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 3o7q_1_A DATA FIRST_RESID 22 DATA SEQUENCE RSYIIPFALL CSLFFLWAVA NNLNDILLPQ FQQAFTLTNF QAGLIQSAFY DATA SEQUENCE FGYFIIPIPA GILMKKLSYK AGIITGLFLY ALGAALFWPA AEIMNYTLFL DATA SEQUENCE VGLFIIAAGL GCLETAANPF VTVLGPESSG HFRLNLAQTF NSFGAIIAVV DATA SEQUENCE FGQSLILSNV PHQSQDVLDK MSPEQLSAYK HSLVLSVQTP YMIIVAIVLL DATA SEQUENCE VALLIMLTKF PALQSDNHSD AKQGSFSASL SRLARIRHWR WAVLAQFCYV DATA SEQUENCE GAQTACWSYL IRYAVEEIPG MTAGFAANYL TGTMVCFFIG RFTGTWLISR DATA SEQUENCE FAPHKVLAAY ALIAMALCLI SAFAGGHVGL IALTLCSAFM SIQYPTIFSL DATA SEQUENCE GIKNLGQDTK YGSSFIVMTI IGGGIVTPVM GFVSDAAGNI PTAELIPALC DATA SEQUENCE FAVIFIFARF RSQT 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 22 R HA 0.000 nan 4.340 nan 0.000 0.208 22 R C 0.000 176.359 176.300 0.099 0.000 0.893 22 R CA 0.000 56.158 56.100 0.096 0.000 0.921 22 R CB 0.000 30.337 30.300 0.062 0.000 0.687 23 S N 0.167 115.932 115.700 0.108 0.000 2.489 23 S HA 0.034 4.504 4.470 -0.000 0.000 0.228 23 S C 1.345 175.922 174.600 -0.039 0.000 0.995 23 S CA 0.572 58.776 58.200 0.006 0.000 0.934 23 S CB -0.268 62.898 63.200 -0.055 0.000 0.771 23 S HN 0.359 nan 8.310 nan 0.000 0.522 24 Y N 1.218 121.526 120.300 0.014 0.000 2.490 24 Y HA 0.364 4.914 4.550 -0.000 0.000 0.285 24 Y C 2.007 177.942 175.900 0.058 0.000 1.117 24 Y CA 0.216 58.325 58.100 0.015 0.000 1.262 24 Y CB -0.221 38.216 38.460 -0.038 0.000 1.043 24 Y HN 0.262 nan 8.280 nan 0.000 0.553 25 I N -1.121 119.579 120.570 0.217 0.000 2.339 25 I HA -0.188 3.982 4.170 -0.000 0.000 0.245 25 I C 1.622 177.862 176.117 0.205 0.000 1.096 25 I CA 0.931 62.366 61.300 0.225 0.000 1.408 25 I CB -0.245 37.851 38.000 0.161 0.000 1.092 25 I HN 0.090 nan 8.210 nan 0.000 0.423 26 I N 1.057 121.690 120.570 0.106 0.000 2.202 26 I HA -0.134 4.036 4.170 -0.000 0.000 0.242 26 I C -0.490 175.647 176.117 0.035 0.000 1.091 26 I CA 1.740 63.068 61.300 0.046 0.000 1.368 26 I CB -1.681 36.317 38.000 -0.002 0.000 1.058 26 I HN 0.110 nan 8.210 nan 0.000 0.410 27 P HA -0.224 nan 4.420 nan 0.000 0.216 27 P C 1.849 179.295 177.300 0.243 0.000 1.153 27 P CA 1.426 64.550 63.100 0.041 0.000 0.858 27 P CB -0.143 31.591 31.700 0.056 0.000 0.789 28 F N 1.075 121.074 119.950 0.082 0.000 2.075 28 F HA -0.151 4.376 4.527 -0.000 0.000 0.297 28 F C 2.215 178.020 175.800 0.008 0.000 1.113 28 F CA 1.496 59.524 58.000 0.047 0.000 1.218 28 F CB -1.213 37.808 39.000 0.034 0.000 0.984 28 F HN -0.123 nan 8.300 nan 0.000 0.472 29 A N 0.387 123.084 122.820 -0.207 0.000 1.940 29 A HA -0.190 4.130 4.320 -0.000 0.000 0.219 29 A C 2.196 179.616 177.584 -0.273 0.000 1.176 29 A CA 1.836 53.667 52.037 -0.344 0.000 0.631 29 A CB -1.342 17.573 19.000 -0.142 0.000 0.814 29 A HN 0.557 nan 8.150 nan 0.000 0.446 30 L N -0.469 120.688 121.223 -0.110 0.000 2.027 30 L HA -0.077 4.263 4.340 -0.000 0.000 0.206 30 L C 2.282 179.154 176.870 0.003 0.000 1.074 30 L CA 1.610 56.426 54.840 -0.041 0.000 0.745 30 L CB -0.356 41.709 42.059 0.010 0.000 0.898 30 L HN 0.388 nan 8.230 nan 0.000 0.433 31 L N -1.324 119.938 121.223 0.064 0.000 2.079 31 L HA -0.304 4.036 4.340 -0.000 0.000 0.210 31 L C 2.615 179.543 176.870 0.098 0.000 1.081 31 L CA 1.464 56.408 54.840 0.173 0.000 0.752 31 L CB -0.692 41.515 42.059 0.246 0.000 0.896 31 L HN 0.452 nan 8.230 nan 0.000 0.433 32 C N -0.523 118.622 119.300 -0.259 0.000 2.436 32 C HA -0.170 4.290 4.460 -0.000 0.000 0.277 32 C C 3.260 178.035 174.990 -0.358 0.000 1.241 32 C CA 1.262 59.993 59.018 -0.478 0.000 1.721 32 C CB -0.875 26.226 27.740 -1.066 0.000 2.043 32 C HN 0.704 nan 8.230 nan 0.000 0.472 33 S N 0.939 116.420 115.700 -0.365 0.000 2.383 33 S HA -0.137 4.333 4.470 -0.000 0.000 0.229 33 S C 1.557 176.241 174.600 0.139 0.000 1.030 33 S CA 1.383 59.507 58.200 -0.127 0.000 1.002 33 S CB -0.572 62.561 63.200 -0.112 0.000 0.829 33 S HN 0.397 nan 8.310 nan 0.000 0.467 34 L N 0.079 121.382 121.223 0.133 0.000 2.156 34 L HA 0.288 4.628 4.340 -0.000 0.000 0.208 34 L C 2.212 179.232 176.870 0.250 0.000 1.095 34 L CA 1.155 56.105 54.840 0.184 0.000 0.770 34 L CB -1.046 41.107 42.059 0.157 0.000 0.914 34 L HN 0.238 nan 8.230 nan 0.000 0.439 35 F N -1.350 118.676 119.950 0.126 0.000 2.102 35 F HA -0.309 4.218 4.527 -0.000 0.000 0.298 35 F C 2.435 178.421 175.800 0.309 0.000 1.105 35 F CA 1.752 59.876 58.000 0.207 0.000 1.239 35 F CB -0.382 38.740 39.000 0.204 0.000 0.991 35 F HN 0.097 nan 8.300 nan 0.000 0.474 36 F N 0.248 120.421 119.950 0.372 0.000 2.046 36 F HA -0.267 4.260 4.527 -0.000 0.000 0.297 36 F C 2.112 177.985 175.800 0.121 0.000 1.123 36 F CA 1.585 59.742 58.000 0.261 0.000 1.199 36 F CB -0.926 38.212 39.000 0.230 0.000 0.972 36 F HN -0.082 nan 8.300 nan 0.000 0.474 37 L N 0.838 122.101 121.223 0.067 0.000 1.971 37 L HA -0.272 4.068 4.340 -0.000 0.000 0.215 37 L C 2.521 179.310 176.870 -0.135 0.000 1.072 37 L CA 2.541 57.330 54.840 -0.086 0.000 0.758 37 L CB -1.423 40.698 42.059 0.105 0.000 0.889 37 L HN 0.640 nan 8.230 nan 0.000 0.433 38 W N 0.493 121.690 121.300 -0.173 0.000 2.325 38 W HA -0.292 4.368 4.660 -0.000 0.000 0.299 38 W C 2.029 178.393 176.519 -0.258 0.000 1.215 38 W CA 2.033 59.244 57.345 -0.224 0.000 1.244 38 W CB -0.608 28.695 29.460 -0.262 0.000 1.140 38 W HN 0.349 nan 8.180 nan 0.000 0.523 39 A N 0.771 123.439 122.820 -0.254 0.000 2.019 39 A HA -0.129 4.191 4.320 -0.000 0.000 0.219 39 A C 2.168 179.458 177.584 -0.491 0.000 1.164 39 A CA 2.449 54.286 52.037 -0.334 0.000 0.644 39 A CB -0.884 18.102 19.000 -0.024 0.000 0.805 39 A HN 0.204 nan 8.150 nan 0.000 0.449 40 V N -0.609 118.980 119.914 -0.542 0.000 2.302 40 V HA -0.098 4.022 4.120 -0.000 0.000 0.243 40 V C 2.969 178.814 176.094 -0.415 0.000 1.036 40 V CA 1.525 63.534 62.300 -0.486 0.000 1.020 40 V CB -1.479 30.033 31.823 -0.518 0.000 0.657 40 V HN 0.531 nan 8.190 nan 0.000 0.453 41 A N 0.943 123.504 122.820 -0.432 0.000 1.940 41 A HA -0.305 4.015 4.320 -0.000 0.000 0.219 41 A C 2.091 179.390 177.584 -0.475 0.000 1.176 41 A CA 2.565 54.374 52.037 -0.381 0.000 0.631 41 A CB -0.863 17.947 19.000 -0.317 0.000 0.814 41 A HN 0.632 nan 8.150 nan 0.000 0.446 42 N N 0.924 119.153 118.700 -0.784 0.000 2.109 42 N HA -0.177 4.563 4.740 -0.000 0.000 0.188 42 N C 1.429 176.720 175.510 -0.365 0.000 1.034 42 N CA 2.009 54.611 53.050 -0.745 0.000 0.846 42 N CB -0.724 36.967 38.487 -1.327 0.000 1.010 42 N HN 0.749 nan 8.380 nan 0.000 0.425 43 N N -0.056 118.442 118.700 -0.336 0.000 2.453 43 N HA -0.072 4.667 4.740 -0.000 0.000 0.183 43 N C 1.843 177.252 175.510 -0.168 0.000 1.041 43 N CA 0.335 53.266 53.050 -0.199 0.000 0.900 43 N CB -0.218 38.163 38.487 -0.177 0.000 0.961 43 N HN 0.214 nan 8.380 nan 0.000 0.443 44 L N 0.720 121.818 121.223 -0.208 0.000 2.046 44 L HA -0.175 4.165 4.340 -0.000 0.000 0.208 44 L C 2.305 179.084 176.870 -0.151 0.000 1.077 44 L CA 1.527 56.267 54.840 -0.167 0.000 0.747 44 L CB -0.591 41.353 42.059 -0.191 0.000 0.896 44 L HN 0.407 nan 8.230 nan 0.000 0.432 45 N N -0.066 118.523 118.700 -0.185 0.000 2.166 45 N HA -0.224 4.516 4.740 -0.000 0.000 0.186 45 N C 1.354 176.852 175.510 -0.019 0.000 1.019 45 N CA 1.599 54.559 53.050 -0.150 0.000 0.856 45 N CB 0.055 38.481 38.487 -0.101 0.000 0.993 45 N HN 0.202 nan 8.380 nan 0.000 0.426 46 D N -0.080 120.300 120.400 -0.034 0.000 2.144 46 D HA -0.069 4.571 4.640 -0.000 0.000 0.200 46 D C 1.843 178.145 176.300 0.004 0.000 0.978 46 D CA 0.802 54.799 54.000 -0.005 0.000 0.833 46 D CB -0.153 40.629 40.800 -0.029 0.000 0.961 46 D HN 0.440 nan 8.370 nan 0.000 0.470 47 I N 0.127 120.688 120.570 -0.015 0.000 2.252 47 I HA -0.208 3.962 4.170 -0.000 0.000 0.245 47 I C 2.169 178.311 176.117 0.042 0.000 1.102 47 I CA 0.828 62.126 61.300 -0.003 0.000 1.385 47 I CB -0.118 37.868 38.000 -0.024 0.000 1.064 47 I HN -0.010 nan 8.210 nan 0.000 0.414 48 L N -0.241 121.038 121.223 0.094 0.000 2.209 48 L HA -0.085 4.255 4.340 -0.000 0.000 0.207 48 L C 2.485 179.533 176.870 0.296 0.000 1.094 48 L CA 0.629 55.587 54.840 0.197 0.000 0.790 48 L CB -0.333 41.936 42.059 0.349 0.000 0.932 48 L HN 0.241 nan 8.230 nan 0.000 0.447 49 L N 0.347 121.745 121.223 0.292 0.000 2.043 49 L HA -0.186 4.154 4.340 -0.000 0.000 0.212 49 L C -0.204 176.804 176.870 0.230 0.000 1.075 49 L CA 1.776 56.790 54.840 0.289 0.000 0.752 49 L CB -1.146 40.969 42.059 0.092 0.000 0.891 49 L HN 0.181 nan 8.230 nan 0.000 0.432 50 P HA -0.225 nan 4.420 nan 0.000 0.216 50 P C 1.298 178.650 177.300 0.086 0.000 1.154 50 P CA 1.238 64.385 63.100 0.078 0.000 0.865 50 P CB 0.045 31.768 31.700 0.039 0.000 0.789 51 Q N -1.456 118.390 119.800 0.077 0.000 2.077 51 Q HA -0.188 4.152 4.340 -0.000 0.000 0.206 51 Q C 1.960 177.956 176.000 -0.006 0.000 0.989 51 Q CA 1.766 57.569 55.803 0.001 0.000 0.853 51 Q CB -1.414 27.278 28.738 -0.077 0.000 0.907 51 Q HN 0.257 nan 8.270 nan 0.000 0.418 52 F N 0.544 120.439 119.950 -0.093 0.000 2.045 52 F HA -0.345 4.181 4.527 -0.000 0.000 0.297 52 F C 2.416 178.071 175.800 -0.241 0.000 1.114 52 F CA 2.015 59.844 58.000 -0.284 0.000 1.207 52 F CB -0.505 38.210 39.000 -0.475 0.000 0.964 52 F HN 0.200 nan 8.300 nan 0.000 0.486 53 Q N -0.400 119.417 119.800 0.028 0.000 2.016 53 Q HA -0.215 4.125 4.340 -0.000 0.000 0.200 53 Q C 2.134 178.190 176.000 0.093 0.000 0.978 53 Q CA 1.493 57.302 55.803 0.010 0.000 0.833 53 Q CB -0.465 28.269 28.738 -0.007 0.000 0.895 53 Q HN 0.512 nan 8.270 nan 0.000 0.427 54 Q N -0.189 119.659 119.800 0.080 0.000 2.443 54 Q HA -0.122 4.218 4.340 -0.000 0.000 0.213 54 Q C 1.693 177.763 176.000 0.116 0.000 0.982 54 Q CA 0.984 56.831 55.803 0.074 0.000 0.894 54 Q CB -0.014 28.748 28.738 0.040 0.000 0.947 54 Q HN 0.362 nan 8.270 nan 0.000 0.480 55 A N -0.101 122.836 122.820 0.195 0.000 1.901 55 A HA 0.052 4.372 4.320 -0.000 0.000 0.210 55 A C 1.119 178.822 177.584 0.198 0.000 1.208 55 A CA 0.211 52.382 52.037 0.224 0.000 0.644 55 A CB -0.148 18.991 19.000 0.231 0.000 0.863 55 A HN 0.315 nan 8.150 nan 0.000 0.454 56 F N 2.375 122.321 119.950 -0.006 0.000 2.701 56 F HA 0.114 4.641 4.527 -0.000 0.000 0.295 56 F C 1.045 176.839 175.800 -0.012 0.000 1.165 56 F CA 0.018 58.014 58.000 -0.007 0.000 1.399 56 F CB -0.273 38.710 39.000 -0.027 0.000 0.996 56 F HN 0.089 nan 8.300 nan 0.000 0.513 57 T N -0.163 114.476 114.554 0.142 0.000 2.940 57 T HA 0.421 4.771 4.350 -0.000 0.000 0.309 57 T C -0.074 174.653 174.700 0.045 0.000 1.056 57 T CA -0.117 62.029 62.100 0.076 0.000 1.137 57 T CB 1.570 70.470 68.868 0.054 0.000 0.976 57 T HN 0.214 nan 8.240 nan 0.000 0.547 58 L N 1.394 122.635 121.223 0.031 0.000 2.161 58 L HA 0.817 5.157 4.340 -0.000 0.000 0.248 58 L C -0.095 176.784 176.870 0.014 0.000 1.088 58 L CA -1.182 53.675 54.840 0.028 0.000 0.987 58 L CB 2.337 44.408 42.059 0.020 0.000 1.563 58 L HN 1.066 nan 8.230 nan 0.000 0.472 59 T N -3.384 111.175 114.554 0.008 0.000 2.775 59 T HA 0.263 4.613 4.350 -0.000 0.000 0.320 59 T C -0.479 174.230 174.700 0.014 0.000 1.597 59 T CA -0.705 61.395 62.100 -0.000 0.000 1.022 59 T CB 1.818 70.663 68.868 -0.039 0.000 1.485 59 T HN 0.429 nan 8.240 nan 0.000 0.494 60 N N -0.467 118.256 118.700 0.038 0.000 2.660 60 N HA 0.291 5.031 4.740 -0.000 0.000 0.231 60 N C 1.346 176.911 175.510 0.091 0.000 1.022 60 N CA -0.065 53.023 53.050 0.063 0.000 1.178 60 N CB -0.329 38.204 38.487 0.077 0.000 1.536 60 N HN 0.550 nan 8.380 nan 0.000 0.582 61 F N 2.755 122.703 119.950 -0.003 0.000 2.095 61 F HA -0.154 4.373 4.527 -0.000 0.000 0.298 61 F C 2.275 178.094 175.800 0.031 0.000 1.104 61 F CA 1.826 59.833 58.000 0.011 0.000 1.232 61 F CB -0.497 38.505 39.000 0.004 0.000 0.987 61 F HN 0.193 nan 8.300 nan 0.000 0.475 62 Q N 1.028 120.752 119.800 -0.126 0.000 2.234 62 Q HA -0.162 4.178 4.340 -0.000 0.000 0.206 62 Q C 2.271 178.215 176.000 -0.093 0.000 0.980 62 Q CA 1.428 57.119 55.803 -0.187 0.000 0.869 62 Q CB -1.566 27.050 28.738 -0.204 0.000 0.912 62 Q HN 0.548 nan 8.270 nan 0.000 0.436 63 A N 1.955 124.734 122.820 -0.068 0.000 1.902 63 A HA -0.050 4.270 4.320 -0.000 0.000 0.217 63 A C 2.489 180.051 177.584 -0.037 0.000 1.181 63 A CA 1.744 53.771 52.037 -0.018 0.000 0.623 63 A CB -1.314 17.683 19.000 -0.005 0.000 0.818 63 A HN 0.533 nan 8.150 nan 0.000 0.443 64 G N -0.273 108.460 108.800 -0.112 0.000 2.442 64 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.219 64 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.219 64 G C 1.510 176.354 174.900 -0.094 0.000 1.141 64 G CA 1.004 46.040 45.100 -0.107 0.000 0.763 64 G HN 0.446 nan 8.290 nan 0.000 0.554 65 L N 0.144 121.272 121.223 -0.159 0.000 2.191 65 L HA -0.005 4.335 4.340 -0.000 0.000 0.212 65 L C 2.771 179.709 176.870 0.114 0.000 1.103 65 L CA 0.508 55.345 54.840 -0.005 0.000 0.769 65 L CB -0.218 41.853 42.059 0.020 0.000 0.908 65 L HN 0.237 nan 8.230 nan 0.000 0.438 66 I N -0.751 119.873 120.570 0.090 0.000 2.252 66 I HA -0.236 3.934 4.170 -0.000 0.000 0.245 66 I C 2.401 178.553 176.117 0.058 0.000 1.102 66 I CA 0.852 62.202 61.300 0.083 0.000 1.385 66 I CB -0.330 37.726 38.000 0.093 0.000 1.064 66 I HN 0.366 nan 8.210 nan 0.000 0.414 67 Q N 0.578 120.429 119.800 0.086 0.000 2.291 67 Q HA -0.103 4.237 4.340 -0.000 0.000 0.206 67 Q C 2.281 178.465 176.000 0.307 0.000 0.976 67 Q CA 1.333 57.244 55.803 0.180 0.000 0.875 67 Q CB -0.469 28.366 28.738 0.162 0.000 0.927 67 Q HN 0.500 nan 8.270 nan 0.000 0.450 68 S N 1.310 117.096 115.700 0.142 0.000 2.406 68 S HA 0.008 4.478 4.470 -0.000 0.000 0.228 68 S C 2.113 176.676 174.600 -0.062 0.000 1.020 68 S CA 0.714 58.988 58.200 0.123 0.000 0.965 68 S CB -0.196 63.082 63.200 0.129 0.000 0.798 68 S HN 0.485 nan 8.310 nan 0.000 0.488 69 A N 1.669 124.232 122.820 -0.428 0.000 1.948 69 A HA -0.123 4.197 4.320 -0.000 0.000 0.220 69 A C 1.827 179.422 177.584 0.018 0.000 1.177 69 A CA 1.546 53.242 52.037 -0.568 0.000 0.636 69 A CB -0.967 17.760 19.000 -0.455 0.000 0.815 69 A HN 0.542 nan 8.150 nan 0.000 0.449 70 F N -0.760 119.221 119.950 0.051 0.000 2.046 70 F HA -0.258 4.269 4.527 -0.000 0.000 0.297 70 F C 2.223 178.142 175.800 0.199 0.000 1.123 70 F CA 2.127 60.224 58.000 0.161 0.000 1.199 70 F CB -0.387 38.687 39.000 0.122 0.000 0.972 70 F HN 0.303 nan 8.300 nan 0.000 0.474 71 Y N -0.744 119.511 120.300 -0.076 0.000 2.181 71 Y HA -0.254 4.296 4.550 -0.000 0.000 0.288 71 Y C 2.272 178.212 175.900 0.065 0.000 1.146 71 Y CA 1.561 59.588 58.100 -0.121 0.000 1.164 71 Y CB -0.919 37.529 38.460 -0.021 0.000 0.982 71 Y HN 0.265 nan 8.280 nan 0.000 0.515 72 F N 0.739 120.758 119.950 0.116 0.000 2.011 72 F HA -0.212 4.315 4.527 -0.000 0.000 0.296 72 F C 2.378 178.187 175.800 0.015 0.000 1.144 72 F CA 1.889 59.941 58.000 0.087 0.000 1.185 72 F CB -1.070 37.953 39.000 0.038 0.000 0.961 72 F HN -0.017 nan 8.300 nan 0.000 0.485 73 G N -2.089 106.492 108.800 -0.365 0.000 2.432 73 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.219 73 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.219 73 G C 0.861 175.438 174.900 -0.538 0.000 1.135 73 G CA 0.904 45.650 45.100 -0.590 0.000 0.767 73 G HN 0.513 nan 8.290 nan 0.000 0.550 74 Y N -1.966 118.206 120.300 -0.213 0.000 2.636 74 Y HA 0.517 5.067 4.550 -0.000 0.000 0.260 74 Y C 0.890 176.752 175.900 -0.063 0.000 1.177 74 Y CA -1.097 56.887 58.100 -0.194 0.000 1.209 74 Y CB 0.367 38.592 38.460 -0.391 0.000 1.166 74 Y HN 0.192 nan 8.280 nan 0.000 0.531 75 F N -2.093 117.810 119.950 -0.078 0.000 2.495 75 F HA 0.110 4.637 4.527 -0.000 0.000 0.326 75 F C 1.389 177.174 175.800 -0.026 0.000 0.815 75 F CA 0.184 58.173 58.000 -0.019 0.000 1.045 75 F CB 0.147 39.171 39.000 0.041 0.000 0.946 75 F HN -0.225 nan 8.300 nan 0.000 0.683 76 I N 1.357 122.010 120.570 0.139 0.000 2.272 76 I HA -0.136 4.033 4.170 -0.000 0.000 0.235 76 I C 2.368 178.425 176.117 -0.099 0.000 1.071 76 I CA 0.957 62.298 61.300 0.068 0.000 1.374 76 I CB -1.354 36.771 38.000 0.209 0.000 1.121 76 I HN 0.046 nan 8.210 nan 0.000 0.420 77 I N 1.453 121.870 120.570 -0.256 0.000 2.300 77 I HA -0.196 3.974 4.170 -0.000 0.000 0.252 77 I C -0.147 175.878 176.117 -0.153 0.000 1.119 77 I CA 1.756 62.900 61.300 -0.260 0.000 1.384 77 I CB -2.693 35.057 38.000 -0.416 0.000 1.062 77 I HN 0.154 nan 8.210 nan 0.000 0.426 78 P HA -0.130 nan 4.420 nan 0.000 0.214 78 P C 2.294 179.554 177.300 -0.066 0.000 1.163 78 P CA 1.456 64.504 63.100 -0.088 0.000 0.883 78 P CB 0.102 31.742 31.700 -0.100 0.000 0.788 79 I N -0.735 119.761 120.570 -0.122 0.000 2.179 79 I HA -0.164 4.006 4.170 -0.000 0.000 0.242 79 I C -0.596 175.556 176.117 0.057 0.000 1.088 79 I CA 1.845 63.120 61.300 -0.043 0.000 1.357 79 I CB -1.741 36.175 38.000 -0.140 0.000 1.051 79 I HN 0.015 nan 8.210 nan 0.000 0.409 80 P HA -0.194 nan 4.420 nan 0.000 0.215 80 P C 1.505 178.826 177.300 0.034 0.000 1.157 80 P CA 1.930 65.033 63.100 0.005 0.000 0.868 80 P CB -0.064 31.623 31.700 -0.021 0.000 0.788 81 A N 0.019 122.842 122.820 0.004 0.000 1.873 81 A HA -0.175 4.145 4.320 -0.000 0.000 0.218 81 A C 2.555 180.153 177.584 0.023 0.000 1.193 81 A CA 2.432 54.468 52.037 -0.001 0.000 0.629 81 A CB -2.016 16.970 19.000 -0.024 0.000 0.826 81 A HN 0.284 nan 8.150 nan 0.000 0.447 82 G N -0.288 108.557 108.800 0.075 0.000 2.442 82 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.219 82 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.219 82 G C 1.517 176.462 174.900 0.075 0.000 1.141 82 G CA 1.143 46.289 45.100 0.076 0.000 0.763 82 G HN 0.512 nan 8.290 nan 0.000 0.554 83 I N 0.340 121.084 120.570 0.290 0.000 2.179 83 I HA -0.112 4.058 4.170 -0.000 0.000 0.242 83 I C 2.627 178.799 176.117 0.092 0.000 1.088 83 I CA 0.441 61.926 61.300 0.307 0.000 1.357 83 I CB -0.264 37.883 38.000 0.245 0.000 1.051 83 I HN 0.107 nan 8.210 nan 0.000 0.409 84 L N 0.917 122.165 121.223 0.041 0.000 2.043 84 L HA -0.262 4.078 4.340 -0.000 0.000 0.212 84 L C 2.426 179.263 176.870 -0.055 0.000 1.075 84 L CA 2.239 57.075 54.840 -0.007 0.000 0.752 84 L CB -0.545 41.506 42.059 -0.014 0.000 0.891 84 L HN 0.299 nan 8.230 nan 0.000 0.432 85 M N -0.644 118.893 119.600 -0.104 0.000 2.123 85 M HA -0.195 4.284 4.480 -0.000 0.000 0.263 85 M C 2.144 178.291 176.300 -0.255 0.000 1.069 85 M CA 1.458 56.631 55.300 -0.213 0.000 1.133 85 M CB -0.469 31.966 32.600 -0.274 0.000 1.356 85 M HN 0.040 nan 8.290 nan 0.000 0.415 86 K N 1.119 121.349 120.400 -0.283 0.000 2.074 86 K HA -0.135 4.185 4.320 -0.000 0.000 0.209 86 K C 1.684 178.281 176.600 -0.005 0.000 1.048 86 K CA 1.749 57.871 56.287 -0.275 0.000 0.926 86 K CB -0.087 32.182 32.500 -0.383 0.000 0.713 86 K HN 0.217 nan 8.250 nan 0.000 0.444 87 K N -0.864 119.556 120.400 0.033 0.000 2.137 87 K HA 0.078 4.398 4.320 -0.000 0.000 0.202 87 K C 1.684 178.318 176.600 0.056 0.000 1.052 87 K CA 0.809 57.134 56.287 0.063 0.000 0.961 87 K CB 0.121 32.632 32.500 0.019 0.000 0.741 87 K HN 0.045 nan 8.250 nan 0.000 0.452 88 L N -0.732 120.507 121.223 0.026 0.000 2.814 88 L HA 0.127 4.467 4.340 -0.000 0.000 0.183 88 L C 0.856 177.740 176.870 0.023 0.000 1.362 88 L CA -0.028 54.821 54.840 0.015 0.000 1.674 88 L CB 0.109 42.146 42.059 -0.036 0.000 1.673 88 L HN 0.114 nan 8.230 nan 0.000 0.869 89 S N -3.635 112.006 115.700 -0.098 0.000 2.694 89 S HA 0.245 4.715 4.470 -0.000 0.000 0.273 89 S C 0.150 174.572 174.600 -0.296 0.000 1.180 89 S CA -0.705 57.373 58.200 -0.203 0.000 0.864 89 S CB 0.144 63.293 63.200 -0.085 0.000 1.198 89 S HN 0.219 nan 8.310 nan 0.000 0.499 90 Y N 1.988 122.114 120.300 -0.290 0.000 2.163 90 Y HA 0.005 4.555 4.550 -0.000 0.000 0.288 90 Y C 2.650 178.159 175.900 -0.652 0.000 1.136 90 Y CA 1.812 59.592 58.100 -0.534 0.000 1.147 90 Y CB -0.519 37.393 38.460 -0.913 0.000 0.987 90 Y HN 0.838 nan 8.280 nan 0.000 0.509 91 K N 0.321 120.439 120.400 -0.469 0.000 2.103 91 K HA -0.127 4.193 4.320 -0.000 0.000 0.207 91 K C 2.276 178.765 176.600 -0.184 0.000 1.048 91 K CA 1.362 57.441 56.287 -0.348 0.000 0.930 91 K CB -0.720 31.688 32.500 -0.153 0.000 0.716 91 K HN 0.170 nan 8.250 nan 0.000 0.444 92 A N 1.915 124.649 122.820 -0.143 0.000 1.865 92 A HA -0.084 4.236 4.320 -0.000 0.000 0.217 92 A C 2.637 180.161 177.584 -0.100 0.000 1.191 92 A CA 1.994 53.971 52.037 -0.100 0.000 0.623 92 A CB -1.671 17.278 19.000 -0.085 0.000 0.826 92 A HN 0.538 nan 8.150 nan 0.000 0.444 93 G N -0.235 108.491 108.800 -0.123 0.000 2.440 93 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.218 93 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.218 93 G C 1.552 176.390 174.900 -0.103 0.000 1.154 93 G CA 1.158 46.198 45.100 -0.099 0.000 0.767 93 G HN 0.479 nan 8.290 nan 0.000 0.552 94 I N 0.644 121.119 120.570 -0.158 0.000 2.179 94 I HA -0.158 4.012 4.170 -0.000 0.000 0.242 94 I C 2.624 178.679 176.117 -0.104 0.000 1.088 94 I CA 0.565 61.766 61.300 -0.165 0.000 1.357 94 I CB -0.153 37.713 38.000 -0.224 0.000 1.051 94 I HN 0.079 nan 8.210 nan 0.000 0.409 95 I N 0.683 121.209 120.570 -0.073 0.000 2.099 95 I HA -0.333 3.836 4.170 -0.000 0.000 0.239 95 I C 2.909 179.055 176.117 0.048 0.000 1.066 95 I CA 2.487 63.778 61.300 -0.015 0.000 1.324 95 I CB -1.683 36.300 38.000 -0.030 0.000 1.037 95 I HN 0.384 nan 8.210 nan 0.000 0.401 96 T N -0.066 114.510 114.554 0.037 0.000 2.788 96 T HA -0.102 4.248 4.350 -0.000 0.000 0.268 96 T C 2.021 176.827 174.700 0.176 0.000 1.044 96 T CA 1.695 63.886 62.100 0.152 0.000 1.139 96 T CB -0.786 68.139 68.868 0.095 0.000 0.867 96 T HN 0.387 nan 8.240 nan 0.000 0.454 97 G N 1.339 110.164 108.800 0.042 0.000 2.446 97 G HA2 -0.078 3.882 3.960 -0.000 0.000 0.217 97 G HA3 -0.078 3.882 3.960 -0.000 0.000 0.217 97 G C 1.614 176.520 174.900 0.009 0.000 1.168 97 G CA 0.845 45.938 45.100 -0.011 0.000 0.771 97 G HN 0.539 nan 8.290 nan 0.000 0.551 98 L N -0.626 120.590 121.223 -0.012 0.000 2.131 98 L HA 0.005 4.345 4.340 -0.000 0.000 0.210 98 L C 2.527 179.492 176.870 0.159 0.000 1.092 98 L CA 0.923 55.782 54.840 0.032 0.000 0.759 98 L CB -0.269 41.790 42.059 -0.001 0.000 0.903 98 L HN 0.321 nan 8.230 nan 0.000 0.435 99 F N 0.220 120.184 119.950 0.023 0.000 2.128 99 F HA -0.178 4.349 4.527 -0.000 0.000 0.295 99 F C 2.036 177.857 175.800 0.036 0.000 1.100 99 F CA 1.391 59.407 58.000 0.026 0.000 1.260 99 F CB -0.307 38.694 39.000 0.000 0.000 1.009 99 F HN -0.147 nan 8.300 nan 0.000 0.476 100 L N -0.668 120.414 121.223 -0.235 0.000 2.012 100 L HA -0.246 4.093 4.340 -0.000 0.000 0.210 100 L C 2.372 179.111 176.870 -0.218 0.000 1.073 100 L CA 2.029 56.669 54.840 -0.333 0.000 0.748 100 L CB -1.176 40.830 42.059 -0.088 0.000 0.891 100 L HN 0.275 nan 8.230 nan 0.000 0.431 101 Y N 0.137 120.352 120.300 -0.141 0.000 2.097 101 Y HA -0.357 4.193 4.550 -0.000 0.000 0.282 101 Y C 2.455 178.285 175.900 -0.117 0.000 1.152 101 Y CA 1.739 59.806 58.100 -0.056 0.000 1.136 101 Y CB -0.357 38.182 38.460 0.131 0.000 0.975 101 Y HN 0.139 nan 8.280 nan 0.000 0.498 102 A N -0.106 122.760 122.820 0.077 0.000 1.933 102 A HA -0.192 4.128 4.320 -0.000 0.000 0.218 102 A C 2.156 179.614 177.584 -0.209 0.000 1.175 102 A CA 1.695 53.722 52.037 -0.017 0.000 0.628 102 A CB -1.241 17.803 19.000 0.074 0.000 0.814 102 A HN 0.584 nan 8.150 nan 0.000 0.444 103 L N 0.230 121.260 121.223 -0.321 0.000 1.989 103 L HA -0.057 4.283 4.340 -0.000 0.000 0.211 103 L C 2.363 178.986 176.870 -0.412 0.000 1.071 103 L CA 2.637 57.251 54.840 -0.378 0.000 0.749 103 L CB -1.237 40.494 42.059 -0.547 0.000 0.890 103 L HN 0.273 nan 8.230 nan 0.000 0.431 104 G N -1.217 107.303 108.800 -0.467 0.000 2.422 104 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.218 104 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.218 104 G C 1.573 175.869 174.900 -1.007 0.000 1.146 104 G CA 0.823 45.560 45.100 -0.604 0.000 0.769 104 G HN 0.689 nan 8.290 nan 0.000 0.547 105 A N 1.049 123.373 122.820 -0.827 0.000 1.930 105 A HA 0.359 4.679 4.320 -0.000 0.000 0.217 105 A C 2.764 180.065 177.584 -0.472 0.000 1.175 105 A CA 1.968 53.552 52.037 -0.755 0.000 0.627 105 A CB -0.617 18.127 19.000 -0.426 0.000 0.815 105 A HN 0.723 nan 8.150 nan 0.000 0.443 106 A N -0.610 122.001 122.820 -0.347 0.000 1.969 106 A HA 0.017 4.337 4.320 -0.000 0.000 0.218 106 A C 1.877 179.305 177.584 -0.260 0.000 1.169 106 A CA 1.410 53.325 52.037 -0.203 0.000 0.635 106 A CB -0.412 18.477 19.000 -0.186 0.000 0.810 106 A HN 0.367 nan 8.150 nan 0.000 0.445 107 L N -1.034 119.938 121.223 -0.419 0.000 2.191 107 L HA -0.104 4.236 4.340 -0.000 0.000 0.212 107 L C 2.143 178.900 176.870 -0.189 0.000 1.103 107 L CA 1.304 55.943 54.840 -0.334 0.000 0.769 107 L CB -1.602 40.225 42.059 -0.388 0.000 0.908 107 L HN 0.371 nan 8.230 nan 0.000 0.438 108 F N -1.049 118.754 119.950 -0.245 0.000 2.014 108 F HA -0.269 4.258 4.527 -0.000 0.000 0.295 108 F C 2.290 178.111 175.800 0.036 0.000 1.145 108 F CA 1.007 58.800 58.000 -0.345 0.000 1.178 108 F CB -1.852 36.780 39.000 -0.614 0.000 0.972 108 F HN 0.243 nan 8.300 nan 0.000 0.476 109 W N 3.175 124.521 121.300 0.075 0.000 2.269 109 W HA -0.267 4.393 4.660 -0.000 0.000 0.336 109 W C -1.156 175.421 176.519 0.097 0.000 1.333 109 W CA 2.524 59.914 57.345 0.076 0.000 1.299 109 W CB -2.487 26.989 29.460 0.027 0.000 1.126 109 W HN 0.049 nan 8.180 nan 0.000 0.474 110 P HA -0.094 nan 4.420 nan 0.000 0.216 110 P C 1.964 179.404 177.300 0.234 0.000 1.153 110 P CA 3.447 66.667 63.100 0.200 0.000 0.848 110 P CB -0.590 31.071 31.700 -0.064 0.000 0.787 111 A N 0.143 123.093 122.820 0.217 0.000 1.908 111 A HA -0.167 4.152 4.320 -0.000 0.000 0.218 111 A C 2.338 180.086 177.584 0.273 0.000 1.181 111 A CA 2.366 54.543 52.037 0.232 0.000 0.627 111 A CB -1.656 17.509 19.000 0.274 0.000 0.818 111 A HN 0.200 nan 8.150 nan 0.000 0.445 112 A N 0.821 123.857 122.820 0.361 0.000 1.845 112 A HA -0.195 4.125 4.320 -0.000 0.000 0.215 112 A C 1.938 179.678 177.584 0.259 0.000 1.195 112 A CA 1.875 54.102 52.037 0.317 0.000 0.616 112 A CB -0.834 18.441 19.000 0.459 0.000 0.832 112 A HN 0.789 nan 8.150 nan 0.000 0.443 113 E N 0.333 120.692 120.200 0.266 0.000 2.401 113 E HA -0.120 4.230 4.350 -0.000 0.000 0.199 113 E C 1.406 178.209 176.600 0.338 0.000 1.023 113 E CA 1.448 57.994 56.400 0.243 0.000 0.859 113 E CB -0.465 29.438 29.700 0.338 0.000 0.780 113 E HN 0.824 nan 8.360 nan 0.000 0.523 114 I N -4.157 116.579 120.570 0.276 0.000 4.338 114 I HA 0.266 4.436 4.170 -0.000 0.000 0.329 114 I C 0.485 176.733 176.117 0.219 0.000 1.378 114 I CA -0.669 60.767 61.300 0.227 0.000 1.170 114 I CB 0.512 38.614 38.000 0.171 0.000 1.206 114 I HN -0.075 nan 8.210 nan 0.000 0.432 115 M N 2.240 121.998 119.600 0.263 0.000 2.653 115 M HA -0.192 4.288 4.480 -0.000 0.000 0.203 115 M C -0.419 176.013 176.300 0.220 0.000 0.502 115 M CA 0.573 56.044 55.300 0.286 0.000 0.601 115 M CB -1.884 30.898 32.600 0.303 0.000 2.228 115 M HN 0.626 nan 8.290 nan 0.000 0.711 116 N N 0.559 119.374 118.700 0.191 0.000 2.469 116 N HA 0.122 4.862 4.740 -0.000 0.000 0.239 116 N C 0.250 175.874 175.510 0.190 0.000 1.053 116 N CA -0.018 53.137 53.050 0.175 0.000 0.937 116 N CB 0.408 38.974 38.487 0.132 0.000 1.163 116 N HN 0.415 nan 8.380 nan 0.000 0.509 117 Y N 3.986 124.335 120.300 0.081 0.000 2.114 117 Y HA -0.199 4.351 4.550 -0.000 0.000 0.284 117 Y C 1.831 177.810 175.900 0.132 0.000 1.143 117 Y CA 2.135 60.272 58.100 0.063 0.000 1.135 117 Y CB -0.492 37.984 38.460 0.028 0.000 0.980 117 Y HN 0.442 nan 8.280 nan 0.000 0.499 118 T N 1.657 116.234 114.554 0.039 0.000 2.721 118 T HA -0.268 4.082 4.350 -0.000 0.000 0.268 118 T C 1.729 176.362 174.700 -0.111 0.000 1.038 118 T CA 1.707 63.757 62.100 -0.084 0.000 1.145 118 T CB -0.721 68.199 68.868 0.085 0.000 0.858 118 T HN 0.326 nan 8.240 nan 0.000 0.459 119 L N 0.281 121.493 121.223 -0.018 0.000 2.027 119 L HA 0.133 4.473 4.340 -0.000 0.000 0.206 119 L C 2.067 178.936 176.870 -0.002 0.000 1.074 119 L CA 1.414 56.247 54.840 -0.010 0.000 0.745 119 L CB -0.957 41.121 42.059 0.032 0.000 0.898 119 L HN 0.236 nan 8.230 nan 0.000 0.433 120 F N -0.647 119.232 119.950 -0.117 0.000 2.065 120 F HA -0.320 4.207 4.527 -0.000 0.000 0.298 120 F C 2.306 178.050 175.800 -0.094 0.000 1.112 120 F CA 2.031 59.977 58.000 -0.090 0.000 1.212 120 F CB -0.357 38.502 39.000 -0.234 0.000 0.975 120 F HN 0.162 nan 8.300 nan 0.000 0.476 121 L N -0.132 121.052 121.223 -0.064 0.000 2.042 121 L HA -0.206 4.134 4.340 -0.000 0.000 0.210 121 L C 2.206 179.117 176.870 0.069 0.000 1.076 121 L CA 1.581 56.378 54.840 -0.072 0.000 0.749 121 L CB -0.783 41.048 42.059 -0.380 0.000 0.893 121 L HN 0.093 nan 8.230 nan 0.000 0.432 122 V N -0.236 119.639 119.914 -0.065 0.000 2.261 122 V HA -0.239 3.881 4.120 -0.000 0.000 0.246 122 V C 2.585 178.659 176.094 -0.033 0.000 1.047 122 V CA 1.920 64.169 62.300 -0.086 0.000 1.015 122 V CB -1.640 30.107 31.823 -0.128 0.000 0.642 122 V HN 0.622 nan 8.190 nan 0.000 0.446 123 G N -0.531 108.196 108.800 -0.120 0.000 2.432 123 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.219 123 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.219 123 G C 1.558 176.335 174.900 -0.206 0.000 1.135 123 G CA 1.000 45.922 45.100 -0.297 0.000 0.767 123 G HN 0.403 nan 8.290 nan 0.000 0.550 124 L N -0.248 121.012 121.223 0.062 0.000 2.017 124 L HA 0.172 4.512 4.340 -0.000 0.000 0.208 124 L C 2.577 179.531 176.870 0.140 0.000 1.073 124 L CA 1.480 56.411 54.840 0.153 0.000 0.745 124 L CB -0.674 41.455 42.059 0.116 0.000 0.894 124 L HN 0.249 nan 8.230 nan 0.000 0.432 125 F N -0.600 119.375 119.950 0.041 0.000 2.126 125 F HA -0.268 4.259 4.527 -0.000 0.000 0.299 125 F C 2.310 178.252 175.800 0.237 0.000 1.096 125 F CA 1.611 59.712 58.000 0.168 0.000 1.255 125 F CB -0.345 38.622 39.000 -0.055 0.000 0.997 125 F HN 0.063 nan 8.300 nan 0.000 0.479 126 I N -0.318 120.388 120.570 0.227 0.000 2.163 126 I HA -0.303 3.867 4.170 -0.000 0.000 0.240 126 I C 2.455 178.546 176.117 -0.044 0.000 1.081 126 I CA 1.372 62.711 61.300 0.066 0.000 1.353 126 I CB -0.469 37.474 38.000 -0.096 0.000 1.054 126 I HN 0.096 nan 8.210 nan 0.000 0.407 127 I N 0.873 121.352 120.570 -0.151 0.000 2.264 127 I HA -0.327 3.842 4.170 -0.000 0.000 0.248 127 I C 2.692 178.790 176.117 -0.032 0.000 1.111 127 I CA 1.496 62.665 61.300 -0.218 0.000 1.382 127 I CB -0.077 37.680 38.000 -0.404 0.000 1.060 127 I HN 0.210 nan 8.210 nan 0.000 0.418 128 A N 0.562 123.387 122.820 0.008 0.000 1.908 128 A HA -0.228 4.091 4.320 -0.000 0.000 0.218 128 A C 2.447 179.932 177.584 -0.166 0.000 1.181 128 A CA 1.915 53.938 52.037 -0.023 0.000 0.627 128 A CB -0.987 18.024 19.000 0.019 0.000 0.818 128 A HN 0.558 nan 8.150 nan 0.000 0.445 129 A N -0.622 122.114 122.820 -0.139 0.000 1.930 129 A HA 0.182 4.502 4.320 -0.000 0.000 0.217 129 A C 2.408 179.898 177.584 -0.157 0.000 1.175 129 A CA 1.752 53.627 52.037 -0.270 0.000 0.627 129 A CB -1.343 17.547 19.000 -0.184 0.000 0.815 129 A HN 0.747 nan 8.150 nan 0.000 0.443 130 G N 0.033 108.808 108.800 -0.043 0.000 2.442 130 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.219 130 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.219 130 G C 1.547 176.457 174.900 0.016 0.000 1.141 130 G CA 1.099 46.222 45.100 0.037 0.000 0.763 130 G HN 0.434 nan 8.290 nan 0.000 0.554 131 L N 0.592 121.836 121.223 0.036 0.000 1.976 131 L HA -0.005 4.334 4.340 -0.000 0.000 0.209 131 L C 3.234 179.987 176.870 -0.196 0.000 1.071 131 L CA 1.267 56.098 54.840 -0.014 0.000 0.746 131 L CB -0.948 41.111 42.059 -0.001 0.000 0.890 131 L HN 0.325 nan 8.230 nan 0.000 0.432 132 G N -1.051 107.476 108.800 -0.455 0.000 2.442 132 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.219 132 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.219 132 G C 1.799 176.616 174.900 -0.138 0.000 1.141 132 G CA 0.911 45.788 45.100 -0.372 0.000 0.763 132 G HN 0.464 nan 8.290 nan 0.000 0.554 133 C N -0.016 119.199 119.300 -0.141 0.000 2.462 133 C HA 0.136 4.596 4.460 -0.000 0.000 0.278 133 C C 2.946 177.891 174.990 -0.075 0.000 1.253 133 C CA 0.879 59.845 59.018 -0.087 0.000 1.713 133 C CB -1.090 26.604 27.740 -0.077 0.000 2.049 133 C HN 0.426 nan 8.230 nan 0.000 0.477 134 L N 0.529 121.679 121.223 -0.123 0.000 2.046 134 L HA -0.124 4.216 4.340 -0.000 0.000 0.208 134 L C 2.902 179.711 176.870 -0.102 0.000 1.077 134 L CA 1.560 56.282 54.840 -0.197 0.000 0.747 134 L CB -0.766 41.048 42.059 -0.409 0.000 0.896 134 L HN 0.406 nan 8.230 nan 0.000 0.432 135 E N -0.462 119.740 120.200 0.004 0.000 2.023 135 E HA -0.271 4.079 4.350 -0.000 0.000 0.196 135 E C 2.195 178.895 176.600 0.167 0.000 1.003 135 E CA 2.114 58.601 56.400 0.145 0.000 0.809 135 E CB -0.385 29.511 29.700 0.326 0.000 0.755 135 E HN 0.350 nan 8.360 nan 0.000 0.449 136 T N -0.010 114.645 114.554 0.169 0.000 2.881 136 T HA -0.073 4.277 4.350 -0.000 0.000 0.270 136 T C 1.681 176.487 174.700 0.177 0.000 1.068 136 T CA 1.508 63.737 62.100 0.216 0.000 1.131 136 T CB -0.011 68.945 68.868 0.147 0.000 0.871 136 T HN 0.216 nan 8.240 nan 0.000 0.479 137 A N 0.710 123.581 122.820 0.084 0.000 1.850 137 A HA 0.536 4.856 4.320 -0.000 0.000 0.212 137 A C 2.699 180.333 177.584 0.083 0.000 1.208 137 A CA 1.323 53.400 52.037 0.068 0.000 0.609 137 A CB -1.287 17.687 19.000 -0.043 0.000 0.860 137 A HN 0.592 nan 8.150 nan 0.000 0.448 138 A N 0.318 123.156 122.820 0.031 0.000 1.930 138 A HA -0.134 4.186 4.320 -0.000 0.000 0.217 138 A C 1.903 179.567 177.584 0.134 0.000 1.175 138 A CA 1.662 53.763 52.037 0.105 0.000 0.627 138 A CB -0.603 18.416 19.000 0.032 0.000 0.815 138 A HN 0.536 nan 8.150 nan 0.000 0.443 139 N N 0.333 119.026 118.700 -0.011 0.000 2.028 139 N HA -0.098 4.642 4.740 -0.000 0.000 0.194 139 N C -0.754 174.643 175.510 -0.188 0.000 1.050 139 N CA 1.868 54.760 53.050 -0.263 0.000 0.848 139 N CB -1.681 36.226 38.487 -0.968 0.000 1.038 139 N HN 0.365 nan 8.380 nan 0.000 0.423 140 P HA -0.121 nan 4.420 nan 0.000 0.218 140 P C 1.528 178.762 177.300 -0.110 0.000 1.149 140 P CA 0.844 64.004 63.100 0.100 0.000 0.817 140 P CB -0.124 31.776 31.700 0.335 0.000 0.785 141 F N 1.621 121.330 119.950 -0.401 0.000 2.069 141 F HA -0.177 4.350 4.527 -0.000 0.000 0.298 141 F C 2.158 177.722 175.800 -0.393 0.000 1.113 141 F CA 1.235 58.819 58.000 -0.693 0.000 1.214 141 F CB -1.137 37.567 39.000 -0.493 0.000 0.978 141 F HN -0.298 nan 8.300 nan 0.000 0.474 142 V N 0.046 119.817 119.914 -0.238 0.000 2.343 142 V HA -0.296 3.824 4.120 -0.000 0.000 0.247 142 V C 2.555 178.477 176.094 -0.287 0.000 1.051 142 V CA 2.259 64.403 62.300 -0.260 0.000 1.036 142 V CB -1.715 30.047 31.823 -0.103 0.000 0.654 142 V HN 0.588 nan 8.190 nan 0.000 0.451 143 T N -2.058 112.365 114.554 -0.218 0.000 2.962 143 T HA -0.070 4.279 4.350 -0.000 0.000 0.270 143 T C 1.619 176.190 174.700 -0.216 0.000 1.088 143 T CA 1.441 63.420 62.100 -0.203 0.000 1.127 143 T CB -0.141 68.654 68.868 -0.122 0.000 0.883 143 T HN 0.281 nan 8.240 nan 0.000 0.493 144 V N 0.760 120.531 119.914 -0.238 0.000 3.354 144 V HA 0.314 4.434 4.120 -0.000 0.000 0.258 144 V C 1.762 177.726 176.094 -0.217 0.000 1.159 144 V CA 0.220 62.399 62.300 -0.200 0.000 1.125 144 V CB -0.417 31.296 31.823 -0.182 0.000 0.774 144 V HN 0.492 nan 8.190 nan 0.000 0.464 145 L N 2.086 123.106 121.223 -0.337 0.000 2.869 145 L HA 0.365 4.705 4.340 -0.000 0.000 0.240 145 L C 0.643 177.460 176.870 -0.089 0.000 1.448 145 L CA 0.871 55.547 54.840 -0.272 0.000 1.158 145 L CB -1.332 40.463 42.059 -0.440 0.000 1.497 145 L HN 0.501 nan 8.230 nan 0.000 0.447 146 G N 1.092 109.861 108.800 -0.052 0.000 2.357 146 G HA2 -0.040 3.920 3.960 -0.000 0.000 0.289 146 G HA3 -0.040 3.920 3.960 -0.000 0.000 0.289 146 G C -3.071 171.629 174.900 -0.335 0.000 1.302 146 G CA -1.156 43.761 45.100 -0.305 0.000 0.936 146 G HN 0.116 nan 8.290 nan 0.000 0.513 147 P HA 0.182 nan 4.420 nan 0.000 0.267 147 P C 0.647 177.829 177.300 -0.196 0.000 1.195 147 P CA 0.327 63.271 63.100 -0.259 0.000 0.773 147 P CB 0.739 32.298 31.700 -0.235 0.000 0.837 148 E N 1.565 121.674 120.200 -0.151 0.000 2.150 148 E HA -0.152 4.198 4.350 -0.000 0.000 0.193 148 E C 1.575 178.094 176.600 -0.135 0.000 0.985 148 E CA 1.884 58.204 56.400 -0.132 0.000 0.814 148 E CB -0.493 29.154 29.700 -0.088 0.000 0.752 148 E HN 0.437 nan 8.360 nan 0.000 0.466 149 S N -0.464 115.179 115.700 -0.096 0.000 2.368 149 S HA -0.126 4.344 4.470 -0.000 0.000 0.224 149 S C 1.974 176.561 174.600 -0.022 0.000 1.029 149 S CA 1.067 59.249 58.200 -0.031 0.000 0.988 149 S CB -0.516 62.660 63.200 -0.040 0.000 0.838 149 S HN 0.261 nan 8.310 nan 0.000 0.462 150 S N 1.601 117.246 115.700 -0.092 0.000 2.650 150 S HA 0.299 4.769 4.470 -0.000 0.000 0.219 150 S C 1.810 176.350 174.600 -0.099 0.000 0.960 150 S CA 0.199 58.363 58.200 -0.060 0.000 0.925 150 S CB -0.531 62.601 63.200 -0.113 0.000 0.775 150 S HN 0.630 nan 8.310 nan 0.000 0.525 151 G N 2.696 111.348 108.800 -0.247 0.000 2.476 151 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.218 151 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.218 151 G C 1.351 176.097 174.900 -0.256 0.000 1.164 151 G CA 0.921 45.826 45.100 -0.325 0.000 0.768 151 G HN 0.619 nan 8.290 nan 0.000 0.560 152 H N -0.658 118.424 119.070 0.020 0.000 2.326 152 H HA -0.041 4.515 4.556 -0.000 0.000 0.301 152 H C 2.331 177.679 175.328 0.035 0.000 1.081 152 H CA 1.189 57.259 56.048 0.036 0.000 1.334 152 H CB -0.681 29.111 29.762 0.050 0.000 1.385 152 H HN 0.437 nan 8.280 nan 0.000 0.504 153 F N 2.433 122.409 119.950 0.043 0.000 2.134 153 F HA -0.122 4.405 4.527 -0.000 0.000 0.299 153 F C 2.656 178.451 175.800 -0.008 0.000 1.097 153 F CA 1.029 59.025 58.000 -0.007 0.000 1.264 153 F CB -0.083 38.892 39.000 -0.042 0.000 1.001 153 F HN -0.145 nan 8.300 nan 0.000 0.479 154 R N -0.004 120.477 120.500 -0.033 0.000 2.097 154 R HA -0.214 4.126 4.340 -0.000 0.000 0.236 154 R C 2.175 178.414 176.300 -0.102 0.000 1.135 154 R CA 1.920 57.912 56.100 -0.180 0.000 0.934 154 R CB -1.171 28.879 30.300 -0.416 0.000 0.846 154 R HN 0.347 nan 8.270 nan 0.000 0.431 155 L N 1.855 123.009 121.223 -0.115 0.000 2.042 155 L HA -0.204 4.135 4.340 -0.000 0.000 0.210 155 L C 1.683 178.497 176.870 -0.094 0.000 1.076 155 L CA 1.796 56.577 54.840 -0.100 0.000 0.749 155 L CB -0.840 41.182 42.059 -0.062 0.000 0.893 155 L HN 0.200 nan 8.230 nan 0.000 0.432 156 N N -0.502 118.133 118.700 -0.108 0.000 2.084 156 N HA -0.200 4.540 4.740 -0.000 0.000 0.190 156 N C 1.830 177.229 175.510 -0.184 0.000 1.030 156 N CA 1.738 54.716 53.050 -0.119 0.000 0.849 156 N CB -0.316 38.088 38.487 -0.138 0.000 1.012 156 N HN 0.317 nan 8.380 nan 0.000 0.423 157 L N 1.589 122.602 121.223 -0.350 0.000 2.017 157 L HA -0.037 4.303 4.340 -0.000 0.000 0.208 157 L C 2.244 179.095 176.870 -0.031 0.000 1.073 157 L CA 1.626 56.279 54.840 -0.313 0.000 0.745 157 L CB -1.091 40.676 42.059 -0.487 0.000 0.894 157 L HN 0.082 nan 8.230 nan 0.000 0.432 158 A N -1.154 121.628 122.820 -0.063 0.000 1.940 158 A HA -0.230 4.090 4.320 -0.000 0.000 0.219 158 A C 2.158 179.667 177.584 -0.124 0.000 1.176 158 A CA 1.663 53.553 52.037 -0.245 0.000 0.631 158 A CB -0.578 17.963 19.000 -0.765 0.000 0.814 158 A HN 0.618 nan 8.150 nan 0.000 0.446 159 Q N -0.468 119.317 119.800 -0.024 0.000 2.224 159 Q HA -0.101 4.239 4.340 -0.000 0.000 0.203 159 Q C 2.146 178.334 176.000 0.314 0.000 0.970 159 Q CA 1.833 57.779 55.803 0.238 0.000 0.865 159 Q CB -0.780 28.091 28.738 0.222 0.000 0.922 159 Q HN 0.744 nan 8.270 nan 0.000 0.445 160 T N 0.514 115.176 114.554 0.181 0.000 2.737 160 T HA -0.087 4.263 4.350 -0.000 0.000 0.265 160 T C 1.569 176.489 174.700 0.368 0.000 1.038 160 T CA 0.986 63.208 62.100 0.204 0.000 1.144 160 T CB -0.369 68.444 68.868 -0.092 0.000 0.866 160 T HN 0.145 nan 8.240 nan 0.000 0.434 161 F N 1.847 122.031 119.950 0.390 0.000 2.171 161 F HA -0.037 4.490 4.527 -0.000 0.000 0.300 161 F C 2.332 178.481 175.800 0.582 0.000 1.090 161 F CA 0.683 58.997 58.000 0.523 0.000 1.293 161 F CB -0.799 38.424 39.000 0.372 0.000 1.013 161 F HN 0.229 nan 8.300 nan 0.000 0.486 162 N N -0.179 118.950 118.700 0.715 0.000 2.007 162 N HA -0.229 4.511 4.740 -0.000 0.000 0.197 162 N C 2.027 177.788 175.510 0.418 0.000 1.050 162 N CA 1.726 55.123 53.050 0.579 0.000 0.856 162 N CB -0.148 38.727 38.487 0.645 0.000 1.050 162 N HN 0.087 nan 8.380 nan 0.000 0.423 163 S N 0.064 116.052 115.700 0.481 0.000 2.365 163 S HA -0.175 4.295 4.470 -0.000 0.000 0.225 163 S C 1.612 176.371 174.600 0.265 0.000 1.039 163 S CA 1.099 59.577 58.200 0.462 0.000 1.033 163 S CB -0.593 63.050 63.200 0.737 0.000 0.887 163 S HN 0.413 nan 8.310 nan 0.000 0.447 164 F N 2.564 122.564 119.950 0.083 0.000 2.134 164 F HA 0.018 4.545 4.527 -0.000 0.000 0.299 164 F C 2.318 178.157 175.800 0.065 0.000 1.097 164 F CA 1.040 58.900 58.000 -0.233 0.000 1.264 164 F CB -1.291 37.734 39.000 0.042 0.000 1.001 164 F HN 0.202 nan 8.300 nan 0.000 0.479 165 G N -0.292 108.560 108.800 0.087 0.000 2.422 165 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.218 165 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.218 165 G C 1.866 176.546 174.900 -0.366 0.000 1.146 165 G CA 0.978 45.749 45.100 -0.549 0.000 0.769 165 G HN 0.605 nan 8.290 nan 0.000 0.547 166 A N 0.849 123.573 122.820 -0.160 0.000 1.933 166 A HA 0.044 4.364 4.320 -0.000 0.000 0.218 166 A C 2.336 179.824 177.584 -0.160 0.000 1.175 166 A CA 1.224 53.174 52.037 -0.145 0.000 0.628 166 A CB -0.259 18.708 19.000 -0.055 0.000 0.814 166 A HN 0.271 nan 8.150 nan 0.000 0.444 167 I N 0.390 120.867 120.570 -0.154 0.000 2.127 167 I HA -0.236 3.933 4.170 -0.000 0.000 0.241 167 I C 2.419 178.407 176.117 -0.215 0.000 1.075 167 I CA 1.280 62.478 61.300 -0.170 0.000 1.334 167 I CB -1.136 36.745 38.000 -0.199 0.000 1.040 167 I HN 0.214 nan 8.210 nan 0.000 0.405 168 I N 1.094 121.488 120.570 -0.294 0.000 2.099 168 I HA -0.257 3.913 4.170 -0.000 0.000 0.239 168 I C 2.844 178.804 176.117 -0.262 0.000 1.066 168 I CA 1.688 62.766 61.300 -0.369 0.000 1.324 168 I CB -1.762 36.010 38.000 -0.380 0.000 1.037 168 I HN 0.138 nan 8.210 nan 0.000 0.401 169 A N 0.870 123.546 122.820 -0.239 0.000 1.869 169 A HA -0.222 4.098 4.320 -0.000 0.000 0.218 169 A C 2.535 180.053 177.584 -0.109 0.000 1.203 169 A CA 2.718 54.655 52.037 -0.166 0.000 0.638 169 A CB -1.263 17.616 19.000 -0.201 0.000 0.831 169 A HN 0.262 nan 8.150 nan 0.000 0.450 170 V N -0.469 119.372 119.914 -0.122 0.000 2.317 170 V HA -0.289 3.831 4.120 -0.000 0.000 0.251 170 V C 2.432 178.492 176.094 -0.056 0.000 1.065 170 V CA 2.121 64.368 62.300 -0.088 0.000 1.049 170 V CB -1.095 30.668 31.823 -0.100 0.000 0.651 170 V HN 0.405 nan 8.190 nan 0.000 0.450 171 V N -1.110 118.754 119.914 -0.083 0.000 2.283 171 V HA -0.100 4.020 4.120 -0.000 0.000 0.222 171 V C 2.020 178.200 176.094 0.144 0.000 1.035 171 V CA 1.617 63.900 62.300 -0.028 0.000 1.028 171 V CB -0.848 30.858 31.823 -0.194 0.000 0.659 171 V HN 0.360 nan 8.190 nan 0.000 0.468 172 F N 1.533 121.464 119.950 -0.030 0.000 2.449 172 F HA -0.024 4.503 4.527 -0.000 0.000 0.299 172 F C 2.002 177.782 175.800 -0.034 0.000 1.092 172 F CA 1.099 59.084 58.000 -0.025 0.000 1.446 172 F CB -1.615 37.374 39.000 -0.019 0.000 1.084 172 F HN 0.306 nan 8.300 nan 0.000 0.567 173 G N -1.305 107.570 108.800 0.125 0.000 2.763 173 G HA2 -0.076 3.884 3.960 -0.000 0.000 0.205 173 G HA3 -0.076 3.884 3.960 -0.000 0.000 0.205 173 G C 1.407 176.321 174.900 0.023 0.000 1.137 173 G CA 0.349 45.476 45.100 0.046 0.000 0.839 173 G HN 0.315 nan 8.290 nan 0.000 0.596 174 Q N 1.282 121.088 119.800 0.010 0.000 2.061 174 Q HA -0.154 4.186 4.340 -0.000 0.000 0.204 174 Q C 2.719 178.730 176.000 0.019 0.000 0.984 174 Q CA 2.598 58.402 55.803 0.001 0.000 0.846 174 Q CB -0.187 28.543 28.738 -0.015 0.000 0.902 174 Q HN 0.529 nan 8.270 nan 0.000 0.421 175 S N 0.522 116.242 115.700 0.032 0.000 2.348 175 S HA -0.099 4.371 4.470 -0.000 0.000 0.221 175 S C 1.577 176.197 174.600 0.032 0.000 1.033 175 S CA 0.824 59.045 58.200 0.036 0.000 1.010 175 S CB -0.351 62.875 63.200 0.043 0.000 0.891 175 S HN 0.395 nan 8.310 nan 0.000 0.442 176 L N 1.065 122.307 121.223 0.032 0.000 2.747 176 L HA 0.442 4.782 4.340 -0.000 0.000 0.248 176 L C 1.117 177.996 176.870 0.014 0.000 1.191 176 L CA 0.759 55.609 54.840 0.016 0.000 1.003 176 L CB -0.995 41.068 42.059 0.007 0.000 1.235 176 L HN 0.483 nan 8.230 nan 0.000 0.426 177 I N -2.084 118.498 120.570 0.019 0.000 5.183 177 I HA -0.021 4.149 4.170 -0.000 0.000 0.343 177 I C 1.448 177.578 176.117 0.023 0.000 1.230 177 I CA 0.198 61.507 61.300 0.015 0.000 1.473 177 I CB 0.733 38.739 38.000 0.010 0.000 1.569 177 I HN 0.048 nan 8.210 nan 0.000 0.544 178 L N 0.348 121.591 121.223 0.034 0.000 2.591 178 L HA 0.149 4.488 4.340 -0.000 0.000 0.228 178 L C 1.309 178.258 176.870 0.133 0.000 1.133 178 L CA 0.411 55.283 54.840 0.054 0.000 0.880 178 L CB -0.004 42.075 42.059 0.032 0.000 1.033 178 L HN 0.050 nan 8.230 nan 0.000 0.450 179 S N -0.323 115.429 115.700 0.088 0.000 2.597 179 S HA 0.152 4.622 4.470 -0.000 0.000 0.224 179 S C 1.138 175.765 174.600 0.045 0.000 0.955 179 S CA -0.085 58.160 58.200 0.074 0.000 0.933 179 S CB -0.065 63.154 63.200 0.031 0.000 0.788 179 S HN 0.479 nan 8.310 nan 0.000 0.488 180 N N 0.295 119.024 118.700 0.049 0.000 2.168 180 N HA 0.121 4.861 4.740 -0.000 0.000 0.216 180 N C -0.330 175.194 175.510 0.025 0.000 1.259 180 N CA 0.161 53.224 53.050 0.021 0.000 0.902 180 N CB 1.022 39.509 38.487 -0.000 0.000 1.079 180 N HN 0.120 nan 8.380 nan 0.000 0.507 181 V N 4.529 124.474 119.914 0.053 0.000 2.583 181 V HA 0.211 4.331 4.120 -0.000 0.000 0.287 181 V C -1.993 174.183 176.094 0.137 0.000 1.051 181 V CA -1.297 61.022 62.300 0.032 0.000 1.010 181 V CB 1.203 33.017 31.823 -0.014 0.000 0.988 181 V HN 0.034 nan 8.190 nan 0.000 0.478 182 P HA 0.095 nan 4.420 nan 0.000 0.264 182 P C -0.258 177.229 177.300 0.311 0.000 1.229 182 P CA 0.210 63.433 63.100 0.205 0.000 0.780 182 P CB 0.003 31.804 31.700 0.168 0.000 0.808 183 H N 3.066 122.201 119.070 0.107 0.000 2.652 183 H HA 0.271 4.827 4.556 -0.000 0.000 0.349 183 H C 0.431 175.807 175.328 0.080 0.000 1.099 183 H CA -0.238 55.862 56.048 0.087 0.000 1.417 183 H CB 0.981 30.767 29.762 0.040 0.000 1.457 183 H HN 0.386 nan 8.280 nan 0.000 0.568 184 Q N 1.901 121.783 119.800 0.136 0.000 2.280 184 Q HA 0.104 4.444 4.340 -0.000 0.000 0.259 184 Q C -0.741 175.239 176.000 -0.034 0.000 0.964 184 Q CA -0.634 55.155 55.803 -0.024 0.000 0.844 184 Q CB 2.260 30.823 28.738 -0.293 0.000 1.334 184 Q HN 0.815 nan 8.270 nan 0.000 0.423 185 S N 1.158 116.837 115.700 -0.035 0.000 2.525 185 S HA -0.025 4.445 4.470 -0.000 0.000 0.285 185 S C 1.077 175.640 174.600 -0.061 0.000 1.283 185 S CA -0.133 58.048 58.200 -0.032 0.000 1.072 185 S CB 1.246 64.431 63.200 -0.025 0.000 0.867 185 S HN 0.617 nan 8.310 nan 0.000 0.492 186 Q N 1.750 121.525 119.800 -0.042 0.000 2.248 186 Q HA -0.205 4.135 4.340 -0.000 0.000 0.208 186 Q C 1.384 177.350 176.000 -0.057 0.000 0.984 186 Q CA 2.216 57.990 55.803 -0.048 0.000 0.875 186 Q CB -0.425 28.299 28.738 -0.024 0.000 0.910 186 Q HN 0.934 nan 8.270 nan 0.000 0.433 187 D N -1.543 118.828 120.400 -0.048 0.000 2.117 187 D HA -0.117 4.523 4.640 -0.000 0.000 0.198 187 D C 1.626 177.888 176.300 -0.063 0.000 0.982 187 D CA 1.222 55.194 54.000 -0.046 0.000 0.828 187 D CB -0.004 40.776 40.800 -0.033 0.000 0.967 187 D HN 0.185 nan 8.370 nan 0.000 0.464 188 V N 0.757 120.623 119.914 -0.081 0.000 2.287 188 V HA -0.239 3.881 4.120 -0.000 0.000 0.248 188 V C 2.686 178.698 176.094 -0.137 0.000 1.053 188 V CA 1.293 63.530 62.300 -0.105 0.000 1.027 188 V CB -0.544 31.204 31.823 -0.125 0.000 0.646 188 V HN 0.341 nan 8.190 nan 0.000 0.447 189 L N -0.150 120.970 121.223 -0.173 0.000 2.042 189 L HA -0.223 4.117 4.340 -0.000 0.000 0.210 189 L C 2.418 179.223 176.870 -0.108 0.000 1.076 189 L CA 1.770 56.500 54.840 -0.183 0.000 0.749 189 L CB -0.967 40.986 42.059 -0.177 0.000 0.893 189 L HN 0.388 nan 8.230 nan 0.000 0.432 190 D N 0.441 120.794 120.400 -0.079 0.000 2.117 190 D HA -0.166 4.474 4.640 -0.000 0.000 0.197 190 D C 2.083 178.352 176.300 -0.051 0.000 0.987 190 D CA 1.312 55.280 54.000 -0.054 0.000 0.829 190 D CB -0.087 40.688 40.800 -0.041 0.000 0.961 190 D HN 0.331 nan 8.370 nan 0.000 0.460 191 K N -0.285 120.081 120.400 -0.057 0.000 2.432 191 K HA 0.098 4.418 4.320 -0.000 0.000 0.196 191 K C 0.911 177.481 176.600 -0.051 0.000 1.038 191 K CA -0.056 56.202 56.287 -0.048 0.000 0.986 191 K CB 0.169 32.642 32.500 -0.046 0.000 0.782 191 K HN 0.158 nan 8.250 nan 0.000 0.485 192 M N 1.699 121.260 119.600 -0.066 0.000 2.252 192 M HA -0.042 4.438 4.480 -0.000 0.000 0.333 192 M C 0.762 177.037 176.300 -0.043 0.000 1.111 192 M CA 0.066 55.329 55.300 -0.061 0.000 1.140 192 M CB 0.715 33.266 32.600 -0.082 0.000 1.538 192 M HN 0.047 nan 8.290 nan 0.000 0.448 193 S N 2.857 118.537 115.700 -0.033 0.000 2.589 193 S HA 0.222 4.692 4.470 -0.000 0.000 0.265 193 S C -2.053 172.533 174.600 -0.024 0.000 1.342 193 S CA -1.145 57.040 58.200 -0.025 0.000 1.005 193 S CB 0.494 63.682 63.200 -0.020 0.000 0.909 193 S HN 0.459 nan 8.310 nan 0.000 0.555 194 P HA -0.012 nan 4.420 nan 0.000 0.216 194 P C 1.129 178.419 177.300 -0.017 0.000 1.153 194 P CA 1.134 64.222 63.100 -0.019 0.000 0.848 194 P CB -0.041 31.650 31.700 -0.015 0.000 0.787 195 E N -0.064 120.127 120.200 -0.014 0.000 2.070 195 E HA -0.223 4.127 4.350 -0.000 0.000 0.197 195 E C 2.223 178.819 176.600 -0.006 0.000 1.004 195 E CA 1.407 57.799 56.400 -0.012 0.000 0.805 195 E CB -0.878 28.815 29.700 -0.011 0.000 0.744 195 E HN 0.375 nan 8.360 nan 0.000 0.451 196 Q N -0.315 119.481 119.800 -0.007 0.000 2.061 196 Q HA -0.177 4.163 4.340 -0.000 0.000 0.204 196 Q C 2.095 178.108 176.000 0.023 0.000 0.984 196 Q CA 0.919 56.724 55.803 0.003 0.000 0.846 196 Q CB -0.236 28.493 28.738 -0.015 0.000 0.902 196 Q HN 0.208 nan 8.270 nan 0.000 0.421 197 L N 1.143 122.367 121.223 0.002 0.000 2.012 197 L HA -0.183 4.157 4.340 -0.000 0.000 0.210 197 L C 2.548 179.427 176.870 0.015 0.000 1.073 197 L CA 2.424 57.271 54.840 0.011 0.000 0.748 197 L CB -1.337 40.705 42.059 -0.029 0.000 0.891 197 L HN 0.285 nan 8.230 nan 0.000 0.431 198 S N -0.477 115.217 115.700 -0.009 0.000 2.356 198 S HA -0.181 4.289 4.470 -0.000 0.000 0.223 198 S C 2.183 176.789 174.600 0.010 0.000 1.032 198 S CA 1.178 59.367 58.200 -0.018 0.000 1.005 198 S CB -0.867 62.321 63.200 -0.021 0.000 0.867 198 S HN 0.447 nan 8.310 nan 0.000 0.449 199 A N 1.149 123.983 122.820 0.024 0.000 1.883 199 A HA -0.090 4.230 4.320 -0.000 0.000 0.217 199 A C 2.110 179.741 177.584 0.077 0.000 1.186 199 A CA 1.819 53.883 52.037 0.044 0.000 0.624 199 A CB -1.455 17.569 19.000 0.040 0.000 0.822 199 A HN 0.699 nan 8.150 nan 0.000 0.444 200 Y N 0.789 121.067 120.300 -0.037 0.000 2.070 200 Y HA -0.219 4.331 4.550 -0.000 0.000 0.280 200 Y C 2.278 178.139 175.900 -0.066 0.000 1.148 200 Y CA 2.323 60.393 58.100 -0.050 0.000 1.125 200 Y CB -0.410 38.009 38.460 -0.069 0.000 0.975 200 Y HN 0.273 nan 8.280 nan 0.000 0.492 201 K N -1.004 119.283 120.400 -0.188 0.000 2.113 201 K HA -0.276 4.044 4.320 -0.000 0.000 0.208 201 K C 2.254 178.722 176.600 -0.219 0.000 1.047 201 K CA 1.689 57.750 56.287 -0.376 0.000 0.928 201 K CB -0.494 31.705 32.500 -0.502 0.000 0.716 201 K HN 0.537 nan 8.250 nan 0.000 0.446 202 H N 0.356 119.323 119.070 -0.171 0.000 2.333 202 H HA -0.063 4.493 4.556 -0.000 0.000 0.302 202 H C 2.318 177.559 175.328 -0.145 0.000 1.075 202 H CA 1.830 57.817 56.048 -0.101 0.000 1.348 202 H CB 0.202 29.935 29.762 -0.049 0.000 1.393 202 H HN 0.234 nan 8.280 nan 0.000 0.509 203 S N 0.504 116.161 115.700 -0.073 0.000 2.400 203 S HA -0.160 4.309 4.470 -0.000 0.000 0.232 203 S C 2.285 176.743 174.600 -0.238 0.000 1.025 203 S CA 1.214 59.340 58.200 -0.123 0.000 0.993 203 S CB -0.791 62.363 63.200 -0.076 0.000 0.808 203 S HN 0.401 nan 8.310 nan 0.000 0.478 204 L N 1.854 122.861 121.223 -0.361 0.000 1.988 204 L HA -0.038 4.302 4.340 -0.000 0.000 0.207 204 L C 2.704 179.359 176.870 -0.359 0.000 1.071 204 L CA 1.711 56.312 54.840 -0.398 0.000 0.744 204 L CB -0.447 41.283 42.059 -0.548 0.000 0.893 204 L HN 0.408 nan 8.230 nan 0.000 0.433 205 V N -2.956 116.736 119.914 -0.370 0.000 2.720 205 V HA -0.208 3.911 4.120 -0.000 0.000 0.256 205 V C 2.312 178.140 176.094 -0.443 0.000 1.082 205 V CA 1.100 63.131 62.300 -0.448 0.000 1.101 205 V CB -0.817 30.801 31.823 -0.341 0.000 0.693 205 V HN 0.316 nan 8.190 nan 0.000 0.479 206 L N 2.128 123.111 121.223 -0.399 0.000 2.109 206 L HA -0.018 4.322 4.340 -0.000 0.000 0.207 206 L C 2.922 179.622 176.870 -0.284 0.000 1.086 206 L CA 2.168 56.797 54.840 -0.353 0.000 0.760 206 L CB -1.245 40.666 42.059 -0.247 0.000 0.910 206 L HN 0.663 nan 8.230 nan 0.000 0.437 207 S N -0.963 114.598 115.700 -0.232 0.000 2.423 207 S HA -0.109 4.361 4.470 -0.000 0.000 0.231 207 S C 1.853 176.364 174.600 -0.148 0.000 1.014 207 S CA 1.046 59.148 58.200 -0.163 0.000 0.965 207 S CB -0.987 62.136 63.200 -0.128 0.000 0.785 207 S HN 0.330 nan 8.310 nan 0.000 0.495 208 V N -0.735 119.061 119.914 -0.196 0.000 3.052 208 V HA 0.111 4.230 4.120 -0.000 0.000 0.254 208 V C 2.133 178.201 176.094 -0.044 0.000 1.100 208 V CA 0.798 63.038 62.300 -0.101 0.000 1.112 208 V CB -0.951 30.765 31.823 -0.177 0.000 0.738 208 V HN 0.347 nan 8.190 nan 0.000 0.469 209 Q N 0.986 120.637 119.800 -0.248 0.000 2.170 209 Q HA -0.153 4.187 4.340 -0.000 0.000 0.203 209 Q C 2.390 178.278 176.000 -0.187 0.000 0.976 209 Q CA 2.172 57.757 55.803 -0.364 0.000 0.858 209 Q CB -0.291 27.854 28.738 -0.989 0.000 0.907 209 Q HN 0.847 nan 8.270 nan 0.000 0.433 210 T N 0.314 114.780 114.554 -0.146 0.000 2.737 210 T HA -0.042 4.308 4.350 -0.000 0.000 0.265 210 T C -1.094 173.647 174.700 0.067 0.000 1.038 210 T CA 0.852 62.931 62.100 -0.035 0.000 1.144 210 T CB -0.808 68.030 68.868 -0.050 0.000 0.866 210 T HN 0.053 nan 8.240 nan 0.000 0.434 211 P HA -0.032 nan 4.420 nan 0.000 0.218 211 P C 0.696 178.064 177.300 0.113 0.000 1.148 211 P CA 1.010 64.158 63.100 0.079 0.000 0.822 211 P CB -0.259 31.485 31.700 0.074 0.000 0.784 212 Y N -1.531 118.817 120.300 0.080 0.000 2.224 212 Y HA -0.159 4.391 4.550 -0.000 0.000 0.289 212 Y C 2.485 178.483 175.900 0.163 0.000 1.146 212 Y CA 1.362 59.550 58.100 0.148 0.000 1.182 212 Y CB -0.749 37.854 38.460 0.238 0.000 0.983 212 Y HN -0.114 nan 8.280 nan 0.000 0.524 213 M N -0.382 119.413 119.600 0.326 0.000 2.117 213 M HA -0.144 4.336 4.480 -0.000 0.000 0.262 213 M C 1.854 178.241 176.300 0.145 0.000 1.065 213 M CA 1.555 57.014 55.300 0.264 0.000 1.114 213 M CB -0.773 32.001 32.600 0.290 0.000 1.361 213 M HN 0.203 nan 8.290 nan 0.000 0.408 214 I N -0.184 120.447 120.570 0.102 0.000 2.118 214 I HA -0.348 3.822 4.170 -0.000 0.000 0.241 214 I C 2.202 178.333 176.117 0.023 0.000 1.070 214 I CA 1.582 62.912 61.300 0.050 0.000 1.327 214 I CB -0.610 37.405 38.000 0.025 0.000 1.034 214 I HN 0.290 nan 8.210 nan 0.000 0.405 215 I N -0.442 120.121 120.570 -0.011 0.000 2.044 215 I HA -0.373 3.797 4.170 -0.000 0.000 0.234 215 I C 2.502 178.626 176.117 0.012 0.000 1.031 215 I CA 1.767 63.033 61.300 -0.057 0.000 1.305 215 I CB -0.650 37.248 38.000 -0.171 0.000 1.026 215 I HN 0.010 nan 8.210 nan 0.000 0.392 216 V N 1.153 121.097 119.914 0.051 0.000 2.317 216 V HA -0.391 3.729 4.120 -0.000 0.000 0.251 216 V C 2.675 178.815 176.094 0.077 0.000 1.065 216 V CA 2.150 64.497 62.300 0.079 0.000 1.049 216 V CB -1.332 30.543 31.823 0.088 0.000 0.651 216 V HN 0.597 nan 8.190 nan 0.000 0.450 217 A N -0.014 122.848 122.820 0.071 0.000 1.892 217 A HA -0.234 4.086 4.320 -0.000 0.000 0.218 217 A C 2.179 179.798 177.584 0.057 0.000 1.188 217 A CA 2.334 54.410 52.037 0.064 0.000 0.631 217 A CB -0.589 18.448 19.000 0.061 0.000 0.822 217 A HN 0.535 nan 8.150 nan 0.000 0.447 218 I N -0.252 120.344 120.570 0.042 0.000 2.179 218 I HA -0.235 3.935 4.170 -0.000 0.000 0.242 218 I C 2.354 178.511 176.117 0.066 0.000 1.088 218 I CA 1.411 62.733 61.300 0.035 0.000 1.357 218 I CB -0.500 37.494 38.000 -0.011 0.000 1.051 218 I HN 0.180 nan 8.210 nan 0.000 0.409 219 V N 1.137 121.103 119.914 0.087 0.000 2.332 219 V HA -0.286 3.833 4.120 -0.000 0.000 0.248 219 V C 2.400 178.573 176.094 0.132 0.000 1.055 219 V CA 1.720 64.111 62.300 0.151 0.000 1.038 219 V CB -0.700 31.257 31.823 0.224 0.000 0.651 219 V HN 0.365 nan 8.190 nan 0.000 0.450 220 L N -0.619 120.669 121.223 0.107 0.000 1.976 220 L HA -0.184 4.156 4.340 -0.000 0.000 0.209 220 L C 2.550 179.469 176.870 0.082 0.000 1.071 220 L CA 1.717 56.614 54.840 0.095 0.000 0.746 220 L CB -0.761 41.346 42.059 0.080 0.000 0.890 220 L HN 0.378 nan 8.230 nan 0.000 0.432 221 L N -0.295 120.971 121.223 0.072 0.000 2.089 221 L HA -0.194 4.146 4.340 -0.000 0.000 0.213 221 L C 2.309 179.221 176.870 0.070 0.000 1.079 221 L CA 1.725 56.603 54.840 0.064 0.000 0.758 221 L CB -0.555 41.539 42.059 0.058 0.000 0.891 221 L HN -0.055 nan 8.230 nan 0.000 0.433 222 V N 0.265 120.229 119.914 0.082 0.000 2.295 222 V HA -0.290 3.830 4.120 -0.000 0.000 0.246 222 V C 2.884 179.025 176.094 0.077 0.000 1.049 222 V CA 1.729 64.081 62.300 0.086 0.000 1.024 222 V CB -1.423 30.463 31.823 0.105 0.000 0.648 222 V HN 0.665 nan 8.190 nan 0.000 0.447 223 A N 0.008 122.874 122.820 0.077 0.000 1.917 223 A HA -0.241 4.079 4.320 -0.000 0.000 0.219 223 A C 2.174 179.798 177.584 0.067 0.000 1.182 223 A CA 2.311 54.391 52.037 0.071 0.000 0.633 223 A CB -0.652 18.401 19.000 0.089 0.000 0.819 223 A HN 0.479 nan 8.150 nan 0.000 0.448 224 L N -0.070 121.192 121.223 0.065 0.000 1.970 224 L HA -0.146 4.194 4.340 -0.000 0.000 0.212 224 L C 2.281 179.184 176.870 0.054 0.000 1.071 224 L CA 1.964 56.837 54.840 0.054 0.000 0.751 224 L CB -0.805 41.284 42.059 0.049 0.000 0.889 224 L HN 0.405 nan 8.230 nan 0.000 0.432 225 L N -0.810 120.449 121.223 0.060 0.000 2.081 225 L HA -0.258 4.081 4.340 -0.000 0.000 0.212 225 L C 2.594 179.509 176.870 0.076 0.000 1.080 225 L CA 0.969 55.843 54.840 0.057 0.000 0.754 225 L CB -0.676 41.421 42.059 0.062 0.000 0.893 225 L HN 0.348 nan 8.230 nan 0.000 0.433 226 I N -0.291 120.347 120.570 0.112 0.000 2.226 226 I HA -0.292 3.878 4.170 -0.000 0.000 0.245 226 I C 2.562 178.777 176.117 0.163 0.000 1.100 226 I CA 1.787 63.199 61.300 0.187 0.000 1.374 226 I CB -0.795 37.307 38.000 0.170 0.000 1.057 226 I HN 0.332 nan 8.210 nan 0.000 0.413 227 M N -0.106 119.552 119.600 0.096 0.000 2.175 227 M HA -0.176 4.304 4.480 -0.000 0.000 0.264 227 M C 2.281 178.610 176.300 0.049 0.000 1.063 227 M CA 1.593 56.934 55.300 0.069 0.000 1.119 227 M CB -0.442 32.182 32.600 0.041 0.000 1.377 227 M HN 0.136 nan 8.290 nan 0.000 0.415 228 L N -0.549 120.695 121.223 0.034 0.000 2.141 228 L HA -0.065 4.275 4.340 -0.000 0.000 0.209 228 L C 0.714 177.566 176.870 -0.030 0.000 1.094 228 L CA 0.467 55.309 54.840 0.005 0.000 0.763 228 L CB -1.050 41.011 42.059 0.003 0.000 0.908 228 L HN 0.204 nan 8.230 nan 0.000 0.437 229 T N 1.420 115.949 114.554 -0.042 0.000 2.832 229 T HA 0.135 4.485 4.350 -0.000 0.000 0.296 229 T C 0.288 174.834 174.700 -0.256 0.000 0.968 229 T CA -0.297 61.677 62.100 -0.209 0.000 1.107 229 T CB 1.352 70.025 68.868 -0.325 0.000 0.916 229 T HN -0.056 nan 8.240 nan 0.000 0.517 230 K N 3.413 123.624 120.400 -0.316 0.000 2.263 230 K HA 0.396 4.716 4.320 -0.000 0.000 0.272 230 K C -1.096 175.310 176.600 -0.323 0.000 1.033 230 K CA -0.447 55.726 56.287 -0.189 0.000 0.884 230 K CB 0.549 32.991 32.500 -0.096 0.000 1.107 230 K HN 0.462 nan 8.250 nan 0.000 0.460 231 F N 3.574 123.539 119.950 0.025 0.000 2.440 231 F HA 0.425 4.952 4.527 -0.000 0.000 0.328 231 F C -1.380 174.376 175.800 -0.073 0.000 1.070 231 F CA -2.010 55.983 58.000 -0.012 0.000 1.011 231 F CB 0.508 39.568 39.000 0.100 0.000 1.226 231 F HN 0.410 nan 8.300 nan 0.000 0.491 232 P HA 0.312 nan 4.420 nan 0.000 0.274 232 P C -0.985 176.298 177.300 -0.027 0.000 1.246 232 P CA -0.477 62.527 63.100 -0.161 0.000 0.795 232 P CB 0.520 31.846 31.700 -0.623 0.000 1.006 233 A N 1.281 124.104 122.820 0.004 0.000 2.296 233 A HA 0.619 4.939 4.320 -0.000 0.000 0.264 233 A C -0.635 177.007 177.584 0.097 0.000 1.097 233 A CA -0.209 51.871 52.037 0.071 0.000 0.811 233 A CB -0.213 18.823 19.000 0.061 0.000 1.072 233 A HN 0.499 nan 8.150 nan 0.000 0.495 234 L N -0.046 121.249 121.223 0.119 0.000 2.476 234 L HA 0.333 4.673 4.340 -0.000 0.000 0.269 234 L C -0.014 176.915 176.870 0.099 0.000 0.965 234 L CA -0.398 54.523 54.840 0.135 0.000 0.845 234 L CB 1.960 44.137 42.059 0.197 0.000 1.259 234 L HN 0.891 nan 8.230 nan 0.000 0.403 235 Q N 2.424 122.266 119.800 0.070 0.000 2.736 235 Q HA 0.105 4.445 4.340 -0.000 0.000 0.234 235 Q C 0.219 176.242 176.000 0.039 0.000 1.354 235 Q CA 0.828 56.652 55.803 0.035 0.000 0.891 235 Q CB 0.067 28.820 28.738 0.024 0.000 1.665 235 Q HN 0.869 nan 8.270 nan 0.000 0.563 236 S N 0.034 115.753 115.700 0.031 0.000 2.650 236 S HA -0.063 4.407 4.470 -0.000 0.000 0.140 236 S C 0.498 175.062 174.600 -0.060 0.000 0.731 236 S CA 0.033 58.254 58.200 0.035 0.000 1.689 236 S CB -0.531 62.770 63.200 0.168 0.000 1.068 236 S HN 0.479 nan 8.310 nan 0.000 0.553 237 D N 1.904 122.286 120.400 -0.030 0.000 2.355 237 D HA 0.330 4.970 4.640 -0.000 0.000 0.206 237 D C 0.259 176.328 176.300 -0.384 0.000 1.010 237 D CA 0.209 54.090 54.000 -0.198 0.000 0.875 237 D CB -0.073 40.756 40.800 0.049 0.000 0.966 237 D HN 0.350 nan 8.370 nan 0.000 0.512 238 N N 0.583 119.125 118.700 -0.263 0.000 2.307 238 N HA -0.025 4.715 4.740 -0.000 0.000 0.230 238 N C -0.214 174.990 175.510 -0.510 0.000 1.297 238 N CA 0.697 53.575 53.050 -0.286 0.000 0.884 238 N CB 0.219 38.647 38.487 -0.099 0.000 1.115 238 N HN 0.198 nan 8.380 nan 0.000 0.436 239 H N -0.650 118.409 119.070 -0.018 0.000 2.953 239 H HA 0.243 4.799 4.556 -0.000 0.000 0.290 239 H C -0.037 175.285 175.328 -0.009 0.000 1.113 239 H CA -0.234 55.803 56.048 -0.020 0.000 1.454 239 H CB 1.136 30.885 29.762 -0.022 0.000 1.525 239 H HN 0.446 nan 8.280 nan 0.000 0.505 240 S N 1.942 117.683 115.700 0.069 0.000 2.559 240 S HA 0.000 4.470 4.470 -0.000 0.000 0.226 240 S C 0.176 174.801 174.600 0.041 0.000 1.030 240 S CA -0.377 57.851 58.200 0.047 0.000 0.956 240 S CB 0.316 63.529 63.200 0.023 0.000 0.900 240 S HN 0.714 nan 8.310 nan 0.000 0.510 241 D N 0.325 120.753 120.400 0.047 0.000 2.268 241 D HA 0.742 5.382 4.640 -0.000 0.000 0.249 241 D C 0.420 176.751 176.300 0.053 0.000 1.008 241 D CA -0.420 53.604 54.000 0.040 0.000 0.939 241 D CB 1.469 42.286 40.800 0.030 0.000 1.170 241 D HN 0.070 nan 8.370 nan 0.000 0.468 242 A N 0.556 123.401 122.820 0.040 0.000 1.865 242 A HA 0.042 4.361 4.320 -0.000 0.000 0.204 242 A C 1.662 179.270 177.584 0.040 0.000 1.791 242 A CA -0.061 51.999 52.037 0.039 0.000 1.067 242 A CB -0.006 19.009 19.000 0.025 0.000 1.069 242 A HN 0.444 nan 8.150 nan 0.000 0.556 243 K N 1.111 121.529 120.400 0.030 0.000 2.005 243 K HA -0.157 4.163 4.320 -0.000 0.000 0.206 243 K C 1.983 178.601 176.600 0.031 0.000 1.044 243 K CA 1.661 57.965 56.287 0.028 0.000 0.942 243 K CB -0.832 31.678 32.500 0.018 0.000 0.727 243 K HN 0.649 nan 8.250 nan 0.000 0.439 244 Q N 1.078 120.892 119.800 0.024 0.000 2.364 244 Q HA -0.006 4.334 4.340 -0.000 0.000 0.207 244 Q C 1.748 177.765 176.000 0.029 0.000 0.970 244 Q CA 1.482 57.296 55.803 0.017 0.000 0.888 244 Q CB -0.559 28.182 28.738 0.006 0.000 0.951 244 Q HN 0.378 nan 8.270 nan 0.000 0.469 245 G N 0.662 109.491 108.800 0.049 0.000 2.848 245 G HA2 -0.069 3.891 3.960 -0.000 0.000 0.208 245 G HA3 -0.069 3.891 3.960 -0.000 0.000 0.208 245 G C 0.344 175.324 174.900 0.133 0.000 1.152 245 G CA 0.106 45.252 45.100 0.077 0.000 0.789 245 G HN 0.353 nan 8.290 nan 0.000 0.531 246 S N -1.110 114.652 115.700 0.102 0.000 2.580 246 S HA 0.177 4.647 4.470 -0.000 0.000 0.266 246 S C 1.225 175.896 174.600 0.118 0.000 1.354 246 S CA -0.634 57.639 58.200 0.123 0.000 1.008 246 S CB 0.384 63.631 63.200 0.079 0.000 0.898 246 S HN 0.211 nan 8.310 nan 0.000 0.555 247 F N 2.453 122.358 119.950 -0.075 0.000 2.051 247 F HA -0.055 4.471 4.527 -0.000 0.000 0.296 247 F C 2.887 178.569 175.800 -0.196 0.000 1.122 247 F CA 2.387 60.202 58.000 -0.308 0.000 1.201 247 F CB -0.941 37.861 39.000 -0.330 0.000 0.978 247 F HN 0.644 nan 8.300 nan 0.000 0.472 248 S N -0.169 115.597 115.700 0.110 0.000 2.399 248 S HA -0.148 4.322 4.470 -0.000 0.000 0.231 248 S C 2.184 176.751 174.600 -0.055 0.000 1.022 248 S CA 1.035 59.253 58.200 0.029 0.000 0.983 248 S CB -0.767 62.476 63.200 0.072 0.000 0.803 248 S HN 0.506 nan 8.310 nan 0.000 0.480 249 A N 0.991 123.790 122.820 -0.034 0.000 1.851 249 A HA -0.066 4.254 4.320 -0.000 0.000 0.216 249 A C 2.443 179.972 177.584 -0.092 0.000 1.195 249 A CA 2.226 54.237 52.037 -0.043 0.000 0.622 249 A CB -1.443 17.553 19.000 -0.007 0.000 0.831 249 A HN 0.565 nan 8.150 nan 0.000 0.444 250 S N -0.546 115.092 115.700 -0.103 0.000 2.374 250 S HA -0.199 4.271 4.470 -0.000 0.000 0.227 250 S C 1.928 176.361 174.600 -0.278 0.000 1.037 250 S CA 1.646 59.762 58.200 -0.141 0.000 1.024 250 S CB -0.583 62.616 63.200 -0.002 0.000 0.861 250 S HN 0.569 nan 8.310 nan 0.000 0.456 251 L N 1.819 122.837 121.223 -0.342 0.000 1.988 251 L HA -0.114 4.226 4.340 -0.000 0.000 0.207 251 L C 2.433 179.149 176.870 -0.257 0.000 1.071 251 L CA 2.081 56.703 54.840 -0.363 0.000 0.744 251 L CB -0.762 41.117 42.059 -0.301 0.000 0.893 251 L HN 0.417 nan 8.230 nan 0.000 0.433 252 S N -0.552 115.052 115.700 -0.159 0.000 2.400 252 S HA -0.241 4.229 4.470 -0.000 0.000 0.232 252 S C 2.101 176.624 174.600 -0.128 0.000 1.025 252 S CA 1.229 59.362 58.200 -0.112 0.000 0.993 252 S CB -0.736 62.424 63.200 -0.066 0.000 0.808 252 S HN 0.519 nan 8.310 nan 0.000 0.478 253 R N 0.575 120.981 120.500 -0.157 0.000 2.115 253 R HA 0.180 4.520 4.340 -0.000 0.000 0.230 253 R C 2.279 178.444 176.300 -0.224 0.000 1.111 253 R CA 1.247 57.251 56.100 -0.159 0.000 0.976 253 R CB -0.503 29.707 30.300 -0.150 0.000 0.870 253 R HN 0.452 nan 8.270 nan 0.000 0.445 254 L N 0.519 121.529 121.223 -0.355 0.000 2.131 254 L HA -0.046 4.294 4.340 -0.000 0.000 0.210 254 L C 1.081 177.802 176.870 -0.249 0.000 1.092 254 L CA 0.289 54.789 54.840 -0.566 0.000 0.759 254 L CB -0.465 40.924 42.059 -1.117 0.000 0.903 254 L HN 0.101 nan 8.230 nan 0.000 0.435 255 A N 1.010 123.752 122.820 -0.130 0.000 2.444 255 A HA 0.210 4.530 4.320 -0.000 0.000 0.287 255 A C 0.314 177.889 177.584 -0.016 0.000 1.195 255 A CA -0.027 52.001 52.037 -0.016 0.000 0.858 255 A CB -0.350 18.633 19.000 -0.028 0.000 1.117 255 A HN 0.430 nan 8.150 nan 0.000 0.521 256 R N 1.096 121.610 120.500 0.025 0.000 2.717 256 R HA -0.164 4.176 4.340 -0.000 0.000 0.298 256 R C -0.645 175.639 176.300 -0.025 0.000 0.971 256 R CA 0.192 56.302 56.100 0.017 0.000 0.773 256 R CB -1.469 28.839 30.300 0.014 0.000 2.073 256 R HN 0.761 nan 8.270 nan 0.000 0.494 257 I N 1.705 122.246 120.570 -0.047 0.000 3.163 257 I HA -0.277 3.893 4.170 -0.000 0.000 0.332 257 I C 1.946 178.095 176.117 0.053 0.000 1.205 257 I CA 1.210 62.492 61.300 -0.030 0.000 1.473 257 I CB 0.156 38.066 38.000 -0.150 0.000 1.300 257 I HN 0.526 nan 8.210 nan 0.000 0.532 258 R N 4.676 125.218 120.500 0.069 0.000 2.123 258 R HA -0.037 4.303 4.340 -0.000 0.000 0.209 258 R C 2.136 178.588 176.300 0.254 0.000 1.078 258 R CA 0.814 57.019 56.100 0.174 0.000 1.028 258 R CB -0.153 30.238 30.300 0.152 0.000 0.939 258 R HN 0.880 nan 8.270 nan 0.000 0.463 259 H N -1.755 117.436 119.070 0.202 0.000 2.421 259 H HA -0.137 4.419 4.556 -0.000 0.000 0.298 259 H C 1.761 177.302 175.328 0.355 0.000 1.087 259 H CA 1.502 57.725 56.048 0.292 0.000 1.330 259 H CB -0.759 29.105 29.762 0.170 0.000 1.388 259 H HN 0.430 nan 8.280 nan 0.000 0.526 260 W N 2.732 123.752 121.300 -0.465 0.000 2.378 260 W HA -0.106 4.554 4.660 -0.000 0.000 0.313 260 W C 2.840 179.248 176.519 -0.185 0.000 1.197 260 W CA 1.904 59.070 57.345 -0.298 0.000 1.304 260 W CB -0.130 29.099 29.460 -0.385 0.000 1.148 260 W HN 0.190 nan 8.180 nan 0.000 0.494 261 R N -0.871 119.520 120.500 -0.181 0.000 2.159 261 R HA -0.219 4.121 4.340 -0.000 0.000 0.237 261 R C 1.832 177.845 176.300 -0.479 0.000 1.131 261 R CA 2.119 57.935 56.100 -0.473 0.000 0.982 261 R CB -1.119 29.103 30.300 -0.130 0.000 0.868 261 R HN 0.355 nan 8.270 nan 0.000 0.453 262 W N 0.045 121.200 121.300 -0.240 0.000 2.481 262 W HA 0.227 4.887 4.660 -0.000 0.000 0.293 262 W C 2.496 178.645 176.519 -0.616 0.000 1.201 262 W CA 0.952 58.195 57.345 -0.170 0.000 1.328 262 W CB -0.169 29.444 29.460 0.255 0.000 1.112 262 W HN 0.218 nan 8.180 nan 0.000 0.546 263 A N -0.195 122.187 122.820 -0.730 0.000 1.972 263 A HA -0.150 4.170 4.320 -0.000 0.000 0.219 263 A C 1.944 179.126 177.584 -0.669 0.000 1.169 263 A CA 1.860 53.207 52.037 -1.149 0.000 0.635 263 A CB -1.049 17.534 19.000 -0.694 0.000 0.810 263 A HN 0.090 nan 8.150 nan 0.000 0.446 264 V N -0.214 119.290 119.914 -0.684 0.000 2.255 264 V HA -0.252 3.868 4.120 -0.000 0.000 0.247 264 V C 2.481 178.368 176.094 -0.346 0.000 1.051 264 V CA 2.064 64.013 62.300 -0.586 0.000 1.018 264 V CB -0.770 30.554 31.823 -0.831 0.000 0.641 264 V HN 0.627 nan 8.190 nan 0.000 0.445 265 L N 0.887 121.884 121.223 -0.377 0.000 2.079 265 L HA -0.098 4.242 4.340 -0.000 0.000 0.210 265 L C 2.371 179.210 176.870 -0.052 0.000 1.081 265 L CA 2.378 57.078 54.840 -0.234 0.000 0.752 265 L CB -1.054 40.769 42.059 -0.393 0.000 0.896 265 L HN 0.235 nan 8.230 nan 0.000 0.433 266 A N -1.203 121.539 122.820 -0.131 0.000 1.930 266 A HA -0.237 4.083 4.320 -0.000 0.000 0.217 266 A C 2.274 179.893 177.584 0.058 0.000 1.175 266 A CA 1.648 53.671 52.037 -0.023 0.000 0.627 266 A CB -0.554 18.302 19.000 -0.241 0.000 0.815 266 A HN 0.552 nan 8.150 nan 0.000 0.443 267 Q N -1.600 118.194 119.800 -0.010 0.000 2.137 267 Q HA -0.024 4.316 4.340 -0.000 0.000 0.198 267 Q C 1.637 177.757 176.000 0.200 0.000 0.960 267 Q CA 1.318 57.185 55.803 0.108 0.000 0.847 267 Q CB -0.482 28.249 28.738 -0.012 0.000 0.915 267 Q HN 0.599 nan 8.270 nan 0.000 0.448 268 F N -0.312 119.642 119.950 0.005 0.000 2.091 268 F HA -0.325 4.202 4.527 -0.000 0.000 0.299 268 F C 1.962 177.773 175.800 0.018 0.000 1.103 268 F CA 1.679 59.689 58.000 0.015 0.000 1.228 268 F CB -0.595 38.387 39.000 -0.030 0.000 0.984 268 F HN 0.168 nan 8.300 nan 0.000 0.477 269 C N -0.813 118.538 119.300 0.085 0.000 2.446 269 C HA -0.157 4.303 4.460 -0.000 0.000 0.277 269 C C 2.513 177.435 174.990 -0.112 0.000 1.275 269 C CA 0.944 59.939 59.018 -0.039 0.000 1.727 269 C CB -1.642 26.140 27.740 0.070 0.000 2.010 269 C HN 0.669 nan 8.230 nan 0.000 0.486 270 Y N 1.935 122.198 120.300 -0.061 0.000 2.128 270 Y HA -0.209 4.341 4.550 -0.000 0.000 0.284 270 Y C 2.288 178.132 175.900 -0.094 0.000 1.154 270 Y CA 2.001 60.082 58.100 -0.033 0.000 1.149 270 Y CB -0.520 38.031 38.460 0.151 0.000 0.976 270 Y HN 0.142 nan 8.280 nan 0.000 0.505 271 V N 0.201 120.028 119.914 -0.145 0.000 2.427 271 V HA -0.214 3.906 4.120 -0.000 0.000 0.248 271 V C 2.631 178.490 176.094 -0.392 0.000 1.051 271 V CA 1.770 63.909 62.300 -0.268 0.000 1.048 271 V CB -1.609 30.179 31.823 -0.059 0.000 0.666 271 V HN 0.620 nan 8.190 nan 0.000 0.456 272 G N -0.148 108.404 108.800 -0.412 0.000 2.421 272 G HA2 -0.208 3.751 3.960 -0.000 0.000 0.216 272 G HA3 -0.208 3.751 3.960 -0.000 0.000 0.216 272 G C 1.793 176.458 174.900 -0.391 0.000 1.171 272 G CA 1.139 45.995 45.100 -0.405 0.000 0.775 272 G HN 0.594 nan 8.290 nan 0.000 0.543 273 A N 0.320 122.848 122.820 -0.485 0.000 1.865 273 A HA -0.166 4.154 4.320 -0.000 0.000 0.217 273 A C 2.326 179.590 177.584 -0.534 0.000 1.191 273 A CA 2.209 53.889 52.037 -0.596 0.000 0.623 273 A CB -0.733 17.641 19.000 -1.044 0.000 0.826 273 A HN 0.459 nan 8.150 nan 0.000 0.444 274 Q N -0.450 118.923 119.800 -0.712 0.000 2.096 274 Q HA -0.206 4.133 4.340 -0.000 0.000 0.204 274 Q C 2.176 177.693 176.000 -0.806 0.000 0.982 274 Q CA 2.729 57.996 55.803 -0.894 0.000 0.850 274 Q CB -0.372 27.666 28.738 -1.166 0.000 0.901 274 Q HN 0.783 nan 8.270 nan 0.000 0.422 275 T N -2.198 112.055 114.554 -0.501 0.000 2.904 275 T HA 0.081 4.431 4.350 -0.000 0.000 0.267 275 T C 1.893 176.525 174.700 -0.114 0.000 1.059 275 T CA 0.958 62.904 62.100 -0.258 0.000 1.137 275 T CB -0.341 68.413 68.868 -0.190 0.000 0.879 275 T HN 0.353 nan 8.240 nan 0.000 0.467 276 A N 0.747 123.481 122.820 -0.143 0.000 1.908 276 A HA -0.060 4.260 4.320 -0.000 0.000 0.218 276 A C 2.790 180.399 177.584 0.041 0.000 1.181 276 A CA 1.675 53.695 52.037 -0.029 0.000 0.627 276 A CB -1.509 17.418 19.000 -0.121 0.000 0.818 276 A HN 0.712 nan 8.150 nan 0.000 0.445 277 C N -2.433 116.828 119.300 -0.065 0.000 2.473 277 C HA -0.110 4.350 4.460 -0.000 0.000 0.279 277 C C 2.513 177.632 174.990 0.215 0.000 1.250 277 C CA 0.620 59.657 59.018 0.031 0.000 1.713 277 C CB -1.520 26.193 27.740 -0.046 0.000 2.066 277 C HN 0.838 nan 8.230 nan 0.000 0.474 278 W N 1.638 122.962 121.300 0.040 0.000 2.409 278 W HA -0.044 4.616 4.660 -0.000 0.000 0.299 278 W C 2.908 179.432 176.519 0.009 0.000 1.203 278 W CA 1.463 58.819 57.345 0.018 0.000 1.298 278 W CB -1.789 27.661 29.460 -0.017 0.000 1.127 278 W HN 0.495 nan 8.180 nan 0.000 0.528 279 S N -0.755 115.081 115.700 0.227 0.000 2.382 279 S HA -0.220 4.250 4.470 -0.000 0.000 0.228 279 S C 1.723 176.308 174.600 -0.025 0.000 1.027 279 S CA 1.239 59.482 58.200 0.072 0.000 0.991 279 S CB -1.018 62.205 63.200 0.037 0.000 0.823 279 S HN 0.264 nan 8.310 nan 0.000 0.469 280 Y N 0.900 121.247 120.300 0.079 0.000 2.478 280 Y HA 0.394 4.943 4.550 -0.000 0.000 0.261 280 Y C 2.029 177.999 175.900 0.117 0.000 1.127 280 Y CA -0.093 58.057 58.100 0.085 0.000 1.288 280 Y CB -0.120 38.385 38.460 0.074 0.000 1.084 280 Y HN 0.234 nan 8.280 nan 0.000 0.530 281 L N 0.142 121.497 121.223 0.221 0.000 2.011 281 L HA -0.345 3.995 4.340 -0.000 0.000 0.225 281 L C 2.002 178.962 176.870 0.151 0.000 1.084 281 L CA 1.952 56.885 54.840 0.154 0.000 0.791 281 L CB -0.416 41.732 42.059 0.149 0.000 0.898 281 L HN 0.243 nan 8.230 nan 0.000 0.440 282 I N -1.049 119.586 120.570 0.109 0.000 2.315 282 I HA -0.276 3.894 4.170 -0.000 0.000 0.248 282 I C 2.695 178.868 176.117 0.093 0.000 1.117 282 I CA 1.055 62.408 61.300 0.089 0.000 1.404 282 I CB -0.364 37.670 38.000 0.057 0.000 1.071 282 I HN 0.306 nan 8.210 nan 0.000 0.419 283 R N -0.020 120.536 120.500 0.092 0.000 2.073 283 R HA -0.231 4.109 4.340 -0.000 0.000 0.234 283 R C 2.396 178.776 176.300 0.133 0.000 1.134 283 R CA 1.881 58.037 56.100 0.094 0.000 0.952 283 R CB -0.560 29.797 30.300 0.096 0.000 0.850 283 R HN 0.330 nan 8.270 nan 0.000 0.433 284 Y N 0.862 121.198 120.300 0.060 0.000 2.081 284 Y HA -0.353 4.197 4.550 -0.000 0.000 0.280 284 Y C 2.264 178.145 175.900 -0.033 0.000 1.163 284 Y CA 1.799 59.915 58.100 0.026 0.000 1.135 284 Y CB -0.340 38.143 38.460 0.038 0.000 0.970 284 Y HN 0.125 nan 8.280 nan 0.000 0.498 285 A N -0.559 122.415 122.820 0.255 0.000 1.883 285 A HA -0.221 4.099 4.320 -0.000 0.000 0.217 285 A C 2.311 179.885 177.584 -0.017 0.000 1.186 285 A CA 2.295 54.374 52.037 0.070 0.000 0.624 285 A CB -1.404 17.589 19.000 -0.011 0.000 0.822 285 A HN 0.382 nan 8.150 nan 0.000 0.444 286 V N 0.711 120.631 119.914 0.010 0.000 2.427 286 V HA -0.226 3.894 4.120 -0.000 0.000 0.248 286 V C 2.480 178.548 176.094 -0.043 0.000 1.051 286 V CA 2.268 64.564 62.300 -0.007 0.000 1.048 286 V CB -0.751 31.082 31.823 0.017 0.000 0.666 286 V HN 0.939 nan 8.190 nan 0.000 0.456 287 E N -0.081 120.082 120.200 -0.062 0.000 2.481 287 E HA -0.173 4.176 4.350 -0.000 0.000 0.195 287 E C 1.801 178.311 176.600 -0.151 0.000 1.047 287 E CA 1.009 57.354 56.400 -0.091 0.000 0.867 287 E CB 0.057 29.707 29.700 -0.082 0.000 0.858 287 E HN 0.529 nan 8.360 nan 0.000 0.513 288 E N 0.284 120.366 120.200 -0.196 0.000 2.434 288 E HA 0.316 4.666 4.350 -0.000 0.000 0.207 288 E C -0.343 176.136 176.600 -0.203 0.000 0.929 288 E CA 0.182 56.429 56.400 -0.255 0.000 1.001 288 E CB 0.676 30.104 29.700 -0.453 0.000 1.016 288 E HN 0.304 nan 8.360 nan 0.000 0.502 289 I N 2.743 123.205 120.570 -0.181 0.000 2.476 289 I HA 0.318 4.488 4.170 -0.000 0.000 0.281 289 I C -2.486 173.559 176.117 -0.120 0.000 1.040 289 I CA -2.233 58.939 61.300 -0.213 0.000 1.094 289 I CB 2.203 40.012 38.000 -0.320 0.000 1.219 289 I HN -0.129 nan 8.210 nan 0.000 0.450 290 P HA 0.263 nan 4.420 nan 0.000 0.293 290 P C -0.215 177.067 177.300 -0.030 0.000 1.300 290 P CA -0.225 62.847 63.100 -0.047 0.000 0.792 290 P CB 1.614 33.294 31.700 -0.033 0.000 0.925 291 G N 4.619 113.397 108.800 -0.037 0.000 2.671 291 G HA2 0.397 4.357 3.960 -0.000 0.000 0.318 291 G HA3 0.397 4.357 3.960 -0.000 0.000 0.318 291 G C -0.057 174.815 174.900 -0.047 0.000 1.250 291 G CA -0.475 44.602 45.100 -0.038 0.000 1.028 291 G HN 0.327 nan 8.290 nan 0.000 0.501 292 M N 2.746 122.325 119.600 -0.036 0.000 2.200 292 M HA 0.204 4.684 4.480 -0.000 0.000 0.355 292 M C 0.923 177.245 176.300 0.036 0.000 1.283 292 M CA -0.106 55.193 55.300 -0.001 0.000 1.124 292 M CB 0.989 33.596 32.600 0.013 0.000 1.625 292 M HN 0.580 nan 8.290 nan 0.000 0.463 293 T N 0.226 114.830 114.554 0.083 0.000 2.909 293 T HA 0.528 4.878 4.350 -0.000 0.000 0.289 293 T C 1.183 175.964 174.700 0.135 0.000 1.005 293 T CA -0.453 61.708 62.100 0.102 0.000 1.084 293 T CB 1.207 70.151 68.868 0.128 0.000 0.975 293 T HN 0.646 nan 8.240 nan 0.000 0.509 294 A N 2.260 125.137 122.820 0.094 0.000 2.019 294 A HA 0.165 4.485 4.320 -0.000 0.000 0.219 294 A C 2.375 180.021 177.584 0.103 0.000 1.164 294 A CA 1.567 53.657 52.037 0.088 0.000 0.644 294 A CB -1.538 17.493 19.000 0.052 0.000 0.805 294 A HN 1.080 nan 8.150 nan 0.000 0.449 295 G N -0.999 107.867 108.800 0.109 0.000 2.459 295 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.217 295 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.217 295 G C 1.470 176.450 174.900 0.132 0.000 1.183 295 G CA 1.217 46.379 45.100 0.103 0.000 0.776 295 G HN 0.494 nan 8.290 nan 0.000 0.552 296 F N 2.122 122.115 119.950 0.071 0.000 2.186 296 F HA 0.156 4.683 4.527 -0.000 0.000 0.299 296 F C 2.889 178.788 175.800 0.165 0.000 1.090 296 F CA 1.178 59.240 58.000 0.103 0.000 1.307 296 F CB -0.052 39.015 39.000 0.113 0.000 1.019 296 F HN 0.232 nan 8.300 nan 0.000 0.489 297 A N 0.409 123.455 122.820 0.377 0.000 1.986 297 A HA -0.212 4.108 4.320 -0.000 0.000 0.220 297 A C 2.358 180.079 177.584 0.227 0.000 1.171 297 A CA 1.744 53.975 52.037 0.323 0.000 0.640 297 A CB -1.514 17.593 19.000 0.178 0.000 0.811 297 A HN 0.471 nan 8.150 nan 0.000 0.451 298 A N 0.196 123.080 122.820 0.105 0.000 2.024 298 A HA -0.234 4.086 4.320 -0.000 0.000 0.220 298 A C 1.909 179.482 177.584 -0.018 0.000 1.164 298 A CA 1.757 53.812 52.037 0.029 0.000 0.643 298 A CB -0.647 18.349 19.000 -0.007 0.000 0.806 298 A HN 0.590 nan 8.150 nan 0.000 0.451 299 N N -0.973 117.672 118.700 -0.091 0.000 2.104 299 N HA -0.190 4.550 4.740 -0.000 0.000 0.190 299 N C 1.524 176.946 175.510 -0.148 0.000 1.024 299 N CA 1.783 54.700 53.050 -0.223 0.000 0.853 299 N CB -0.567 37.593 38.487 -0.545 0.000 1.008 299 N HN 0.690 nan 8.380 nan 0.000 0.424 300 Y N 0.779 121.054 120.300 -0.041 0.000 2.181 300 Y HA -0.117 4.433 4.550 -0.000 0.000 0.288 300 Y C 2.263 178.149 175.900 -0.024 0.000 1.146 300 Y CA 0.528 58.634 58.100 0.010 0.000 1.164 300 Y CB -0.411 38.091 38.460 0.071 0.000 0.982 300 Y HN 0.002 nan 8.280 nan 0.000 0.515 301 L N -0.423 120.869 121.223 0.115 0.000 2.042 301 L HA -0.211 4.129 4.340 -0.000 0.000 0.210 301 L C 2.206 179.015 176.870 -0.102 0.000 1.076 301 L CA 2.069 56.901 54.840 -0.013 0.000 0.749 301 L CB -1.139 40.905 42.059 -0.026 0.000 0.893 301 L HN 0.151 nan 8.230 nan 0.000 0.432 302 T N -0.604 113.898 114.554 -0.087 0.000 2.622 302 T HA -0.144 4.206 4.350 -0.000 0.000 0.266 302 T C 1.710 176.357 174.700 -0.088 0.000 1.047 302 T CA 1.455 63.491 62.100 -0.107 0.000 1.159 302 T CB -0.955 67.850 68.868 -0.105 0.000 0.863 302 T HN 0.591 nan 8.240 nan 0.000 0.422 303 G N 1.195 109.952 108.800 -0.072 0.000 2.503 303 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.221 303 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.221 303 G C 1.696 176.598 174.900 0.004 0.000 1.131 303 G CA 1.795 46.871 45.100 -0.039 0.000 0.756 303 G HN 0.513 nan 8.290 nan 0.000 0.572 304 T N 1.586 116.135 114.554 -0.008 0.000 2.665 304 T HA -0.172 4.178 4.350 -0.000 0.000 0.268 304 T C 2.461 177.147 174.700 -0.023 0.000 1.035 304 T CA 1.649 63.748 62.100 -0.001 0.000 1.151 304 T CB -0.215 68.578 68.868 -0.126 0.000 0.862 304 T HN 0.106 nan 8.240 nan 0.000 0.438 305 M N 0.994 120.504 119.600 -0.150 0.000 2.229 305 M HA 0.026 4.506 4.480 -0.000 0.000 0.264 305 M C 2.467 178.839 176.300 0.120 0.000 1.063 305 M CA 0.773 56.010 55.300 -0.105 0.000 1.114 305 M CB -1.663 30.815 32.600 -0.204 0.000 1.387 305 M HN 0.140 nan 8.290 nan 0.000 0.420 306 V N -0.564 119.400 119.914 0.083 0.000 2.358 306 V HA -0.262 3.858 4.120 -0.000 0.000 0.246 306 V C 2.587 178.781 176.094 0.167 0.000 1.047 306 V CA 1.477 63.861 62.300 0.139 0.000 1.035 306 V CB -1.020 30.842 31.823 0.065 0.000 0.658 306 V HN 0.472 nan 8.190 nan 0.000 0.452 307 C N -0.473 118.908 119.300 0.135 0.000 2.413 307 C HA -0.174 4.286 4.460 -0.000 0.000 0.276 307 C C 2.555 177.637 174.990 0.154 0.000 1.248 307 C CA 1.198 60.283 59.018 0.112 0.000 1.742 307 C CB -1.184 26.636 27.740 0.132 0.000 2.017 307 C HN 0.639 nan 8.230 nan 0.000 0.481 308 F N 0.619 120.647 119.950 0.131 0.000 2.102 308 F HA -0.138 4.389 4.527 -0.000 0.000 0.298 308 F C 2.097 178.026 175.800 0.216 0.000 1.105 308 F CA 1.979 60.105 58.000 0.210 0.000 1.239 308 F CB -0.538 38.617 39.000 0.258 0.000 0.991 308 F HN 0.249 nan 8.300 nan 0.000 0.474 309 F N 1.009 121.146 119.950 0.311 0.000 2.051 309 F HA -0.192 4.335 4.527 -0.000 0.000 0.296 309 F C 2.130 177.978 175.800 0.080 0.000 1.122 309 F CA 1.794 59.914 58.000 0.201 0.000 1.201 309 F CB -0.942 38.167 39.000 0.182 0.000 0.978 309 F HN -0.026 nan 8.300 nan 0.000 0.472 310 I N 0.530 120.978 120.570 -0.204 0.000 2.145 310 I HA -0.335 3.835 4.170 -0.000 0.000 0.244 310 I C 2.762 178.746 176.117 -0.222 0.000 1.075 310 I CA 1.639 62.755 61.300 -0.307 0.000 1.332 310 I CB -1.498 36.419 38.000 -0.139 0.000 1.033 310 I HN 0.370 nan 8.210 nan 0.000 0.410 311 G N 0.583 109.281 108.800 -0.170 0.000 2.476 311 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.218 311 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.218 311 G C 1.822 176.647 174.900 -0.125 0.000 1.164 311 G CA 0.670 45.656 45.100 -0.191 0.000 0.768 311 G HN 0.320 nan 8.290 nan 0.000 0.560 312 R N -0.987 119.394 120.500 -0.198 0.000 2.075 312 R HA 0.011 4.351 4.340 -0.000 0.000 0.232 312 R C 2.328 178.544 176.300 -0.141 0.000 1.126 312 R CA 1.104 57.102 56.100 -0.170 0.000 0.963 312 R CB -0.578 29.638 30.300 -0.140 0.000 0.858 312 R HN 0.404 nan 8.270 nan 0.000 0.435 313 F N 1.907 121.625 119.950 -0.387 0.000 2.043 313 F HA -0.316 4.211 4.527 -0.000 0.000 0.297 313 F C 2.676 178.388 175.800 -0.147 0.000 1.121 313 F CA 2.349 60.129 58.000 -0.365 0.000 1.199 313 F CB -0.707 37.936 39.000 -0.595 0.000 0.968 313 F HN 0.090 nan 8.300 nan 0.000 0.478 314 T N -2.026 112.643 114.554 0.190 0.000 2.708 314 T HA -0.111 4.239 4.350 -0.000 0.000 0.266 314 T C 2.321 177.154 174.700 0.222 0.000 1.037 314 T CA 1.328 63.570 62.100 0.236 0.000 1.146 314 T CB -1.697 67.267 68.868 0.161 0.000 0.865 314 T HN 0.339 nan 8.240 nan 0.000 0.435 315 G N 1.152 110.013 108.800 0.102 0.000 2.442 315 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.219 315 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.219 315 G C 1.732 176.592 174.900 -0.067 0.000 1.141 315 G CA 1.471 46.542 45.100 -0.048 0.000 0.763 315 G HN 0.571 nan 8.290 nan 0.000 0.554 316 T N -0.463 114.049 114.554 -0.069 0.000 2.821 316 T HA -0.136 4.214 4.350 -0.000 0.000 0.267 316 T C 1.828 176.573 174.700 0.074 0.000 1.046 316 T CA 1.107 63.163 62.100 -0.073 0.000 1.139 316 T CB -0.253 68.472 68.868 -0.238 0.000 0.871 316 T HN 0.535 nan 8.240 nan 0.000 0.454 317 W N 1.855 123.087 121.300 -0.113 0.000 2.374 317 W HA -0.008 4.652 4.660 -0.000 0.000 0.288 317 W C 1.559 178.060 176.519 -0.029 0.000 1.218 317 W CA 0.704 58.013 57.345 -0.060 0.000 1.245 317 W CB -0.502 28.915 29.460 -0.073 0.000 1.126 317 W HN 0.176 nan 8.180 nan 0.000 0.545 318 L N 0.112 121.300 121.223 -0.059 0.000 2.044 318 L HA -0.244 4.096 4.340 -0.000 0.000 0.205 318 L C 2.421 179.194 176.870 -0.161 0.000 1.075 318 L CA 0.911 55.651 54.840 -0.167 0.000 0.747 318 L CB -0.999 41.105 42.059 0.075 0.000 0.903 318 L HN -0.082 nan 8.230 nan 0.000 0.435 319 I N 0.225 120.755 120.570 -0.067 0.000 2.423 319 I HA -0.260 3.910 4.170 -0.000 0.000 0.254 319 I C 2.710 178.818 176.117 -0.014 0.000 1.151 319 I CA 1.775 63.071 61.300 -0.007 0.000 1.421 319 I CB -1.104 36.931 38.000 0.057 0.000 1.079 319 I HN 0.408 nan 8.210 nan 0.000 0.431 320 S N 0.776 116.419 115.700 -0.095 0.000 2.395 320 S HA -0.023 4.447 4.470 -0.000 0.000 0.225 320 S C 2.003 176.343 174.600 -0.433 0.000 1.027 320 S CA 0.210 58.228 58.200 -0.302 0.000 0.965 320 S CB -0.124 62.824 63.200 -0.420 0.000 0.812 320 S HN 0.306 nan 8.310 nan 0.000 0.482 321 R N 0.328 120.451 120.500 -0.629 0.000 2.153 321 R HA 0.388 4.728 4.340 -0.000 0.000 0.218 321 R C -0.613 175.198 176.300 -0.815 0.000 1.072 321 R CA 0.419 55.971 56.100 -0.913 0.000 0.990 321 R CB -0.444 28.973 30.300 -1.471 0.000 0.889 321 R HN 0.432 nan 8.270 nan 0.000 0.452 322 F N -0.867 118.945 119.950 -0.229 0.000 2.626 322 F HA 0.501 5.027 4.527 -0.000 0.000 0.311 322 F C -0.187 175.512 175.800 -0.168 0.000 1.088 322 F CA -2.414 55.474 58.000 -0.186 0.000 0.949 322 F CB 0.854 39.742 39.000 -0.188 0.000 1.322 322 F HN -0.184 nan 8.300 nan 0.000 0.461 323 A N 3.440 126.302 122.820 0.070 0.000 2.561 323 A HA 0.267 4.587 4.320 -0.000 0.000 0.251 323 A C -1.859 175.623 177.584 -0.171 0.000 1.062 323 A CA -0.561 51.434 52.037 -0.071 0.000 0.761 323 A CB -0.474 18.428 19.000 -0.164 0.000 0.986 323 A HN 0.550 nan 8.150 nan 0.000 0.510 324 P HA -0.249 nan 4.420 nan 0.000 0.214 324 P C 1.413 178.612 177.300 -0.169 0.000 1.163 324 P CA 1.977 64.979 63.100 -0.163 0.000 0.883 324 P CB -0.236 31.271 31.700 -0.322 0.000 0.788 325 H N 0.424 119.368 119.070 -0.210 0.000 2.387 325 H HA -0.080 4.476 4.556 -0.000 0.000 0.299 325 H C 1.505 176.764 175.328 -0.116 0.000 1.099 325 H CA 1.521 57.453 56.048 -0.194 0.000 1.315 325 H CB -0.962 28.641 29.762 -0.265 0.000 1.380 325 H HN 0.126 nan 8.280 nan 0.000 0.513 326 K N 0.595 120.542 120.400 -0.754 0.000 2.057 326 K HA -0.051 4.269 4.320 -0.000 0.000 0.207 326 K C 2.540 179.032 176.600 -0.180 0.000 1.049 326 K CA 1.432 57.448 56.287 -0.452 0.000 0.931 326 K CB 0.120 32.306 32.500 -0.524 0.000 0.714 326 K HN 0.133 nan 8.250 nan 0.000 0.440 327 V N 1.543 121.358 119.914 -0.164 0.000 2.358 327 V HA -0.223 3.897 4.120 -0.000 0.000 0.246 327 V C 2.173 178.245 176.094 -0.035 0.000 1.047 327 V CA 1.253 63.500 62.300 -0.089 0.000 1.035 327 V CB -0.508 31.215 31.823 -0.166 0.000 0.658 327 V HN 0.236 nan 8.190 nan 0.000 0.452 328 L N 1.291 122.493 121.223 -0.035 0.000 1.994 328 L HA -0.065 4.275 4.340 -0.000 0.000 0.208 328 L C 2.512 179.506 176.870 0.206 0.000 1.071 328 L CA 2.378 57.264 54.840 0.076 0.000 0.745 328 L CB -1.199 40.902 42.059 0.070 0.000 0.892 328 L HN 0.214 nan 8.230 nan 0.000 0.431 329 A N -0.352 122.570 122.820 0.170 0.000 1.883 329 A HA -0.169 4.151 4.320 -0.000 0.000 0.217 329 A C 2.480 180.269 177.584 0.342 0.000 1.186 329 A CA 2.306 54.544 52.037 0.334 0.000 0.624 329 A CB -1.359 17.794 19.000 0.255 0.000 0.822 329 A HN 0.617 nan 8.150 nan 0.000 0.444 330 A N -1.491 121.464 122.820 0.226 0.000 1.873 330 A HA -0.197 4.123 4.320 -0.000 0.000 0.218 330 A C 2.170 179.905 177.584 0.253 0.000 1.193 330 A CA 1.750 53.905 52.037 0.197 0.000 0.629 330 A CB -0.959 18.163 19.000 0.203 0.000 0.826 330 A HN 0.664 nan 8.150 nan 0.000 0.447 331 Y N -0.525 119.858 120.300 0.139 0.000 2.242 331 Y HA -0.089 4.461 4.550 -0.000 0.000 0.291 331 Y C 2.920 178.903 175.900 0.139 0.000 1.137 331 Y CA 0.610 58.835 58.100 0.209 0.000 1.181 331 Y CB -0.134 38.474 38.460 0.247 0.000 0.989 331 Y HN 0.391 nan 8.280 nan 0.000 0.527 332 A N 0.176 123.202 122.820 0.344 0.000 1.877 332 A HA -0.181 4.139 4.320 -0.000 0.000 0.216 332 A C 2.164 179.821 177.584 0.121 0.000 1.186 332 A CA 1.464 53.694 52.037 0.321 0.000 0.620 332 A CB -1.034 18.235 19.000 0.449 0.000 0.822 332 A HN 0.464 nan 8.150 nan 0.000 0.443 333 L N -0.549 120.689 121.223 0.024 0.000 2.017 333 L HA -0.209 4.131 4.340 -0.000 0.000 0.208 333 L C 2.555 179.293 176.870 -0.220 0.000 1.073 333 L CA 1.516 56.253 54.840 -0.171 0.000 0.745 333 L CB -0.553 41.331 42.059 -0.292 0.000 0.894 333 L HN 0.401 nan 8.230 nan 0.000 0.432 334 I N -0.246 120.156 120.570 -0.279 0.000 2.163 334 I HA -0.315 3.855 4.170 -0.000 0.000 0.243 334 I C 2.814 178.612 176.117 -0.532 0.000 1.085 334 I CA 1.275 62.274 61.300 -0.501 0.000 1.347 334 I CB -0.540 36.925 38.000 -0.890 0.000 1.044 334 I HN 0.224 nan 8.210 nan 0.000 0.408 335 A N 0.758 123.282 122.820 -0.493 0.000 1.877 335 A HA -0.272 4.048 4.320 -0.000 0.000 0.216 335 A C 2.452 179.645 177.584 -0.652 0.000 1.186 335 A CA 1.976 53.621 52.037 -0.654 0.000 0.620 335 A CB -0.727 17.691 19.000 -0.969 0.000 0.822 335 A HN 0.498 nan 8.150 nan 0.000 0.443 336 M N -0.198 119.151 119.600 -0.418 0.000 2.108 336 M HA -0.167 4.313 4.480 -0.000 0.000 0.261 336 M C 2.232 178.473 176.300 -0.098 0.000 1.066 336 M CA 1.913 57.171 55.300 -0.069 0.000 1.107 336 M CB -0.412 32.234 32.600 0.076 0.000 1.356 336 M HN 0.419 nan 8.290 nan 0.000 0.406 337 A N 1.363 124.086 122.820 -0.162 0.000 1.842 337 A HA -0.222 4.098 4.320 -0.000 0.000 0.217 337 A C 2.040 179.545 177.584 -0.132 0.000 1.206 337 A CA 2.152 54.106 52.037 -0.138 0.000 0.630 337 A CB -1.400 17.488 19.000 -0.186 0.000 0.839 337 A HN 0.642 nan 8.150 nan 0.000 0.447 338 L N -0.851 120.255 121.223 -0.195 0.000 2.085 338 L HA -0.379 3.961 4.340 -0.000 0.000 0.218 338 L C 2.797 179.608 176.870 -0.099 0.000 1.080 338 L CA 1.886 56.637 54.840 -0.147 0.000 0.776 338 L CB -0.865 41.087 42.059 -0.178 0.000 0.891 338 L HN 0.594 nan 8.230 nan 0.000 0.437 339 C N -0.654 118.586 119.300 -0.101 0.000 2.466 339 C HA -0.085 4.375 4.460 -0.000 0.000 0.278 339 C C 2.716 177.638 174.990 -0.114 0.000 1.288 339 C CA 0.241 59.227 59.018 -0.053 0.000 1.722 339 C CB -0.664 27.115 27.740 0.065 0.000 2.017 339 C HN 0.428 nan 8.230 nan 0.000 0.488 340 L N 0.536 121.689 121.223 -0.117 0.000 2.042 340 L HA -0.177 4.163 4.340 -0.000 0.000 0.210 340 L C 2.453 179.228 176.870 -0.157 0.000 1.076 340 L CA 1.542 56.255 54.840 -0.212 0.000 0.749 340 L CB -0.612 41.446 42.059 -0.002 0.000 0.893 340 L HN 0.349 nan 8.230 nan 0.000 0.432 341 I N -0.994 119.560 120.570 -0.027 0.000 2.208 341 I HA -0.326 3.844 4.170 -0.000 0.000 0.245 341 I C 2.817 178.948 176.117 0.024 0.000 1.097 341 I CA 1.400 62.722 61.300 0.037 0.000 1.363 341 I CB -0.367 37.644 38.000 0.017 0.000 1.051 341 I HN 0.233 nan 8.210 nan 0.000 0.413 342 S N 0.328 116.013 115.700 -0.025 0.000 2.368 342 S HA -0.173 4.297 4.470 -0.000 0.000 0.225 342 S C 2.174 176.809 174.600 0.057 0.000 1.030 342 S CA 1.524 59.729 58.200 0.008 0.000 0.999 342 S CB -0.161 62.989 63.200 -0.083 0.000 0.844 342 S HN 0.512 nan 8.310 nan 0.000 0.459 343 A N 0.114 122.852 122.820 -0.136 0.000 1.898 343 A HA 0.057 4.377 4.320 -0.000 0.000 0.216 343 A C 1.757 179.237 177.584 -0.174 0.000 1.181 343 A CA 1.407 53.292 52.037 -0.252 0.000 0.620 343 A CB -0.666 17.966 19.000 -0.612 0.000 0.819 343 A HN 0.582 nan 8.150 nan 0.000 0.442 344 F N -0.397 119.587 119.950 0.058 0.000 2.446 344 F HA 0.433 4.960 4.527 -0.000 0.000 0.292 344 F C 1.772 177.594 175.800 0.037 0.000 1.096 344 F CA -0.396 57.625 58.000 0.035 0.000 1.438 344 F CB -0.874 38.140 39.000 0.022 0.000 1.107 344 F HN 0.199 nan 8.300 nan 0.000 0.546 345 A N -0.096 122.853 122.820 0.214 0.000 2.251 345 A HA 0.649 4.969 4.320 -0.000 0.000 0.278 345 A C 0.996 178.656 177.584 0.127 0.000 1.206 345 A CA 0.460 52.587 52.037 0.150 0.000 0.822 345 A CB -0.532 18.548 19.000 0.134 0.000 1.187 345 A HN 0.371 nan 8.150 nan 0.000 0.504 346 G N -2.490 106.368 108.800 0.097 0.000 3.198 346 G HA2 0.592 4.552 3.960 -0.000 0.000 0.166 346 G HA3 0.592 4.552 3.960 -0.000 0.000 0.166 346 G C 0.788 175.715 174.900 0.045 0.000 1.134 346 G CA 0.480 45.602 45.100 0.037 0.000 0.941 346 G HN 2.083 nan 8.290 nan 0.000 0.639 347 G N -0.286 108.489 108.800 -0.042 0.000 2.529 347 G HA2 -0.340 3.620 3.960 -0.000 0.000 0.491 347 G HA3 -0.340 3.620 3.960 -0.000 0.000 0.491 347 G C 0.998 175.848 174.900 -0.084 0.000 1.387 347 G CA 1.101 46.143 45.100 -0.097 0.000 0.928 347 G HN 0.836 nan 8.290 nan 0.000 0.515 348 H N -0.253 118.858 119.070 0.069 0.000 2.495 348 H HA -0.013 4.543 4.556 -0.000 0.000 0.287 348 H C 2.772 178.165 175.328 0.107 0.000 1.033 348 H CA 1.411 57.514 56.048 0.091 0.000 1.307 348 H CB -0.300 29.526 29.762 0.106 0.000 1.401 348 H HN 0.267 nan 8.280 nan 0.000 0.555 349 V N 0.425 120.466 119.914 0.212 0.000 2.307 349 V HA -0.122 3.998 4.120 -0.000 0.000 0.245 349 V C 2.814 178.990 176.094 0.135 0.000 1.045 349 V CA 1.782 64.175 62.300 0.155 0.000 1.024 349 V CB -1.205 30.692 31.823 0.124 0.000 0.651 349 V HN 0.433 nan 8.190 nan 0.000 0.449 350 G N -0.515 108.381 108.800 0.160 0.000 2.408 350 G HA2 -0.146 3.814 3.960 -0.000 0.000 0.217 350 G HA3 -0.146 3.814 3.960 -0.000 0.000 0.217 350 G C 1.600 176.546 174.900 0.078 0.000 1.150 350 G CA 0.822 46.030 45.100 0.180 0.000 0.776 350 G HN 0.399 nan 8.290 nan 0.000 0.542 351 L N -0.192 121.110 121.223 0.132 0.000 1.948 351 L HA -0.086 4.254 4.340 -0.000 0.000 0.212 351 L C 2.854 179.736 176.870 0.020 0.000 1.074 351 L CA 1.334 56.162 54.840 -0.020 0.000 0.753 351 L CB -0.343 41.688 42.059 -0.045 0.000 0.888 351 L HN 0.160 nan 8.230 nan 0.000 0.432 352 I N 0.418 121.077 120.570 0.148 0.000 2.145 352 I HA -0.360 3.810 4.170 -0.000 0.000 0.244 352 I C 2.757 178.939 176.117 0.108 0.000 1.075 352 I CA 1.748 63.157 61.300 0.182 0.000 1.332 352 I CB -0.792 37.322 38.000 0.189 0.000 1.033 352 I HN 0.329 nan 8.210 nan 0.000 0.410 353 A N -0.008 122.850 122.820 0.065 0.000 1.865 353 A HA -0.241 4.079 4.320 -0.000 0.000 0.217 353 A C 2.292 179.881 177.584 0.008 0.000 1.191 353 A CA 2.106 54.159 52.037 0.028 0.000 0.623 353 A CB -1.114 17.892 19.000 0.010 0.000 0.826 353 A HN 0.407 nan 8.150 nan 0.000 0.444 354 L N 0.171 121.361 121.223 -0.054 0.000 1.989 354 L HA -0.155 4.185 4.340 -0.000 0.000 0.211 354 L C 2.788 179.697 176.870 0.065 0.000 1.071 354 L CA 3.161 57.961 54.840 -0.067 0.000 0.749 354 L CB -1.054 40.830 42.059 -0.292 0.000 0.890 354 L HN 0.562 nan 8.230 nan 0.000 0.431 355 T N -2.500 112.108 114.554 0.089 0.000 2.915 355 T HA -0.169 4.180 4.350 -0.000 0.000 0.269 355 T C 1.837 176.651 174.700 0.190 0.000 1.071 355 T CA 1.346 63.548 62.100 0.171 0.000 1.132 355 T CB -0.449 68.553 68.868 0.223 0.000 0.878 355 T HN 0.255 nan 8.240 nan 0.000 0.479 356 L N 0.478 121.801 121.223 0.167 0.000 2.492 356 L HA 0.301 4.641 4.340 -0.000 0.000 0.223 356 L C 2.650 179.672 176.870 0.254 0.000 1.132 356 L CA 0.603 55.556 54.840 0.188 0.000 0.850 356 L CB -0.750 41.406 42.059 0.162 0.000 0.966 356 L HN 0.557 nan 8.230 nan 0.000 0.454 357 C N -0.809 118.618 119.300 0.212 0.000 2.425 357 C HA -0.147 4.313 4.460 -0.000 0.000 0.277 357 C C 3.120 178.302 174.990 0.319 0.000 1.280 357 C CA 1.227 60.363 59.018 0.197 0.000 1.744 357 C CB -1.033 26.759 27.740 0.088 0.000 1.989 357 C HN 0.775 nan 8.230 nan 0.000 0.491 358 S N 1.490 117.439 115.700 0.415 0.000 2.399 358 S HA -0.061 4.409 4.470 -0.000 0.000 0.231 358 S C 2.074 176.913 174.600 0.399 0.000 1.022 358 S CA 1.314 59.879 58.200 0.608 0.000 0.983 358 S CB -0.783 62.916 63.200 0.832 0.000 0.803 358 S HN 0.858 nan 8.310 nan 0.000 0.480 359 A N 0.488 123.422 122.820 0.190 0.000 2.139 359 A HA 0.081 4.401 4.320 -0.000 0.000 0.221 359 A C 1.596 178.892 177.584 -0.481 0.000 1.159 359 A CA 1.238 53.175 52.037 -0.167 0.000 0.662 359 A CB -0.781 18.034 19.000 -0.309 0.000 0.796 359 A HN 0.618 nan 8.150 nan 0.000 0.463 360 F N -2.157 117.804 119.950 0.017 0.000 2.727 360 F HA 0.256 4.782 4.527 -0.000 0.000 0.302 360 F C 2.167 178.112 175.800 0.241 0.000 1.107 360 F CA 0.118 58.084 58.000 -0.057 0.000 1.277 360 F CB -0.166 38.642 39.000 -0.320 0.000 1.079 360 F HN 0.026 nan 8.300 nan 0.000 0.594 361 M N 0.234 120.088 119.600 0.424 0.000 2.117 361 M HA -0.182 4.298 4.480 -0.000 0.000 0.262 361 M C 2.393 178.959 176.300 0.443 0.000 1.065 361 M CA 1.609 57.279 55.300 0.617 0.000 1.114 361 M CB -0.786 32.258 32.600 0.740 0.000 1.361 361 M HN 0.279 nan 8.290 nan 0.000 0.408 362 S N 1.901 117.630 115.700 0.050 0.000 2.208 362 S HA -0.301 4.169 4.470 -0.000 0.000 0.433 362 S C 1.536 176.063 174.600 -0.121 0.000 0.994 362 S CA 2.003 59.906 58.200 -0.495 0.000 2.516 362 S CB -1.244 61.716 63.200 -0.401 0.000 1.857 362 S HN 0.349 nan 8.310 nan 0.000 0.498 363 I N 3.075 123.611 120.570 -0.057 0.000 2.597 363 I HA -0.202 3.968 4.170 -0.000 0.000 0.262 363 I C 2.770 178.881 176.117 -0.011 0.000 1.194 363 I CA 1.256 62.508 61.300 -0.080 0.000 1.437 363 I CB -0.908 36.916 38.000 -0.293 0.000 1.096 363 I HN 0.451 nan 8.210 nan 0.000 0.451 364 Q N -1.492 118.329 119.800 0.035 0.000 2.016 364 Q HA -0.254 4.085 4.340 -0.000 0.000 0.200 364 Q C 2.208 178.089 176.000 -0.200 0.000 0.978 364 Q CA 1.983 57.765 55.803 -0.036 0.000 0.833 364 Q CB -0.404 28.369 28.738 0.059 0.000 0.895 364 Q HN 0.568 nan 8.270 nan 0.000 0.427 365 Y N 1.558 121.535 120.300 -0.538 0.000 2.114 365 Y HA -0.167 4.383 4.550 -0.000 0.000 0.284 365 Y C -0.899 175.036 175.900 0.059 0.000 1.143 365 Y CA 1.798 59.709 58.100 -0.315 0.000 1.135 365 Y CB -1.004 37.383 38.460 -0.122 0.000 0.980 365 Y HN 0.089 nan 8.280 nan 0.000 0.499 366 P HA -0.146 nan 4.420 nan 0.000 0.215 366 P C 1.583 178.961 177.300 0.131 0.000 1.157 366 P CA 2.815 66.007 63.100 0.152 0.000 0.868 366 P CB -0.205 31.579 31.700 0.141 0.000 0.788 367 T N -0.444 114.171 114.554 0.102 0.000 2.821 367 T HA -0.079 4.271 4.350 -0.000 0.000 0.267 367 T C 1.822 176.641 174.700 0.198 0.000 1.046 367 T CA 0.998 63.176 62.100 0.130 0.000 1.139 367 T CB -0.866 68.035 68.868 0.055 0.000 0.871 367 T HN 0.061 nan 8.240 nan 0.000 0.454 368 I N 0.087 120.752 120.570 0.157 0.000 2.179 368 I HA -0.133 4.037 4.170 -0.000 0.000 0.242 368 I C 2.130 178.342 176.117 0.159 0.000 1.088 368 I CA 1.443 62.865 61.300 0.204 0.000 1.357 368 I CB -0.395 37.627 38.000 0.036 0.000 1.051 368 I HN 0.163 nan 8.210 nan 0.000 0.409 369 F N 1.796 121.697 119.950 -0.082 0.000 2.095 369 F HA -0.341 4.186 4.527 -0.000 0.000 0.298 369 F C 2.921 178.779 175.800 0.097 0.000 1.104 369 F CA 2.170 60.132 58.000 -0.063 0.000 1.232 369 F CB -0.073 38.819 39.000 -0.180 0.000 0.987 369 F HN 0.131 nan 8.300 nan 0.000 0.475 370 S N 0.485 116.448 115.700 0.439 0.000 2.355 370 S HA -0.196 4.274 4.470 -0.000 0.000 0.222 370 S C 1.988 176.853 174.600 0.440 0.000 1.031 370 S CA 1.363 59.794 58.200 0.386 0.000 0.993 370 S CB -1.125 62.278 63.200 0.339 0.000 0.859 370 S HN 0.438 nan 8.310 nan 0.000 0.453 371 L N 1.778 123.284 121.223 0.471 0.000 2.079 371 L HA -0.035 4.304 4.340 -0.000 0.000 0.210 371 L C 3.002 180.159 176.870 0.479 0.000 1.081 371 L CA 1.260 56.348 54.840 0.413 0.000 0.752 371 L CB -1.372 40.880 42.059 0.321 0.000 0.896 371 L HN 0.529 nan 8.230 nan 0.000 0.433 372 G N 1.019 110.082 108.800 0.439 0.000 2.446 372 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.217 372 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.217 372 G C 1.498 176.667 174.900 0.449 0.000 1.168 372 G CA 1.250 46.565 45.100 0.358 0.000 0.771 372 G HN 0.525 nan 8.290 nan 0.000 0.551 373 I N -2.079 118.712 120.570 0.368 0.000 2.260 373 I HA 0.204 4.373 4.170 -0.000 0.000 0.237 373 I C 0.341 176.649 176.117 0.319 0.000 1.075 373 I CA 0.149 61.652 61.300 0.338 0.000 1.376 373 I CB -0.475 37.706 38.000 0.302 0.000 1.107 373 I HN -0.251 nan 8.210 nan 0.000 0.420 374 K N 4.688 125.230 120.400 0.237 0.000 2.321 374 K HA -0.057 4.263 4.320 -0.000 0.000 0.266 374 K C -0.860 175.820 176.600 0.133 0.000 1.215 374 K CA 0.531 56.898 56.287 0.133 0.000 1.225 374 K CB -1.299 31.226 32.500 0.043 0.000 0.827 374 K HN 0.667 nan 8.250 nan 0.000 0.478 375 N N 2.560 121.335 118.700 0.124 0.000 2.310 375 N HA 0.222 4.962 4.740 -0.000 0.000 0.292 375 N C -0.013 175.563 175.510 0.110 0.000 1.049 375 N CA -0.779 52.331 53.050 0.100 0.000 0.849 375 N CB 1.158 39.664 38.487 0.032 0.000 1.532 375 N HN 0.278 nan 8.380 nan 0.000 0.479 376 L N 0.795 122.066 121.223 0.081 0.000 2.701 376 L HA 0.341 4.681 4.340 -0.000 0.000 0.238 376 L C 1.550 178.417 176.870 -0.005 0.000 1.106 376 L CA 0.304 55.157 54.840 0.021 0.000 0.898 376 L CB -0.264 41.782 42.059 -0.022 0.000 1.188 376 L HN 0.902 nan 8.230 nan 0.000 0.508 377 G N 1.728 110.539 108.800 0.019 0.000 2.660 377 G HA2 -0.481 3.479 3.960 -0.000 0.000 0.321 377 G HA3 -0.481 3.479 3.960 -0.000 0.000 0.321 377 G C 0.939 175.833 174.900 -0.011 0.000 1.246 377 G CA 0.978 46.084 45.100 0.009 0.000 1.000 377 G HN 0.479 nan 8.290 nan 0.000 0.550 378 Q N -0.447 119.329 119.800 -0.041 0.000 2.133 378 Q HA -0.137 4.203 4.340 -0.000 0.000 0.208 378 Q C 1.589 177.530 176.000 -0.099 0.000 0.991 378 Q CA 2.304 58.061 55.803 -0.076 0.000 0.867 378 Q CB -0.366 28.335 28.738 -0.062 0.000 0.911 378 Q HN 0.619 nan 8.270 nan 0.000 0.417 379 D N 0.417 120.765 120.400 -0.087 0.000 2.349 379 D HA -0.003 4.637 4.640 -0.000 0.000 0.224 379 D C 1.291 177.535 176.300 -0.094 0.000 1.029 379 D CA 0.732 54.664 54.000 -0.113 0.000 0.879 379 D CB -0.008 40.676 40.800 -0.192 0.000 0.906 379 D HN 0.292 nan 8.370 nan 0.000 0.528 380 T N 1.161 115.699 114.554 -0.028 0.000 2.665 380 T HA -0.165 4.185 4.350 -0.000 0.000 0.268 380 T C 1.893 176.654 174.700 0.101 0.000 1.035 380 T CA 1.087 63.232 62.100 0.074 0.000 1.151 380 T CB 0.124 69.092 68.868 0.167 0.000 0.862 380 T HN 0.154 nan 8.240 nan 0.000 0.438 381 K N 0.418 120.809 120.400 -0.015 0.000 2.009 381 K HA -0.097 4.222 4.320 -0.000 0.000 0.210 381 K C 2.147 178.736 176.600 -0.019 0.000 1.049 381 K CA 1.515 57.744 56.287 -0.097 0.000 0.929 381 K CB -0.696 31.544 32.500 -0.433 0.000 0.714 381 K HN 0.406 nan 8.250 nan 0.000 0.440 382 Y N 0.893 121.188 120.300 -0.009 0.000 2.314 382 Y HA -0.045 4.504 4.550 -0.000 0.000 0.293 382 Y C 2.608 178.604 175.900 0.160 0.000 1.129 382 Y CA 0.843 58.938 58.100 -0.007 0.000 1.201 382 Y CB -1.172 37.176 38.460 -0.187 0.000 0.999 382 Y HN 0.193 nan 8.280 nan 0.000 0.541 383 G N -1.033 107.876 108.800 0.183 0.000 2.418 383 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.217 383 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.217 383 G C 1.909 177.125 174.900 0.527 0.000 1.158 383 G CA 1.266 46.511 45.100 0.240 0.000 0.771 383 G HN 0.384 nan 8.290 nan 0.000 0.545 384 S N 0.930 116.833 115.700 0.339 0.000 2.382 384 S HA -0.099 4.371 4.470 -0.000 0.000 0.228 384 S C 2.659 177.426 174.600 0.278 0.000 1.027 384 S CA 1.253 59.642 58.200 0.315 0.000 0.991 384 S CB -0.256 63.223 63.200 0.465 0.000 0.823 384 S HN 0.349 nan 8.310 nan 0.000 0.469 385 S N 1.030 116.871 115.700 0.235 0.000 2.387 385 S HA -0.061 4.409 4.470 -0.000 0.000 0.230 385 S C 1.439 175.996 174.600 -0.072 0.000 1.035 385 S CA 1.285 59.515 58.200 0.050 0.000 1.014 385 S CB -0.370 62.804 63.200 -0.044 0.000 0.836 385 S HN 0.510 nan 8.310 nan 0.000 0.466 386 F N 1.103 121.140 119.950 0.144 0.000 2.149 386 F HA 0.167 4.694 4.527 -0.000 0.000 0.294 386 F C 2.051 177.837 175.800 -0.023 0.000 1.095 386 F CA 0.415 58.459 58.000 0.073 0.000 1.276 386 F CB -0.508 38.620 39.000 0.214 0.000 1.023 386 F HN 0.113 nan 8.300 nan 0.000 0.480 387 I N -0.305 120.335 120.570 0.116 0.000 2.248 387 I HA -0.305 3.865 4.170 -0.000 0.000 0.248 387 I C 2.200 178.336 176.117 0.032 0.000 1.107 387 I CA 1.061 62.281 61.300 -0.134 0.000 1.373 387 I CB -0.679 36.965 38.000 -0.594 0.000 1.055 387 I HN -0.026 nan 8.210 nan 0.000 0.418 388 V N 0.540 120.545 119.914 0.151 0.000 2.427 388 V HA -0.284 3.835 4.120 -0.000 0.000 0.248 388 V C 2.416 178.635 176.094 0.209 0.000 1.051 388 V CA 1.832 64.300 62.300 0.281 0.000 1.048 388 V CB -0.499 31.508 31.823 0.306 0.000 0.666 388 V HN 0.405 nan 8.190 nan 0.000 0.456 389 M N 0.674 120.328 119.600 0.090 0.000 2.279 389 M HA -0.140 4.339 4.480 -0.000 0.000 0.264 389 M C 2.284 178.716 176.300 0.220 0.000 1.062 389 M CA 2.024 57.350 55.300 0.044 0.000 1.099 389 M CB -0.874 31.535 32.600 -0.317 0.000 1.394 389 M HN 0.602 nan 8.290 nan 0.000 0.426 390 T N -0.740 113.944 114.554 0.216 0.000 3.077 390 T HA -0.064 4.285 4.350 -0.000 0.000 0.269 390 T C 1.411 176.279 174.700 0.280 0.000 1.146 390 T CA 0.732 63.033 62.100 0.335 0.000 1.091 390 T CB -0.823 68.206 68.868 0.268 0.000 0.892 390 T HN 0.437 nan 8.240 nan 0.000 0.533 391 I N -0.141 120.537 120.570 0.181 0.000 2.700 391 I HA -0.047 4.123 4.170 -0.000 0.000 0.261 391 I C 2.054 178.200 176.117 0.049 0.000 1.219 391 I CA 0.513 61.848 61.300 0.058 0.000 1.463 391 I CB -0.469 37.446 38.000 -0.143 0.000 1.092 391 I HN 0.245 nan 8.210 nan 0.000 0.452 392 I N 1.484 122.108 120.570 0.090 0.000 2.530 392 I HA -0.182 3.988 4.170 -0.000 0.000 0.257 392 I C 2.446 178.643 176.117 0.133 0.000 1.179 392 I CA 1.082 62.409 61.300 0.045 0.000 1.440 392 I CB -0.828 37.292 38.000 0.200 0.000 1.087 392 I HN 0.145 nan 8.210 nan 0.000 0.440 393 G N -0.353 108.464 108.800 0.027 0.000 2.432 393 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.219 393 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.219 393 G C 1.809 176.523 174.900 -0.311 0.000 1.135 393 G CA 0.624 45.402 45.100 -0.536 0.000 0.767 393 G HN 0.500 nan 8.290 nan 0.000 0.550 394 G N 0.702 109.415 108.800 -0.145 0.000 2.475 394 G HA2 0.023 3.983 3.960 -0.000 0.000 0.220 394 G HA3 0.023 3.983 3.960 -0.000 0.000 0.220 394 G C 1.648 176.503 174.900 -0.075 0.000 1.125 394 G CA 1.412 46.438 45.100 -0.123 0.000 0.755 394 G HN 0.588 nan 8.290 nan 0.000 0.565 395 G N 0.707 109.537 108.800 0.049 0.000 2.411 395 G HA2 -0.004 3.956 3.960 -0.000 0.000 0.213 395 G HA3 -0.004 3.956 3.960 -0.000 0.000 0.213 395 G C 1.691 176.674 174.900 0.138 0.000 1.166 395 G CA 0.438 45.614 45.100 0.125 0.000 0.802 395 G HN 0.425 nan 8.290 nan 0.000 0.533 396 I N 0.566 121.209 120.570 0.122 0.000 2.614 396 I HA -0.077 4.093 4.170 -0.000 0.000 0.258 396 I C 2.565 178.715 176.117 0.056 0.000 1.189 396 I CA 0.166 61.541 61.300 0.125 0.000 1.462 396 I CB -0.010 38.113 38.000 0.206 0.000 1.092 396 I HN 0.082 nan 8.210 nan 0.000 0.442 397 V N 0.929 120.832 119.914 -0.020 0.000 2.453 397 V HA -0.236 3.884 4.120 -0.000 0.000 0.247 397 V C 2.455 178.565 176.094 0.027 0.000 1.048 397 V CA 2.580 64.859 62.300 -0.035 0.000 1.049 397 V CB -0.378 31.374 31.823 -0.119 0.000 0.672 397 V HN 0.484 nan 8.190 nan 0.000 0.457 398 T N 0.878 115.473 114.554 0.068 0.000 2.720 398 T HA -0.124 4.226 4.350 -0.000 0.000 0.268 398 T C -0.144 174.651 174.700 0.159 0.000 1.037 398 T CA 1.935 64.128 62.100 0.155 0.000 1.144 398 T CB -1.555 67.397 68.868 0.140 0.000 0.864 398 T HN 0.485 nan 8.240 nan 0.000 0.444 399 P HA -0.032 nan 4.420 nan 0.000 0.215 399 P C 1.734 179.127 177.300 0.156 0.000 1.153 399 P CA 0.666 63.842 63.100 0.128 0.000 0.853 399 P CB -0.339 31.415 31.700 0.089 0.000 0.788 400 V N -1.298 118.692 119.914 0.127 0.000 2.343 400 V HA -0.237 3.882 4.120 -0.000 0.000 0.247 400 V C 2.467 178.629 176.094 0.114 0.000 1.051 400 V CA 1.645 64.051 62.300 0.178 0.000 1.036 400 V CB -1.249 30.637 31.823 0.106 0.000 0.654 400 V HN 0.072 nan 8.190 nan 0.000 0.451 401 M N 0.879 120.465 119.600 -0.023 0.000 2.086 401 M HA -0.081 4.399 4.480 -0.000 0.000 0.261 401 M C 2.400 178.529 176.300 -0.284 0.000 1.067 401 M CA 2.240 57.375 55.300 -0.276 0.000 1.116 401 M CB -1.607 30.697 32.600 -0.495 0.000 1.348 401 M HN 0.490 nan 8.290 nan 0.000 0.407 402 G N -0.293 108.498 108.800 -0.015 0.000 2.421 402 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.216 402 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.216 402 G C 1.392 176.343 174.900 0.084 0.000 1.171 402 G CA 0.766 45.937 45.100 0.119 0.000 0.775 402 G HN 0.420 nan 8.290 nan 0.000 0.543 403 F N 1.646 121.595 119.950 -0.002 0.000 2.026 403 F HA -0.131 4.395 4.527 -0.000 0.000 0.296 403 F C 2.638 178.427 175.800 -0.019 0.000 1.133 403 F CA 1.953 59.953 58.000 -0.001 0.000 1.188 403 F CB -0.724 38.279 39.000 0.004 0.000 0.968 403 F HN 0.001 nan 8.300 nan 0.000 0.476 404 V N 0.145 119.748 119.914 -0.517 0.000 2.332 404 V HA -0.304 3.816 4.120 -0.000 0.000 0.248 404 V C 2.765 178.639 176.094 -0.367 0.000 1.055 404 V CA 2.009 63.950 62.300 -0.600 0.000 1.038 404 V CB -1.326 30.346 31.823 -0.253 0.000 0.651 404 V HN 0.623 nan 8.190 nan 0.000 0.450 405 S N -0.067 115.483 115.700 -0.250 0.000 2.359 405 S HA -0.297 4.173 4.470 -0.000 0.000 0.222 405 S C 1.831 176.351 174.600 -0.132 0.000 1.038 405 S CA 2.269 60.365 58.200 -0.174 0.000 1.051 405 S CB -0.540 62.569 63.200 -0.152 0.000 0.944 405 S HN 0.689 nan 8.310 nan 0.000 0.433 406 D N 0.916 121.249 120.400 -0.113 0.000 2.183 406 D HA 0.027 4.667 4.640 -0.000 0.000 0.203 406 D C 2.154 178.386 176.300 -0.113 0.000 0.969 406 D CA 1.106 55.064 54.000 -0.069 0.000 0.842 406 D CB -0.301 40.493 40.800 -0.010 0.000 0.957 406 D HN 0.559 nan 8.370 nan 0.000 0.484 407 A N 0.851 123.533 122.820 -0.230 0.000 2.121 407 A HA 0.086 4.406 4.320 -0.000 0.000 0.218 407 A C 2.087 179.567 177.584 -0.173 0.000 1.154 407 A CA 1.582 53.471 52.037 -0.248 0.000 0.679 407 A CB -0.053 18.629 19.000 -0.530 0.000 0.795 407 A HN 0.246 nan 8.150 nan 0.000 0.458 408 A N -2.802 119.922 122.820 -0.160 0.000 2.167 408 A HA 0.463 4.783 4.320 -0.000 0.000 0.208 408 A C 1.792 179.333 177.584 -0.072 0.000 1.198 408 A CA 1.115 53.087 52.037 -0.109 0.000 0.863 408 A CB -0.185 18.745 19.000 -0.115 0.000 0.904 408 A HN 1.739 nan 8.150 nan 0.000 0.484 409 G N -0.324 108.434 108.800 -0.070 0.000 2.176 409 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.232 409 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.232 409 G C -0.170 174.700 174.900 -0.050 0.000 0.986 409 G CA 0.587 45.658 45.100 -0.049 0.000 0.643 409 G HN 1.477 nan 8.290 nan 0.000 0.522 410 N N -1.482 117.181 118.700 -0.062 0.000 2.710 410 N HA 0.623 5.362 4.740 -0.000 0.000 0.257 410 N C 0.690 176.156 175.510 -0.073 0.000 1.327 410 N CA -0.777 52.230 53.050 -0.072 0.000 0.861 410 N CB 0.387 38.823 38.487 -0.084 0.000 1.532 410 N HN -0.117 nan 8.380 nan 0.000 0.499 411 I N -0.596 119.929 120.570 -0.076 0.000 2.286 411 I HA 0.029 4.199 4.170 -0.000 0.000 0.245 411 I C -0.917 175.207 176.117 0.011 0.000 1.104 411 I CA 0.472 61.760 61.300 -0.019 0.000 1.397 411 I CB -2.220 35.821 38.000 0.067 0.000 1.072 411 I HN 0.509 nan 8.210 nan 0.000 0.417 412 P HA -0.138 nan 4.420 nan 0.000 0.215 412 P C 1.859 179.158 177.300 -0.002 0.000 1.153 412 P CA 2.128 65.279 63.100 0.085 0.000 0.853 412 P CB -0.295 31.396 31.700 -0.016 0.000 0.788 413 T N -2.622 111.907 114.554 -0.042 0.000 2.881 413 T HA -0.108 4.242 4.350 -0.000 0.000 0.270 413 T C 1.856 176.505 174.700 -0.086 0.000 1.068 413 T CA 1.282 63.346 62.100 -0.061 0.000 1.131 413 T CB -1.137 67.710 68.868 -0.035 0.000 0.871 413 T HN 0.015 nan 8.240 nan 0.000 0.479 414 A N 1.859 124.622 122.820 -0.096 0.000 1.969 414 A HA -0.048 4.272 4.320 -0.000 0.000 0.218 414 A C 2.335 179.856 177.584 -0.105 0.000 1.169 414 A CA 1.252 53.210 52.037 -0.132 0.000 0.635 414 A CB -0.520 18.351 19.000 -0.215 0.000 0.810 414 A HN 0.485 nan 8.150 nan 0.000 0.445 415 E N 0.155 120.317 120.200 -0.063 0.000 2.396 415 E HA -0.136 4.214 4.350 -0.000 0.000 0.200 415 E C 1.703 178.260 176.600 -0.072 0.000 1.023 415 E CA 0.474 56.847 56.400 -0.045 0.000 0.857 415 E CB -0.397 29.300 29.700 -0.004 0.000 0.775 415 E HN 0.715 nan 8.360 nan 0.000 0.525 416 L N 0.121 121.279 121.223 -0.108 0.000 2.201 416 L HA -0.135 4.205 4.340 -0.000 0.000 0.212 416 L C 2.353 179.200 176.870 -0.039 0.000 1.105 416 L CA 0.648 55.430 54.840 -0.096 0.000 0.775 416 L CB -0.304 41.701 42.059 -0.090 0.000 0.913 416 L HN 0.132 nan 8.230 nan 0.000 0.440 417 I N -0.060 120.480 120.570 -0.051 0.000 2.142 417 I HA -0.197 3.973 4.170 -0.000 0.000 0.240 417 I C -0.212 175.858 176.117 -0.078 0.000 1.078 417 I CA 1.403 62.673 61.300 -0.050 0.000 1.343 417 I CB -1.577 36.383 38.000 -0.066 0.000 1.046 417 I HN 0.202 nan 8.210 nan 0.000 0.405 418 P HA -0.216 nan 4.420 nan 0.000 0.214 418 P C 1.582 178.826 177.300 -0.093 0.000 1.163 418 P CA 2.140 65.130 63.100 -0.183 0.000 0.889 418 P CB -0.120 31.583 31.700 0.004 0.000 0.790 419 A N -0.456 122.473 122.820 0.182 0.000 1.915 419 A HA -0.254 4.066 4.320 -0.000 0.000 0.220 419 A C 2.186 179.872 177.584 0.170 0.000 1.198 419 A CA 2.207 54.410 52.037 0.277 0.000 0.647 419 A CB -1.839 17.224 19.000 0.105 0.000 0.825 419 A HN 0.219 nan 8.150 nan 0.000 0.456 420 L N -0.458 120.804 121.223 0.065 0.000 2.131 420 L HA -0.155 4.185 4.340 -0.000 0.000 0.210 420 L C 2.444 179.343 176.870 0.049 0.000 1.092 420 L CA 2.048 56.925 54.840 0.061 0.000 0.759 420 L CB -0.865 41.217 42.059 0.037 0.000 0.903 420 L HN 0.500 nan 8.230 nan 0.000 0.435 421 C N -0.852 118.410 119.300 -0.062 0.000 2.473 421 C HA -0.125 4.335 4.460 -0.000 0.000 0.279 421 C C 2.473 177.454 174.990 -0.016 0.000 1.250 421 C CA 0.696 59.639 59.018 -0.125 0.000 1.713 421 C CB -1.283 26.236 27.740 -0.369 0.000 2.066 421 C HN 0.566 nan 8.230 nan 0.000 0.474 422 F N 2.117 122.143 119.950 0.127 0.000 2.154 422 F HA -0.172 4.355 4.527 -0.000 0.000 0.301 422 F C 2.483 178.408 175.800 0.209 0.000 1.087 422 F CA 1.395 59.500 58.000 0.175 0.000 1.274 422 F CB -1.326 37.751 39.000 0.128 0.000 1.009 422 F HN 0.215 nan 8.300 nan 0.000 0.485 423 A N 0.507 123.531 122.820 0.340 0.000 1.849 423 A HA -0.197 4.123 4.320 -0.000 0.000 0.217 423 A C 2.429 180.225 177.584 0.353 0.000 1.202 423 A CA 2.535 54.751 52.037 0.298 0.000 0.629 423 A CB -1.361 17.763 19.000 0.207 0.000 0.834 423 A HN 0.150 nan 8.150 nan 0.000 0.447 424 V N 0.273 120.354 119.914 0.279 0.000 2.278 424 V HA -0.369 3.751 4.120 -0.000 0.000 0.251 424 V C 2.447 178.758 176.094 0.361 0.000 1.062 424 V CA 2.444 64.922 62.300 0.297 0.000 1.038 424 V CB -0.997 30.971 31.823 0.242 0.000 0.646 424 V HN 0.576 nan 8.190 nan 0.000 0.447 425 I N -0.552 120.238 120.570 0.366 0.000 2.194 425 I HA -0.294 3.875 4.170 -0.000 0.000 0.246 425 I C 2.315 178.694 176.117 0.436 0.000 1.093 425 I CA 2.198 63.754 61.300 0.427 0.000 1.355 425 I CB -0.538 37.719 38.000 0.428 0.000 1.046 425 I HN 0.385 nan 8.210 nan 0.000 0.413 426 F N 1.545 121.654 119.950 0.264 0.000 2.126 426 F HA -0.231 4.296 4.527 -0.000 0.000 0.299 426 F C 2.137 178.010 175.800 0.121 0.000 1.096 426 F CA 1.569 59.676 58.000 0.178 0.000 1.255 426 F CB -0.350 38.734 39.000 0.139 0.000 0.997 426 F HN -0.095 nan 8.300 nan 0.000 0.479 427 I N 0.104 120.594 120.570 -0.134 0.000 2.163 427 I HA -0.276 3.894 4.170 -0.000 0.000 0.243 427 I C 2.307 178.268 176.117 -0.260 0.000 1.085 427 I CA 1.679 62.773 61.300 -0.343 0.000 1.347 427 I CB -1.132 36.790 38.000 -0.129 0.000 1.044 427 I HN 0.300 nan 8.210 nan 0.000 0.408 428 F N 1.722 121.630 119.950 -0.069 0.000 2.069 428 F HA -0.288 4.239 4.527 -0.000 0.000 0.298 428 F C 2.476 178.271 175.800 -0.009 0.000 1.113 428 F CA 1.527 59.555 58.000 0.047 0.000 1.214 428 F CB -0.984 38.169 39.000 0.254 0.000 0.978 428 F HN 0.055 nan 8.300 nan 0.000 0.474 429 A N 0.834 123.444 122.820 -0.350 0.000 1.896 429 A HA -0.273 4.047 4.320 -0.000 0.000 0.220 429 A C 2.058 179.429 177.584 -0.356 0.000 1.206 429 A CA 2.013 53.815 52.037 -0.393 0.000 0.647 429 A CB -0.976 17.976 19.000 -0.080 0.000 0.828 429 A HN 0.521 nan 8.150 nan 0.000 0.455 430 R N -2.467 117.786 120.500 -0.411 0.000 4.464 430 R HA 0.392 4.732 4.340 -0.000 0.000 0.229 430 R C -0.592 175.598 176.300 -0.183 0.000 1.916 430 R CA 0.092 56.005 56.100 -0.312 0.000 1.601 430 R CB -0.491 29.552 30.300 -0.428 0.000 1.315 430 R HN 0.597 nan 8.270 nan 0.000 0.725 431 F N -0.630 119.019 119.950 -0.501 0.000 3.017 431 F HA 0.037 4.564 4.527 -0.000 0.000 0.309 431 F C 0.889 176.428 175.800 -0.436 0.000 1.243 431 F CA -0.449 57.261 58.000 -0.483 0.000 0.845 431 F CB 0.278 38.892 39.000 -0.643 0.000 1.642 431 F HN -0.001 nan 8.300 nan 0.000 0.482 432 R N 0.035 120.189 120.500 -0.576 0.000 2.310 432 R HA 0.325 4.665 4.340 -0.000 0.000 0.202 432 R C 0.358 176.445 176.300 -0.354 0.000 0.933 432 R CA 0.570 56.316 56.100 -0.592 0.000 1.054 432 R CB -0.717 29.098 30.300 -0.809 0.000 0.985 432 R HN 0.057 nan 8.270 nan 0.000 0.489 433 S N 1.195 116.656 115.700 -0.398 0.000 2.589 433 S HA 0.174 4.644 4.470 -0.000 0.000 0.265 433 S C -0.002 174.431 174.600 -0.278 0.000 1.342 433 S CA -0.490 57.495 58.200 -0.358 0.000 1.005 433 S CB 0.676 63.681 63.200 -0.325 0.000 0.909 433 S HN 0.513 nan 8.310 nan 0.000 0.555 434 Q N -0.386 119.269 119.800 -0.241 0.000 2.943 434 Q HA 0.523 4.863 4.340 -0.000 0.000 0.328 434 Q C -0.230 175.715 176.000 -0.092 0.000 0.934 434 Q CA -0.392 55.325 55.803 -0.144 0.000 0.782 434 Q CB -0.420 28.165 28.738 -0.256 0.000 1.470 434 Q HN 0.994 nan 8.270 nan 0.000 0.503 435 T N 0.000 114.530 114.554 -0.040 0.000 3.816 435 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 435 T CA 0.000 62.080 62.100 -0.034 0.000 1.349 435 T CB 0.000 68.842 68.868 -0.043 0.000 0.612 435 T HN 0.000 nan 8.240 nan 0.000 0.658