 40.461 39.000 -0.532 0.000 1.130 360 F HN 0.077 nan 8.300 nan 0.000 0.458 361 V N 3.390 123.054 119.914 -0.416 0.000 2.318 361 V HA 0.151 4.271 4.120 -0.001 0.000 0.271 361 V C 0.148 176.146 176.094 -0.160 0.000 1.030 361 V CA -0.923 61.177 62.300 -0.333 0.000 0.844 361 V CB 0.929 32.634 31.823 -0.196 0.000 1.015 361 V HN 0.796 nan 8.190 nan 0.000 0.460 362 N N 5.193 123.760 118.700 -0.223 0.000 2.466 362 N HA 0.139 4.879 4.740 -0.001 0.000 0.263 362 N C 0.975 176.573 175.510 0.148 0.000 1.178 362 N CA -0.418 52.614 53.050 -0.031 0.000 0.983 362 N CB 0.593 38.997 38.487 -0.138 0.000 1.331 362 N HN 0.675 nan 8.380 nan 0.000 0.500 363 L N 2.308 123.683 121.223 0.255 0.000 2.191 363 L HA -0.154 4.185 4.340 -0.001 0.000 0.212 363 L C 2.586 179.573 176.870 0.195 0.000 1.103 363 L CA 0.444 55.379 54.840 0.159 0.000 0.769 363 L CB -0.497 41.685 42.059 0.206 0.000 0.908 363 L HN 0.564 nan 8.230 nan 0.000 0.438 364 S N 0.433 116.334 115.700 0.334 0.000 2.369 364 S HA -0.333 4.136 4.470 -0.001 0.000 0.225 364 S C 2.116 176.803 174.600 0.145 0.000 1.043 364 S CA 2.275 60.625 58.200 0.251 0.000 1.074 364 S CB -0.121 63.284 63.200 0.341 0.000 0.962 364 S HN 0.421 nan 8.310 nan 0.000 0.433 365 K N 0.342 120.836 120.400 0.157 0.000 1.985 365 K HA -0.116 4.203 4.320 -0.001 0.000 0.210 365 K C 2.346 178.983 176.600 0.061 0.000 1.047 365 K CA 2.028 58.368 56.287 0.089 0.000 0.932 365 K CB -0.564 31.984 32.500 0.081 0.000 0.716 365 K HN 0.571 nan 8.250 nan 0.000 0.439 366 S N -0.603 115.122 115.700 0.040 0.000 2.399 366 S HA -0.130 4.340 4.470 -0.001 0.000 0.231 366 S C 1.815 176.440 174.600 0.042 0.000 1.022 366 S CA 1.669 59.879 58.200 0.018 0.000 0.983 366 S CB -0.411 62.741 63.200 -0.079 0.000 0.803 366 S HN 0.635 nan 8.310 nan 0.000 0.480 367 T N -4.707 109.876 114.554 0.049 0.000 3.087 367 T HA 0.581 4.930 4.350 -0.001 0.000 0.283 367 T C 1.440 176.174 174.700 0.057 0.000 0.956 367 T CA 0.634 62.774 62.100 0.067 0.000 0.894 367 T CB 0.332 69.252 68.868 0.086 0.000 1.160 367 T HN 1.089 nan 8.240 nan 0.000 0.532 368 G N 1.346 110.183 108.800 0.062 0.000 2.234 368 G HA2 -0.256 3.704 3.960 -0.001 0.000 0.260 368 G HA3 -0.256 3.704 3.960 -0.001 0.000 0.260 368 G C 0.080 175.016 174.900 0.059 0.000 0.987 368 G CA 0.017 45.144 45.100 0.046 0.000 0.625 368 G HN 0.825 nan 8.290 nan 0.000 0.532 369 V N 1.792 121.760 119.914 0.090 0.000 2.427 369 V HA 0.561 4.680 4.120 -0.001 0.000 0.268 369 V C 1.317 177.537 176.094 0.211 0.000 1.046 369 V CA 0.200 62.573 62.300 0.121 0.000 0.970 369 V CB 1.123 33.000 31.823 0.091 0.000 1.001 369 V HN 1.130 nan 8.190 nan 0.000 0.476 370 A N 4.841 127.781 122.820 0.199 0.000 3.110 370 A HA 0.410 4.729 4.320 -0.001 0.000 0.265 370 A C 0.694 178.561 177.584 0.470 0.000 1.962 370 A CA 0.188 52.390 52.037 0.274 0.000 1.493 370 A CB -0.716 18.353 19.000 0.115 0.000 0.941 370 A HN 0.755 nan 8.150 nan 0.000 0.610 371 S N -0.412 115.581 115.700 0.488 0.000 2.618 371 S HA 0.727 5.197 4.470 -0.001 0.000 0.277 371 S C -0.804 174.137 174.600 0.567 0.000 1.138 371 S CA -0.536 57.953 58.200 0.482 0.000 0.844 371 S CB 1.339 64.859 63.200 0.534 0.000 1.127 371 S HN 0.395 nan 8.310 nan 0.000 0.474 372 F N 1.794 121.983 119.950 0.400 0.000 2.467 372 F HA 0.475 5.001 4.527 -0.001 0.000 0.336 372 F C 0.085 176.031 175.800 0.244 0.000 1.123 372 F CA -0.901 57.276 58.000 0.295 0.000 0.964 372 F CB 1.500 40.711 39.000 0.351 0.000 1.136 372 F HN 0.256 nan 8.300 nan 0.000 0.447 373 M N 6.918 126.704 119.600 0.309 0.000 2.061 373 M HA 0.373 4.853 4.480 -0.001 0.000 0.346 373 M C -1.267 175.033 176.300 -0.000 0.000 1.112 373 M CA -0.302 55.081 55.300 0.138 0.000 1.021 373 M CB 0.984 33.662 32.600 0.131 0.000 1.530 373 M HN 0.687 nan 8.290 nan 0.000 0.437 374 M N 5.216 124.776 119.600 -0.067 0.000 2.268 374 M HA 0.443 4.922 4.480 -0.001 0.000 0.344 374 M C -1.954 174.245 176.300 -0.168 0.000 1.106 374 M CA -0.803 54.287 55.300 -0.349 0.000 1.010 374 M CB 1.204 33.442 32.600 -0.605 0.000 1.649 374 M HN 0.643 nan 8.290 nan 0.000 0.443 375 L N 5.905 127.096 121.223 -0.054 0.000 2.334 375 L HA 0.659 4.998 4.340 -0.001 0.000 0.275 375 L C -0.222 176.725 176.870 0.127 0.000 1.036 375 L CA -0.134 54.798 54.840 0.154 0.000 0.807 375 L CB 1.870 44.178 42.059 0.415 0.000 1.231 375 L HN 0.811 nan 8.230 nan 0.000 0.438 376 M N 1.134 120.825 119.600 0.151 0.000 2.631 376 M HA 0.737 5.216 4.480 -0.001 0.000 0.288 376 M C -1.180 175.217 176.300 0.161 0.000 1.260 376 M CA -0.855 54.539 55.300 0.157 0.000 0.842 376 M CB 2.286 34.980 32.600 0.156 0.000 1.743 376 M HN 0.509 nan 8.290 nan 0.000 0.461 377 Q N 1.554 121.445 119.800 0.151 0.000 2.495 377 Q HA 0.862 5.202 4.340 -0.001 0.000 0.283 377 Q C -1.406 174.664 176.000 0.117 0.000 1.097 377 Q CA -0.852 55.031 55.803 0.133 0.000 0.836 377 Q CB 1.833 30.653 28.738 0.136 0.000 1.426 377 Q HN 0.944 nan 8.270 nan 0.000 0.459 378 A N 1.541 124.426 122.820 0.109 0.000 2.354 378 A HA 0.471 4.790 4.320 -0.001 0.000 0.269 378 A C -1.748 175.892 177.584 0.094 0.000 1.109 378 A CA -1.202 50.896 52.037 0.101 0.000 0.800 378 A CB 0.128 19.193 19.000 0.108 0.000 1.045 378 A HN 0.723 nan 8.150 nan 0.000 0.489 379 P HA -0.026 nan 4.420 nan 0.000 0.245 379 P C 1.290 178.641 177.300 0.085 0.000 1.206 379 P CA 0.119 63.263 63.100 0.074 0.000 0.781 379 P CB 0.171 31.903 31.700 0.053 0.000 0.994 380 L N 1.085 122.360 121.223 0.087 0.000 2.013 380 L HA -0.146 4.194 4.340 -0.001 0.000 0.212 380 L C 2.225 179.158 176.870 0.106 0.000 1.073 380 L CA 2.369 57.261 54.840 0.086 0.000 0.753 380 L CB -1.745 40.383 42.059 0.115 0.000 0.890 380 L HN -0.082 nan 8.230 nan 0.000 0.432 381 T N 0.186 114.808 114.554 0.113 0.000 2.685 381 T HA -0.239 4.111 4.350 -0.001 0.000 0.268 381 T C 1.572 176.325 174.700 0.088 0.000 1.034 381 T CA 2.044 64.209 62.100 0.108 0.000 1.149 381 T CB -0.580 68.355 68.868 0.112 0.000 0.860 381 T HN 0.513 nan 8.240 nan 0.000 0.449 382 N N 0.413 119.167 118.700 0.089 0.000 2.084 382 N HA -0.124 4.616 4.740 -0.001 0.000 0.190 382 N C 1.781 177.319 175.510 0.047 0.000 1.030 382 N CA 1.203 54.293 53.050 0.067 0.000 0.849 382 N CB -0.513 38.017 38.487 0.071 0.000 1.012 382 N HN 0.454 nan 8.380 nan 0.000 0.423 383 H N 0.795 119.850 119.070 -0.025 0.000 2.353 383 H HA 0.004 4.560 4.556 -0.001 0.000 0.300 383 H C 1.595 176.861 175.328 -0.104 0.000 1.090 383 H CA 1.125 57.134 56.048 -0.064 0.000 1.327 383 H CB -0.024 29.689 29.762 -0.083 0.000 1.383 383 H HN 0.098 nan 8.280 nan 0.000 0.508 384 I N 1.315 121.933 120.570 0.079 0.000 2.439 384 I HA -0.151 4.018 4.170 -0.001 0.000 0.251 384 I C 2.222 178.318 176.117 -0.034 0.000 1.139 384 I CA 0.894 62.198 61.300 0.008 0.000 1.438 384 I CB -0.850 37.190 38.000 0.067 0.000 1.085 384 I HN 0.338 nan 8.210 nan 0.000 0.427 385 E N 0.616 120.801 120.200 -0.025 0.000 2.208 385 E HA -0.136 4.213 4.350 -0.001 0.000 0.193 385 E C 2.199 178.751 176.600 -0.080 0.000 0.988 385 E CA 1.330 57.703 56.400 -0.046 0.000 0.828 385 E CB 0.018 29.705 29.700 -0.021 0.000 0.763 385 E HN 0.484 nan 8.360 nan 0.000 0.478 386 S N 1.402 117.035 115.700 -0.111 0.000 2.442 386 S HA -0.111 4.358 4.470 -0.001 0.000 0.236 386 S C 1.787 176.295 174.600 -0.153 0.000 1.007 386 S CA 0.814 58.930 58.200 -0.140 0.000 0.965 386 S CB -0.495 62.591 63.200 -0.191 0.000 0.773 386 S HN 0.428 nan 8.310 nan 0.000 0.504 387 I N -1.080 119.391 120.570 -0.165 0.000 3.707 387 I HA 0.467 4.637 4.170 -0.001 0.000 0.330 387 I C 1.099 177.173 176.117 -0.072 0.000 1.572 387 I CA -0.849 60.376 61.300 -0.124 0.000 1.104 387 I CB 0.205 38.117 38.000 -0.147 0.000 1.240 387 I HN 0.034 nan 8.210 nan 0.000 0.475 388 R N -0.015 120.442 120.500 -0.072 0.000 2.397 388 R HA 0.012 4.352 4.340 -0.001 0.000 0.213 388 R C 1.022 177.290 176.300 -0.053 0.000 1.102 388 R CA 1.008 57.072 56.100 -0.061 0.000 1.040 388 R CB -0.663 29.587 30.300 -0.082 0.000 0.844 388 R HN 0.412 nan 8.270 nan 0.000 0.478 389 E N 0.399 120.572 120.200 -0.045 0.000 2.290 389 E HA -0.008 4.342 4.350 -0.001 0.000 0.197 389 E C -0.108 176.482 176.600 -0.016 0.000 0.948 389 E CA 0.295 56.674 56.400 -0.036 0.000 0.895 389 E CB -0.071 29.606 29.700 -0.038 0.000 0.865 389 E HN 0.311 nan 8.360 nan 0.000 0.486 390 D N 2.217 122.613 120.400 -0.007 0.000 2.489 390 D HA -0.027 4.612 4.640 -0.001 0.000 0.237 390 D C 0.864 177.192 176.300 0.047 0.000 1.212 390 D CA 0.029 54.039 54.000 0.016 0.000 1.058 390 D CB 0.338 41.148 40.800 0.017 0.000 1.098 390 D HN -0.207 nan 8.370 nan 0.000 0.509 391 K N 2.181 122.605 120.400 0.040 0.000 2.063 391 K HA -0.178 4.141 4.320 -0.001 0.000 0.208 391 K C 1.607 178.284 176.600 0.130 0.000 1.048 391 K CA 1.062 57.389 56.287 0.066 0.000 0.928 391 K CB 0.033 32.547 32.500 0.023 0.000 0.713 391 K HN 0.356 nan 8.250 nan 0.000 0.442 392 E N 0.394 120.655 120.200 0.100 0.000 2.110 392 E HA -0.138 4.212 4.350 -0.001 0.000 0.193 392 E C 2.058 178.784 176.600 0.210 0.000 0.988 392 E CA 1.059 57.541 56.400 0.138 0.000 0.804 392 E CB -0.118 29.631 29.700 0.083 0.000 0.745 392 E HN 0.230 nan 8.360 nan 0.000 0.458 393 R N 0.134 120.731 120.500 0.162 0.000 2.115 393 R HA -0.029 4.311 4.340 -0.001 0.000 0.226 393 R C 2.007 178.448 176.300 0.234 0.000 1.100 393 R CA 0.659 56.862 56.100 0.171 0.000 0.980 393 R CB -0.087 30.280 30.300 0.111 0.000 0.875 393 R HN 0.185 nan 8.270 nan 0.000 0.445 394 L N -0.290 121.086 121.223 0.254 0.000 2.005 394 L HA -0.170 4.169 4.340 -0.001 0.000 0.207 394 L C 2.288 179.468 176.870 0.516 0.000 1.072 394 L CA 1.353 56.419 54.840 0.376 0.000 0.744 394 L CB -0.666 41.577 42.059 0.307 0.000 0.895 394 L HN 0.181 nan 8.230 nan 0.000 0.433 395 F N 0.743 120.874 119.950 0.302 0.000 2.065 395 F HA -0.335 4.191 4.527 -0.001 0.000 0.298 395 F C 2.971 178.909 175.800 0.229 0.000 1.112 395 F CA 1.948 60.116 58.000 0.280 0.000 1.212 395 F CB -0.475 38.621 39.000 0.160 0.000 0.975 395 F HN 0.063 nan 8.300 nan 0.000 0.476 396 S N -0.390 115.473 115.700 0.272 0.000 2.383 396 S HA -0.289 4.180 4.470 -0.001 0.000 0.229 396 S C 2.098 176.695 174.600 -0.005 0.000 1.030 396 S CA 1.538 59.805 58.200 0.111 0.000 1.002 396 S CB -1.094 62.218 63.200 0.187 0.000 0.829 396 S HN 0.490 nan 8.310 nan 0.000 0.467 397 F N 0.871 120.773 119.950 -0.081 0.000 2.128 397 F HA 0.199 4.725 4.527 -0.001 0.000 0.295 397 F C 1.209 176.752 175.800 -0.427 0.000 1.100 397 F CA 1.227 59.062 58.000 -0.276 0.000 1.260 397 F CB -0.219 38.543 39.000 -0.396 0.000 1.009 397 F HN 0.259 nan 8.300 nan 0.000 0.476 398 F N -0.043 119.954 119.950 0.079 0.000 2.692 398 F HA 0.142 4.668 4.527 -0.001 0.000 0.303 398 F C 2.096 177.715 175.800 -0.301 0.000 1.114 398 F CA -0.016 57.950 58.000 -0.057 0.000 1.361 398 F CB -0.513 38.642 39.000 0.259 0.000 1.063 398 F HN 0.057 nan 8.300 nan 0.000 0.550 399 Q N 0.928 120.546 119.800 -0.305 0.000 2.046 399 Q HA -0.119 4.221 4.340 -0.001 0.000 0.200 399 Q C -0.599 175.253 176.000 -0.248 0.000 0.975 399 Q CA 1.485 57.025 55.803 -0.439 0.000 0.836 399 Q CB -0.845 27.570 28.738 -0.538 0.000 0.896 399 Q HN 0.242 nan 8.270 nan 0.000 0.428 400 P HA -0.178 nan 4.420 nan 0.000 0.214 400 P C 1.561 178.802 177.300 -0.097 0.000 1.163 400 P CA 2.138 65.209 63.100 -0.049 0.000 0.883 400 P CB -0.300 31.437 31.700 0.063 0.000 0.788 401 V N -2.935 116.734 119.914 -0.409 0.000 2.407 401 V HA -0.215 3.904 4.120 -0.001 0.000 0.248 401 V C 2.253 178.124 176.094 -0.372 0.000 1.055 401 V CA 1.648 63.627 62.300 -0.534 0.000 1.049 401 V CB -1.924 29.510 31.823 -0.648 0.000 0.662 401 V HN -0.004 nan 8.190 nan 0.000 0.455 402 L N 0.555 121.583 121.223 -0.326 0.000 2.012 402 L HA -0.156 4.183 4.340 -0.001 0.000 0.210 402 L C 2.876 179.628 176.870 -0.197 0.000 1.073 402 L CA 2.186 56.839 54.840 -0.312 0.000 0.748 402 L CB -0.844 41.062 42.059 -0.254 0.000 0.891 402 L HN 0.390 nan 8.230 nan 0.000 0.431 403 N N 0.020 118.645 118.700 -0.124 0.000 2.084 403 N HA -0.210 4.529 4.740 -0.001 0.000 0.190 403 N C 1.813 177.299 175.510 -0.040 0.000 1.030 403 N CA 1.159 54.179 53.050 -0.051 0.000 0.849 403 N CB -0.242 38.240 38.487 -0.010 0.000 1.012 403 N HN 0.097 nan 8.380 nan 0.000 0.423 404 K N 1.401 121.799 120.400 -0.004 0.000 2.063 404 K HA 0.018 4.337 4.320 -0.001 0.000 0.208 404 K C 1.988 178.561 176.600 -0.044 0.000 1.048 404 K CA 0.852 57.170 56.287 0.051 0.000 0.928 404 K CB -0.523 32.130 32.500 0.254 0.000 0.713 404 K HN 0.177 nan 8.250 nan 0.000 0.442 405 I N 0.112 120.579 120.570 -0.172 0.000 2.099 405 I HA -0.330 3.839 4.170 -0.001 0.000 0.239 405 I C 2.191 178.189 176.117 -0.198 0.000 1.066 405 I CA 1.317 62.455 61.300 -0.271 0.000 1.324 405 I CB -0.315 37.368 38.000 -0.528 0.000 1.037 405 I HN 0.192 nan 8.210 nan 0.000 0.401 406 M N 0.307 119.801 119.600 -0.176 0.000 2.195 406 M HA -0.255 4.225 4.480 -0.001 0.000 0.260 406 M C 2.253 178.534 176.300 -0.031 0.000 1.066 406 M CA 1.688 56.927 55.300 -0.102 0.000 1.089 406 M CB -1.195 31.359 32.600 -0.077 0.000 1.377 406 M HN 0.252 nan 8.290 nan 0.000 0.411 407 K N -0.097 120.287 120.400 -0.028 0.000 2.025 407 K HA -0.125 4.195 4.320 -0.001 0.000 0.207 407 K C 2.005 178.604 176.600 -0.002 0.000 1.049 407 K CA 1.583 57.870 56.287 -0.001 0.000 0.933 407 K CB 0.022 32.527 32.500 0.008 0.000 0.714 407 K HN 0.341 nan 8.250 nan 0.000 0.438 408 C N 0.891 120.181 119.300 -0.018 0.000 2.432 408 C HA 0.027 4.487 4.460 -0.001 0.000 0.282 408 C C 1.778 176.760 174.990 -0.013 0.000 1.388 408 C CA 0.272 59.281 59.018 -0.015 0.000 1.777 408 C CB -0.668 27.057 27.740 -0.025 0.000 1.882 408 C HN 0.441 nan 8.230 nan 0.000 0.520 409 L N 0.794 122.006 121.223 -0.018 0.000 2.783 409 L HA 0.145 4.485 4.340 -0.001 0.000 0.236 409 L C -0.419 176.498 176.870 0.077 0.000 1.225 409 L CA 0.181 55.035 54.840 0.024 0.000 1.026 409 L CB -0.648 41.412 42.059 0.002 0.000 1.314 409 L HN 0.306 nan 8.230 nan 0.000 0.489 410 D N 0.794 121.223 120.400 0.049 0.000 2.927 410 D HA -0.170 4.469 4.640 -0.001 0.000 0.236 410 D C 0.086 176.428 176.300 0.070 0.000 1.163 410 D CA 0.864 54.895 54.000 0.051 0.000 0.801 410 D CB -0.595 40.233 40.800 0.048 0.000 0.975 410 D HN 0.391 nan 8.370 nan 0.000 0.413 411 S N -0.639 115.099 115.700 0.063 0.000 2.703 411 S HA 0.509 4.978 4.470 -0.001 0.000 0.273 411 S C -1.152 173.479 174.600 0.052 0.000 1.178 411 S CA -0.747 57.498 58.200 0.074 0.000 0.838 411 S CB 1.654 64.934 63.200 0.133 0.000 1.178 411 S HN 0.169 nan 8.310 nan 0.000 0.494 412 E N 0.600 120.834 120.200 0.056 0.000 2.281 412 E HA 0.437 4.787 4.350 -0.001 0.000 0.257 412 E C -1.209 175.424 176.600 0.055 0.000 0.971 412 E CA -0.946 55.483 56.400 0.050 0.000 0.839 412 E CB 0.493 30.224 29.700 0.051 0.000 1.238 412 E HN 0.508 nan 8.360 nan 0.000 0.412 413 D N 0.391 120.825 120.400 0.057 0.000 2.383 413 D HA -0.001 4.639 4.640 -0.001 0.000 0.233 413 D C -0.501 175.865 176.300 0.111 0.000 1.233 413 D CA 0.199 54.242 54.000 0.070 0.000 0.881 413 D CB 0.452 41.296 40.800 0.073 0.000 1.212 413 D HN -0.015 nan 8.370 nan 0.000 0.467 414 V N 1.842 121.845 119.914 0.150 0.000 2.649 414 V HA 0.241 4.360 4.120 -0.001 0.000 0.292 414 V C 0.660 176.934 176.094 0.300 0.000 1.055 414 V CA -0.464 61.991 62.300 0.258 0.000 1.023 414 V CB 0.820 32.841 31.823 0.331 0.000 0.992 414 V HN 0.285 nan 8.190 nan 0.000 0.480 415 I N 2.950 123.673 120.570 0.255 0.000 2.354 415 I HA 0.275 4.445 4.170 -0.001 0.000 0.292 415 I C -0.225 175.926 176.117 0.057 0.000 0.989 415 I CA -0.469 60.923 61.300 0.153 0.000 1.188 415 I CB 1.632 39.690 38.000 0.097 0.000 1.342 415 I HN 0.584 nan 8.210 nan 0.000 0.457 416 D N 5.942 126.256 120.400 -0.142 0.000 2.383 416 D HA 0.190 4.829 4.640 -0.001 0.000 0.245 416 D C 0.607 176.750 176.300 -0.263 0.000 1.263 416 D CA -0.007 53.706 54.000 -0.479 0.000 0.936 416 D CB 0.762 40.967 40.800 -0.993 0.000 1.053 416 D HN 0.709 nan 8.370 nan 0.000 0.507 417 G N 3.568 112.254 108.800 -0.189 0.000 4.757 417 G HA2 0.107 4.066 3.960 -0.001 0.000 0.303 417 G HA3 0.107 4.066 3.960 -0.001 0.000 0.303 417 G C 1.020 175.835 174.900 -0.140 0.000 1.318 417 G CA -0.349 44.676 45.100 -0.126 0.000 1.020 417 G HN 0.480 nan 8.290 nan 0.000 0.589 418 M N -0.313 119.185 119.600 -0.171 0.000 2.562 418 M HA 0.147 4.627 4.480 -0.001 0.000 0.257 418 M C 1.172 177.430 176.300 -0.070 0.000 1.099 418 M CA 0.814 56.032 55.300 -0.136 0.000 1.099 418 M CB 0.282 32.798 32.600 -0.140 0.000 1.427 418 M HN 0.063 nan 8.290 nan 0.000 0.489 419 R N 0.527 120.990 120.500 -0.063 0.000 2.835 419 R HA 0.308 4.647 4.340 -0.001 0.000 0.290 419 R C -2.471 173.820 176.300 -0.014 0.000 1.410 419 R CA -1.625 54.458 56.100 -0.029 0.000 1.590 419 R CB -0.223 30.056 30.300 -0.035 0.000 1.288 419 R HN -0.035 nan 8.270 nan 0.000 0.637 420 P HA -0.205 nan 4.420 nan 0.000 0.255 420 P C -0.399 176.908 177.300 0.012 0.000 1.104 420 P CA 0.889 64.003 63.100 0.024 0.000 0.764 420 P CB 0.302 32.038 31.700 0.059 0.000 0.682 421 I N 2.449 123.024 120.570 0.008 0.000 2.864 421 I HA 0.145 4.315 4.170 -0.001 0.000 0.328 421 I C 0.333 176.456 176.117 0.010 0.000 1.436 421 I CA -0.702 60.601 61.300 0.005 0.000 0.821 421 I CB -0.476 37.522 38.000 -0.004 0.000 2.121 421 I HN 0.665 nan 8.210 nan 0.000 0.582 422 E N 2.516 122.726 120.200 0.017 0.000 4.005 422 E HA -0.292 4.058 4.350 -0.001 0.000 0.367 422 E C -0.481 176.131 176.600 0.019 0.000 1.259 422 E CA 0.663 57.075 56.400 0.019 0.000 1.228 422 E CB -0.071 29.638 29.700 0.015 0.000 0.621 422 E HN 0.732 nan 8.360 nan 0.000 0.354 423 N N 5.615 124.330 118.700 0.025 0.000 2.609 423 N HA 0.267 5.006 4.740 -0.001 0.000 0.268 423 N C -0.753 174.773 175.510 0.027 0.000 1.106 423 N CA -0.462 52.603 53.050 0.025 0.000 0.823 423 N CB 0.603 39.107 38.487 0.028 0.000 1.263 423 N HN 0.468 nan 8.380 nan 0.000 0.533 424 I N 2.290 122.873 120.570 0.021 0.000 2.998 424 I HA 0.362 4.531 4.170 -0.001 0.000 0.338 424 I C 0.356 176.483 176.117 0.016 0.000 1.413 424 I CA -0.174 61.137 61.300 0.019 0.000 0.880 424 I CB 0.787 38.797 38.000 0.016 0.000 2.051 424 I HN 0.489 nan 8.210 nan 0.000 0.561 425 A N 1.586 124.417 122.820 0.018 0.000 2.716 425 A HA 0.325 4.645 4.320 -0.001 0.000 0.197 425 A C -0.272 177.323 177.584 0.019 0.000 1.118 425 A CA -0.318 51.729 52.037 0.016 0.000 1.293 425 A CB -0.036 18.973 19.000 0.015 0.000 1.198 425 A HN 0.313 nan 8.150 nan 0.000 0.506 426 N N 0.440 119.153 118.700 0.022 0.000 2.687 426 N HA 0.317 5.056 4.740 -0.001 0.000 0.275 426 N C 0.934 176.457 175.510 0.022 0.000 1.789 426 N CA 0.562 53.628 53.050 0.027 0.000 0.806 426 N CB 1.386 39.895 38.487 0.038 0.000 1.256 426 N HN 0.373 nan 8.380 nan 0.000 0.500 427 A N 0.822 123.649 122.820 0.011 0.000 1.902 427 A HA -0.077 4.242 4.320 -0.001 0.000 0.217 427 A C 1.559 179.139 177.584 -0.007 0.000 1.181 427 A CA 1.176 53.212 52.037 -0.002 0.000 0.623 427 A CB -0.004 18.992 19.000 -0.007 0.000 0.818 427 A HN 0.293 nan 8.150 nan 0.000 0.443 428 N N 0.042 118.744 118.700 0.004 0.000 2.276 428 N HA 0.094 4.833 4.740 -0.001 0.000 0.212 428 N C -0.669 174.858 175.510 0.029 0.000 1.127 428 N CA 0.290 53.345 53.050 0.007 0.000 0.834 428 N CB 0.355 38.848 38.487 0.010 0.000 1.014 428 N HN 0.471 nan 8.380 nan 0.000 0.491 429 K N 1.816 122.238 120.400 0.038 0.000 2.358 429 K HA 0.324 4.644 4.320 -0.001 0.000 0.260 429 K C -2.567 174.085 176.600 0.088 0.000 0.956 429 K CA -1.650 54.676 56.287 0.064 0.000 0.834 429 K CB 2.228 34.765 32.500 0.062 0.000 1.102 429 K HN -0.050 nan 8.250 nan 0.000 0.431 430 P HA 0.052 nan 4.420 nan 0.000 0.276 430 P C -0.543 176.933 177.300 0.292 0.000 1.243 430 P CA -0.288 62.925 63.100 0.188 0.000 0.768 430 P CB 0.922 32.693 31.700 0.119 0.000 0.856 431 V N 5.745 125.857 119.914 0.330 0.000 2.357 431 V HA 0.153 4.272 4.120 -0.001 0.000 0.284 431 V C 0.421 176.632 176.094 0.195 0.000 1.018 431 V CA -0.815 61.624 62.300 0.232 0.000 0.841 431 V CB 1.367 33.253 31.823 0.104 0.000 0.991 431 V HN 0.435 nan 8.190 nan 0.000 0.437 432 L N 7.067 128.315 121.223 0.042 0.000 2.315 432 L HA 0.453 4.793 4.340 -0.001 0.000 0.283 432 L C 1.210 177.892 176.870 -0.312 0.000 1.089 432 L CA 0.663 55.305 54.840 -0.330 0.000 0.833 432 L CB 0.514 42.464 42.059 -0.182 0.000 1.170 432 L HN 0.484 nan 8.230 nan 0.000 0.442 433 R N 3.047 123.257 120.500 -0.483 0.000 2.195 433 R HA 0.278 4.617 4.340 -0.001 0.000 0.197 433 R C 0.138 176.212 176.300 -0.377 0.000 0.990 433 R CA 0.252 56.028 56.100 -0.540 0.000 1.048 433 R CB -0.030 29.495 30.300 -1.293 0.000 0.997 433 R HN 0.756 nan 8.270 nan 0.000 0.502 434 N N -0.253 118.233 118.700 -0.357 0.000 2.525 434 N HA 0.451 5.190 4.740 -0.001 0.000 0.270 434 N C -1.564 173.816 175.510 -0.216 0.000 1.321 434 N CA -0.522 52.408 53.050 -0.200 0.000 0.797 434 N CB 2.150 40.577 38.487 -0.099 0.000 1.529 434 N HN -0.191 nan 8.380 nan 0.000 0.491 435 I N 2.664 123.119 120.570 -0.192 0.000 2.571 435 I HA 0.371 4.540 4.170 -0.001 0.000 0.286 435 I C -0.912 175.046 176.117 -0.264 0.000 1.134 435 I CA -0.441 60.689 61.300 -0.282 0.000 1.052 435 I CB 1.858 39.739 38.000 -0.199 0.000 1.237 435 I HN 0.399 nan 8.210 nan 0.000 0.435 436 I N 6.298 126.664 120.570 -0.341 0.000 2.525 436 I HA 0.615 4.784 4.170 -0.001 0.000 0.301 436 I C -0.587 175.356 176.117 -0.291 0.000 0.992 436 I CA -1.012 60.125 61.300 -0.272 0.000 1.162 436 I CB 2.192 40.025 38.000 -0.279 0.000 1.332 436 I HN 0.152 nan 8.210 nan 0.000 0.458 437 V N 3.316 123.101 119.914 -0.215 0.000 2.760 437 V HA 0.312 4.431 4.120 -0.001 0.000 0.309 437 V C 0.064 176.049 176.094 -0.182 0.000 1.077 437 V CA -0.772 61.413 62.300 -0.191 0.000 0.910 437 V CB 2.038 33.772 31.823 -0.149 0.000 1.008 437 V HN 0.928 nan 8.190 nan 0.000 0.424 438 S N 2.203 117.806 115.700 -0.162 0.000 2.606 438 S HA 0.262 4.732 4.470 -0.001 0.000 0.257 438 S C 0.298 174.708 174.600 -0.316 0.000 1.327 438 S CA 0.196 58.236 58.200 -0.268 0.000 0.984 438 S CB 0.589 63.731 63.200 -0.097 0.000 0.941 438 S HN 0.910 nan 8.310 nan 0.000 0.576 439 N N -1.215 117.153 118.700 -0.554 0.000 2.381 439 N HA 0.245 4.985 4.740 -0.001 0.000 0.257 439 N C -0.129 175.226 175.510 -0.259 0.000 1.409 439 N CA -0.566 52.283 53.050 -0.336 0.000 0.836 439 N CB -0.163 38.147 38.487 -0.295 0.000 1.384 439 N HN 0.754 nan 8.380 nan 0.000 0.490 440 W N -0.138 121.175 121.300 0.020 0.000 2.374 440 W HA -0.129 4.530 4.660 -0.001 0.000 0.288 440 W C 2.373 178.913 176.519 0.036 0.000 1.218 440 W CA 1.474 58.842 57.345 0.038 0.000 1.245 440 W CB -0.423 29.069 29.460 0.054 0.000 1.126 440 W HN 0.193 nan 8.180 nan 0.000 0.545 441 T N -1.145 113.540 114.554 0.219 0.000 2.821 441 T HA -0.099 4.250 4.350 -0.001 0.000 0.267 441 T C 1.642 176.384 174.700 0.070 0.000 1.046 441 T CA 1.073 63.258 62.100 0.141 0.000 1.139 441 T CB -0.342 68.588 68.868 0.103 0.000 0.871 441 T HN 0.176 nan 8.240 nan 0.000 0.454 442 R N 1.167 121.683 120.500 0.026 0.000 2.246 442 R HA 0.182 4.522 4.340 -0.001 0.000 0.199 442 R C 0.448 176.723 176.300 -0.042 0.000 0.984 442 R CA 0.278 56.367 56.100 -0.019 0.000 1.015 442 R CB -0.092 30.183 30.300 -0.042 0.000 0.930 442 R HN 0.366 nan 8.270 nan 0.000 0.475 443 D N 2.318 122.709 120.400 -0.016 0.000 2.363 443 D HA -0.001 4.638 4.640 -0.001 0.000 0.263 443 D C -1.376 174.875 176.300 -0.081 0.000 1.258 443 D CA -2.171 51.809 54.000 -0.033 0.000 0.907 443 D CB 1.278 42.109 40.800 0.053 0.000 1.107 443 D HN -0.021 nan 8.370 nan 0.000 0.495 444 P HA -0.170 nan 4.420 nan 0.000 0.223 444 P C 0.486 177.515 177.300 -0.453 0.000 1.144 444 P CA 1.109 63.952 63.100 -0.429 0.000 0.783 444 P CB -0.111 31.201 31.700 -0.646 0.000 0.771 445 Y N -0.345 120.000 120.300 0.075 0.000 2.493 445 Y HA 0.114 4.663 4.550 -0.001 0.000 0.275 445 Y C 2.183 178.153 175.900 0.117 0.000 1.183 445 Y CA 0.183 58.334 58.100 0.084 0.000 1.258 445 Y CB 0.211 38.724 38.460 0.088 0.000 1.108 445 Y HN 0.126 nan 8.280 nan 0.000 0.521 446 S N -0.955 114.872 115.700 0.211 0.000 3.171 446 S HA 0.145 4.614 4.470 -0.001 0.000 0.258 446 S C 0.701 175.380 174.600 0.131 0.000 1.083 446 S CA -0.444 57.893 58.200 0.230 0.000 0.801 446 S CB 0.156 63.604 63.200 0.413 0.000 0.831 446 S HN 0.235 nan 8.310 nan 0.000 0.462 447 R N 2.236 122.804 120.500 0.113 0.000 3.264 447 R HA -0.006 4.333 4.340 -0.001 0.000 0.251 447 R C 0.503 176.878 176.300 0.125 0.000 0.971 447 R CA 0.468 56.597 56.100 0.048 0.000 0.658 447 R CB -2.221 28.036 30.300 -0.072 0.000 1.095 447 R HN 1.141 nan 8.270 nan 0.000 0.443 448 G N -2.347 106.613 108.800 0.267 0.000 2.331 448 G HA2 0.270 4.230 3.960 -0.001 0.000 0.402 448 G HA3 0.270 4.230 3.960 -0.001 0.000 0.402 448 G C 0.045 175.117 174.900 0.286 0.000 1.275 448 G CA -0.235 45.084 45.100 0.365 0.000 1.003 448 G HN 0.338 nan 8.290 nan 0.000 0.500 449 A N -1.240 121.584 122.820 0.007 0.000 1.909 449 A HA 0.760 5.080 4.320 -0.001 0.000 0.209 449 A C 0.565 177.900 177.584 -0.416 0.000 1.247 449 A CA 2.412 54.245 52.037 -0.340 0.000 0.660 449 A CB -0.069 18.558 19.000 -0.621 0.000 0.910 449 A HN 2.306 nan 8.150 nan 0.000 0.465 450 Y N -2.867 116.991 120.300 -0.737 0.000 2.851 450 Y HA 0.475 5.024 4.550 -0.001 0.000 0.359 450 Y C -0.175 174.861 175.900 -1.441 0.000 1.231 450 Y CA -1.500 55.953 58.100 -1.078 0.000 1.106 450 Y CB -0.144 38.037 38.460 -0.465 0.000 1.409 450 Y HN 0.198 nan 8.280 nan 0.000 0.454 451 S N 1.010 116.296 115.700 -0.691 0.000 2.546 451 S HA 0.657 5.126 4.470 -0.001 0.000 0.290 451 S C -0.063 174.491 174.600 -0.077 0.000 1.290 451 S CA 0.352 58.367 58.200 -0.308 0.000 1.069 451 S CB 0.303 63.487 63.200 -0.027 0.000 0.846 451 S HN 1.717 nan 8.310 nan 0.000 0.495 452 A N 1.929 124.718 122.820 -0.051 0.000 2.606 452 A HA 0.645 4.964 4.320 -0.001 0.000 0.293 452 A C -0.757 176.828 177.584 0.002 0.000 1.082 452 A CA -0.904 51.162 52.037 0.049 0.000 0.685 452 A CB 1.034 20.095 19.000 0.101 0.000 1.284 452 A HN 0.970 nan 8.150 nan 0.000 0.408 453 C N 1.069 120.413 119.300 0.074 0.000 2.295 453 C HA 0.624 5.083 4.460 -0.001 0.000 0.331 453 C C 0.049 175.189 174.990 0.249 0.000 1.280 453 C CA -0.354 58.712 59.018 0.080 0.000 1.746 453 C CB -1.187 26.594 27.740 0.069 0.000 2.328 453 C HN 0.618 nan 8.230 nan 0.000 0.521 454 F N 3.990 124.016 119.950 0.127 0.000 2.378 454 F HA 0.378 4.905 4.527 -0.001 0.000 0.325 454 F C -1.216 174.626 175.800 0.071 0.000 1.097 454 F CA -2.103 55.951 58.000 0.090 0.000 1.079 454 F CB 1.163 40.222 39.000 0.098 0.000 1.240 454 F HN 0.391 nan 8.300 nan 0.000 0.519 461 D N 0.424 120.777 120.400 -0.079 0.000 2.116 461 D HA -0.215 4.424 4.640 -0.001 0.000 0.193 461 D C 1.819 178.037 176.300 -0.137 0.000 0.998 461 D CA 2.274 56.218 54.000 -0.094 0.000 0.836 461 D CB -0.059 40.686 40.800 -0.092 0.000 0.951 461 D HN 0.441 nan 8.370 nan 0.000 0.449 462 M N 0.096 119.596 119.600 -0.168 0.000 2.099 462 M HA -0.084 4.395 4.480 -0.001 0.000 0.262 462 M C 1.938 178.128 176.300 -0.184 0.000 1.067 462 M CA 1.095 56.258 55.300 -0.228 0.000 1.124 462 M CB -0.346 32.110 32.600 -0.240 0.000 1.353 462 M HN -0.143 nan 8.290 nan 0.000 0.410 463 V N -0.728 119.107 119.914 -0.132 0.000 2.469 463 V HA -0.245 3.875 4.120 -0.001 0.000 0.251 463 V C 2.341 178.376 176.094 -0.098 0.000 1.064 463 V CA 1.627 63.860 62.300 -0.113 0.000 1.066 463 V CB -0.822 30.953 31.823 -0.080 0.000 0.667 463 V HN 0.398 nan 8.190 nan 0.000 0.461 464 V N -0.099 119.761 119.914 -0.090 0.000 2.323 464 V HA -0.168 3.951 4.120 -0.001 0.000 0.244 464 V C 2.661 178.711 176.094 -0.073 0.000 1.041 464 V CA 1.848 64.108 62.300 -0.068 0.000 1.025 464 V CB -0.867 30.922 31.823 -0.057 0.000 0.656 464 V HN 0.548 nan 8.190 nan 0.000 0.451 465 A N -0.488 122.266 122.820 -0.110 0.000 1.908 465 A HA -0.225 4.095 4.320 -0.001 0.000 0.218 465 A C 2.237 179.749 177.584 -0.120 0.000 1.181 465 A CA 2.019 53.984 52.037 -0.120 0.000 0.627 465 A CB -0.443 18.448 19.000 -0.182 0.000 0.818 465 A HN 0.412 nan 8.150 nan 0.000 0.445 466 M N 0.591 120.085 119.600 -0.176 0.000 2.077 466 M HA -0.121 4.358 4.480 -0.001 0.000 0.261 466 M C 2.505 178.834 176.300 0.049 0.000 1.070 466 M CA 2.068 57.277 55.300 -0.151 0.000 1.125 466 M CB -1.551 30.910 32.600 -0.232 0.000 1.339 466 M HN 0.645 nan 8.290 nan 0.000 0.409 467 S N 0.292 115.986 115.700 -0.010 0.000 2.442 467 S HA -0.077 4.393 4.470 -0.001 0.000 0.236 467 S C 1.329 175.949 174.600 0.033 0.000 1.007 467 S CA 1.053 59.259 58.200 0.010 0.000 0.965 467 S CB -0.532 62.656 63.200 -0.021 0.000 0.773 467 S HN 0.433 nan 8.310 nan 0.000 0.504 468 N N 1.814 120.536 118.700 0.036 0.000 2.280 468 N HA 0.275 5.014 4.740 -0.001 0.000 0.192 468 N C 1.030 176.590 175.510 0.083 0.000 1.109 468 N CA 0.731 53.806 53.050 0.042 0.000 0.855 468 N CB 0.120 38.618 38.487 0.019 0.000 0.974 468 N HN 0.633 nan 8.380 nan 0.000 0.482 469 G N 1.512 110.410 108.800 0.164 0.000 2.939 469 G HA2 -0.341 3.618 3.960 -0.001 0.000 0.278 469 G HA3 -0.341 3.618 3.960 -0.001 0.000 0.278 469 G C 0.571 175.616 174.900 0.241 0.000 1.487 469 G CA 0.391 45.643 45.100 0.252 0.000 0.935 469 G HN 0.319 nan 8.290 nan 0.000 0.553 470 Q N 0.077 120.040 119.800 0.272 0.000 2.123 470 Q HA 0.216 4.556 4.340 -0.001 0.000 0.199 470 Q C 0.921 176.972 176.000 0.085 0.000 0.966 470 Q CA 2.565 58.479 55.803 0.185 0.000 0.845 470 Q CB 0.099 28.925 28.738 0.148 0.000 0.907 470 Q HN 1.190 nan 8.270 nan 0.000 0.439 471 D N -3.945 116.489 120.400 0.057 0.000 2.798 471 D HA 0.013 4.653 4.640 -0.001 0.000 0.265 471 D C 0.217 176.537 176.300 0.033 0.000 1.223 471 D CA 0.195 54.217 54.000 0.038 0.000 0.743 471 D CB -0.220 40.595 40.800 0.025 0.000 1.276 471 D HN -0.028 nan 8.370 nan 0.000 0.421 472 S N -0.073 115.650 115.700 0.038 0.000 2.421 472 S HA -0.338 4.132 4.470 -0.001 0.000 0.239 472 S C 1.361 176.026 174.600 0.108 0.000 1.054 472 S CA 1.155 59.399 58.200 0.074 0.000 1.035 472 S CB -0.483 62.755 63.200 0.063 0.000 0.840 472 S HN 0.561 nan 8.310 nan 0.000 0.475 473 R N 0.185 120.678 120.500 -0.012 0.000 2.146 473 R HA 0.385 4.725 4.340 -0.001 0.000 0.206 473 R C 0.036 176.324 176.300 -0.019 0.000 1.049 473 R CA 0.197 56.236 56.100 -0.102 0.000 1.029 473 R CB -0.556 29.593 30.300 -0.251 0.000 0.949 473 R HN 0.430 nan 8.270 nan 0.000 0.471 474 I N 3.127 123.669 120.570 -0.047 0.000 2.291 474 I HA 0.125 4.294 4.170 -0.001 0.000 0.292 474 I C 0.231 176.188 176.117 -0.268 0.000 1.064 474 I CA -0.005 61.220 61.300 -0.125 0.000 1.269 474 I CB 0.529 38.496 38.000 -0.056 0.000 1.418 474 I HN -0.212 nan 8.210 nan 0.000 0.485 475 R N 5.329 125.632 120.500 -0.329 0.000 2.875 475 R HA 0.709 5.049 4.340 -0.001 0.000 0.251 475 R C -1.066 174.859 176.300 -0.625 0.000 1.123 475 R CA -0.935 54.962 56.100 -0.339 0.000 1.064 475 R CB 1.152 31.387 30.300 -0.107 0.000 1.205 475 R HN 0.246 nan 8.270 nan 0.000 0.503 476 F N -0.882 119.075 119.950 0.011 0.000 2.588 476 F HA 0.728 5.255 4.527 -0.001 0.000 0.310 476 F C 0.024 175.792 175.800 -0.052 0.000 1.082 476 F CA -0.784 57.218 58.000 0.002 0.000 0.929 476 F CB 2.339 41.336 39.000 -0.006 0.000 1.254 476 F HN 0.628 nan 8.300 nan 0.000 0.455 477 A N 1.062 123.966 122.820 0.138 0.000 2.564 477 A HA 1.000 5.320 4.320 -0.001 0.000 0.288 477 A C -0.366 177.219 177.584 0.002 0.000 1.164 477 A CA -0.397 51.650 52.037 0.017 0.000 0.712 477 A CB 1.586 20.587 19.000 0.002 0.000 1.303 477 A HN 1.802 nan 8.150 nan 0.000 0.418 478 G N -0.672 108.113 108.800 -0.025 0.000 2.392 478 G HA2 0.400 4.359 3.960 -0.001 0.000 0.677 478 G HA3 0.400 4.359 3.960 -0.001 0.000 0.677 478 G C -0.036 174.852 174.900 -0.019 0.000 1.334 478 G CA 0.644 45.776 45.100 0.052 0.000 0.961 478 G HN 1.841 nan 8.290 nan 0.000 0.616 479 E N -0.480 119.778 120.200 0.098 0.000 2.401 479 E HA -0.151 4.199 4.350 -0.001 0.000 0.199 479 E C 1.550 178.159 176.600 0.016 0.000 1.023 479 E CA 2.299 58.707 56.400 0.014 0.000 0.859 479 E CB -0.294 29.394 29.700 -0.019 0.000 0.780 479 E HN 0.888 nan 8.360 nan 0.000 0.523 480 H N -0.406 118.660 119.070 -0.008 0.000 2.551 480 H HA 0.213 4.769 4.556 -0.001 0.000 0.271 480 H C 0.666 175.964 175.328 -0.050 0.000 0.984 480 H CA 0.949 56.986 56.048 -0.019 0.000 1.164 480 H CB -0.199 29.594 29.762 0.052 0.000 1.437 480 H HN 0.264 nan 8.280 nan 0.000 0.550 481 T N -1.402 112.874 114.554 -0.463 0.000 3.214 481 T HA 0.419 4.768 4.350 -0.001 0.000 0.264 481 T C 0.279 174.878 174.700 -0.169 0.000 1.012 481 T CA -0.401 61.493 62.100 -0.343 0.000 0.901 481 T CB -0.503 68.151 68.868 -0.356 0.000 1.070 481 T HN 0.336 nan 8.240 nan 0.000 0.561 482 I N 0.016 120.508 120.570 -0.130 0.000 2.842 482 I HA 0.336 4.505 4.170 -0.001 0.000 0.297 482 I C 0.230 176.306 176.117 -0.068 0.000 1.380 482 I CA -1.192 60.060 61.300 -0.081 0.000 1.018 482 I CB 2.024 39.985 38.000 -0.064 0.000 1.311 482 I HN -0.136 nan 8.210 nan 0.000 0.439 483 M N 1.973 121.552 119.600 -0.036 0.000 2.102 483 M HA 0.051 4.531 4.480 -0.001 0.000 0.259 483 M C 0.064 176.362 176.300 -0.003 0.000 1.083 483 M CA 1.392 56.684 55.300 -0.014 0.000 1.141 483 M CB -0.721 31.885 32.600 0.010 0.000 1.318 483 M HN 0.447 nan 8.290 nan 0.000 0.421 484 D N 0.984 121.404 120.400 0.032 0.000 2.349 484 D HA 0.305 4.945 4.640 -0.001 0.000 0.266 484 D C 0.972 177.256 176.300 -0.026 0.000 1.293 484 D CA 0.764 54.812 54.000 0.081 0.000 0.926 484 D CB 0.114 41.010 40.800 0.160 0.000 1.090 484 D HN 0.655 nan 8.370 nan 0.000 0.502 485 G N 2.052 110.743 108.800 -0.182 0.000 2.130 485 G HA2 -0.161 3.799 3.960 -0.001 0.000 0.216 485 G HA3 -0.161 3.799 3.960 -0.001 0.000 0.216 485 G C 0.535 175.126 174.900 -0.515 0.000 0.999 485 G CA -0.080 44.601 45.100 -0.698 0.000 0.686 485 G HN 0.800 nan 8.290 nan 0.000 0.515 486 A N -0.382 122.248 122.820 -0.318 0.000 2.561 486 A HA 0.601 4.920 4.320 -0.001 0.000 0.234 486 A C 2.192 179.572 177.584 -0.341 0.000 1.055 486 A CA 2.097 53.982 52.037 -0.253 0.000 0.756 486 A CB -0.090 18.811 19.000 -0.165 0.000 0.986 486 A HN 2.414 nan 8.150 nan 0.000 0.505 487 G N 0.421 109.048 108.800 -0.289 0.000 2.220 487 G HA2 -0.300 3.660 3.960 -0.001 0.000 0.269 487 G HA3 -0.300 3.660 3.960 -0.001 0.000 0.269 487 G C 0.446 175.045 174.900 -0.502 0.000 0.977 487 G CA 0.607 45.459 45.100 -0.414 0.000 0.634 487 G HN 1.192 nan 8.290 nan 0.000 0.539 488 C N -0.142 118.901 119.300 -0.429 0.000 2.399 488 C HA 0.800 5.260 4.460 -0.001 0.000 0.348 488 C C 2.244 177.084 174.990 -0.250 0.000 1.183 488 C CA 0.178 58.984 59.018 -0.354 0.000 2.023 488 C CB 1.224 28.707 27.740 -0.429 0.000 2.361 488 C HN 0.840 nan 8.230 nan 0.000 0.521 489 A N 0.715 123.455 122.820 -0.132 0.000 1.933 489 A HA -0.168 4.151 4.320 -0.001 0.000 0.218 489 A C 1.751 179.397 177.584 0.102 0.000 1.175 489 A CA 2.086 54.086 52.037 -0.061 0.000 0.628 489 A CB -0.762 18.142 19.000 -0.161 0.000 0.814 489 A HN 1.070 nan 8.150 nan 0.000 0.444 490 Y N -1.086 119.260 120.300 0.076 0.000 2.395 490 Y HA 0.255 4.804 4.550 -0.001 0.000 0.293 490 Y C 2.068 178.110 175.900 0.236 0.000 1.123 490 Y CA 0.475 58.650 58.100 0.125 0.000 1.227 490 Y CB -1.054 37.425 38.460 0.032 0.000 1.012 490 Y HN 0.058 nan 8.280 nan 0.000 0.552 491 G N 0.824 109.408 108.800 -0.360 0.000 2.394 491 G HA2 -0.136 3.823 3.960 -0.001 0.000 0.214 491 G HA3 -0.136 3.823 3.960 -0.001 0.000 0.214 491 G C 1.845 176.745 174.900 -0.001 0.000 1.176 491 G CA 1.063 46.027 45.100 -0.228 0.000 0.786 491 G HN 0.627 nan 8.290 nan 0.000 0.533 492 A N 0.390 123.209 122.820 -0.001 0.000 1.873 492 A HA -0.148 4.171 4.320 -0.001 0.000 0.218 492 A C 2.174 179.845 177.584 0.145 0.000 1.193 492 A CA 1.818 53.888 52.037 0.055 0.000 0.629 492 A CB -1.063 17.968 19.000 0.051 0.000 0.826 492 A HN 0.608 nan 8.150 nan 0.000 0.447 493 W N 0.813 122.129 121.300 0.026 0.000 2.318 493 W HA -0.279 4.381 4.660 -0.001 0.000 0.313 493 W C 2.036 178.596 176.519 0.068 0.000 1.221 493 W CA 2.501 59.888 57.345 0.070 0.000 1.266 493 W CB -0.152 29.384 29.460 0.126 0.000 1.150 493 W HN 0.427 nan 8.180 nan 0.000 0.496 494 E N 0.526 120.959 120.200 0.388 0.000 2.077 494 E HA -0.230 4.119 4.350 -0.001 0.000 0.193 494 E C 2.370 178.932 176.600 -0.064 0.000 0.989 494 E CA 2.465 58.939 56.400 0.123 0.000 0.800 494 E CB -0.726 29.172 29.700 0.330 0.000 0.746 494 E HN 0.308 nan 8.360 nan 0.000 0.452 495 S N -0.951 114.739 115.700 -0.017 0.000 2.419 495 S HA -0.078 4.392 4.470 -0.001 0.000 0.233 495 S C 2.178 176.723 174.600 -0.092 0.000 1.016 495 S CA 1.031 59.199 58.200 -0.053 0.000 0.974 495 S CB -0.831 62.339 63.200 -0.050 0.000 0.786 495 S HN 0.350 nan 8.310 nan 0.000 0.492 496 G N 1.876 110.600 108.800 -0.128 0.000 2.404 496 G HA2 -0.158 3.801 3.960 -0.001 0.000 0.215 496 G HA3 -0.158 3.801 3.960 -0.001 0.000 0.215 496 G C 1.539 176.310 174.900 -0.215 0.000 1.174 496 G CA 0.591 45.597 45.100 -0.157 0.000 0.780 496 G HN 0.560 nan 8.290 nan 0.000 0.537 497 R N 0.341 120.640 120.500 -0.334 0.000 2.081 497 R HA -0.023 4.317 4.340 -0.001 0.000 0.235 497 R C 2.553 178.739 176.300 -0.190 0.000 1.131 497 R CA 1.467 57.373 56.100 -0.323 0.000 0.960 497 R CB -0.312 29.696 30.300 -0.487 0.000 0.856 497 R HN 0.353 nan 8.270 nan 0.000 0.436 498 R N 0.408 120.818 120.500 -0.149 0.000 2.088 498 R HA -0.168 4.171 4.340 -0.001 0.000 0.232 498 R C 1.801 178.044 176.300 -0.094 0.000 1.136 498 R CA 1.988 58.031 56.100 -0.094 0.000 0.926 498 R CB -0.202 30.060 30.300 -0.063 0.000 0.837 498 R HN 0.217 nan 8.270 nan 0.000 0.429 499 E N 0.345 120.488 120.200 -0.094 0.000 2.077 499 E HA -0.172 4.178 4.350 -0.001 0.000 0.193 499 E C 1.888 178.411 176.600 -0.128 0.000 0.989 499 E CA 1.375 57.717 56.400 -0.097 0.000 0.800 499 E CB -0.369 29.282 29.700 -0.082 0.000 0.746 499 E HN 0.520 nan 8.360 nan 0.000 0.452 500 A N 0.729 123.468 122.820 -0.134 0.000 1.933 500 A HA -0.148 4.171 4.320 -0.001 0.000 0.218 500 A C 2.451 179.953 177.584 -0.136 0.000 1.175 500 A CA 1.991 53.944 52.037 -0.140 0.000 0.628 500 A CB -0.798 18.124 19.000 -0.130 0.000 0.814 500 A HN 0.241 nan 8.150 nan 0.000 0.444 501 T N -0.707 113.773 114.554 -0.122 0.000 2.701 501 T HA -0.145 4.204 4.350 -0.001 0.000 0.263 501 T C 2.073 176.704 174.700 -0.114 0.000 1.040 501 T CA 1.495 63.532 62.100 -0.104 0.000 1.147 501 T CB -0.266 68.551 68.868 -0.086 0.000 0.865 501 T HN 0.608 nan 8.240 nan 0.000 0.426 502 R N 0.720 121.150 120.500 -0.116 0.000 2.113 502 R HA -0.120 4.219 4.340 -0.001 0.000 0.244 502 R C 2.324 178.508 176.300 -0.194 0.000 1.142 502 R CA 1.714 57.740 56.100 -0.123 0.000 0.953 502 R CB -0.532 29.706 30.300 -0.102 0.000 0.860 502 R HN 0.419 nan 8.270 nan 0.000 0.438 503 I N 0.204 120.606 120.570 -0.280 0.000 2.202 503 I HA -0.223 3.946 4.170 -0.001 0.000 0.242 503 I C 2.393 178.320 176.117 -0.317 0.000 1.091 503 I CA 1.189 62.204 61.300 -0.476 0.000 1.368 503 I CB -0.366 37.297 38.000 -0.561 0.000 1.058 503 I HN 0.184 nan 8.210 nan 0.000 0.410 504 S N 0.761 116.339 115.700 -0.204 0.000 2.372 504 S HA -0.247 4.223 4.470 -0.001 0.000 0.227 504 S C 1.615 176.153 174.600 -0.102 0.000 1.044 504 S CA 1.912 60.035 58.200 -0.129 0.000 1.050 504 S CB -0.416 62.729 63.200 -0.091 0.000 0.901 504 S HN 0.447 nan 8.310 nan 0.000 0.447 505 D N 1.218 121.558 120.400 -0.100 0.000 2.097 505 D HA -0.033 4.607 4.640 -0.001 0.000 0.195 505 D C 1.992 178.253 176.300 -0.065 0.000 0.989 505 D CA 0.796 54.755 54.000 -0.067 0.000 0.827 505 D CB -0.511 40.253 40.800 -0.060 0.000 0.966 505 D HN 0.308 nan 8.370 nan 0.000 0.456 506 L N 0.375 121.535 121.223 -0.105 0.000 2.042 506 L HA -0.142 4.197 4.340 -0.001 0.000 0.210 506 L C 2.474 179.319 176.870 -0.041 0.000 1.076 506 L CA 0.748 55.542 54.840 -0.075 0.000 0.749 506 L CB -0.378 41.618 42.059 -0.105 0.000 0.893 506 L HN 0.044 nan 8.230 nan 0.000 0.432 507 L N -0.318 120.861 121.223 -0.073 0.000 2.362 507 L HA -0.165 4.174 4.340 -0.001 0.000 0.219 507 L C 2.510 179.412 176.870 0.052 0.000 1.134 507 L CA 0.521 55.356 54.840 -0.008 0.000 0.807 507 L CB -0.402 41.625 42.059 -0.054 0.000 0.927 507 L HN 0.216 nan 8.230 nan 0.000 0.447 508 K N 1.478 121.904 120.400 0.044 0.000 2.044 508 K HA -0.065 4.254 4.320 -0.001 0.000 0.204 508 K C 1.627 178.299 176.600 0.120 0.000 1.049 508 K CA 1.359 57.728 56.287 0.137 0.000 0.945 508 K CB -0.313 32.221 32.500 0.057 0.000 0.724 508 K HN 0.191 nan 8.250 nan 0.000 0.440 509 L N 1.836 123.069 121.223 0.016 0.000 2.737 509 L HA 0.084 4.424 4.340 -0.001 0.000 0.246 509 L C 0.337 177.137 176.870 -0.116 0.000 1.153 509 L CA 0.063 54.874 54.840 -0.048 0.000 0.920 509 L CB -0.614 41.410 42.059 -0.057 0.000 1.090 509 L HN 0.292 nan 8.230 nan 0.000 0.430 510 E N 1.154 121.339 120.200 -0.026 0.000 1.881 510 E HA -0.069 4.280 4.350 -0.001 0.000 0.264 510 E C 0.053 176.637 176.600 -0.025 0.000 1.243 510 E CA -0.505 55.876 56.400 -0.033 0.000 0.965 510 E CB 0.075 29.864 29.700 0.149 0.000 1.055 510 E HN 0.271 nan 8.360 nan 0.000 0.412 511 H N 4.805 123.906 119.070 0.052 0.000 1.801 511 H HA -0.281 4.275 4.556 -0.001 0.000 0.340 511 H C 0.102 175.487 175.328 0.095 0.000 0.860 511 H CA 1.654 57.734 56.048 0.054 0.000 1.107 511 H CB -1.726 28.073 29.762 0.063 0.000 1.558 511 H HN 0.706 nan 8.280 nan 0.000 0.314 512 H N -0.079 118.923 119.070 -0.113 0.000 3.946 512 H HA -0.193 4.362 4.556 -0.001 0.000 0.278 512 H C -0.858 174.374 175.328 -0.161 0.000 0.686 512 H CA 1.183 57.095 56.048 -0.227 0.000 0.799 512 H CB -0.559 29.155 29.762 -0.081 0.000 1.299 512 H HN 0.837 nan 8.280 nan 0.000 0.310 513 H N 0.000 118.763 119.070 -0.512 0.000 2.539 513 H HA 0.000 4.556 4.556 -0.001 0.000 0.296 513 H CA 0.000 55.810 56.048 -0.396 0.000 1.023 513 H CB 0.000 29.676 29.762 -0.143 0.000 1.292 513 H HN 0.000 nan 8.280 nan 0.000 0.496