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 2x1g_1_F DATA FIRST_RESID 11 DATA SEQUENCE EAVVSFYRSN SQNXXXXHEW LTDAEASPQA WQFSWQLMQL GKSQEVQFFG DATA SEQUENCE AITLHSKLMK HWHEVPPENR EELKQKILES IVRFAGGPKI VLNRLCISLG DATA SEQUENCE AYIVHMLGXX XXXXEEVINT FQNQRXXXXS ADVQLWIMLE VLTAIPEEAQ DATA SEQUENCE VIHTSVKRVV LRAEIAKRVQ LVIHTVERYL KLQMNRVWDA EAYSNMNRAV DATA SEQUENCE KCVGTWIKNI GYTIEGCVTI TAVLLEVVHK CYWPCIHXXX GCMTADENEL DATA SEQUENCE AESCLKTMVN IIIQPDCHNY PKTAFVLIKM FLDSLSEITK TEWKRENDNE DATA SEQUENCE DIIVHIYMLF VSSVERHSTL LLSGITSADP ELSILVHRIV QEILHCTDKP DATA SEQUENCE GIYPVEESCS TMALAFWYML QDEVFAXXXX XXXHKCWEYI KPLYAHLTRI DATA SEQUENCE LVRKSEQPDE KSLAKWSSDD LECFRCYRQD ISDTFMYCYD VLNDYILEIL DATA SEQUENCE AAMLDEAIAD LQRHPTHWTK LEACIYSFQS VAEHXXXXXX RQIPRLMRVL DATA SEQUENCE AEIPYEKLNV KLLGTALETM GSYCNWLMXX XXYIPPAINL LVRGLNSSMS DATA SEQUENCE AQATLGLKEL CRDCQLQLKP YADPLLNACH ASLNTGRMKN SDSVRLMFSI DATA SEQUENCE GKLMSLLRPE EIPKYLDIIV SPCFEELQAI CQAXXXTPAA RIRTIFRLNM DATA SEQUENCE ISTLFSSLNT XXXXXXXXXX XXXPVLLVMQ RTMPIFKRIA EMWVEEIDVL DATA SEQUENCE EAACSAMKHA ITNLRSXXQP MLQDLCLFIV ASFQXXCCAP TLEISKTAIV DATA SEQUENCE MFFXXXXXKP LMQQLLREFI QHSFKLFEST PEQNFSNISD TMETFFGCLT DATA SEQUENCE QIIKKIPQVL EDKTLAYDRL VFYAQRGMTL PESGAIRNSI QFLTHFVMQS DATA SEQUENCE RNHAHVTEVV LATGEQTLYT AMMCVGYLTP RSQVDKFADI LLAMNRKYAA DATA SEQUENCE EMAVWMKSLM STPNFPTQLI TDADKTRYTA LIIKEKVNKR LLQQHLSEMA DATA SEQUENCE MKTRG 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 11 E HA 0.000 nan 4.350 nan 0.000 0.291 11 E C 0.000 176.603 176.600 0.006 0.000 1.382 11 E CA 0.000 56.414 56.400 0.023 0.000 0.976 11 E CB 0.000 29.717 29.700 0.029 0.000 0.812 12 A N 0.361 123.176 122.820 -0.007 0.000 2.119 12 A HA 0.300 4.635 4.320 0.025 0.000 0.216 12 A C 2.405 179.965 177.584 -0.040 0.000 1.152 12 A CA 1.488 53.497 52.037 -0.047 0.000 0.708 12 A CB -0.416 18.510 19.000 -0.123 0.000 0.805 12 A HN 0.800 nan 8.150 nan 0.000 0.460 13 V N -0.116 119.770 119.914 -0.047 0.000 2.660 13 V HA -0.258 3.877 4.120 0.025 0.000 0.257 13 V C 2.490 178.662 176.094 0.130 0.000 1.088 13 V CA 1.928 64.186 62.300 -0.071 0.000 1.106 13 V CB -0.880 30.807 31.823 -0.227 0.000 0.686 13 V HN 0.420 nan 8.190 nan 0.000 0.481 14 V N 0.502 120.478 119.914 0.103 0.000 2.332 14 V HA -0.282 3.853 4.120 0.025 0.000 0.248 14 V C 2.889 179.054 176.094 0.118 0.000 1.055 14 V CA 2.430 64.804 62.300 0.124 0.000 1.038 14 V CB -1.317 30.530 31.823 0.039 0.000 0.651 14 V HN 0.702 nan 8.190 nan 0.000 0.450 15 S N -0.652 115.074 115.700 0.043 0.000 2.370 15 S HA -0.225 4.260 4.470 0.025 0.000 0.226 15 S C 2.123 176.731 174.600 0.013 0.000 1.033 15 S CA 2.275 60.483 58.200 0.013 0.000 1.011 15 S CB -0.891 62.290 63.200 -0.032 0.000 0.852 15 S HN 0.662 nan 8.310 nan 0.000 0.457 16 F N -0.245 119.700 119.950 -0.008 0.000 2.216 16 F HA 0.064 4.606 4.527 0.025 0.000 0.300 16 F C 2.306 178.045 175.800 -0.102 0.000 1.085 16 F CA 1.397 59.351 58.000 -0.078 0.000 1.326 16 F CB -1.500 37.408 39.000 -0.153 0.000 1.027 16 F HN 0.469 nan 8.300 nan 0.000 0.497 17 Y N -0.433 119.854 120.300 -0.021 0.000 2.403 17 Y HA -0.082 4.482 4.550 0.025 0.000 0.291 17 Y C 2.405 178.308 175.900 0.005 0.000 1.143 17 Y CA 1.252 59.355 58.100 0.005 0.000 1.257 17 Y CB -0.155 38.316 38.460 0.019 0.000 0.984 17 Y HN 0.093 nan 8.280 nan 0.000 0.550 18 R N -0.522 120.042 120.500 0.107 0.000 2.276 18 R HA 0.242 4.597 4.340 0.025 0.000 0.196 18 R C 0.567 176.881 176.300 0.024 0.000 0.961 18 R CA 0.926 57.064 56.100 0.063 0.000 1.024 18 R CB -0.145 30.184 30.300 0.047 0.000 0.940 18 R HN 0.223 nan 8.270 nan 0.000 0.480 19 S N -0.759 114.940 115.700 -0.002 0.000 2.680 19 S HA 0.275 4.760 4.470 0.025 0.000 0.153 19 S C 0.616 175.187 174.600 -0.048 0.000 1.224 19 S CA 0.174 58.363 58.200 -0.019 0.000 1.197 19 S CB -0.772 62.419 63.200 -0.016 0.000 1.634 19 S HN 0.226 nan 8.310 nan 0.000 0.422 20 N N 1.371 120.026 118.700 -0.075 0.000 2.069 20 N HA -0.027 4.728 4.740 0.025 0.000 0.191 20 N C 2.326 177.797 175.510 -0.065 0.000 1.031 20 N CA 2.757 55.739 53.050 -0.114 0.000 0.852 20 N CB -1.013 37.382 38.487 -0.153 0.000 1.018 20 N HN 1.086 nan 8.380 nan 0.000 0.423 21 S N 0.689 116.366 115.700 -0.039 0.000 2.344 21 S HA -0.189 4.296 4.470 0.025 0.000 0.217 21 S C 2.048 176.639 174.600 -0.014 0.000 1.033 21 S CA 1.994 60.182 58.200 -0.020 0.000 1.017 21 S CB -0.450 62.745 63.200 -0.009 0.000 0.941 21 S HN 0.710 nan 8.310 nan 0.000 0.430 22 Q N 1.477 121.269 119.800 -0.013 0.000 2.444 22 Q HA 0.319 4.674 4.340 0.025 0.000 0.206 22 Q C 0.939 176.931 176.000 -0.012 0.000 0.948 22 Q CA 0.394 56.192 55.803 -0.008 0.000 0.946 22 Q CB -1.484 27.251 28.738 -0.006 0.000 1.027 22 Q HN 0.824 nan 8.270 nan 0.000 0.513 29 E N 0.301 120.553 120.200 0.086 0.000 2.136 29 E HA -0.254 4.111 4.350 0.025 0.000 0.208 29 E C 2.045 178.723 176.600 0.130 0.000 1.035 29 E CA 2.506 58.962 56.400 0.094 0.000 0.838 29 E CB -1.306 28.448 29.700 0.089 0.000 0.748 29 E HN 0.870 nan 8.360 nan 0.000 0.459 30 W N 0.674 121.973 121.300 -0.001 0.000 2.329 30 W HA -0.070 4.605 4.660 0.025 0.000 0.324 30 W C 3.058 179.592 176.519 0.026 0.000 1.222 30 W CA 3.554 60.902 57.345 0.005 0.000 1.270 30 W CB -0.769 28.680 29.460 -0.018 0.000 1.167 30 W HN 0.500 nan 8.180 nan 0.000 0.467 31 L N -0.513 120.864 121.223 0.257 0.000 2.051 31 L HA -0.259 4.096 4.340 0.025 0.000 0.214 31 L C 2.149 179.103 176.870 0.140 0.000 1.076 31 L CA 3.279 58.177 54.840 0.097 0.000 0.758 31 L CB -2.104 39.934 42.059 -0.034 0.000 0.890 31 L HN 0.285 nan 8.230 nan 0.000 0.433 32 T N -1.049 113.577 114.554 0.120 0.000 2.652 32 T HA -0.204 4.161 4.350 0.025 0.000 0.267 32 T C 1.778 176.507 174.700 0.048 0.000 1.039 32 T CA 1.529 63.699 62.100 0.117 0.000 1.153 32 T CB -0.512 68.401 68.868 0.075 0.000 0.863 32 T HN 0.746 nan 8.240 nan 0.000 0.428 33 D N 0.956 121.345 120.400 -0.019 0.000 2.263 33 D HA 0.004 4.659 4.640 0.025 0.000 0.208 33 D C 2.065 178.327 176.300 -0.064 0.000 0.971 33 D CA 0.791 54.763 54.000 -0.046 0.000 0.867 33 D CB -0.129 40.628 40.800 -0.071 0.000 0.929 33 D HN 0.417 nan 8.370 nan 0.000 0.492 34 A N 0.793 123.537 122.820 -0.127 0.000 2.119 34 A HA -0.137 4.198 4.320 0.025 0.000 0.217 34 A C 1.993 179.705 177.584 0.213 0.000 1.153 34 A CA 0.874 52.864 52.037 -0.079 0.000 0.692 34 A CB -0.270 18.522 19.000 -0.348 0.000 0.799 34 A HN 0.172 nan 8.150 nan 0.000 0.458 35 E N -0.466 119.825 120.200 0.150 0.000 2.435 35 E HA 0.139 4.504 4.350 0.025 0.000 0.195 35 E C 1.761 178.376 176.600 0.024 0.000 1.029 35 E CA 0.612 57.046 56.400 0.056 0.000 0.865 35 E CB -0.073 29.594 29.700 -0.055 0.000 0.833 35 E HN 0.547 nan 8.360 nan 0.000 0.510 36 A N 0.656 123.525 122.820 0.082 0.000 1.911 36 A HA 0.218 4.553 4.320 0.025 0.000 0.212 36 A C 1.618 179.324 177.584 0.202 0.000 1.189 36 A CA 0.744 52.854 52.037 0.121 0.000 0.639 36 A CB -0.539 18.491 19.000 0.051 0.000 0.839 36 A HN 0.329 nan 8.150 nan 0.000 0.449 37 S N 1.246 117.033 115.700 0.146 0.000 2.549 37 S HA 0.380 4.865 4.470 0.025 0.000 0.286 37 S C -0.647 174.039 174.600 0.142 0.000 1.314 37 S CA -0.910 57.347 58.200 0.095 0.000 1.062 37 S CB -0.136 63.106 63.200 0.070 0.000 0.865 37 S HN 0.219 nan 8.310 nan 0.000 0.498 38 P HA -0.179 nan 4.420 nan 0.000 0.221 38 P C 1.364 178.612 177.300 -0.086 0.000 1.141 38 P CA 1.789 64.590 63.100 -0.499 0.000 0.794 38 P CB -0.127 31.274 31.700 -0.499 0.000 0.764 39 Q N 0.057 119.892 119.800 0.059 0.000 2.364 39 Q HA 0.081 4.436 4.340 0.025 0.000 0.207 39 Q C 2.336 178.316 176.000 -0.034 0.000 0.970 39 Q CA 1.554 57.435 55.803 0.131 0.000 0.888 39 Q CB -1.487 27.394 28.738 0.237 0.000 0.951 39 Q HN 0.372 nan 8.270 nan 0.000 0.469 40 A N 0.025 122.770 122.820 -0.126 0.000 1.978 40 A HA -0.154 4.181 4.320 0.025 0.000 0.220 40 A C 2.110 179.215 177.584 -0.798 0.000 1.170 40 A CA 1.340 52.731 52.037 -1.076 0.000 0.636 40 A CB -0.811 17.983 19.000 -0.343 0.000 0.810 40 A HN 0.855 nan 8.150 nan 0.000 0.448 41 W N -1.155 119.859 121.300 -0.476 0.000 2.409 41 W HA -0.125 4.550 4.660 0.025 0.000 0.299 41 W C 3.093 179.628 176.519 0.027 0.000 1.203 41 W CA 1.095 58.335 57.345 -0.175 0.000 1.298 41 W CB -0.518 28.933 29.460 -0.015 0.000 1.127 41 W HN 0.630 nan 8.180 nan 0.000 0.528 42 Q N 1.178 121.126 119.800 0.247 0.000 2.123 42 Q HA -0.189 4.166 4.340 0.025 0.000 0.199 42 Q C 1.548 177.729 176.000 0.303 0.000 0.966 42 Q CA 1.828 57.791 55.803 0.267 0.000 0.845 42 Q CB -1.535 27.318 28.738 0.191 0.000 0.907 42 Q HN 0.525 nan 8.270 nan 0.000 0.439 43 F N 0.935 121.012 119.950 0.211 0.000 2.512 43 F HA 0.123 4.665 4.527 0.025 0.000 0.296 43 F C 2.320 178.172 175.800 0.086 0.000 1.110 43 F CA 0.850 58.940 58.000 0.150 0.000 1.446 43 F CB -0.782 38.292 39.000 0.123 0.000 1.092 43 F HN 0.225 nan 8.300 nan 0.000 0.554 44 S N 0.716 116.418 115.700 0.004 0.000 2.354 44 S HA -0.280 4.205 4.470 0.025 0.000 0.219 44 S C 1.693 176.230 174.600 -0.105 0.000 1.035 44 S CA 1.513 59.614 58.200 -0.164 0.000 1.037 44 S CB -1.719 61.047 63.200 -0.724 0.000 0.956 44 S HN 0.582 nan 8.310 nan 0.000 0.428 45 W N 2.589 123.904 121.300 0.025 0.000 2.364 45 W HA 0.091 4.766 4.660 0.025 0.000 0.281 45 W C 3.362 179.944 176.519 0.105 0.000 1.219 45 W CA 1.093 58.470 57.345 0.052 0.000 1.220 45 W CB -1.269 28.210 29.460 0.033 0.000 1.127 45 W HN 0.621 nan 8.180 nan 0.000 0.556 46 Q N 0.401 120.412 119.800 0.352 0.000 2.137 46 Q HA 0.045 4.399 4.340 0.025 0.000 0.198 46 Q C 1.979 178.114 176.000 0.223 0.000 0.960 46 Q CA 1.443 57.404 55.803 0.263 0.000 0.847 46 Q CB -0.958 27.929 28.738 0.249 0.000 0.915 46 Q HN 0.403 nan 8.270 nan 0.000 0.448 47 L N 0.257 121.623 121.223 0.239 0.000 2.362 47 L HA 0.155 4.510 4.340 0.025 0.000 0.219 47 L C 1.810 178.788 176.870 0.180 0.000 1.134 47 L CA 1.662 56.625 54.840 0.205 0.000 0.807 47 L CB -0.047 42.166 42.059 0.257 0.000 0.927 47 L HN 0.668 nan 8.230 nan 0.000 0.447 48 M N -1.809 117.904 119.600 0.188 0.000 3.043 48 M HA 0.490 4.985 4.480 0.025 0.000 0.309 48 M C 0.176 176.695 176.300 0.365 0.000 1.202 48 M CA -0.213 55.239 55.300 0.252 0.000 0.869 48 M CB -0.420 32.244 32.600 0.107 0.000 1.327 48 M HN 0.041 nan 8.290 nan 0.000 0.524 49 Q N 1.458 121.402 119.800 0.240 0.000 2.247 49 Q HA 0.696 5.051 4.340 0.025 0.000 0.184 49 Q C -0.447 175.608 176.000 0.092 0.000 1.067 49 Q CA -0.339 55.569 55.803 0.175 0.000 1.115 49 Q CB 0.414 29.230 28.738 0.131 0.000 1.147 49 Q HN 0.753 nan 8.270 nan 0.000 0.599 50 L N 0.540 121.776 121.223 0.022 0.000 2.290 50 L HA 0.496 4.851 4.340 0.025 0.000 0.284 50 L C 1.375 178.237 176.870 -0.013 0.000 1.078 50 L CA 0.998 55.810 54.840 -0.045 0.000 0.815 50 L CB 0.908 42.931 42.059 -0.060 0.000 1.162 50 L HN 1.176 nan 8.230 nan 0.000 0.435 51 G N 1.038 109.824 108.800 -0.023 0.000 2.194 51 G HA2 -0.276 3.699 3.960 0.025 0.000 0.236 51 G HA3 -0.276 3.699 3.960 0.025 0.000 0.236 51 G C 0.282 175.192 174.900 0.016 0.000 0.987 51 G CA 0.213 45.310 45.100 -0.005 0.000 0.635 51 G HN 0.737 nan 8.290 nan 0.000 0.520 52 K N 0.512 120.933 120.400 0.036 0.000 2.107 52 K HA 0.844 5.179 4.320 0.025 0.000 0.251 52 K C 0.821 177.452 176.600 0.052 0.000 1.012 52 K CA 0.595 56.915 56.287 0.055 0.000 0.920 52 K CB 0.651 33.204 32.500 0.088 0.000 1.033 52 K HN 1.480 nan 8.250 nan 0.000 0.478 53 S N -0.046 115.678 115.700 0.041 0.000 2.549 53 S HA -0.043 4.442 4.470 0.025 0.000 0.283 53 S C 1.306 175.926 174.600 0.035 0.000 1.320 53 S CA 0.294 58.505 58.200 0.019 0.000 1.058 53 S CB 0.665 63.860 63.200 -0.009 0.000 0.882 53 S HN 0.750 nan 8.310 nan 0.000 0.498 54 Q N 2.684 122.498 119.800 0.023 0.000 2.170 54 Q HA -0.137 4.218 4.340 0.025 0.000 0.203 54 Q C 1.758 177.755 176.000 -0.005 0.000 0.976 54 Q CA 1.914 57.745 55.803 0.046 0.000 0.858 54 Q CB -0.119 28.631 28.738 0.021 0.000 0.907 54 Q HN 0.855 nan 8.270 nan 0.000 0.433 55 E N -0.636 119.483 120.200 -0.134 0.000 2.038 55 E HA -0.173 4.192 4.350 0.025 0.000 0.195 55 E C 2.007 178.459 176.600 -0.247 0.000 1.000 55 E CA 1.542 57.695 56.400 -0.411 0.000 0.803 55 E CB -0.582 28.762 29.700 -0.594 0.000 0.750 55 E HN 0.538 nan 8.360 nan 0.000 0.448 56 V N 0.520 120.403 119.914 -0.051 0.000 2.788 56 V HA -0.116 4.019 4.120 0.025 0.000 0.251 56 V C 2.389 178.596 176.094 0.188 0.000 1.068 56 V CA 1.327 63.701 62.300 0.124 0.000 1.090 56 V CB -0.748 31.139 31.823 0.107 0.000 0.710 56 V HN 0.278 nan 8.190 nan 0.000 0.467 57 Q N -0.462 119.427 119.800 0.148 0.000 2.170 57 Q HA -0.166 4.188 4.340 0.025 0.000 0.203 57 Q C 2.103 178.167 176.000 0.106 0.000 0.976 57 Q CA 1.780 57.672 55.803 0.149 0.000 0.858 57 Q CB -0.223 28.657 28.738 0.237 0.000 0.907 57 Q HN 0.677 nan 8.270 nan 0.000 0.433 58 F N 0.007 119.960 119.950 0.005 0.000 2.259 58 F HA -0.145 4.397 4.527 0.025 0.000 0.298 58 F C 1.672 177.508 175.800 0.060 0.000 1.088 58 F CA 0.724 58.721 58.000 -0.007 0.000 1.358 58 F CB -0.247 38.774 39.000 0.035 0.000 1.040 58 F HN 0.007 nan 8.300 nan 0.000 0.505 59 F N 0.753 120.651 119.950 -0.086 0.000 2.325 59 F HA 0.134 4.676 4.527 0.025 0.000 0.299 59 F C 2.328 178.050 175.800 -0.130 0.000 1.090 59 F CA 1.332 59.244 58.000 -0.146 0.000 1.392 59 F CB -0.931 38.103 39.000 0.057 0.000 1.053 59 F HN -0.017 nan 8.300 nan 0.000 0.521 60 G N -0.338 108.411 108.800 -0.085 0.000 2.408 60 G HA2 -0.161 3.814 3.960 0.025 0.000 0.217 60 G HA3 -0.161 3.814 3.960 0.025 0.000 0.217 60 G C 1.812 176.477 174.900 -0.392 0.000 1.150 60 G CA 0.683 45.681 45.100 -0.169 0.000 0.776 60 G HN 0.526 nan 8.290 nan 0.000 0.542 61 A N 0.705 123.296 122.820 -0.382 0.000 1.897 61 A HA 0.156 4.491 4.320 0.025 0.000 0.215 61 A C 2.314 179.630 177.584 -0.448 0.000 1.181 61 A CA 1.137 52.917 52.037 -0.429 0.000 0.620 61 A CB -0.378 18.422 19.000 -0.335 0.000 0.821 61 A HN 0.393 nan 8.150 nan 0.000 0.443 62 I N -0.301 119.940 120.570 -0.548 0.000 2.361 62 I HA -0.213 3.972 4.170 0.025 0.000 0.251 62 I C 2.184 178.020 176.117 -0.468 0.000 1.133 62 I CA 1.943 62.946 61.300 -0.495 0.000 1.413 62 I CB -0.172 37.443 38.000 -0.643 0.000 1.073 62 I HN 0.316 nan 8.210 nan 0.000 0.424 63 T N 1.631 115.805 114.554 -0.634 0.000 2.614 63 T HA -0.219 4.146 4.350 0.025 0.000 0.263 63 T C 1.793 176.092 174.700 -0.668 0.000 1.055 63 T CA 1.766 63.472 62.100 -0.656 0.000 1.162 63 T CB -0.527 67.936 68.868 -0.675 0.000 0.863 63 T HN 0.343 nan 8.240 nan 0.000 0.414 64 L N 0.955 121.757 121.223 -0.702 0.000 2.089 64 L HA -0.196 4.159 4.340 0.025 0.000 0.213 64 L C 2.239 178.823 176.870 -0.476 0.000 1.079 64 L CA 2.154 56.558 54.840 -0.726 0.000 0.758 64 L CB -0.856 40.728 42.059 -0.792 0.000 0.891 64 L HN 0.396 nan 8.230 nan 0.000 0.433 65 H N -1.015 117.787 119.070 -0.448 0.000 2.276 65 H HA -0.079 4.492 4.556 0.025 0.000 0.301 65 H C 2.268 177.442 175.328 -0.257 0.000 1.073 65 H CA 2.044 57.913 56.048 -0.298 0.000 1.311 65 H CB -0.433 29.175 29.762 -0.257 0.000 1.379 65 H HN 0.391 nan 8.280 nan 0.000 0.494 66 S N -0.124 115.319 115.700 -0.428 0.000 2.383 66 S HA -0.188 4.297 4.470 0.025 0.000 0.229 66 S C 2.408 176.802 174.600 -0.343 0.000 1.030 66 S CA 1.812 59.769 58.200 -0.405 0.000 1.002 66 S CB -0.386 62.642 63.200 -0.287 0.000 0.829 66 S HN 0.754 nan 8.310 nan 0.000 0.467 67 K N 1.318 121.426 120.400 -0.487 0.000 2.097 67 K HA 0.153 4.488 4.320 0.025 0.000 0.205 67 K C 1.895 178.352 176.600 -0.239 0.000 1.050 67 K CA 1.250 57.204 56.287 -0.556 0.000 0.938 67 K CB -1.204 30.362 32.500 -1.556 0.000 0.718 67 K HN 0.444 nan 8.250 nan 0.000 0.442 68 L N -0.406 120.669 121.223 -0.247 0.000 2.275 68 L HA -0.086 4.269 4.340 0.025 0.000 0.215 68 L C 3.250 180.138 176.870 0.030 0.000 1.119 68 L CA 1.612 56.414 54.840 -0.063 0.000 0.790 68 L CB -0.371 41.687 42.059 -0.001 0.000 0.919 68 L HN 0.577 nan 8.230 nan 0.000 0.443 69 M N -0.655 118.923 119.600 -0.036 0.000 2.615 69 M HA 0.168 4.663 4.480 0.025 0.000 0.262 69 M C 2.474 178.899 176.300 0.208 0.000 1.198 69 M CA 1.600 56.938 55.300 0.063 0.000 1.165 69 M CB -1.104 31.404 32.600 -0.152 0.000 1.310 69 M HN 0.166 nan 8.290 nan 0.000 0.494 70 K N -0.084 120.377 120.400 0.101 0.000 2.242 70 K HA 0.297 4.632 4.320 0.025 0.000 0.200 70 K C 1.314 177.972 176.600 0.097 0.000 1.050 70 K CA 1.536 57.893 56.287 0.116 0.000 0.981 70 K CB -1.373 31.144 32.500 0.029 0.000 0.795 70 K HN 1.384 nan 8.250 nan 0.000 0.477 71 H N -2.541 116.623 119.070 0.156 0.000 2.505 71 H HA 0.398 4.969 4.556 0.025 0.000 0.260 71 H C 1.462 176.905 175.328 0.192 0.000 1.232 71 H CA 0.184 56.369 56.048 0.227 0.000 0.991 71 H CB -1.322 28.744 29.762 0.506 0.000 1.729 71 H HN 0.748 nan 8.280 nan 0.000 0.561 72 W N -0.797 120.540 121.300 0.062 0.000 2.595 72 W HA 0.093 4.768 4.660 0.025 0.000 0.257 72 W C 2.033 178.535 176.519 -0.027 0.000 1.267 72 W CA 1.495 58.809 57.345 -0.051 0.000 1.300 72 W CB -1.281 28.007 29.460 -0.287 0.000 1.120 72 W HN 1.105 nan 8.180 nan 0.000 0.618 73 H N -0.688 118.380 119.070 -0.004 0.000 2.495 73 H HA 0.292 4.863 4.556 0.025 0.000 0.287 73 H C 1.735 177.031 175.328 -0.053 0.000 1.033 73 H CA 2.355 58.388 56.048 -0.025 0.000 1.307 73 H CB -0.721 29.027 29.762 -0.023 0.000 1.401 73 H HN 0.686 nan 8.280 nan 0.000 0.555 74 E N 0.531 120.692 120.200 -0.065 0.000 2.405 74 E HA 0.551 4.916 4.350 0.025 0.000 0.214 74 E C -0.248 176.238 176.600 -0.190 0.000 1.101 74 E CA 0.290 56.584 56.400 -0.176 0.000 1.254 74 E CB -0.408 29.101 29.700 -0.320 0.000 1.240 74 E HN 0.568 nan 8.360 nan 0.000 0.439 75 V N 1.941 121.810 119.914 -0.075 0.000 2.581 75 V HA 0.557 4.692 4.120 0.025 0.000 0.303 75 V C -2.270 173.804 176.094 -0.033 0.000 1.041 75 V CA -1.874 60.410 62.300 -0.026 0.000 0.907 75 V CB 2.137 33.986 31.823 0.044 0.000 0.994 75 V HN 0.418 nan 8.190 nan 0.000 0.442 76 P HA 0.343 nan 4.420 nan 0.000 0.273 76 P C -2.535 174.769 177.300 0.007 0.000 1.531 76 P CA -1.810 61.279 63.100 -0.018 0.000 1.027 76 P CB 1.331 33.016 31.700 -0.025 0.000 1.387 77 P HA -0.248 nan 4.420 nan 0.000 0.218 77 P C 1.680 178.992 177.300 0.019 0.000 1.147 77 P CA 2.160 65.267 63.100 0.012 0.000 0.827 77 P CB -0.136 31.564 31.700 0.001 0.000 0.778 78 E N -0.867 119.339 120.200 0.009 0.000 2.110 78 E HA -0.188 4.177 4.350 0.025 0.000 0.193 78 E C 1.672 178.282 176.600 0.016 0.000 0.988 78 E CA 1.679 58.084 56.400 0.008 0.000 0.804 78 E CB -2.012 27.687 29.700 -0.003 0.000 0.745 78 E HN 0.485 nan 8.360 nan 0.000 0.458 79 N N 0.053 118.765 118.700 0.020 0.000 2.327 79 N HA 0.151 4.906 4.740 0.025 0.000 0.231 79 N C 1.808 177.355 175.510 0.062 0.000 1.130 79 N CA 0.559 53.623 53.050 0.023 0.000 0.845 79 N CB -0.292 38.199 38.487 0.005 0.000 1.073 79 N HN 0.286 nan 8.380 nan 0.000 0.496 80 R N 0.008 120.564 120.500 0.093 0.000 2.088 80 R HA -0.158 4.197 4.340 0.025 0.000 0.232 80 R C 2.110 178.551 176.300 0.236 0.000 1.136 80 R CA 1.677 57.889 56.100 0.187 0.000 0.926 80 R CB -0.965 29.425 30.300 0.149 0.000 0.837 80 R HN 0.886 nan 8.270 nan 0.000 0.429 81 E N 0.308 120.603 120.200 0.158 0.000 2.118 81 E HA -0.248 4.117 4.350 0.025 0.000 0.195 81 E C 2.289 178.891 176.600 0.002 0.000 0.992 81 E CA 1.673 58.141 56.400 0.112 0.000 0.804 81 E CB -0.209 29.534 29.700 0.072 0.000 0.741 81 E HN 0.430 nan 8.360 nan 0.000 0.458 82 E N 0.254 120.447 120.200 -0.011 0.000 2.070 82 E HA -0.242 4.123 4.350 0.025 0.000 0.197 82 E C 2.022 178.544 176.600 -0.130 0.000 1.004 82 E CA 1.335 57.690 56.400 -0.074 0.000 0.805 82 E CB -0.770 28.888 29.700 -0.071 0.000 0.744 82 E HN 0.468 nan 8.360 nan 0.000 0.451 83 L N 0.878 122.050 121.223 -0.084 0.000 2.081 83 L HA -0.087 4.268 4.340 0.025 0.000 0.212 83 L C 2.680 179.372 176.870 -0.297 0.000 1.080 83 L CA 3.349 58.130 54.840 -0.098 0.000 0.754 83 L CB -1.013 41.088 42.059 0.070 0.000 0.893 83 L HN 0.424 nan 8.230 nan 0.000 0.433 84 K N -1.047 119.050 120.400 -0.505 0.000 2.007 84 K HA -0.169 4.166 4.320 0.025 0.000 0.206 84 K C 2.094 178.560 176.600 -0.224 0.000 1.047 84 K CA 1.417 57.357 56.287 -0.578 0.000 0.937 84 K CB -1.169 31.047 32.500 -0.472 0.000 0.718 84 K HN 0.500 nan 8.250 nan 0.000 0.438 85 Q N 0.558 120.269 119.800 -0.147 0.000 2.152 85 Q HA -0.150 4.204 4.340 0.025 0.000 0.206 85 Q C 2.363 178.305 176.000 -0.096 0.000 0.985 85 Q CA 3.293 59.041 55.803 -0.091 0.000 0.863 85 Q CB -0.554 28.138 28.738 -0.078 0.000 0.904 85 Q HN 0.613 nan 8.270 nan 0.000 0.422 86 K N 0.463 120.766 120.400 -0.162 0.000 2.026 86 K HA -0.085 4.250 4.320 0.025 0.000 0.208 86 K C 1.944 178.595 176.600 0.085 0.000 1.048 86 K CA 1.657 57.800 56.287 -0.241 0.000 0.929 86 K CB -1.020 31.065 32.500 -0.692 0.000 0.713 86 K HN 0.460 nan 8.250 nan 0.000 0.439 87 I N 0.863 121.528 120.570 0.157 0.000 2.546 87 I HA -0.132 4.053 4.170 0.025 0.000 0.255 87 I C 3.069 179.239 176.117 0.089 0.000 1.163 87 I CA 1.021 62.440 61.300 0.199 0.000 1.457 87 I CB -0.286 37.743 38.000 0.049 0.000 1.092 87 I HN 0.343 nan 8.210 nan 0.000 0.434 88 L N -0.312 120.928 121.223 0.030 0.000 2.156 88 L HA -0.124 4.231 4.340 0.025 0.000 0.208 88 L C 2.342 179.245 176.870 0.054 0.000 1.095 88 L CA 2.008 56.864 54.840 0.026 0.000 0.770 88 L CB -1.315 40.743 42.059 -0.000 0.000 0.914 88 L HN 0.150 nan 8.230 nan 0.000 0.439 89 E N -0.110 120.127 120.200 0.062 0.000 2.047 89 E HA -0.125 4.240 4.350 0.025 0.000 0.191 89 E C 2.563 179.246 176.600 0.138 0.000 0.987 89 E CA 1.565 58.010 56.400 0.075 0.000 0.799 89 E CB -0.214 29.517 29.700 0.051 0.000 0.752 89 E HN 0.703 nan 8.360 nan 0.000 0.449 90 S N 0.370 116.197 115.700 0.211 0.000 2.353 90 S HA -0.183 4.302 4.470 0.025 0.000 0.222 90 S C 2.009 176.809 174.600 0.334 0.000 1.035 90 S CA 1.186 59.584 58.200 0.331 0.000 1.025 90 S CB -0.391 62.987 63.200 0.297 0.000 0.902 90 S HN 0.215 nan 8.310 nan 0.000 0.440 91 I N 1.272 121.949 120.570 0.179 0.000 2.236 91 I HA -0.207 3.978 4.170 0.025 0.000 0.249 91 I C 2.155 178.354 176.117 0.137 0.000 1.102 91 I CA 0.999 62.376 61.300 0.128 0.000 1.365 91 I CB -0.543 37.488 38.000 0.050 0.000 1.051 91 I HN 0.161 nan 8.210 nan 0.000 0.420 92 V N 0.872 120.852 119.914 0.110 0.000 2.358 92 V HA -0.306 3.829 4.120 0.025 0.000 0.246 92 V C 3.137 179.269 176.094 0.063 0.000 1.047 92 V CA 2.508 64.852 62.300 0.073 0.000 1.035 92 V CB -1.183 30.671 31.823 0.050 0.000 0.658 92 V HN 0.537 nan 8.190 nan 0.000 0.452 93 R N -0.510 120.035 120.500 0.076 0.000 2.075 93 R HA -0.110 4.245 4.340 0.025 0.000 0.232 93 R C 1.935 178.127 176.300 -0.180 0.000 1.126 93 R CA 2.054 58.118 56.100 -0.061 0.000 0.963 93 R CB -1.417 28.824 30.300 -0.098 0.000 0.858 93 R HN 0.582 nan 8.270 nan 0.000 0.435 94 F N 0.758 120.716 119.950 0.014 0.000 2.797 94 F HA 0.428 4.970 4.527 0.025 0.000 0.302 94 F C 1.517 177.317 175.800 -0.000 0.000 1.130 94 F CA -0.197 57.806 58.000 0.004 0.000 1.387 94 F CB 0.136 39.132 39.000 -0.007 0.000 1.107 94 F HN 0.292 nan 8.300 nan 0.000 0.577 95 A N 0.299 123.196 122.820 0.128 0.000 2.457 95 A HA 0.506 4.841 4.320 0.025 0.000 0.298 95 A C 1.316 178.945 177.584 0.075 0.000 1.288 95 A CA 0.647 52.742 52.037 0.097 0.000 0.956 95 A CB -0.909 18.140 19.000 0.082 0.000 1.135 95 A HN 0.716 nan 8.150 nan 0.000 0.535 96 G N 1.568 110.422 108.800 0.089 0.000 2.253 96 G HA2 -0.069 3.906 3.960 0.025 0.000 0.209 96 G HA3 -0.069 3.906 3.960 0.025 0.000 0.209 96 G C 0.904 175.828 174.900 0.041 0.000 0.997 96 G CA 0.383 45.523 45.100 0.066 0.000 0.640 96 G HN 1.501 nan 8.290 nan 0.000 0.496 97 G N 1.095 109.913 108.800 0.030 0.000 3.311 97 G HA2 0.581 4.556 3.960 0.025 0.000 0.169 97 G HA3 0.581 4.556 3.960 0.025 0.000 0.169 97 G C -1.827 173.118 174.900 0.076 0.000 1.852 97 G CA 0.387 45.487 45.100 0.001 0.000 1.010 97 G HN 0.491 nan 8.290 nan 0.000 0.530 98 P HA 0.342 nan 4.420 nan 0.000 0.287 98 P C 0.438 177.804 177.300 0.109 0.000 1.281 98 P CA 0.137 63.317 63.100 0.134 0.000 0.781 98 P CB 1.591 33.398 31.700 0.179 0.000 0.903 99 K N 3.818 124.249 120.400 0.052 0.000 1.991 99 K HA -0.150 4.185 4.320 0.025 0.000 0.212 99 K C 1.895 178.454 176.600 -0.069 0.000 1.049 99 K CA 2.159 58.451 56.287 0.009 0.000 0.932 99 K CB -1.821 30.709 32.500 0.050 0.000 0.717 99 K HN 0.606 nan 8.250 nan 0.000 0.441 100 I N 0.983 121.496 120.570 -0.095 0.000 2.236 100 I HA -0.273 3.912 4.170 0.025 0.000 0.249 100 I C 2.400 178.458 176.117 -0.099 0.000 1.102 100 I CA 1.428 62.623 61.300 -0.176 0.000 1.365 100 I CB -0.761 37.006 38.000 -0.388 0.000 1.051 100 I HN 0.142 nan 8.210 nan 0.000 0.420 101 V N 0.825 120.713 119.914 -0.044 0.000 2.270 101 V HA -0.251 3.884 4.120 0.025 0.000 0.245 101 V C 2.447 178.437 176.094 -0.174 0.000 1.043 101 V CA 1.710 63.957 62.300 -0.089 0.000 1.014 101 V CB -0.690 31.051 31.823 -0.137 0.000 0.645 101 V HN 0.340 nan 8.190 nan 0.000 0.447 102 L N 2.101 123.272 121.223 -0.087 0.000 1.991 102 L HA -0.290 4.065 4.340 0.025 0.000 0.221 102 L C 2.480 179.228 176.870 -0.203 0.000 1.079 102 L CA 3.089 57.867 54.840 -0.104 0.000 0.778 102 L CB -1.491 40.513 42.059 -0.091 0.000 0.893 102 L HN 0.508 nan 8.230 nan 0.000 0.437 103 N N -0.987 117.559 118.700 -0.257 0.000 2.132 103 N HA -0.307 4.448 4.740 0.025 0.000 0.191 103 N C 2.062 177.443 175.510 -0.215 0.000 1.015 103 N CA 1.861 54.743 53.050 -0.280 0.000 0.864 103 N CB -0.734 37.595 38.487 -0.263 0.000 1.006 103 N HN 0.407 nan 8.380 nan 0.000 0.430 104 R N 0.007 120.401 120.500 -0.178 0.000 2.090 104 R HA 0.250 4.605 4.340 0.025 0.000 0.228 104 R C 2.289 178.443 176.300 -0.243 0.000 1.110 104 R CA 0.668 56.647 56.100 -0.201 0.000 0.973 104 R CB -0.596 29.638 30.300 -0.111 0.000 0.869 104 R HN 0.598 nan 8.270 nan 0.000 0.440 105 L N -0.930 120.151 121.223 -0.237 0.000 2.056 105 L HA -0.241 4.114 4.340 0.025 0.000 0.207 105 L C 2.375 179.159 176.870 -0.143 0.000 1.078 105 L CA 1.256 55.971 54.840 -0.208 0.000 0.749 105 L CB -0.469 41.472 42.059 -0.196 0.000 0.901 105 L HN 0.269 nan 8.230 nan 0.000 0.433 106 C N 0.274 119.486 119.300 -0.147 0.000 2.393 106 C HA -0.200 4.275 4.460 0.025 0.000 0.276 106 C C 2.688 177.622 174.990 -0.094 0.000 1.215 106 C CA 0.689 59.638 59.018 -0.115 0.000 1.743 106 C CB -0.777 26.866 27.740 -0.162 0.000 2.044 106 C HN 0.436 nan 8.230 nan 0.000 0.464 107 I N 1.209 121.694 120.570 -0.142 0.000 2.454 107 I HA -0.175 4.010 4.170 0.025 0.000 0.254 107 I C 2.402 178.482 176.117 -0.061 0.000 1.156 107 I CA 1.307 62.527 61.300 -0.133 0.000 1.433 107 I CB -0.478 37.362 38.000 -0.265 0.000 1.082 107 I HN 0.318 nan 8.210 nan 0.000 0.432 108 S N 0.988 116.642 115.700 -0.077 0.000 2.368 108 S HA -0.140 4.345 4.470 0.025 0.000 0.224 108 S C 1.930 176.571 174.600 0.068 0.000 1.029 108 S CA 1.018 59.225 58.200 0.012 0.000 0.988 108 S CB -0.396 62.749 63.200 -0.092 0.000 0.838 108 S HN 0.332 nan 8.310 nan 0.000 0.462 109 L N 2.379 123.620 121.223 0.030 0.000 2.046 109 L HA 0.024 4.379 4.340 0.025 0.000 0.208 109 L C 2.161 179.120 176.870 0.148 0.000 1.077 109 L CA 2.028 56.913 54.840 0.074 0.000 0.747 109 L CB -1.383 40.693 42.059 0.028 0.000 0.896 109 L HN 0.284 nan 8.230 nan 0.000 0.432 110 G N -0.979 107.875 108.800 0.091 0.000 2.453 110 G HA2 -0.243 3.732 3.960 0.025 0.000 0.215 110 G HA3 -0.243 3.732 3.960 0.025 0.000 0.215 110 G C 1.623 176.581 174.900 0.097 0.000 1.201 110 G CA 0.933 46.086 45.100 0.087 0.000 0.784 110 G HN 0.643 nan 8.290 nan 0.000 0.545 111 A N -0.034 122.846 122.820 0.099 0.000 1.948 111 A HA -0.136 4.199 4.320 0.025 0.000 0.220 111 A C 2.185 179.873 177.584 0.173 0.000 1.177 111 A CA 1.975 54.064 52.037 0.088 0.000 0.636 111 A CB -0.761 18.319 19.000 0.133 0.000 0.815 111 A HN 0.554 nan 8.150 nan 0.000 0.449 112 Y N 0.778 121.150 120.300 0.121 0.000 2.053 112 Y HA -0.260 4.305 4.550 0.025 0.000 0.277 112 Y C 2.014 178.002 175.900 0.146 0.000 1.159 112 Y CA 2.045 60.241 58.100 0.159 0.000 1.125 112 Y CB -0.438 38.083 38.460 0.101 0.000 0.969 112 Y HN 0.290 nan 8.280 nan 0.000 0.492 113 I N -0.757 119.893 120.570 0.133 0.000 2.248 113 I HA -0.345 3.840 4.170 0.025 0.000 0.248 113 I C 2.249 178.334 176.117 -0.053 0.000 1.107 113 I CA 1.325 62.639 61.300 0.025 0.000 1.373 113 I CB -0.775 37.295 38.000 0.117 0.000 1.055 113 I HN 0.141 nan 8.210 nan 0.000 0.418 114 V N 0.663 120.534 119.914 -0.071 0.000 2.324 114 V HA -0.337 3.798 4.120 0.025 0.000 0.250 114 V C 2.507 178.476 176.094 -0.207 0.000 1.060 114 V CA 2.026 64.228 62.300 -0.163 0.000 1.042 114 V CB -1.047 30.615 31.823 -0.268 0.000 0.650 114 V HN 0.474 nan 8.190 nan 0.000 0.450 115 H N -0.849 118.142 119.070 -0.131 0.000 2.457 115 H HA -0.020 4.551 4.556 0.025 0.000 0.294 115 H C 2.189 177.426 175.328 -0.152 0.000 1.064 115 H CA 1.354 57.317 56.048 -0.140 0.000 1.330 115 H CB -0.086 29.574 29.762 -0.170 0.000 1.395 115 H HN 0.361 nan 8.280 nan 0.000 0.541 116 M N 0.584 120.131 119.600 -0.089 0.000 2.619 116 M HA -0.025 4.470 4.480 0.025 0.000 0.251 116 M C 2.044 178.321 176.300 -0.038 0.000 1.106 116 M CA 0.530 55.776 55.300 -0.089 0.000 1.086 116 M CB -0.503 32.020 32.600 -0.128 0.000 1.465 116 M HN 0.209 nan 8.290 nan 0.000 0.506 117 L N -0.408 120.794 121.223 -0.034 0.000 2.362 117 L HA 0.037 4.392 4.340 0.025 0.000 0.219 117 L C 1.181 178.046 176.870 -0.009 0.000 1.134 117 L CA 0.320 55.149 54.840 -0.017 0.000 0.807 117 L CB -0.587 41.456 42.059 -0.026 0.000 0.927 117 L HN 0.408 nan 8.230 nan 0.000 0.447 126 E N 0.725 120.947 120.200 0.038 0.000 2.086 126 E HA -0.116 4.249 4.350 0.025 0.000 0.200 126 E C 2.417 179.053 176.600 0.059 0.000 1.012 126 E CA 2.349 58.780 56.400 0.052 0.000 0.812 126 E CB -1.263 28.466 29.700 0.049 0.000 0.743 126 E HN 0.815 nan 8.360 nan 0.000 0.453 127 V N 0.656 120.607 119.914 0.062 0.000 2.594 127 V HA -0.168 3.967 4.120 0.025 0.000 0.253 127 V C 2.551 178.667 176.094 0.038 0.000 1.069 127 V CA 1.712 64.055 62.300 0.073 0.000 1.082 127 V CB -0.405 31.480 31.823 0.103 0.000 0.680 127 V HN 0.587 nan 8.190 nan 0.000 0.469 128 I N 1.508 122.092 120.570 0.023 0.000 2.584 128 I HA -0.112 4.072 4.170 0.025 0.000 0.255 128 I C 2.296 178.420 176.117 0.011 0.000 1.145 128 I CA 1.245 62.548 61.300 0.005 0.000 1.462 128 I CB -0.440 37.559 38.000 -0.002 0.000 1.102 128 I HN 0.519 nan 8.210 nan 0.000 0.433 129 N N 0.291 119.005 118.700 0.023 0.000 2.300 129 N HA -0.114 4.641 4.740 0.025 0.000 0.179 129 N C 1.509 177.037 175.510 0.029 0.000 1.016 129 N CA 1.461 54.526 53.050 0.025 0.000 0.876 129 N CB -1.133 37.374 38.487 0.033 0.000 0.979 129 N HN 0.082 nan 8.380 nan 0.000 0.432 130 T N -0.176 114.402 114.554 0.040 0.000 2.607 130 T HA -0.161 4.204 4.350 0.025 0.000 0.267 130 T C 2.101 176.817 174.700 0.026 0.000 1.049 130 T CA 2.584 64.711 62.100 0.045 0.000 1.162 130 T CB -1.218 67.688 68.868 0.063 0.000 0.863 130 T HN 0.411 nan 8.240 nan 0.000 0.424 131 F N 1.488 121.447 119.950 0.016 0.000 2.095 131 F HA -0.020 4.522 4.527 0.025 0.000 0.298 131 F C 3.152 178.950 175.800 -0.004 0.000 1.104 131 F CA 2.178 60.176 58.000 -0.003 0.000 1.232 131 F CB -1.778 37.212 39.000 -0.018 0.000 0.987 131 F HN 0.510 nan 8.300 nan 0.000 0.475 132 Q N 0.404 120.205 119.800 0.001 0.000 2.077 132 Q HA -0.297 4.058 4.340 0.025 0.000 0.206 132 Q C 2.034 178.036 176.000 0.003 0.000 0.989 132 Q CA 2.088 57.892 55.803 0.002 0.000 0.853 132 Q CB -1.807 26.934 28.738 0.005 0.000 0.907 132 Q HN 0.786 nan 8.270 nan 0.000 0.418 133 N N 0.301 119.006 118.700 0.009 0.000 2.137 133 N HA -0.172 4.583 4.740 0.025 0.000 0.190 133 N C 1.200 176.713 175.510 0.005 0.000 1.017 133 N CA 1.970 55.026 53.050 0.010 0.000 0.859 133 N CB -0.116 38.381 38.487 0.018 0.000 1.002 133 N HN 0.777 nan 8.380 nan 0.000 0.428 134 Q N -1.156 118.644 119.800 0.000 0.000 2.175 134 Q HA 0.354 4.709 4.340 0.025 0.000 0.225 134 Q C 0.306 176.291 176.000 -0.024 0.000 0.837 134 Q CA -0.187 55.611 55.803 -0.008 0.000 1.032 134 Q CB 0.942 29.677 28.738 -0.005 0.000 1.137 134 Q HN 0.312 nan 8.270 nan 0.000 0.483 141 A N 2.104 124.935 122.820 0.018 0.000 1.863 141 A HA -0.187 4.148 4.320 0.025 0.000 0.218 141 A C 1.714 179.302 177.584 0.008 0.000 1.233 141 A CA 2.807 54.849 52.037 0.009 0.000 0.655 141 A CB -1.067 17.936 19.000 0.005 0.000 0.839 141 A HN 0.897 nan 8.150 nan 0.000 0.454 142 D N -0.351 120.054 120.400 0.009 0.000 2.127 142 D HA -0.163 4.492 4.640 0.025 0.000 0.190 142 D C 2.140 178.467 176.300 0.045 0.000 1.000 142 D CA 2.005 56.005 54.000 0.001 0.000 0.839 142 D CB -0.852 39.942 40.800 -0.010 0.000 0.955 142 D HN 0.267 nan 8.370 nan 0.000 0.446 143 V N 1.658 121.625 119.914 0.090 0.000 2.252 143 V HA -0.344 3.791 4.120 0.025 0.000 0.249 143 V C 3.087 179.280 176.094 0.165 0.000 1.056 143 V CA 3.038 65.450 62.300 0.186 0.000 1.022 143 V CB -1.493 30.425 31.823 0.158 0.000 0.641 143 V HN 0.373 nan 8.190 nan 0.000 0.445 144 Q N -0.325 119.527 119.800 0.086 0.000 2.103 144 Q HA -0.354 4.001 4.340 0.025 0.000 0.213 144 Q C 2.237 178.266 176.000 0.048 0.000 1.008 144 Q CA 2.757 58.592 55.803 0.053 0.000 0.879 144 Q CB -1.208 27.544 28.738 0.022 0.000 0.946 144 Q HN 0.607 nan 8.270 nan 0.000 0.413 145 L N -1.145 120.091 121.223 0.022 0.000 2.131 145 L HA -0.027 4.328 4.340 0.025 0.000 0.210 145 L C 2.244 179.166 176.870 0.086 0.000 1.092 145 L CA 2.136 56.958 54.840 -0.030 0.000 0.759 145 L CB -0.734 41.231 42.059 -0.156 0.000 0.903 145 L HN 0.725 nan 8.230 nan 0.000 0.435 146 W N 0.474 121.733 121.300 -0.069 0.000 2.354 146 W HA -0.186 4.489 4.660 0.024 0.000 0.315 146 W C 2.400 178.903 176.519 -0.026 0.000 1.206 146 W CA 1.691 59.012 57.345 -0.040 0.000 1.290 146 W CB -0.459 28.990 29.460 -0.018 0.000 1.152 146 W HN 0.117 nan 8.180 nan 0.000 0.489 147 I N 0.656 121.301 120.570 0.126 0.000 2.068 147 I HA -0.409 3.776 4.170 0.025 0.000 0.238 147 I C 2.515 178.630 176.117 -0.004 0.000 1.046 147 I CA 2.423 63.712 61.300 -0.019 0.000 1.306 147 I CB -1.839 36.165 38.000 0.007 0.000 1.023 147 I HN 0.132 nan 8.210 nan 0.000 0.399 148 M N 0.925 120.539 119.600 0.022 0.000 2.110 148 M HA -0.269 4.226 4.480 0.025 0.000 0.257 148 M C 2.490 178.808 176.300 0.031 0.000 1.071 148 M CA 2.117 57.427 55.300 0.017 0.000 1.096 148 M CB -0.240 32.357 32.600 -0.005 0.000 1.300 148 M HN 0.153 nan 8.290 nan 0.000 0.411 149 L N 0.033 121.283 121.223 0.046 0.000 1.989 149 L HA -0.249 4.105 4.340 0.025 0.000 0.211 149 L C 2.619 179.543 176.870 0.090 0.000 1.071 149 L CA 1.804 56.690 54.840 0.076 0.000 0.749 149 L CB -0.829 41.296 42.059 0.111 0.000 0.890 149 L HN 0.403 nan 8.230 nan 0.000 0.431 150 E N 0.064 120.293 120.200 0.048 0.000 2.058 150 E HA -0.179 4.186 4.350 0.025 0.000 0.194 150 E C 2.053 178.651 176.600 -0.003 0.000 0.997 150 E CA 1.523 57.910 56.400 -0.023 0.000 0.801 150 E CB -0.330 29.245 29.700 -0.208 0.000 0.746 150 E HN 0.225 nan 8.360 nan 0.000 0.450 151 V N 0.785 120.698 119.914 -0.001 0.000 2.255 151 V HA -0.293 3.842 4.120 0.025 0.000 0.247 151 V C 2.559 178.705 176.094 0.086 0.000 1.051 151 V CA 2.058 64.373 62.300 0.025 0.000 1.018 151 V CB -0.613 31.228 31.823 0.029 0.000 0.641 151 V HN 0.306 nan 8.190 nan 0.000 0.445 152 L N 0.472 121.774 121.223 0.132 0.000 2.131 152 L HA -0.161 4.194 4.340 0.025 0.000 0.210 152 L C 2.794 179.909 176.870 0.409 0.000 1.092 152 L CA 1.974 56.971 54.840 0.262 0.000 0.759 152 L CB -1.140 41.040 42.059 0.201 0.000 0.903 152 L HN 0.638 nan 8.230 nan 0.000 0.435 153 T N -2.514 112.207 114.554 0.279 0.000 2.812 153 T HA -0.079 4.286 4.350 0.025 0.000 0.264 153 T C 1.935 176.661 174.700 0.043 0.000 1.042 153 T CA 0.829 63.074 62.100 0.241 0.000 1.140 153 T CB -0.330 68.635 68.868 0.162 0.000 0.870 153 T HN 0.267 nan 8.240 nan 0.000 0.445 154 A N 0.914 123.746 122.820 0.021 0.000 2.178 154 A HA 0.195 4.530 4.320 0.025 0.000 0.218 154 A C 2.296 179.836 177.584 -0.074 0.000 1.157 154 A CA 0.821 52.836 52.037 -0.037 0.000 0.689 154 A CB -0.915 18.062 19.000 -0.039 0.000 0.787 154 A HN 0.652 nan 8.150 nan 0.000 0.465 155 I N 0.522 121.051 120.570 -0.068 0.000 2.133 155 I HA -0.127 4.058 4.170 0.025 0.000 0.238 155 I C -0.264 175.661 176.117 -0.320 0.000 1.074 155 I CA 1.346 62.570 61.300 -0.127 0.000 1.342 155 I CB -1.086 36.919 38.000 0.009 0.000 1.053 155 I HN 0.231 nan 8.210 nan 0.000 0.404 156 P HA -0.173 nan 4.420 nan 0.000 0.222 156 P C 0.933 178.005 177.300 -0.381 0.000 1.147 156 P CA 1.506 64.189 63.100 -0.695 0.000 0.790 156 P CB -0.147 30.814 31.700 -1.232 0.000 0.780 157 E N -0.183 119.848 120.200 -0.283 0.000 2.170 157 E HA -0.081 4.284 4.350 0.025 0.000 0.191 157 E C 1.773 178.289 176.600 -0.141 0.000 0.981 157 E CA 0.356 56.652 56.400 -0.174 0.000 0.830 157 E CB -0.534 29.095 29.700 -0.119 0.000 0.775 157 E HN 0.109 nan 8.360 nan 0.000 0.470 158 E N 1.583 121.700 120.200 -0.139 0.000 2.047 158 E HA -0.101 4.264 4.350 0.025 0.000 0.191 158 E C 2.224 178.714 176.600 -0.184 0.000 0.987 158 E CA 1.220 57.545 56.400 -0.124 0.000 0.799 158 E CB -0.334 29.312 29.700 -0.090 0.000 0.752 158 E HN 0.373 nan 8.360 nan 0.000 0.449 159 A N 1.141 123.840 122.820 -0.203 0.000 2.139 159 A HA -0.247 4.088 4.320 0.025 0.000 0.221 159 A C 2.331 179.808 177.584 -0.178 0.000 1.159 159 A CA 2.444 54.356 52.037 -0.209 0.000 0.662 159 A CB -0.830 18.049 19.000 -0.203 0.000 0.796 159 A HN 0.360 nan 8.150 nan 0.000 0.463 160 Q N -1.415 118.287 119.800 -0.164 0.000 2.269 160 Q HA 0.248 4.603 4.340 0.025 0.000 0.201 160 Q C 1.933 177.851 176.000 -0.135 0.000 0.946 160 Q CA 1.680 57.405 55.803 -0.130 0.000 0.877 160 Q CB -0.518 28.153 28.738 -0.111 0.000 0.963 160 Q HN 0.570 nan 8.270 nan 0.000 0.472 161 V N -1.089 118.717 119.914 -0.179 0.000 3.250 161 V HA 0.132 4.267 4.120 0.025 0.000 0.240 161 V C 1.052 176.866 176.094 -0.468 0.000 1.275 161 V CA -0.052 62.103 62.300 -0.241 0.000 1.206 161 V CB 0.895 32.611 31.823 -0.177 0.000 0.976 161 V HN 0.517 nan 8.190 nan 0.000 0.467 162 I N 2.222 122.561 120.570 -0.385 0.000 2.906 162 I HA -0.071 4.113 4.170 0.025 0.000 0.301 162 I C 0.592 176.460 176.117 -0.414 0.000 1.221 162 I CA -0.053 60.997 61.300 -0.417 0.000 1.435 162 I CB -0.937 36.854 38.000 -0.348 0.000 1.345 162 I HN 0.408 nan 8.210 nan 0.000 0.558 163 H N 4.942 124.024 119.070 0.020 0.000 2.846 163 H HA 0.218 4.789 4.556 0.025 0.000 0.278 163 H C 0.911 176.329 175.328 0.150 0.000 1.117 163 H CA -0.239 55.840 56.048 0.051 0.000 1.406 163 H CB 0.395 30.185 29.762 0.048 0.000 1.445 163 H HN 0.653 nan 8.280 nan 0.000 0.469 164 T N 1.201 115.833 114.554 0.129 0.000 3.145 164 T HA 0.079 4.444 4.350 0.025 0.000 0.255 164 T C 1.622 176.396 174.700 0.124 0.000 1.039 164 T CA 0.485 62.680 62.100 0.158 0.000 0.928 164 T CB 0.040 68.900 68.868 -0.013 0.000 1.029 164 T HN 0.854 nan 8.240 nan 0.000 0.554 165 S N 0.363 116.126 115.700 0.106 0.000 3.402 165 S HA -0.131 4.354 4.470 0.025 0.000 0.329 165 S C 0.432 175.058 174.600 0.043 0.000 1.194 165 S CA 0.942 59.182 58.200 0.065 0.000 0.951 165 S CB -2.098 61.135 63.200 0.055 0.000 0.975 165 S HN 0.398 nan 8.310 nan 0.000 0.574 166 V N -0.136 119.801 119.914 0.037 0.000 2.823 166 V HA 0.863 4.998 4.120 0.025 0.000 0.312 166 V C 0.673 176.773 176.094 0.012 0.000 1.072 166 V CA -0.792 61.520 62.300 0.019 0.000 0.937 166 V CB 1.465 33.294 31.823 0.011 0.000 1.013 166 V HN 0.940 nan 8.190 nan 0.000 0.430 167 K N 2.408 122.813 120.400 0.009 0.000 2.527 167 K HA 0.124 4.459 4.320 0.025 0.000 0.278 167 K C 1.109 177.708 176.600 -0.001 0.000 0.981 167 K CA 0.114 56.404 56.287 0.006 0.000 1.009 167 K CB -0.109 32.395 32.500 0.007 0.000 0.895 167 K HN 0.660 nan 8.250 nan 0.000 0.493 168 R N 1.332 121.831 120.500 -0.003 0.000 2.080 168 R HA -0.124 4.231 4.340 0.025 0.000 0.236 168 R C 2.218 178.512 176.300 -0.011 0.000 1.137 168 R CA 1.391 57.484 56.100 -0.013 0.000 0.943 168 R CB -1.180 29.113 30.300 -0.011 0.000 0.846 168 R HN 0.644 nan 8.270 nan 0.000 0.431 169 V N 1.482 121.394 119.914 -0.002 0.000 2.313 169 V HA -0.253 3.882 4.120 0.025 0.000 0.253 169 V C 2.363 178.460 176.094 0.005 0.000 1.070 169 V CA 2.306 64.608 62.300 0.004 0.000 1.057 169 V CB -0.265 31.563 31.823 0.009 0.000 0.653 169 V HN 0.270 nan 8.190 nan 0.000 0.450 170 V N -2.410 117.505 119.914 0.002 0.000 2.951 170 V HA -0.028 4.107 4.120 0.025 0.000 0.255 170 V C 2.226 178.317 176.094 -0.004 0.000 1.088 170 V CA 1.504 63.806 62.300 0.004 0.000 1.109 170 V CB -0.550 31.276 31.823 0.005 0.000 0.724 170 V HN 0.473 nan 8.190 nan 0.000 0.471 171 L N 0.035 121.248 121.223 -0.017 0.000 2.179 171 L HA 0.124 4.479 4.340 0.025 0.000 0.208 171 L C 2.646 179.494 176.870 -0.036 0.000 1.096 171 L CA 1.615 56.433 54.840 -0.037 0.000 0.779 171 L CB -0.557 41.466 42.059 -0.060 0.000 0.922 171 L HN 0.107 nan 8.230 nan 0.000 0.443 172 R N -0.620 119.866 120.500 -0.024 0.000 2.062 172 R HA 0.035 4.389 4.340 0.025 0.000 0.226 172 R C 2.203 178.511 176.300 0.015 0.000 1.125 172 R CA 1.165 57.256 56.100 -0.014 0.000 0.966 172 R CB -0.713 29.584 30.300 -0.006 0.000 0.861 172 R HN 0.463 nan 8.270 nan 0.000 0.433 173 A N 1.506 124.338 122.820 0.020 0.000 1.892 173 A HA -0.276 4.059 4.320 0.025 0.000 0.218 173 A C 2.395 180.004 177.584 0.042 0.000 1.188 173 A CA 2.599 54.657 52.037 0.035 0.000 0.631 173 A CB -0.911 18.106 19.000 0.029 0.000 0.822 173 A HN 0.521 nan 8.150 nan 0.000 0.447 174 E N 0.131 120.348 120.200 0.029 0.000 2.038 174 E HA -0.186 4.179 4.350 0.025 0.000 0.195 174 E C 1.873 178.510 176.600 0.060 0.000 1.000 174 E CA 1.589 58.010 56.400 0.035 0.000 0.803 174 E CB -0.912 28.798 29.700 0.017 0.000 0.750 174 E HN 0.706 nan 8.360 nan 0.000 0.448 175 I N 0.605 121.211 120.570 0.060 0.000 2.226 175 I HA -0.152 4.033 4.170 0.025 0.000 0.245 175 I C 3.049 179.283 176.117 0.196 0.000 1.100 175 I CA 1.036 62.408 61.300 0.120 0.000 1.374 175 I CB -0.395 37.618 38.000 0.022 0.000 1.057 175 I HN 0.367 nan 8.210 nan 0.000 0.413 176 A N 1.141 124.045 122.820 0.139 0.000 2.131 176 A HA -0.232 4.102 4.320 0.025 0.000 0.220 176 A C 2.435 180.102 177.584 0.138 0.000 1.158 176 A CA 2.132 54.265 52.037 0.160 0.000 0.665 176 A CB -0.805 18.270 19.000 0.126 0.000 0.795 176 A HN 0.465 nan 8.150 nan 0.000 0.460 177 K N -1.154 119.311 120.400 0.107 0.000 2.525 177 K HA 0.269 4.604 4.320 0.025 0.000 0.192 177 K C 1.601 178.227 176.600 0.043 0.000 1.029 177 K CA 1.373 57.704 56.287 0.072 0.000 1.029 177 K CB -0.989 31.546 32.500 0.057 0.000 0.814 177 K HN 0.804 nan 8.250 nan 0.000 0.503 178 R N -0.020 120.514 120.500 0.055 0.000 2.600 178 R HA 0.489 4.844 4.340 0.025 0.000 0.392 178 R C 1.803 178.007 176.300 -0.160 0.000 1.032 178 R CA 0.557 56.641 56.100 -0.027 0.000 1.139 178 R CB -1.145 29.163 30.300 0.014 0.000 1.400 178 R HN 0.163 nan 8.270 nan 0.000 0.566 179 V N 0.944 120.783 119.914 -0.125 0.000 2.223 179 V HA -0.350 3.785 4.120 0.025 0.000 0.244 179 V C 2.510 178.326 176.094 -0.463 0.000 1.045 179 V CA 2.263 64.392 62.300 -0.285 0.000 1.000 179 V CB -0.505 31.219 31.823 -0.164 0.000 0.635 179 V HN 0.653 nan 8.190 nan 0.000 0.445 180 Q N -0.406 119.090 119.800 -0.506 0.000 2.156 180 Q HA -0.271 4.084 4.340 0.025 0.000 0.211 180 Q C 2.277 178.126 176.000 -0.252 0.000 0.995 180 Q CA 2.157 57.698 55.803 -0.437 0.000 0.877 180 Q CB -0.450 28.125 28.738 -0.271 0.000 0.920 180 Q HN 0.601 nan 8.270 nan 0.000 0.416 181 L N -0.299 120.783 121.223 -0.235 0.000 1.989 181 L HA -0.226 4.129 4.340 0.025 0.000 0.211 181 L C 2.471 179.225 176.870 -0.194 0.000 1.071 181 L CA 1.142 55.876 54.840 -0.177 0.000 0.749 181 L CB -0.974 40.985 42.059 -0.167 0.000 0.890 181 L HN 0.110 nan 8.230 nan 0.000 0.431 182 V N 1.028 120.710 119.914 -0.386 0.000 2.219 182 V HA -0.338 3.797 4.120 0.025 0.000 0.248 182 V C 2.367 178.264 176.094 -0.329 0.000 1.053 182 V CA 2.509 64.503 62.300 -0.510 0.000 1.009 182 V CB -0.667 30.488 31.823 -1.113 0.000 0.636 182 V HN 0.397 nan 8.190 nan 0.000 0.445 183 I N -0.594 119.788 120.570 -0.314 0.000 2.058 183 I HA -0.308 3.876 4.170 0.025 0.000 0.235 183 I C 2.644 178.705 176.117 -0.093 0.000 1.053 183 I CA 2.546 63.741 61.300 -0.176 0.000 1.313 183 I CB -1.479 36.428 38.000 -0.154 0.000 1.039 183 I HN 0.398 nan 8.210 nan 0.000 0.396 184 H N 1.744 120.725 119.070 -0.149 0.000 2.368 184 H HA -0.218 4.353 4.556 0.024 0.000 0.292 184 H C 2.041 177.327 175.328 -0.070 0.000 1.117 184 H CA 2.722 58.716 56.048 -0.090 0.000 1.231 184 H CB -0.409 29.299 29.762 -0.089 0.000 1.359 184 H HN 0.390 nan 8.280 nan 0.000 0.490 185 T N 0.899 115.453 114.554 -0.000 0.000 2.614 185 T HA -0.115 4.250 4.350 0.025 0.000 0.263 185 T C 2.420 177.080 174.700 -0.067 0.000 1.055 185 T CA 2.102 64.184 62.100 -0.030 0.000 1.162 185 T CB -0.600 68.251 68.868 -0.029 0.000 0.863 185 T HN 0.225 nan 8.240 nan 0.000 0.414 186 V N 1.792 121.675 119.914 -0.051 0.000 2.282 186 V HA -0.230 3.905 4.120 0.025 0.000 0.249 186 V C 2.495 178.582 176.094 -0.012 0.000 1.057 186 V CA 2.217 64.527 62.300 0.017 0.000 1.032 186 V CB -0.751 31.067 31.823 -0.007 0.000 0.645 186 V HN 0.593 nan 8.190 nan 0.000 0.447 187 E N 0.163 120.312 120.200 -0.084 0.000 2.160 187 E HA -0.308 4.057 4.350 0.025 0.000 0.195 187 E C 2.316 178.827 176.600 -0.148 0.000 0.991 187 E CA 1.494 57.828 56.400 -0.111 0.000 0.810 187 E CB 0.008 29.635 29.700 -0.121 0.000 0.742 187 E HN 0.443 nan 8.360 nan 0.000 0.466 188 R N -0.191 120.189 120.500 -0.201 0.000 2.062 188 R HA -0.146 4.209 4.340 0.025 0.000 0.226 188 R C 2.227 178.502 176.300 -0.042 0.000 1.125 188 R CA 1.603 57.593 56.100 -0.183 0.000 0.966 188 R CB -1.164 28.979 30.300 -0.262 0.000 0.861 188 R HN 0.286 nan 8.270 nan 0.000 0.433 189 Y N 1.224 121.445 120.300 -0.131 0.000 2.053 189 Y HA -0.237 4.328 4.550 0.025 0.000 0.277 189 Y C 1.645 177.477 175.900 -0.114 0.000 1.159 189 Y CA 2.031 60.065 58.100 -0.109 0.000 1.125 189 Y CB -0.755 37.641 38.460 -0.107 0.000 0.969 189 Y HN 0.064 nan 8.280 nan 0.000 0.492 190 L N 0.309 121.304 121.223 -0.380 0.000 1.951 190 L HA -0.348 4.007 4.340 0.025 0.000 0.222 190 L C 2.540 179.244 176.870 -0.276 0.000 1.078 190 L CA 2.371 56.932 54.840 -0.465 0.000 0.778 190 L CB -0.972 40.942 42.059 -0.240 0.000 0.893 190 L HN 0.125 nan 8.230 nan 0.000 0.436 191 K N 0.093 120.407 120.400 -0.143 0.000 2.089 191 K HA -0.219 4.116 4.320 0.025 0.000 0.210 191 K C 2.124 178.687 176.600 -0.063 0.000 1.048 191 K CA 1.458 57.701 56.287 -0.073 0.000 0.926 191 K CB -0.396 32.067 32.500 -0.061 0.000 0.714 191 K HN 0.274 nan 8.250 nan 0.000 0.448 192 L N 0.876 122.050 121.223 -0.082 0.000 2.131 192 L HA -0.219 4.135 4.340 0.025 0.000 0.210 192 L C 2.490 179.326 176.870 -0.057 0.000 1.092 192 L CA 1.145 55.960 54.840 -0.040 0.000 0.759 192 L CB -0.250 41.816 42.059 0.012 0.000 0.903 192 L HN 0.305 nan 8.230 nan 0.000 0.435 193 Q N -0.812 118.876 119.800 -0.187 0.000 2.389 193 Q HA -0.089 4.266 4.340 0.025 0.000 0.204 193 Q C 2.306 178.401 176.000 0.159 0.000 0.944 193 Q CA 1.479 57.160 55.803 -0.204 0.000 0.908 193 Q CB 0.059 28.383 28.738 -0.691 0.000 1.002 193 Q HN 0.632 nan 8.270 nan 0.000 0.493 194 M N 0.367 120.048 119.600 0.136 0.000 2.549 194 M HA -0.060 4.435 4.480 0.025 0.000 0.260 194 M C 1.464 177.843 176.300 0.133 0.000 1.076 194 M CA 2.023 57.461 55.300 0.231 0.000 1.090 194 M CB -0.905 31.754 32.600 0.100 0.000 1.418 194 M HN 0.145 nan 8.290 nan 0.000 0.486 195 N N -0.712 118.051 118.700 0.105 0.000 2.332 195 N HA 0.092 4.847 4.740 0.025 0.000 0.190 195 N C 0.732 176.285 175.510 0.072 0.000 1.117 195 N CA 0.181 53.264 53.050 0.055 0.000 0.883 195 N CB 0.423 38.925 38.487 0.027 0.000 1.089 195 N HN 0.700 nan 8.380 nan 0.000 0.480 196 R N -0.336 120.236 120.500 0.120 0.000 2.524 196 R HA 0.596 4.951 4.340 0.025 0.000 0.236 196 R C 0.101 176.528 176.300 0.211 0.000 1.240 196 R CA -0.437 55.734 56.100 0.118 0.000 1.111 196 R CB -0.140 30.207 30.300 0.079 0.000 1.436 196 R HN -0.095 nan 8.270 nan 0.000 0.573 197 V N 0.746 120.762 119.914 0.170 0.000 2.530 197 V HA 0.111 4.246 4.120 0.025 0.000 0.282 197 V C -0.740 175.537 176.094 0.306 0.000 1.048 197 V CA -0.260 62.162 62.300 0.205 0.000 0.997 197 V CB 0.155 32.047 31.823 0.116 0.000 0.987 197 V HN 0.555 nan 8.190 nan 0.000 0.477 198 W N 4.758 126.022 121.300 -0.061 0.000 2.290 198 W HA 0.428 5.102 4.660 0.024 0.000 0.408 198 W C 0.465 177.022 176.519 0.064 0.000 0.966 198 W CA -0.821 56.452 57.345 -0.121 0.000 1.579 198 W CB 0.142 29.413 29.460 -0.314 0.000 1.662 198 W HN 0.859 nan 8.180 nan 0.000 0.341 199 D N 1.193 121.695 120.400 0.170 0.000 2.368 199 D HA 0.245 4.900 4.640 0.025 0.000 0.240 199 D C 1.509 177.947 176.300 0.230 0.000 1.169 199 D CA 0.513 54.606 54.000 0.155 0.000 0.906 199 D CB 1.453 42.291 40.800 0.064 0.000 1.187 199 D HN 0.249 nan 8.370 nan 0.000 0.435 200 A N 2.707 125.625 122.820 0.162 0.000 1.883 200 A HA -0.159 4.176 4.320 0.025 0.000 0.217 200 A C 2.124 179.747 177.584 0.064 0.000 1.186 200 A CA 2.445 54.550 52.037 0.114 0.000 0.624 200 A CB -1.542 17.463 19.000 0.007 0.000 0.822 200 A HN 0.759 nan 8.150 nan 0.000 0.444 201 E N -0.536 119.660 120.200 -0.006 0.000 2.338 201 E HA 0.180 4.545 4.350 0.025 0.000 0.197 201 E C 2.039 178.580 176.600 -0.098 0.000 1.007 201 E CA 1.619 57.960 56.400 -0.098 0.000 0.849 201 E CB -0.926 28.715 29.700 -0.097 0.000 0.774 201 E HN 0.948 nan 8.360 nan 0.000 0.506 202 A N -0.580 122.216 122.820 -0.040 0.000 1.898 202 A HA 0.112 4.446 4.320 0.025 0.000 0.214 202 A C 2.235 179.685 177.584 -0.223 0.000 1.183 202 A CA 1.277 53.229 52.037 -0.142 0.000 0.622 202 A CB -0.494 18.369 19.000 -0.229 0.000 0.824 202 A HN 0.529 nan 8.150 nan 0.000 0.444 203 Y N 0.938 121.109 120.300 -0.214 0.000 2.097 203 Y HA -0.213 4.352 4.550 0.025 0.000 0.282 203 Y C 3.108 178.900 175.900 -0.179 0.000 1.152 203 Y CA 1.835 59.817 58.100 -0.198 0.000 1.136 203 Y CB -0.636 37.782 38.460 -0.071 0.000 0.975 203 Y HN 0.269 nan 8.280 nan 0.000 0.498 204 S N 0.148 115.844 115.700 -0.008 0.000 2.359 204 S HA -0.236 4.249 4.470 0.025 0.000 0.223 204 S C 1.867 176.348 174.600 -0.199 0.000 1.039 204 S CA 1.566 59.673 58.200 -0.155 0.000 1.042 204 S CB -0.486 62.517 63.200 -0.328 0.000 0.915 204 S HN 0.490 nan 8.310 nan 0.000 0.439 205 N N 0.843 119.417 118.700 -0.210 0.000 2.244 205 N HA 0.066 4.820 4.740 0.025 0.000 0.183 205 N C 1.591 177.136 175.510 0.058 0.000 1.016 205 N CA 0.903 53.884 53.050 -0.114 0.000 0.866 205 N CB -0.255 38.185 38.487 -0.077 0.000 0.980 205 N HN 0.434 nan 8.380 nan 0.000 0.430 206 M N 0.201 119.795 119.600 -0.009 0.000 2.319 206 M HA -0.086 4.409 4.480 0.025 0.000 0.265 206 M C 1.869 178.153 176.300 -0.027 0.000 1.068 206 M CA 0.774 56.035 55.300 -0.066 0.000 1.118 206 M CB -0.242 32.115 32.600 -0.406 0.000 1.395 206 M HN 0.206 nan 8.290 nan 0.000 0.435 207 N N 0.191 118.884 118.700 -0.012 0.000 2.080 207 N HA -0.147 4.608 4.740 0.025 0.000 0.189 207 N C 1.894 177.443 175.510 0.066 0.000 1.036 207 N CA 0.797 53.861 53.050 0.023 0.000 0.846 207 N CB 0.205 38.709 38.487 0.028 0.000 1.015 207 N HN 0.171 nan 8.380 nan 0.000 0.423 208 R N 0.992 121.551 120.500 0.099 0.000 2.096 208 R HA -0.132 4.223 4.340 0.025 0.000 0.240 208 R C 2.205 178.583 176.300 0.130 0.000 1.139 208 R CA 1.306 57.503 56.100 0.162 0.000 0.952 208 R CB -1.163 29.293 30.300 0.261 0.000 0.854 208 R HN 0.352 nan 8.270 nan 0.000 0.436 209 A N 0.689 123.582 122.820 0.120 0.000 1.849 209 A HA -0.181 4.154 4.320 0.025 0.000 0.217 209 A C 2.505 180.138 177.584 0.082 0.000 1.202 209 A CA 2.326 54.435 52.037 0.120 0.000 0.629 209 A CB -0.952 18.176 19.000 0.213 0.000 0.834 209 A HN 0.138 nan 8.150 nan 0.000 0.447 210 V N 0.160 120.108 119.914 0.057 0.000 2.392 210 V HA -0.282 3.853 4.120 0.025 0.000 0.249 210 V C 2.448 178.583 176.094 0.068 0.000 1.059 210 V CA 2.391 64.717 62.300 0.043 0.000 1.051 210 V CB -0.777 31.057 31.823 0.018 0.000 0.658 210 V HN 0.532 nan 8.190 nan 0.000 0.455 211 K N -0.789 119.659 120.400 0.080 0.000 2.057 211 K HA -0.175 4.160 4.320 0.025 0.000 0.206 211 K C 2.328 179.009 176.600 0.135 0.000 1.050 211 K CA 1.520 57.864 56.287 0.095 0.000 0.935 211 K CB -0.615 31.941 32.500 0.094 0.000 0.715 211 K HN 0.549 nan 8.250 nan 0.000 0.439 212 C N 1.040 120.430 119.300 0.151 0.000 2.388 212 C HA -0.177 4.298 4.460 0.025 0.000 0.277 212 C C 2.573 177.737 174.990 0.291 0.000 1.210 212 C CA 0.994 60.148 59.018 0.227 0.000 1.743 212 C CB -0.828 27.007 27.740 0.159 0.000 2.047 212 C HN 0.261 nan 8.230 nan 0.000 0.458 213 V N 1.529 121.530 119.914 0.144 0.000 2.220 213 V HA -0.170 3.965 4.120 0.025 0.000 0.250 213 V C 2.810 179.027 176.094 0.204 0.000 1.056 213 V CA 2.657 65.027 62.300 0.116 0.000 1.016 213 V CB -1.753 30.104 31.823 0.056 0.000 0.639 213 V HN 0.753 nan 8.190 nan 0.000 0.446 214 G N -0.486 108.408 108.800 0.156 0.000 2.574 214 G HA2 -0.354 3.621 3.960 0.025 0.000 0.220 214 G HA3 -0.354 3.621 3.960 0.025 0.000 0.220 214 G C 1.637 176.634 174.900 0.161 0.000 1.173 214 G CA 1.988 47.175 45.100 0.145 0.000 0.772 214 G HN 0.516 nan 8.290 nan 0.000 0.585 215 T N 0.032 114.687 114.554 0.169 0.000 2.699 215 T HA -0.201 4.164 4.350 0.025 0.000 0.268 215 T C 1.957 176.717 174.700 0.099 0.000 1.036 215 T CA 1.553 63.717 62.100 0.106 0.000 1.147 215 T CB -0.353 68.560 68.868 0.075 0.000 0.862 215 T HN 0.526 nan 8.240 nan 0.000 0.446 216 W N 0.888 122.205 121.300 0.028 0.000 2.465 216 W HA 0.100 4.774 4.660 0.023 0.000 0.268 216 W C 1.959 178.505 176.519 0.046 0.000 1.242 216 W CA -0.099 57.262 57.345 0.026 0.000 1.248 216 W CB -0.397 29.070 29.460 0.011 0.000 1.118 216 W HN 0.189 nan 8.180 nan 0.000 0.587 217 I N 0.938 121.669 120.570 0.269 0.000 2.333 217 I HA -0.199 3.986 4.170 0.025 0.000 0.246 217 I C 2.261 178.464 176.117 0.144 0.000 1.106 217 I CA 1.598 63.022 61.300 0.206 0.000 1.411 217 I CB -1.442 36.668 38.000 0.183 0.000 1.082 217 I HN 0.160 nan 8.210 nan 0.000 0.420 218 K N 0.309 120.772 120.400 0.105 0.000 2.186 218 K HA -0.005 4.330 4.320 0.025 0.000 0.202 218 K C 1.566 178.189 176.600 0.037 0.000 1.052 218 K CA 0.810 57.138 56.287 0.067 0.000 0.965 218 K CB -0.112 32.419 32.500 0.052 0.000 0.746 218 K HN 0.225 nan 8.250 nan 0.000 0.457 219 N N 0.893 119.598 118.700 0.009 0.000 2.182 219 N HA 0.021 4.776 4.740 0.025 0.000 0.186 219 N C 0.490 175.986 175.510 -0.023 0.000 1.036 219 N CA 0.719 53.740 53.050 -0.048 0.000 0.850 219 N CB 0.165 38.560 38.487 -0.153 0.000 1.010 219 N HN 0.108 nan 8.380 nan 0.000 0.432 220 I N 0.709 121.286 120.570 0.011 0.000 2.498 220 I HA 0.320 4.505 4.170 0.025 0.000 0.301 220 I C 0.828 177.039 176.117 0.157 0.000 0.984 220 I CA -0.675 60.673 61.300 0.081 0.000 1.204 220 I CB 1.001 39.083 38.000 0.138 0.000 1.362 220 I HN -0.080 nan 8.210 nan 0.000 0.471 221 G N 4.469 113.364 108.800 0.158 0.000 2.356 221 G HA2 0.451 4.426 3.960 0.025 0.000 0.322 221 G HA3 0.451 4.426 3.960 0.025 0.000 0.322 221 G C -1.681 173.381 174.900 0.269 0.000 1.125 221 G CA -0.136 45.077 45.100 0.187 0.000 0.885 221 G HN 0.447 nan 8.290 nan 0.000 0.467 222 Y N 0.798 121.160 120.300 0.103 0.000 2.499 222 Y HA 0.543 5.109 4.550 0.027 0.000 0.347 222 Y C 0.547 176.473 175.900 0.044 0.000 0.987 222 Y CA -0.929 57.217 58.100 0.078 0.000 1.044 222 Y CB 1.766 40.270 38.460 0.074 0.000 1.245 222 Y HN 0.581 nan 8.280 nan 0.000 0.461 223 T N 6.341 120.451 114.554 -0.740 0.000 2.928 223 T HA 0.117 4.482 4.350 0.025 0.000 0.305 223 T C 1.844 176.147 174.700 -0.662 0.000 1.035 223 T CA 0.402 62.090 62.100 -0.686 0.000 1.145 223 T CB 0.247 68.692 68.868 -0.705 0.000 0.963 223 T HN 0.628 nan 8.240 nan 0.000 0.545 224 I N 1.822 122.094 120.570 -0.496 0.000 2.361 224 I HA -0.174 4.011 4.170 0.025 0.000 0.251 224 I C 2.368 178.328 176.117 -0.261 0.000 1.133 224 I CA 1.269 62.415 61.300 -0.258 0.000 1.413 224 I CB -0.518 37.387 38.000 -0.158 0.000 1.073 224 I HN 0.750 nan 8.210 nan 0.000 0.424 225 E N 1.075 121.025 120.200 -0.417 0.000 2.219 225 E HA -0.183 4.182 4.350 0.025 0.000 0.198 225 E C 2.115 178.627 176.600 -0.146 0.000 0.998 225 E CA 1.204 57.447 56.400 -0.261 0.000 0.818 225 E CB -0.288 29.238 29.700 -0.290 0.000 0.741 225 E HN 0.656 nan 8.360 nan 0.000 0.477 226 G N -0.365 108.331 108.800 -0.173 0.000 3.126 226 G HA2 -0.043 3.932 3.960 0.025 0.000 0.224 226 G HA3 -0.043 3.932 3.960 0.025 0.000 0.224 226 G C 1.162 176.177 174.900 0.192 0.000 1.142 226 G CA -0.194 44.964 45.100 0.096 0.000 0.759 226 G HN 0.243 nan 8.290 nan 0.000 0.550 227 C N 0.233 119.592 119.300 0.098 0.000 2.696 227 C HA 0.157 4.632 4.460 0.025 0.000 0.264 227 C C 2.664 177.683 174.990 0.047 0.000 1.288 227 C CA -0.185 58.901 59.018 0.113 0.000 1.717 227 C CB -0.529 27.285 27.740 0.122 0.000 1.893 227 C HN 0.291 nan 8.230 nan 0.000 0.577 228 V N 1.705 121.629 119.914 0.017 0.000 2.407 228 V HA -0.212 3.923 4.120 0.025 0.000 0.248 228 V C 2.470 178.550 176.094 -0.024 0.000 1.055 228 V CA 2.612 64.901 62.300 -0.018 0.000 1.049 228 V CB -1.281 30.532 31.823 -0.017 0.000 0.662 228 V HN 0.591 nan 8.190 nan 0.000 0.455 229 T N 1.265 115.822 114.554 0.004 0.000 2.595 229 T HA -0.171 4.194 4.350 0.025 0.000 0.264 229 T C 1.830 176.520 174.700 -0.016 0.000 1.058 229 T CA 2.133 64.232 62.100 -0.002 0.000 1.166 229 T CB -0.405 68.474 68.868 0.019 0.000 0.863 229 T HN 0.361 nan 8.240 nan 0.000 0.415 230 I N 1.824 122.393 120.570 -0.002 0.000 2.163 230 I HA -0.166 4.019 4.170 0.025 0.000 0.243 230 I C 2.708 178.809 176.117 -0.026 0.000 1.085 230 I CA 1.302 62.595 61.300 -0.011 0.000 1.347 230 I CB -1.693 36.313 38.000 0.010 0.000 1.044 230 I HN 0.211 nan 8.210 nan 0.000 0.408 231 T N 0.986 115.519 114.554 -0.034 0.000 2.620 231 T HA -0.327 4.038 4.350 0.025 0.000 0.267 231 T C 2.077 176.685 174.700 -0.153 0.000 1.044 231 T CA 2.207 64.242 62.100 -0.108 0.000 1.161 231 T CB -0.735 68.024 68.868 -0.180 0.000 0.862 231 T HN 0.526 nan 8.240 nan 0.000 0.438 232 A N 0.746 123.492 122.820 -0.124 0.000 1.902 232 A HA -0.058 4.277 4.320 0.025 0.000 0.217 232 A C 2.633 180.189 177.584 -0.047 0.000 1.181 232 A CA 1.702 53.681 52.037 -0.096 0.000 0.623 232 A CB -0.988 17.970 19.000 -0.069 0.000 0.818 232 A HN 0.385 nan 8.150 nan 0.000 0.443 233 V N 0.341 120.233 119.914 -0.036 0.000 2.261 233 V HA -0.278 3.857 4.120 0.025 0.000 0.246 233 V C 2.564 178.657 176.094 -0.001 0.000 1.047 233 V CA 1.963 64.253 62.300 -0.016 0.000 1.015 233 V CB -1.012 30.792 31.823 -0.031 0.000 0.642 233 V HN 0.568 nan 8.190 nan 0.000 0.446 234 L N -0.736 120.477 121.223 -0.016 0.000 2.013 234 L HA -0.238 4.117 4.340 0.025 0.000 0.212 234 L C 2.535 179.406 176.870 0.002 0.000 1.073 234 L CA 1.617 56.455 54.840 -0.004 0.000 0.753 234 L CB -0.713 41.343 42.059 -0.005 0.000 0.890 234 L HN 0.295 nan 8.230 nan 0.000 0.432 235 L N 0.071 121.278 121.223 -0.026 0.000 1.990 235 L HA -0.274 4.081 4.340 0.025 0.000 0.213 235 L C 2.790 179.701 176.870 0.068 0.000 1.072 235 L CA 2.146 56.969 54.840 -0.028 0.000 0.755 235 L CB -0.582 41.449 42.059 -0.045 0.000 0.889 235 L HN 0.429 nan 8.230 nan 0.000 0.432 236 E N -0.813 119.459 120.200 0.121 0.000 2.150 236 E HA -0.159 4.206 4.350 0.025 0.000 0.193 236 E C 2.049 178.759 176.600 0.182 0.000 0.985 236 E CA 1.338 57.852 56.400 0.190 0.000 0.814 236 E CB -0.386 29.377 29.700 0.105 0.000 0.752 236 E HN 0.289 nan 8.360 nan 0.000 0.466 237 V N 1.491 121.493 119.914 0.147 0.000 2.295 237 V HA -0.255 3.880 4.120 0.025 0.000 0.246 237 V C 2.490 178.704 176.094 0.200 0.000 1.049 237 V CA 1.523 63.954 62.300 0.219 0.000 1.024 237 V CB -0.312 31.592 31.823 0.135 0.000 0.648 237 V HN 0.208 nan 8.190 nan 0.000 0.447 238 V N -0.346 119.628 119.914 0.100 0.000 2.219 238 V HA -0.339 3.796 4.120 0.025 0.000 0.248 238 V C 2.436 178.602 176.094 0.119 0.000 1.053 238 V CA 2.436 64.762 62.300 0.043 0.000 1.009 238 V CB -0.995 30.768 31.823 -0.099 0.000 0.636 238 V HN 0.582 nan 8.190 nan 0.000 0.445 239 H N 0.751 119.938 119.070 0.194 0.000 2.292 239 H HA -0.217 4.354 4.556 0.025 0.000 0.292 239 H C 2.328 177.838 175.328 0.304 0.000 1.100 239 H CA 2.079 58.339 56.048 0.354 0.000 1.238 239 H CB -0.423 29.562 29.762 0.371 0.000 1.355 239 H HN 0.443 nan 8.280 nan 0.000 0.484 240 K N -0.297 120.262 120.400 0.265 0.000 2.442 240 K HA -0.096 4.239 4.320 0.025 0.000 0.199 240 K C 2.118 178.742 176.600 0.040 0.000 1.044 240 K CA 0.865 57.163 56.287 0.018 0.000 0.941 240 K CB 0.098 32.409 32.500 -0.314 0.000 0.759 240 K HN 0.262 nan 8.250 nan 0.000 0.472 241 C N -1.345 118.060 119.300 0.175 0.000 2.700 241 C HA 0.073 4.548 4.460 0.025 0.000 0.297 241 C C 2.140 177.222 174.990 0.153 0.000 1.293 241 C CA -0.434 58.708 59.018 0.207 0.000 1.756 241 C CB -0.441 27.445 27.740 0.243 0.000 2.210 241 C HN 0.477 nan 8.230 nan 0.000 0.553 242 Y N -0.440 119.839 120.300 -0.035 0.000 2.389 242 Y HA 0.100 4.666 4.550 0.026 0.000 0.292 242 Y C 1.850 177.581 175.900 -0.282 0.000 1.117 242 Y CA 0.880 58.846 58.100 -0.224 0.000 1.195 242 Y CB -0.432 37.773 38.460 -0.426 0.000 1.076 242 Y HN 0.396 nan 8.280 nan 0.000 0.548 243 W N 1.871 123.103 121.300 -0.113 0.000 2.519 243 W HA 0.016 4.691 4.660 0.024 0.000 0.266 243 W C -0.393 176.007 176.519 -0.197 0.000 1.253 243 W CA 0.814 58.030 57.345 -0.214 0.000 1.274 243 W CB -1.249 28.168 29.460 -0.071 0.000 1.114 243 W HN 0.162 nan 8.180 nan 0.000 0.596 244 P HA -0.012 nan 4.420 nan 0.000 0.224 244 P C 1.506 178.771 177.300 -0.060 0.000 1.157 244 P CA 1.803 64.899 63.100 -0.007 0.000 0.799 244 P CB -0.324 31.370 31.700 -0.011 0.000 0.809 245 C N 0.840 120.065 119.300 -0.124 0.000 2.481 245 C HA 0.405 4.880 4.460 0.025 0.000 0.275 245 C C 1.818 176.695 174.990 -0.188 0.000 1.419 245 C CA 0.436 59.370 59.018 -0.140 0.000 1.773 245 C CB -1.602 26.055 27.740 -0.139 0.000 1.862 245 C HN 0.206 nan 8.230 nan 0.000 0.530 246 I N 1.044 121.452 120.570 -0.270 0.000 2.260 246 I HA 0.626 4.811 4.170 0.025 0.000 0.297 246 I C 0.425 176.501 176.117 -0.068 0.000 1.143 246 I CA 1.272 62.434 61.300 -0.230 0.000 1.271 246 I CB -2.146 nan 38.000 nan 0.000 1.461 246 I HN 1.664 nan 8.210 nan 0.000 0.530 252 C N 1.998 121.279 119.300 -0.031 0.000 2.520 252 C HA 0.770 5.245 4.460 0.025 0.000 0.369 252 C C 1.000 175.974 174.990 -0.027 0.000 1.244 252 C CA -1.185 57.822 59.018 -0.018 0.000 1.677 252 C CB -1.588 26.140 27.740 -0.020 0.000 2.324 252 C HN 0.526 nan 8.230 nan 0.000 0.557 253 M N 3.459 123.050 119.600 -0.015 0.000 2.471 253 M HA 0.584 5.079 4.480 0.025 0.000 0.309 253 M C 0.569 176.848 176.300 -0.034 0.000 1.186 253 M CA -0.159 55.128 55.300 -0.023 0.000 1.008 253 M CB 0.675 33.278 32.600 0.004 0.000 1.551 253 M HN 0.701 nan 8.290 nan 0.000 0.477 254 T N -0.978 113.540 114.554 -0.059 0.000 2.855 254 T HA 0.343 4.708 4.350 0.025 0.000 0.314 254 T C 1.205 175.857 174.700 -0.080 0.000 1.077 254 T CA -0.204 61.845 62.100 -0.084 0.000 1.095 254 T CB 0.716 69.499 68.868 -0.141 0.000 0.987 254 T HN 0.766 nan 8.240 nan 0.000 0.546 255 A N 1.381 124.156 122.820 -0.075 0.000 1.940 255 A HA -0.126 4.209 4.320 0.025 0.000 0.219 255 A C 2.078 179.619 177.584 -0.073 0.000 1.176 255 A CA 1.728 53.730 52.037 -0.058 0.000 0.631 255 A CB -0.924 18.047 19.000 -0.048 0.000 0.814 255 A HN 0.957 nan 8.150 nan 0.000 0.446 256 D N -0.036 120.281 120.400 -0.139 0.000 2.123 256 D HA -0.181 4.474 4.640 0.025 0.000 0.196 256 D C 1.781 178.011 176.300 -0.117 0.000 0.992 256 D CA 1.696 55.582 54.000 -0.191 0.000 0.833 256 D CB -0.386 40.166 40.800 -0.415 0.000 0.954 256 D HN 0.710 nan 8.370 nan 0.000 0.455 257 E N 0.499 120.623 120.200 -0.127 0.000 2.107 257 E HA -0.105 4.260 4.350 0.025 0.000 0.191 257 E C 2.001 178.657 176.600 0.094 0.000 0.982 257 E CA 0.259 56.720 56.400 0.101 0.000 0.809 257 E CB 0.023 29.778 29.700 0.091 0.000 0.756 257 E HN 0.123 nan 8.360 nan 0.000 0.459 258 N N 1.583 120.298 118.700 0.024 0.000 2.106 258 N HA -0.196 4.559 4.740 0.025 0.000 0.188 258 N C 1.857 177.361 175.510 -0.010 0.000 1.029 258 N CA 1.518 54.572 53.050 0.007 0.000 0.848 258 N CB 0.026 38.510 38.487 -0.005 0.000 1.007 258 N HN 0.369 nan 8.380 nan 0.000 0.423 259 E N 0.471 120.669 120.200 -0.004 0.000 2.038 259 E HA -0.209 4.156 4.350 0.025 0.000 0.195 259 E C 2.175 178.775 176.600 -0.001 0.000 1.000 259 E CA 1.110 57.505 56.400 -0.008 0.000 0.803 259 E CB -0.670 29.032 29.700 0.003 0.000 0.750 259 E HN 0.199 nan 8.360 nan 0.000 0.448 260 L N 1.212 122.467 121.223 0.054 0.000 2.079 260 L HA -0.132 4.223 4.340 0.025 0.000 0.210 260 L C 2.452 179.343 176.870 0.035 0.000 1.081 260 L CA 2.185 57.068 54.840 0.073 0.000 0.752 260 L CB -0.696 41.475 42.059 0.187 0.000 0.896 260 L HN 0.327 nan 8.230 nan 0.000 0.433 261 A N -0.728 122.109 122.820 0.027 0.000 1.841 261 A HA -0.212 4.123 4.320 0.025 0.000 0.214 261 A C 2.086 179.597 177.584 -0.120 0.000 1.195 261 A CA 1.669 53.693 52.037 -0.023 0.000 0.611 261 A CB -0.717 18.269 19.000 -0.025 0.000 0.835 261 A HN 0.575 nan 8.150 nan 0.000 0.443 262 E N 0.472 120.549 120.200 -0.206 0.000 2.035 262 E HA -0.259 4.106 4.350 0.025 0.000 0.204 262 E C 2.369 178.803 176.600 -0.276 0.000 1.025 262 E CA 2.068 58.199 56.400 -0.449 0.000 0.835 262 E CB -0.445 28.972 29.700 -0.471 0.000 0.764 262 E HN 0.775 nan 8.360 nan 0.000 0.457 263 S N 0.783 116.400 115.700 -0.139 0.000 2.392 263 S HA -0.255 4.230 4.470 0.025 0.000 0.232 263 S C 2.312 176.893 174.600 -0.031 0.000 1.041 263 S CA 1.500 59.666 58.200 -0.055 0.000 1.026 263 S CB -0.930 62.264 63.200 -0.011 0.000 0.845 263 S HN 0.327 nan 8.310 nan 0.000 0.465 264 C N 1.463 120.740 119.300 -0.037 0.000 2.453 264 C HA 0.112 4.587 4.460 0.025 0.000 0.277 264 C C 3.305 178.293 174.990 -0.003 0.000 1.262 264 C CA 1.006 60.017 59.018 -0.011 0.000 1.718 264 C CB -1.821 25.913 27.740 -0.009 0.000 2.031 264 C HN 0.742 nan 8.230 nan 0.000 0.480 265 L N 0.790 121.984 121.223 -0.049 0.000 2.017 265 L HA -0.113 4.242 4.340 0.025 0.000 0.208 265 L C 2.449 179.333 176.870 0.023 0.000 1.073 265 L CA 2.487 57.312 54.840 -0.024 0.000 0.745 265 L CB -1.525 40.478 42.059 -0.093 0.000 0.894 265 L HN 0.465 nan 8.230 nan 0.000 0.432 266 K N -0.473 119.924 120.400 -0.006 0.000 2.063 266 K HA -0.168 4.167 4.320 0.025 0.000 0.208 266 K C 2.221 178.862 176.600 0.068 0.000 1.048 266 K CA 1.777 58.094 56.287 0.049 0.000 0.928 266 K CB -0.577 31.943 32.500 0.034 0.000 0.713 266 K HN 0.670 nan 8.250 nan 0.000 0.442 267 T N 1.707 116.300 114.554 0.065 0.000 2.720 267 T HA -0.138 4.227 4.350 0.025 0.000 0.268 267 T C 1.886 176.661 174.700 0.125 0.000 1.037 267 T CA 1.387 63.542 62.100 0.091 0.000 1.144 267 T CB -0.118 68.798 68.868 0.080 0.000 0.864 267 T HN 0.196 nan 8.240 nan 0.000 0.444 268 M N 0.589 120.279 119.600 0.150 0.000 2.117 268 M HA -0.096 4.399 4.480 0.025 0.000 0.262 268 M C 2.468 178.885 176.300 0.196 0.000 1.065 268 M CA 1.252 56.715 55.300 0.273 0.000 1.114 268 M CB -0.765 32.097 32.600 0.437 0.000 1.361 268 M HN 0.116 nan 8.290 nan 0.000 0.408 269 V N 1.209 121.183 119.914 0.099 0.000 2.233 269 V HA -0.298 3.837 4.120 0.025 0.000 0.247 269 V C 2.048 178.181 176.094 0.065 0.000 1.050 269 V CA 1.966 64.288 62.300 0.036 0.000 1.010 269 V CB -1.046 30.800 31.823 0.037 0.000 0.637 269 V HN 0.487 nan 8.190 nan 0.000 0.444 270 N N 0.115 118.866 118.700 0.086 0.000 2.132 270 N HA -0.179 4.576 4.740 0.025 0.000 0.191 270 N C 1.769 177.348 175.510 0.116 0.000 1.015 270 N CA 1.772 54.877 53.050 0.093 0.000 0.864 270 N CB -0.387 38.160 38.487 0.101 0.000 1.006 270 N HN 0.469 nan 8.380 nan 0.000 0.430 271 I N 1.048 121.705 120.570 0.145 0.000 2.179 271 I HA -0.224 3.961 4.170 0.025 0.000 0.242 271 I C 2.017 178.238 176.117 0.173 0.000 1.088 271 I CA 1.100 62.505 61.300 0.175 0.000 1.357 271 I CB -0.133 38.003 38.000 0.227 0.000 1.051 271 I HN 0.043 nan 8.210 nan 0.000 0.409 272 I N 0.165 120.828 120.570 0.156 0.000 2.406 272 I HA -0.216 3.969 4.170 0.025 0.000 0.249 272 I C 2.490 178.686 176.117 0.130 0.000 1.122 272 I CA 0.970 62.377 61.300 0.178 0.000 1.431 272 I CB -0.201 37.853 38.000 0.090 0.000 1.087 272 I HN 0.212 nan 8.210 nan 0.000 0.424 273 I N 1.250 121.859 120.570 0.064 0.000 2.567 273 I HA -0.203 3.982 4.170 0.025 0.000 0.257 273 I C 1.055 177.187 176.117 0.025 0.000 1.184 273 I CA 0.693 62.006 61.300 0.021 0.000 1.451 273 I CB -0.131 37.885 38.000 0.026 0.000 1.089 273 I HN 0.320 nan 8.210 nan 0.000 0.441 274 Q N 1.475 121.316 119.800 0.068 0.000 2.437 274 Q HA -0.167 4.188 4.340 0.025 0.000 0.363 274 Q C -1.575 174.454 176.000 0.050 0.000 1.206 274 Q CA -0.323 55.526 55.803 0.077 0.000 1.070 274 Q CB -0.173 28.634 28.738 0.114 0.000 1.208 274 Q HN 0.268 nan 8.270 nan 0.000 0.423 275 P HA -0.159 nan 4.420 nan 0.000 0.215 275 P C 0.912 178.237 177.300 0.041 0.000 1.157 275 P CA 2.027 65.144 63.100 0.030 0.000 0.863 275 P CB -0.039 31.681 31.700 0.033 0.000 0.787 276 D N -0.813 119.636 120.400 0.082 0.000 2.178 276 D HA -0.187 4.468 4.640 0.025 0.000 0.202 276 D C 1.846 178.253 176.300 0.179 0.000 0.974 276 D CA 1.503 55.570 54.000 0.111 0.000 0.841 276 D CB -1.753 39.145 40.800 0.163 0.000 0.953 276 D HN 0.177 nan 8.370 nan 0.000 0.478 277 C N 0.066 119.511 119.300 0.242 0.000 2.396 277 C HA -0.073 4.402 4.460 0.025 0.000 0.279 277 C C 2.894 178.114 174.990 0.383 0.000 1.229 277 C CA 1.787 61.037 59.018 0.388 0.000 1.801 277 C CB -2.256 25.684 27.740 0.333 0.000 2.050 277 C HN 0.868 nan 8.230 nan 0.000 0.491 278 H N 0.966 120.114 119.070 0.129 0.000 2.394 278 H HA -0.172 4.399 4.556 0.025 0.000 0.297 278 H C 1.804 177.218 175.328 0.143 0.000 1.113 278 H CA 2.022 58.130 56.048 0.099 0.000 1.277 278 H CB -0.916 28.831 29.762 -0.026 0.000 1.370 278 H HN 0.696 nan 8.280 nan 0.000 0.506 279 N N -0.399 118.311 118.700 0.018 0.000 2.461 279 N HA -0.019 4.736 4.740 0.025 0.000 0.188 279 N C -0.490 174.921 175.510 -0.165 0.000 1.134 279 N CA 0.245 53.226 53.050 -0.116 0.000 0.878 279 N CB 0.045 38.372 38.487 -0.267 0.000 0.972 279 N HN 0.797 nan 8.380 nan 0.000 0.456 280 Y N 0.494 120.858 120.300 0.108 0.000 2.883 280 Y HA 0.252 4.819 4.550 0.028 0.000 0.385 280 Y C -1.285 174.661 175.900 0.078 0.000 1.067 280 Y CA -1.958 56.192 58.100 0.082 0.000 1.682 280 Y CB 0.684 39.189 38.460 0.075 0.000 1.606 280 Y HN -0.012 nan 8.280 nan 0.000 0.508 281 P HA -0.280 nan 4.420 nan 0.000 0.219 281 P C 0.811 178.192 177.300 0.135 0.000 1.149 281 P CA 1.746 64.922 63.100 0.127 0.000 0.835 281 P CB 0.355 32.105 31.700 0.082 0.000 0.778 282 K N -1.131 119.361 120.400 0.153 0.000 1.991 282 K HA -0.024 4.311 4.320 0.025 0.000 0.207 282 K C 2.113 178.805 176.600 0.153 0.000 1.045 282 K CA 1.678 58.053 56.287 0.148 0.000 0.937 282 K CB -1.828 30.748 32.500 0.127 0.000 0.720 282 K HN 0.059 nan 8.250 nan 0.000 0.438 283 T N 1.085 115.714 114.554 0.124 0.000 2.867 283 T HA -0.055 4.310 4.350 0.025 0.000 0.268 283 T C 2.043 176.779 174.700 0.060 0.000 1.057 283 T CA 1.149 63.286 62.100 0.062 0.000 1.136 283 T CB -0.477 68.376 68.868 -0.024 0.000 0.874 283 T HN 0.323 nan 8.240 nan 0.000 0.466 284 A N 1.562 124.408 122.820 0.043 0.000 1.865 284 A HA -0.073 4.262 4.320 0.025 0.000 0.217 284 A C 2.011 179.561 177.584 -0.058 0.000 1.191 284 A CA 1.556 53.505 52.037 -0.148 0.000 0.623 284 A CB -1.073 17.671 19.000 -0.427 0.000 0.826 284 A HN 0.466 nan 8.150 nan 0.000 0.444 285 F N 0.806 120.715 119.950 -0.069 0.000 2.102 285 F HA -0.151 4.390 4.527 0.024 0.000 0.298 285 F C 2.246 178.060 175.800 0.022 0.000 1.105 285 F CA 1.879 59.867 58.000 -0.021 0.000 1.239 285 F CB -0.528 38.470 39.000 -0.004 0.000 0.991 285 F HN 0.032 nan 8.300 nan 0.000 0.474 286 V N 1.163 121.080 119.914 0.006 0.000 2.219 286 V HA -0.368 3.767 4.120 0.025 0.000 0.248 286 V C 2.594 178.622 176.094 -0.109 0.000 1.053 286 V CA 2.323 64.581 62.300 -0.071 0.000 1.009 286 V CB -1.004 30.842 31.823 0.037 0.000 0.636 286 V HN 0.409 nan 8.190 nan 0.000 0.445 287 L N -0.679 120.546 121.223 0.003 0.000 1.970 287 L HA -0.235 4.120 4.340 0.025 0.000 0.212 287 L C 2.434 179.495 176.870 0.318 0.000 1.071 287 L CA 2.048 56.951 54.840 0.105 0.000 0.751 287 L CB -0.620 41.623 42.059 0.306 0.000 0.889 287 L HN 0.298 nan 8.230 nan 0.000 0.432 288 I N 0.387 121.113 120.570 0.260 0.000 2.194 288 I HA -0.364 3.821 4.170 0.025 0.000 0.246 288 I C 3.143 179.299 176.117 0.065 0.000 1.093 288 I CA 1.921 63.356 61.300 0.225 0.000 1.355 288 I CB -0.796 37.185 38.000 -0.032 0.000 1.046 288 I HN 0.287 nan 8.210 nan 0.000 0.413 289 K N 1.592 121.843 120.400 -0.249 0.000 2.097 289 K HA -0.153 4.182 4.320 0.025 0.000 0.206 289 K C 1.906 178.437 176.600 -0.115 0.000 1.049 289 K CA 1.911 58.007 56.287 -0.318 0.000 0.933 289 K CB -1.082 31.032 32.500 -0.644 0.000 0.717 289 K HN 0.643 nan 8.250 nan 0.000 0.442 290 M N -2.201 117.345 119.600 -0.090 0.000 2.349 290 M HA 0.212 4.707 4.480 0.025 0.000 0.266 290 M C 2.099 178.382 176.300 -0.029 0.000 1.076 290 M CA 1.291 56.539 55.300 -0.088 0.000 1.126 290 M CB -0.492 32.008 32.600 -0.165 0.000 1.392 290 M HN 0.136 nan 8.290 nan 0.000 0.440 291 F N 1.437 121.417 119.950 0.051 0.000 2.075 291 F HA -0.162 4.380 4.527 0.026 0.000 0.297 291 F C 2.347 178.307 175.800 0.267 0.000 1.113 291 F CA 1.261 59.367 58.000 0.177 0.000 1.218 291 F CB -0.758 38.403 39.000 0.268 0.000 0.984 291 F HN 0.103 nan 8.300 nan 0.000 0.472 292 L N 1.220 122.635 121.223 0.319 0.000 1.970 292 L HA -0.203 4.152 4.340 0.025 0.000 0.212 292 L C 2.213 179.123 176.870 0.066 0.000 1.071 292 L CA 2.654 57.489 54.840 -0.009 0.000 0.751 292 L CB -1.662 40.274 42.059 -0.205 0.000 0.889 292 L HN 0.300 nan 8.230 nan 0.000 0.432 293 D N -2.700 117.729 120.400 0.049 0.000 2.378 293 D HA -0.075 4.580 4.640 0.025 0.000 0.222 293 D C 2.175 178.545 176.300 0.117 0.000 0.980 293 D CA 1.120 55.155 54.000 0.057 0.000 0.907 293 D CB -0.254 40.556 40.800 0.018 0.000 0.899 293 D HN 0.444 nan 8.370 nan 0.000 0.527 294 S N -1.615 114.191 115.700 0.176 0.000 2.539 294 S HA 0.224 4.709 4.470 0.025 0.000 0.226 294 S C 1.681 176.496 174.600 0.358 0.000 1.054 294 S CA -0.110 58.255 58.200 0.276 0.000 0.910 294 S CB 0.119 63.449 63.200 0.216 0.000 0.818 294 S HN 0.458 nan 8.310 nan 0.000 0.490 295 L N 0.924 122.330 121.223 0.305 0.000 2.477 295 L HA 0.230 4.585 4.340 0.025 0.000 0.220 295 L C 2.319 179.365 176.870 0.294 0.000 1.106 295 L CA 0.228 55.233 54.840 0.275 0.000 0.851 295 L CB -0.196 42.061 42.059 0.330 0.000 0.994 295 L HN 0.199 nan 8.230 nan 0.000 0.462 296 S N 0.541 116.411 115.700 0.283 0.000 2.369 296 S HA -0.335 4.150 4.470 0.025 0.000 0.225 296 S C 2.325 177.043 174.600 0.197 0.000 1.043 296 S CA 2.139 60.460 58.200 0.201 0.000 1.074 296 S CB -0.499 62.774 63.200 0.122 0.000 0.962 296 S HN 0.626 nan 8.310 nan 0.000 0.433 297 E N 1.284 121.645 120.200 0.269 0.000 2.055 297 E HA -0.256 4.109 4.350 0.025 0.000 0.209 297 E C 1.835 178.633 176.600 0.329 0.000 1.036 297 E CA 1.996 58.617 56.400 0.368 0.000 0.849 297 E CB -1.404 28.643 29.700 0.579 0.000 0.767 297 E HN 0.647 nan 8.360 nan 0.000 0.461 298 I N 0.772 121.508 120.570 0.276 0.000 2.185 298 I HA -0.280 3.905 4.170 0.025 0.000 0.246 298 I C 2.865 178.883 176.117 -0.165 0.000 1.088 298 I CA 2.070 63.298 61.300 -0.120 0.000 1.347 298 I CB -0.670 37.090 38.000 -0.401 0.000 1.041 298 I HN 0.315 nan 8.210 nan 0.000 0.415 299 T N 0.452 114.965 114.554 -0.069 0.000 2.708 299 T HA -0.173 4.191 4.350 0.025 0.000 0.266 299 T C 2.180 176.921 174.700 0.069 0.000 1.037 299 T CA 1.812 63.866 62.100 -0.077 0.000 1.146 299 T CB -0.090 68.803 68.868 0.041 0.000 0.865 299 T HN 0.270 nan 8.240 nan 0.000 0.435 300 K N 1.132 121.588 120.400 0.092 0.000 2.063 300 K HA -0.089 4.246 4.320 0.025 0.000 0.208 300 K C 2.752 179.472 176.600 0.201 0.000 1.048 300 K CA 1.627 57.981 56.287 0.112 0.000 0.928 300 K CB -1.448 31.101 32.500 0.083 0.000 0.713 300 K HN 0.602 nan 8.250 nan 0.000 0.442 301 T N 1.208 115.870 114.554 0.180 0.000 2.867 301 T HA -0.068 4.297 4.350 0.025 0.000 0.268 301 T C 1.591 176.386 174.700 0.159 0.000 1.057 301 T CA 1.107 63.319 62.100 0.187 0.000 1.136 301 T CB -0.143 68.848 68.868 0.205 0.000 0.874 301 T HN 0.351 nan 8.240 nan 0.000 0.466 302 E N 0.016 120.281 120.200 0.108 0.000 2.385 302 E HA -0.005 4.360 4.350 0.025 0.000 0.194 302 E C 1.602 178.274 176.600 0.121 0.000 1.013 302 E CA 0.047 56.486 56.400 0.065 0.000 0.866 302 E CB -0.117 29.543 29.700 -0.067 0.000 0.832 302 E HN 0.658 nan 8.360 nan 0.000 0.500 303 W N 3.155 124.470 121.300 0.025 0.000 2.961 303 W HA -0.036 4.639 4.660 0.026 0.000 0.240 303 W C 0.443 176.994 176.519 0.053 0.000 1.305 303 W CA 1.207 58.589 57.345 0.062 0.000 1.465 303 W CB -0.085 29.410 29.460 0.059 0.000 1.135 303 W HN -0.220 nan 8.180 nan 0.000 0.688 304 K N 1.326 121.800 120.400 0.123 0.000 2.230 304 K HA 0.057 4.392 4.320 0.025 0.000 0.253 304 K C 0.830 177.397 176.600 -0.056 0.000 1.008 304 K CA 0.044 56.365 56.287 0.056 0.000 0.910 304 K CB 0.066 32.617 32.500 0.086 0.000 0.994 304 K HN 0.017 nan 8.250 nan 0.000 0.495 305 R N 0.374 120.839 120.500 -0.058 0.000 2.276 305 R HA 0.086 4.441 4.340 0.025 0.000 0.196 305 R C 0.941 177.212 176.300 -0.049 0.000 0.961 305 R CA 1.173 57.223 56.100 -0.083 0.000 1.024 305 R CB -0.529 29.723 30.300 -0.079 0.000 0.940 305 R HN 0.881 nan 8.270 nan 0.000 0.480 306 E N 1.324 121.511 120.200 -0.022 0.000 1.964 306 E HA 0.091 4.456 4.350 0.025 0.000 0.264 306 E C -0.572 176.021 176.600 -0.012 0.000 1.120 306 E CA -0.395 55.996 56.400 -0.015 0.000 1.061 306 E CB -1.252 28.446 29.700 -0.004 0.000 1.190 306 E HN 0.443 nan 8.360 nan 0.000 0.459 307 N N 0.712 119.397 118.700 -0.025 0.000 2.365 307 N HA 0.111 4.866 4.740 0.025 0.000 0.265 307 N C 0.606 176.109 175.510 -0.013 0.000 1.288 307 N CA 1.078 54.115 53.050 -0.022 0.000 0.869 307 N CB 0.478 38.943 38.487 -0.037 0.000 1.071 307 N HN 0.575 nan 8.380 nan 0.000 0.480 308 D N 2.990 123.391 120.400 0.002 0.000 2.461 308 D HA 0.084 4.738 4.640 0.025 0.000 0.266 308 D C -0.343 175.964 176.300 0.012 0.000 1.085 308 D CA 0.079 54.082 54.000 0.006 0.000 0.887 308 D CB 0.283 41.091 40.800 0.013 0.000 1.309 308 D HN 0.574 nan 8.370 nan 0.000 0.498 309 N N -0.038 118.671 118.700 0.015 0.000 2.542 309 N HA 0.289 5.044 4.740 0.025 0.000 0.288 309 N C -0.540 174.949 175.510 -0.035 0.000 1.115 309 N CA -0.207 52.842 53.050 -0.002 0.000 0.924 309 N CB 2.191 40.690 38.487 0.019 0.000 1.526 309 N HN 0.154 nan 8.380 nan 0.000 0.515 310 E N 0.766 120.945 120.200 -0.035 0.000 2.460 310 E HA 0.085 4.450 4.350 0.025 0.000 0.200 310 E C 0.732 177.309 176.600 -0.040 0.000 1.011 310 E CA 0.541 56.916 56.400 -0.042 0.000 0.912 310 E CB 0.350 30.025 29.700 -0.042 0.000 0.953 310 E HN 0.460 nan 8.360 nan 0.000 0.494 311 D N -0.298 120.089 120.400 -0.022 0.000 2.103 311 D HA -0.109 4.546 4.640 0.025 0.000 0.199 311 D C 1.808 178.140 176.300 0.054 0.000 0.978 311 D CA 1.423 55.441 54.000 0.030 0.000 0.829 311 D CB 0.236 41.060 40.800 0.040 0.000 0.981 311 D HN 0.161 nan 8.370 nan 0.000 0.464 312 I N 2.136 122.674 120.570 -0.052 0.000 2.179 312 I HA -0.232 3.953 4.170 0.025 0.000 0.242 312 I C 2.739 178.728 176.117 -0.212 0.000 1.088 312 I CA 0.811 62.025 61.300 -0.145 0.000 1.357 312 I CB -1.577 36.239 38.000 -0.306 0.000 1.051 312 I HN 0.263 nan 8.210 nan 0.000 0.409 313 I N -0.164 120.244 120.570 -0.270 0.000 2.454 313 I HA -0.131 4.054 4.170 0.025 0.000 0.254 313 I C 2.415 178.354 176.117 -0.297 0.000 1.156 313 I CA 1.324 62.375 61.300 -0.415 0.000 1.433 313 I CB -1.081 36.701 38.000 -0.364 0.000 1.082 313 I HN 0.167 nan 8.210 nan 0.000 0.432 314 V N 1.358 121.199 119.914 -0.121 0.000 2.358 314 V HA -0.218 3.917 4.120 0.025 0.000 0.246 314 V C 2.643 178.641 176.094 -0.159 0.000 1.047 314 V CA 1.876 64.127 62.300 -0.081 0.000 1.035 314 V CB -1.095 30.647 31.823 -0.135 0.000 0.658 314 V HN 0.495 nan 8.190 nan 0.000 0.452 315 H N -0.629 118.369 119.070 -0.120 0.000 2.428 315 H HA 0.051 4.622 4.556 0.025 0.000 0.296 315 H C 2.360 177.548 175.328 -0.234 0.000 1.062 315 H CA 1.650 57.617 56.048 -0.135 0.000 1.350 315 H CB 0.168 29.858 29.762 -0.120 0.000 1.403 315 H HN 0.373 nan 8.280 nan 0.000 0.533 316 I N -0.082 120.348 120.570 -0.233 0.000 2.163 316 I HA -0.287 3.898 4.170 0.025 0.000 0.240 316 I C 2.143 177.885 176.117 -0.624 0.000 1.081 316 I CA 1.198 62.189 61.300 -0.515 0.000 1.353 316 I CB -0.552 37.116 38.000 -0.553 0.000 1.054 316 I HN 0.190 nan 8.210 nan 0.000 0.407 317 Y N 0.201 120.311 120.300 -0.316 0.000 2.224 317 Y HA -0.315 4.250 4.550 0.025 0.000 0.289 317 Y C 2.786 178.592 175.900 -0.156 0.000 1.146 317 Y CA 0.913 58.922 58.100 -0.152 0.000 1.182 317 Y CB -0.087 38.361 38.460 -0.021 0.000 0.983 317 Y HN 0.197 nan 8.280 nan 0.000 0.524 318 M N -0.302 119.291 119.600 -0.011 0.000 2.099 318 M HA -0.213 4.282 4.480 0.025 0.000 0.262 318 M C 2.194 178.450 176.300 -0.072 0.000 1.067 318 M CA 1.479 56.756 55.300 -0.039 0.000 1.124 318 M CB -0.187 32.366 32.600 -0.079 0.000 1.353 318 M HN 0.364 nan 8.290 nan 0.000 0.410 319 L N 0.676 121.798 121.223 -0.168 0.000 2.012 319 L HA -0.178 4.177 4.340 0.025 0.000 0.210 319 L C 1.790 178.570 176.870 -0.150 0.000 1.073 319 L CA 2.036 56.751 54.840 -0.207 0.000 0.748 319 L CB -1.090 40.787 42.059 -0.305 0.000 0.891 319 L HN 0.266 nan 8.230 nan 0.000 0.431 320 F N -0.712 119.176 119.950 -0.104 0.000 2.031 320 F HA -0.145 4.397 4.527 0.024 0.000 0.295 320 F C 2.598 178.303 175.800 -0.158 0.000 1.133 320 F CA 1.432 59.348 58.000 -0.141 0.000 1.188 320 F CB -1.651 37.290 39.000 -0.098 0.000 0.974 320 F HN -0.129 nan 8.300 nan 0.000 0.473 321 V N 0.626 120.565 119.914 0.042 0.000 2.278 321 V HA -0.361 3.774 4.120 0.025 0.000 0.251 321 V C 2.520 178.657 176.094 0.071 0.000 1.062 321 V CA 2.362 64.640 62.300 -0.036 0.000 1.038 321 V CB -1.354 30.462 31.823 -0.012 0.000 0.646 321 V HN 0.522 nan 8.190 nan 0.000 0.447 322 S N 1.115 116.837 115.700 0.036 0.000 2.345 322 S HA -0.200 4.285 4.470 0.025 0.000 0.220 322 S C 2.089 176.711 174.600 0.037 0.000 1.031 322 S CA 1.501 59.720 58.200 0.032 0.000 0.996 322 S CB -0.923 62.278 63.200 0.001 0.000 0.882 322 S HN 0.739 nan 8.310 nan 0.000 0.445 323 S N 2.059 117.763 115.700 0.007 0.000 2.465 323 S HA -0.007 4.478 4.470 0.025 0.000 0.241 323 S C 2.011 176.700 174.600 0.148 0.000 1.000 323 S CA 1.078 59.305 58.200 0.045 0.000 0.964 323 S CB -1.290 61.852 63.200 -0.098 0.000 0.763 323 S HN 0.859 nan 8.310 nan 0.000 0.512 324 V N 1.342 121.328 119.914 0.120 0.000 2.535 324 V HA 0.143 4.278 4.120 0.025 0.000 0.246 324 V C 2.744 178.927 176.094 0.149 0.000 1.045 324 V CA 2.012 64.412 62.300 0.167 0.000 1.058 324 V CB -1.780 30.180 31.823 0.228 0.000 0.689 324 V HN 0.593 nan 8.190 nan 0.000 0.461 325 E N 0.789 121.059 120.200 0.117 0.000 2.038 325 E HA -0.285 4.080 4.350 0.025 0.000 0.195 325 E C 2.448 179.048 176.600 0.000 0.000 1.000 325 E CA 2.954 59.387 56.400 0.055 0.000 0.803 325 E CB -1.065 28.666 29.700 0.052 0.000 0.750 325 E HN 0.893 nan 8.360 nan 0.000 0.448 326 R N 0.538 121.012 120.500 -0.043 0.000 2.193 326 R HA -0.054 4.301 4.340 0.025 0.000 0.229 326 R C 1.285 177.343 176.300 -0.404 0.000 1.110 326 R CA 1.520 57.492 56.100 -0.215 0.000 0.988 326 R CB -0.714 29.424 30.300 -0.271 0.000 0.871 326 R HN 0.766 nan 8.270 nan 0.000 0.458 327 H N -1.126 117.976 119.070 0.052 0.000 2.355 327 H HA 0.432 4.998 4.556 0.017 0.000 0.232 327 H C 1.307 176.669 175.328 0.056 0.000 1.422 327 H CA 0.158 56.242 56.048 0.060 0.000 1.261 327 H CB 0.638 30.446 29.762 0.077 0.000 1.595 327 H HN 0.514 nan 8.280 nan 0.000 0.529 328 S N 1.009 116.764 115.700 0.092 0.000 2.356 328 S HA -0.158 4.327 4.470 0.025 0.000 0.223 328 S C 2.182 176.827 174.600 0.076 0.000 1.032 328 S CA 1.969 60.209 58.200 0.065 0.000 1.005 328 S CB -0.160 63.051 63.200 0.017 0.000 0.867 328 S HN 0.328 nan 8.310 nan 0.000 0.449 329 T N 1.828 116.428 114.554 0.078 0.000 2.720 329 T HA -0.038 4.326 4.350 0.025 0.000 0.268 329 T C 1.799 176.549 174.700 0.085 0.000 1.037 329 T CA 1.429 63.572 62.100 0.071 0.000 1.144 329 T CB -0.366 68.541 68.868 0.064 0.000 0.864 329 T HN 0.298 nan 8.240 nan 0.000 0.444 330 L N 0.910 122.205 121.223 0.120 0.000 1.994 330 L HA -0.044 4.311 4.340 0.025 0.000 0.208 330 L C 3.066 180.000 176.870 0.106 0.000 1.071 330 L CA 1.843 56.751 54.840 0.114 0.000 0.745 330 L CB -1.278 40.864 42.059 0.140 0.000 0.892 330 L HN 0.299 nan 8.230 nan 0.000 0.431 331 L N -1.484 119.811 121.223 0.120 0.000 1.989 331 L HA -0.184 4.171 4.340 0.025 0.000 0.211 331 L C 2.512 179.436 176.870 0.090 0.000 1.071 331 L CA 2.549 57.455 54.840 0.111 0.000 0.749 331 L CB -1.612 40.521 42.059 0.123 0.000 0.890 331 L HN 0.304 nan 8.230 nan 0.000 0.431 332 L N 0.150 121.418 121.223 0.074 0.000 2.027 332 L HA -0.134 4.221 4.340 0.025 0.000 0.206 332 L C 3.346 180.250 176.870 0.056 0.000 1.074 332 L CA 1.409 56.285 54.840 0.061 0.000 0.745 332 L CB -0.918 41.168 42.059 0.045 0.000 0.898 332 L HN 0.612 nan 8.230 nan 0.000 0.433 333 S N 0.522 116.253 115.700 0.051 0.000 2.419 333 S HA -0.103 4.382 4.470 0.025 0.000 0.233 333 S C 2.077 176.697 174.600 0.035 0.000 1.016 333 S CA 1.455 59.679 58.200 0.039 0.000 0.974 333 S CB -0.903 62.317 63.200 0.033 0.000 0.786 333 S HN 0.457 nan 8.310 nan 0.000 0.492 334 G N 0.690 109.518 108.800 0.045 0.000 2.422 334 G HA2 0.018 3.993 3.960 0.025 0.000 0.218 334 G HA3 0.018 3.993 3.960 0.025 0.000 0.218 334 G C 1.543 176.470 174.900 0.046 0.000 1.140 334 G CA 1.131 46.256 45.100 0.041 0.000 0.775 334 G HN 0.452 nan 8.290 nan 0.000 0.545 335 I N 1.002 121.607 120.570 0.058 0.000 2.202 335 I HA 0.055 4.240 4.170 0.025 0.000 0.242 335 I C 3.285 179.429 176.117 0.045 0.000 1.091 335 I CA 2.316 63.653 61.300 0.061 0.000 1.368 335 I CB -1.432 36.611 38.000 0.073 0.000 1.058 335 I HN 0.542 nan 8.210 nan 0.000 0.410 336 T N -2.221 112.357 114.554 0.040 0.000 2.990 336 T HA -0.064 4.301 4.350 0.025 0.000 0.237 336 T C 2.069 176.781 174.700 0.020 0.000 1.009 336 T CA 1.155 63.273 62.100 0.031 0.000 1.195 336 T CB -0.829 68.060 68.868 0.036 0.000 0.885 336 T HN 0.266 nan 8.240 nan 0.000 0.424 337 S N 0.526 116.237 115.700 0.018 0.000 2.440 337 S HA 0.184 4.669 4.470 0.025 0.000 0.240 337 S C 1.519 176.119 174.600 0.001 0.000 1.014 337 S CA 1.430 59.635 58.200 0.008 0.000 0.980 337 S CB -0.986 62.217 63.200 0.006 0.000 0.775 337 S HN 1.612 nan 8.310 nan 0.000 0.499 338 A N 1.508 124.331 122.820 0.005 0.000 2.511 338 A HA -0.204 4.131 4.320 0.025 0.000 0.297 338 A C 0.167 177.740 177.584 -0.018 0.000 1.476 338 A CA 0.880 52.917 52.037 0.000 0.000 0.757 338 A CB -2.168 16.833 19.000 0.002 0.000 1.072 338 A HN 0.624 nan 8.150 nan 0.000 0.413 339 D N 0.353 120.733 120.400 -0.034 0.000 2.472 339 D HA 0.124 4.779 4.640 0.025 0.000 0.248 339 D C -0.250 176.011 176.300 -0.065 0.000 1.174 339 D CA -0.863 53.099 54.000 -0.064 0.000 0.883 339 D CB 0.788 41.524 40.800 -0.107 0.000 1.149 339 D HN 0.295 nan 8.370 nan 0.000 0.488 340 P HA -0.215 nan 4.420 nan 0.000 0.217 340 P C 1.084 178.360 177.300 -0.040 0.000 1.158 340 P CA 1.072 64.149 63.100 -0.037 0.000 0.887 340 P CB 0.142 31.823 31.700 -0.031 0.000 0.792 341 E N -0.458 119.676 120.200 -0.109 0.000 2.219 341 E HA -0.145 4.220 4.350 0.025 0.000 0.198 341 E C 2.276 178.827 176.600 -0.082 0.000 0.998 341 E CA 0.855 57.160 56.400 -0.158 0.000 0.818 341 E CB -1.088 28.298 29.700 -0.523 0.000 0.741 341 E HN 0.371 nan 8.360 nan 0.000 0.477 342 L N -0.295 120.868 121.223 -0.099 0.000 2.202 342 L HA 0.014 4.369 4.340 0.025 0.000 0.205 342 L C 2.575 179.496 176.870 0.086 0.000 1.083 342 L CA 0.780 55.638 54.840 0.029 0.000 0.790 342 L CB -0.163 41.886 42.059 -0.016 0.000 0.942 342 L HN 0.221 nan 8.230 nan 0.000 0.452 343 S N -0.075 115.655 115.700 0.051 0.000 2.383 343 S HA -0.166 4.319 4.470 0.025 0.000 0.229 343 S C 2.091 176.748 174.600 0.094 0.000 1.030 343 S CA 1.491 59.729 58.200 0.063 0.000 1.002 343 S CB -0.180 63.037 63.200 0.029 0.000 0.829 343 S HN 0.212 nan 8.310 nan 0.000 0.467 344 I N 0.873 121.498 120.570 0.091 0.000 2.162 344 I HA -0.009 4.175 4.170 0.025 0.000 0.238 344 I C 2.249 178.452 176.117 0.144 0.000 1.076 344 I CA 0.643 62.007 61.300 0.105 0.000 1.353 344 I CB -1.504 36.548 38.000 0.088 0.000 1.063 344 I HN 0.349 nan 8.210 nan 0.000 0.408 345 L N 0.760 122.091 121.223 0.179 0.000 1.978 345 L HA -0.197 4.158 4.340 0.025 0.000 0.218 345 L C 2.559 179.485 176.870 0.094 0.000 1.075 345 L CA 2.117 57.054 54.840 0.161 0.000 0.767 345 L CB -0.664 41.604 42.059 0.348 0.000 0.890 345 L HN 0.144 nan 8.230 nan 0.000 0.434 346 V N -0.649 119.339 119.914 0.123 0.000 2.252 346 V HA -0.402 3.733 4.120 0.025 0.000 0.249 346 V C 2.536 178.673 176.094 0.071 0.000 1.056 346 V CA 2.301 64.656 62.300 0.091 0.000 1.022 346 V CB -0.903 30.988 31.823 0.113 0.000 0.641 346 V HN 0.766 nan 8.190 nan 0.000 0.445 347 H N 0.504 119.590 119.070 0.027 0.000 2.387 347 H HA -0.154 4.415 4.556 0.022 0.000 0.299 347 H C 2.256 177.574 175.328 -0.017 0.000 1.090 347 H CA 2.642 58.700 56.048 0.016 0.000 1.332 347 H CB -0.061 29.711 29.762 0.017 0.000 1.386 347 H HN 0.324 nan 8.280 nan 0.000 0.516 348 R N 0.387 120.907 120.500 0.034 0.000 2.092 348 R HA 0.016 4.371 4.340 0.025 0.000 0.231 348 R C 2.720 178.902 176.300 -0.195 0.000 1.119 348 R CA 1.718 57.784 56.100 -0.056 0.000 0.970 348 R CB -1.819 28.471 30.300 -0.016 0.000 0.864 348 R HN 0.515 nan 8.270 nan 0.000 0.440 349 I N -0.267 120.181 120.570 -0.204 0.000 2.315 349 I HA -0.005 4.180 4.170 0.025 0.000 0.248 349 I C 2.631 178.541 176.117 -0.344 0.000 1.117 349 I CA 1.974 63.086 61.300 -0.313 0.000 1.404 349 I CB -0.993 36.874 38.000 -0.221 0.000 1.071 349 I HN 0.275 nan 8.210 nan 0.000 0.419 350 V N 1.288 121.036 119.914 -0.277 0.000 2.548 350 V HA -0.264 3.871 4.120 0.025 0.000 0.249 350 V C 3.076 179.028 176.094 -0.237 0.000 1.055 350 V CA 2.177 64.308 62.300 -0.281 0.000 1.065 350 V CB -0.733 31.038 31.823 -0.087 0.000 0.681 350 V HN 0.932 nan 8.190 nan 0.000 0.462 351 Q N -0.931 118.697 119.800 -0.287 0.000 2.084 351 Q HA -0.207 4.148 4.340 0.025 0.000 0.202 351 Q C 2.004 177.965 176.000 -0.065 0.000 0.978 351 Q CA 1.598 57.264 55.803 -0.228 0.000 0.844 351 Q CB -0.844 27.760 28.738 -0.224 0.000 0.898 351 Q HN 0.741 nan 8.270 nan 0.000 0.426 352 E N 0.783 120.936 120.200 -0.078 0.000 2.051 352 E HA -0.034 4.331 4.350 0.025 0.000 0.192 352 E C 2.168 178.729 176.600 -0.065 0.000 0.991 352 E CA 1.583 58.005 56.400 0.037 0.000 0.799 352 E CB -0.349 29.335 29.700 -0.027 0.000 0.748 352 E HN 0.642 nan 8.360 nan 0.000 0.449 353 I N 0.708 121.144 120.570 -0.225 0.000 2.315 353 I HA -0.238 3.947 4.170 0.025 0.000 0.248 353 I C 2.927 178.969 176.117 -0.125 0.000 1.117 353 I CA 0.824 61.915 61.300 -0.348 0.000 1.404 353 I CB -0.619 36.904 38.000 -0.795 0.000 1.071 353 I HN 0.061 nan 8.210 nan 0.000 0.419 354 L N -0.102 121.126 121.223 0.009 0.000 2.017 354 L HA -0.234 4.121 4.340 0.025 0.000 0.208 354 L C 2.736 179.655 176.870 0.081 0.000 1.073 354 L CA 2.136 57.096 54.840 0.200 0.000 0.745 354 L CB -1.921 40.228 42.059 0.150 0.000 0.894 354 L HN 0.255 nan 8.230 nan 0.000 0.432 355 H N -1.046 118.004 119.070 -0.033 0.000 2.319 355 H HA -0.219 4.352 4.556 0.025 0.000 0.299 355 H C 2.663 178.022 175.328 0.051 0.000 1.092 355 H CA 2.040 58.032 56.048 -0.094 0.000 1.302 355 H CB -0.596 29.013 29.762 -0.254 0.000 1.373 355 H HN 0.730 nan 8.280 nan 0.000 0.497 356 C N 0.977 120.186 119.300 -0.153 0.000 2.385 356 C HA -0.193 4.282 4.460 0.025 0.000 0.275 356 C C 2.879 177.858 174.990 -0.018 0.000 1.207 356 C CA 2.064 60.768 59.018 -0.522 0.000 1.760 356 C CB -1.124 25.978 27.740 -1.065 0.000 2.051 356 C HN 0.610 nan 8.230 nan 0.000 0.467 357 T N -0.372 114.233 114.554 0.085 0.000 2.746 357 T HA -0.159 4.206 4.350 0.025 0.000 0.267 357 T C 1.506 176.330 174.700 0.206 0.000 1.039 357 T CA 1.836 64.052 62.100 0.194 0.000 1.142 357 T CB -0.458 68.591 68.868 0.301 0.000 0.866 357 T HN 0.612 nan 8.240 nan 0.000 0.444 358 D N 0.925 121.476 120.400 0.251 0.000 2.347 358 D HA 0.027 4.682 4.640 0.025 0.000 0.213 358 D C 0.804 177.360 176.300 0.426 0.000 0.985 358 D CA 0.126 54.309 54.000 0.304 0.000 0.879 358 D CB -0.226 40.768 40.800 0.323 0.000 0.919 358 D HN 0.304 nan 8.370 nan 0.000 0.526 359 K N 1.140 121.841 120.400 0.501 0.000 2.578 359 K HA -0.069 4.266 4.320 0.025 0.000 0.279 359 K C -2.230 174.342 176.600 -0.046 0.000 0.983 359 K CA -0.801 55.634 56.287 0.246 0.000 1.078 359 K CB 0.494 33.167 32.500 0.289 0.000 0.852 359 K HN -0.018 nan 8.250 nan 0.000 0.490 360 P HA 0.012 nan 4.420 nan 0.000 0.273 360 P C -0.481 176.764 177.300 -0.092 0.000 1.258 360 P CA 0.217 63.191 63.100 -0.210 0.000 0.802 360 P CB 0.340 31.829 31.700 -0.351 0.000 1.040 361 G N -0.662 108.105 108.800 -0.056 0.000 2.825 361 G HA2 -0.164 3.811 3.960 0.025 0.000 0.684 361 G HA3 -0.164 3.811 3.960 0.025 0.000 0.684 361 G C -0.508 174.407 174.900 0.024 0.000 1.528 361 G CA -0.941 44.142 45.100 -0.029 0.000 0.963 361 G HN 0.454 nan 8.290 nan 0.000 0.577 362 I N 2.000 122.579 120.570 0.015 0.000 2.754 362 I HA 0.053 4.238 4.170 0.025 0.000 0.285 362 I C 1.870 178.006 176.117 0.031 0.000 1.166 362 I CA 0.053 61.393 61.300 0.068 0.000 1.417 362 I CB 0.134 38.121 38.000 -0.021 0.000 1.382 362 I HN 0.747 nan 8.210 nan 0.000 0.588 363 Y N 8.734 128.965 120.300 -0.116 0.000 2.069 363 Y HA -0.197 4.368 4.550 0.025 0.000 0.278 363 Y C -0.855 174.913 175.900 -0.218 0.000 1.175 363 Y CA 1.931 59.801 58.100 -0.384 0.000 1.134 363 Y CB -1.794 35.842 38.460 -1.373 0.000 0.965 363 Y HN 0.461 nan 8.280 nan 0.000 0.498 364 P HA -0.157 nan 4.420 nan 0.000 0.217 364 P C 1.550 178.667 177.300 -0.305 0.000 1.150 364 P CA 2.238 65.041 63.100 -0.495 0.000 0.832 364 P CB 0.094 31.722 31.700 -0.119 0.000 0.787 365 V N -1.589 118.209 119.914 -0.193 0.000 2.806 365 V HA 0.026 4.161 4.120 0.025 0.000 0.239 365 V C 2.651 178.673 176.094 -0.119 0.000 1.113 365 V CA 1.899 64.117 62.300 -0.136 0.000 1.137 365 V CB -1.227 30.539 31.823 -0.095 0.000 0.865 365 V HN 0.016 nan 8.190 nan 0.000 0.482 366 E N -0.008 120.130 120.200 -0.104 0.000 2.140 366 E HA 0.022 4.387 4.350 0.025 0.000 0.191 366 E C 0.766 177.317 176.600 -0.081 0.000 0.973 366 E CA 0.799 57.148 56.400 -0.085 0.000 0.829 366 E CB 0.135 29.792 29.700 -0.072 0.000 0.781 366 E HN 0.553 nan 8.360 nan 0.000 0.466 367 E N -0.446 119.707 120.200 -0.078 0.000 2.361 367 E HA 0.180 4.545 4.350 0.025 0.000 0.270 367 E C -0.428 176.149 176.600 -0.039 0.000 0.911 367 E CA -0.003 56.378 56.400 -0.032 0.000 0.818 367 E CB 1.082 30.793 29.700 0.017 0.000 1.332 367 E HN 0.212 nan 8.360 nan 0.000 0.402 368 S N 0.731 116.390 115.700 -0.068 0.000 2.727 368 S HA -0.048 4.437 4.470 0.025 0.000 0.226 368 S C 0.923 175.582 174.600 0.099 0.000 0.963 368 S CA 0.162 58.308 58.200 -0.090 0.000 0.950 368 S CB -0.461 62.669 63.200 -0.117 0.000 0.779 368 S HN 0.545 nan 8.310 nan 0.000 0.532 369 C N 0.334 119.731 119.300 0.161 0.000 2.791 369 C HA 0.481 4.956 4.460 0.025 0.000 0.270 369 C C 3.051 178.165 174.990 0.206 0.000 1.257 369 C CA 0.020 59.164 59.018 0.210 0.000 1.699 369 C CB -1.402 26.530 27.740 0.320 0.000 1.904 369 C HN 0.742 nan 8.230 nan 0.000 0.603 370 S N 2.114 117.973 115.700 0.266 0.000 2.370 370 S HA -0.192 4.293 4.470 0.025 0.000 0.226 370 S C 1.902 176.635 174.600 0.221 0.000 1.033 370 S CA 2.550 60.914 58.200 0.274 0.000 1.011 370 S CB -0.754 62.672 63.200 0.377 0.000 0.852 370 S HN 0.560 nan 8.310 nan 0.000 0.457 371 T N 1.255 115.917 114.554 0.181 0.000 2.746 371 T HA -0.097 4.267 4.350 0.025 0.000 0.267 371 T C 1.945 176.700 174.700 0.092 0.000 1.039 371 T CA 1.706 63.864 62.100 0.096 0.000 1.142 371 T CB -0.294 68.625 68.868 0.084 0.000 0.866 371 T HN 0.444 nan 8.240 nan 0.000 0.444 372 M N 1.477 121.138 119.600 0.102 0.000 2.088 372 M HA -0.140 4.355 4.480 0.025 0.000 0.256 372 M C 2.447 178.793 176.300 0.076 0.000 1.071 372 M CA 1.974 57.319 55.300 0.075 0.000 1.097 372 M CB -0.654 31.992 32.600 0.077 0.000 1.315 372 M HN 0.296 nan 8.290 nan 0.000 0.406 373 A N -0.690 122.182 122.820 0.086 0.000 1.930 373 A HA -0.105 4.230 4.320 0.025 0.000 0.217 373 A C 2.106 179.830 177.584 0.234 0.000 1.175 373 A CA 1.506 53.610 52.037 0.112 0.000 0.627 373 A CB -1.026 18.081 19.000 0.178 0.000 0.815 373 A HN 0.555 nan 8.150 nan 0.000 0.443 374 L N -0.941 120.414 121.223 0.220 0.000 2.093 374 L HA -0.139 4.216 4.340 0.025 0.000 0.208 374 L C 3.067 180.020 176.870 0.140 0.000 1.085 374 L CA 0.868 55.835 54.840 0.211 0.000 0.755 374 L CB -0.642 41.450 42.059 0.055 0.000 0.904 374 L HN 0.427 nan 8.230 nan 0.000 0.435 375 A N 0.385 123.257 122.820 0.087 0.000 1.877 375 A HA -0.278 4.056 4.320 0.025 0.000 0.216 375 A C 2.186 179.827 177.584 0.095 0.000 1.186 375 A CA 1.683 53.756 52.037 0.060 0.000 0.620 375 A CB -0.841 18.187 19.000 0.046 0.000 0.822 375 A HN 0.402 nan 8.150 nan 0.000 0.443 376 F N -0.648 119.249 119.950 -0.089 0.000 2.069 376 F HA -0.202 4.340 4.527 0.024 0.000 0.298 376 F C 2.019 177.674 175.800 -0.242 0.000 1.113 376 F CA 1.816 59.677 58.000 -0.231 0.000 1.214 376 F CB -0.699 38.032 39.000 -0.448 0.000 0.978 376 F HN 0.392 nan 8.300 nan 0.000 0.474 377 W N -0.911 120.275 121.300 -0.190 0.000 2.338 377 W HA -0.247 4.426 4.660 0.022 0.000 0.304 377 W C 2.518 178.880 176.519 -0.263 0.000 1.212 377 W CA 1.584 58.751 57.345 -0.297 0.000 1.264 377 W CB -1.244 28.181 29.460 -0.058 0.000 1.142 377 W HN 0.250 nan 8.180 nan 0.000 0.512 378 Y N 1.968 122.236 120.300 -0.053 0.000 2.069 378 Y HA -0.458 4.112 4.550 0.033 0.000 0.278 378 Y C 2.594 178.424 175.900 -0.117 0.000 1.175 378 Y CA 2.740 60.765 58.100 -0.124 0.000 1.134 378 Y CB -0.961 37.371 38.460 -0.213 0.000 0.965 378 Y HN 0.112 nan 8.280 nan 0.000 0.498 379 M N -0.750 118.671 119.600 -0.299 0.000 2.080 379 M HA -0.159 4.336 4.480 0.025 0.000 0.260 379 M C 1.980 178.031 176.300 -0.414 0.000 1.068 379 M CA 2.398 57.475 55.300 -0.371 0.000 1.109 379 M CB -0.858 31.617 32.600 -0.209 0.000 1.342 379 M HN 0.333 nan 8.290 nan 0.000 0.405 380 L N 0.443 121.366 121.223 -0.499 0.000 2.027 380 L HA -0.112 4.243 4.340 0.025 0.000 0.206 380 L C 2.481 179.162 176.870 -0.315 0.000 1.074 380 L CA 1.943 56.546 54.840 -0.396 0.000 0.745 380 L CB -0.875 40.888 42.059 -0.493 0.000 0.898 380 L HN 0.404 nan 8.230 nan 0.000 0.433 381 Q N -0.197 119.423 119.800 -0.301 0.000 2.096 381 Q HA -0.225 4.130 4.340 0.025 0.000 0.204 381 Q C 1.964 177.621 176.000 -0.571 0.000 0.982 381 Q CA 2.022 57.570 55.803 -0.426 0.000 0.850 381 Q CB -0.469 28.168 28.738 -0.169 0.000 0.901 381 Q HN 0.765 nan 8.270 nan 0.000 0.422 382 D N -0.329 119.832 120.400 -0.398 0.000 2.234 382 D HA -0.172 4.483 4.640 0.025 0.000 0.205 382 D C 1.247 177.426 176.300 -0.202 0.000 0.962 382 D CA 0.865 54.698 54.000 -0.278 0.000 0.855 382 D CB -0.007 40.550 40.800 -0.404 0.000 0.951 382 D HN 0.310 nan 8.370 nan 0.000 0.500 383 E N 0.081 120.140 120.200 -0.235 0.000 2.152 383 E HA -0.061 4.304 4.350 0.025 0.000 0.192 383 E C 2.226 178.769 176.600 -0.095 0.000 0.983 383 E CA 0.438 56.754 56.400 -0.140 0.000 0.818 383 E CB 0.412 30.028 29.700 -0.139 0.000 0.758 383 E HN 0.183 nan 8.360 nan 0.000 0.467 384 V N 0.278 120.098 119.914 -0.157 0.000 2.788 384 V HA -0.108 4.027 4.120 0.025 0.000 0.251 384 V C 1.640 177.762 176.094 0.046 0.000 1.068 384 V CA 1.080 63.333 62.300 -0.077 0.000 1.090 384 V CB -0.299 31.451 31.823 -0.122 0.000 0.710 384 V HN 0.261 nan 8.190 nan 0.000 0.467 385 F N -0.142 119.736 119.950 -0.120 0.000 2.615 385 F HA 0.296 4.835 4.527 0.019 0.000 0.297 385 F C 1.348 177.074 175.800 -0.123 0.000 1.124 385 F CA 0.030 57.926 58.000 -0.173 0.000 1.451 385 F CB 0.141 39.012 39.000 -0.214 0.000 1.103 385 F HN 0.209 nan 8.300 nan 0.000 0.569 395 K N -0.655 119.811 120.400 0.110 0.000 2.314 395 K HA 0.376 4.711 4.320 0.025 0.000 0.198 395 K C 2.565 179.231 176.600 0.110 0.000 1.045 395 K CA 2.010 58.347 56.287 0.083 0.000 0.988 395 K CB -1.554 30.974 32.500 0.046 0.000 0.783 395 K HN 1.608 nan 8.250 nan 0.000 0.484 396 C N -0.001 119.378 119.300 0.133 0.000 2.403 396 C HA -0.082 4.393 4.460 0.025 0.000 0.279 396 C C 2.466 177.582 174.990 0.211 0.000 1.269 396 C CA 1.503 60.603 59.018 0.136 0.000 1.774 396 C CB -1.220 26.585 27.740 0.107 0.000 1.993 396 C HN 0.855 nan 8.230 nan 0.000 0.496 397 W N 1.727 123.059 121.300 0.054 0.000 2.354 397 W HA -0.073 4.596 4.660 0.015 0.000 0.315 397 W C 2.297 178.853 176.519 0.061 0.000 1.206 397 W CA 1.940 59.337 57.345 0.086 0.000 1.290 397 W CB -0.832 28.725 29.460 0.161 0.000 1.152 397 W HN 0.545 nan 8.180 nan 0.000 0.489 398 E N -1.428 118.761 120.200 -0.019 0.000 2.150 398 E HA -0.247 4.118 4.350 0.025 0.000 0.193 398 E C 2.453 179.026 176.600 -0.045 0.000 0.985 398 E CA 1.818 58.100 56.400 -0.196 0.000 0.814 398 E CB -0.840 28.741 29.700 -0.198 0.000 0.752 398 E HN 0.484 nan 8.360 nan 0.000 0.466 399 Y N 0.689 121.010 120.300 0.034 0.000 2.439 399 Y HA 0.012 4.577 4.550 0.025 0.000 0.292 399 Y C 1.999 177.950 175.900 0.086 0.000 1.130 399 Y CA 0.960 59.094 58.100 0.056 0.000 1.254 399 Y CB -0.531 37.972 38.460 0.072 0.000 1.000 399 Y HN 0.001 nan 8.280 nan 0.000 0.554 400 I N -0.794 119.845 120.570 0.115 0.000 3.030 400 I HA -0.172 4.013 4.170 0.025 0.000 0.270 400 I C 2.212 178.390 176.117 0.102 0.000 1.211 400 I CA 0.624 62.004 61.300 0.133 0.000 1.479 400 I CB -0.252 37.829 38.000 0.134 0.000 1.105 400 I HN 0.340 nan 8.210 nan 0.000 0.447 401 K N 1.283 121.731 120.400 0.081 0.000 2.015 401 K HA -0.212 4.122 4.320 0.025 0.000 0.216 401 K C -0.439 176.171 176.600 0.016 0.000 1.052 401 K CA 1.962 58.273 56.287 0.039 0.000 0.937 401 K CB -1.510 30.960 32.500 -0.049 0.000 0.719 401 K HN 0.217 nan 8.250 nan 0.000 0.446 402 P HA -0.208 nan 4.420 nan 0.000 0.214 402 P C 1.357 178.673 177.300 0.027 0.000 1.169 402 P CA 1.376 64.487 63.100 0.017 0.000 0.908 402 P CB -0.037 31.675 31.700 0.021 0.000 0.791 403 L N -2.484 118.765 121.223 0.043 0.000 1.956 403 L HA -0.337 4.018 4.340 0.025 0.000 0.216 403 L C 3.146 179.908 176.870 -0.180 0.000 1.073 403 L CA 2.738 57.582 54.840 0.007 0.000 0.762 403 L CB -2.035 40.114 42.059 0.151 0.000 0.889 403 L HN 0.031 nan 8.230 nan 0.000 0.433 404 Y N -0.287 119.918 120.300 -0.159 0.000 2.102 404 Y HA -0.277 4.287 4.550 0.025 0.000 0.280 404 Y C 2.678 178.486 175.900 -0.152 0.000 1.178 404 Y CA 2.496 60.475 58.100 -0.200 0.000 1.146 404 Y CB -1.428 37.005 38.460 -0.045 0.000 0.968 404 Y HN 0.340 nan 8.280 nan 0.000 0.504 405 A N -0.762 122.021 122.820 -0.062 0.000 1.845 405 A HA -0.168 4.167 4.320 0.025 0.000 0.215 405 A C 2.025 179.592 177.584 -0.029 0.000 1.195 405 A CA 2.206 54.225 52.037 -0.030 0.000 0.616 405 A CB -1.485 17.515 19.000 -0.001 0.000 0.832 405 A HN 0.900 nan 8.150 nan 0.000 0.443 406 H N -0.131 118.875 119.070 -0.106 0.000 2.319 406 H HA -0.151 4.420 4.556 0.024 0.000 0.297 406 H C 2.254 177.494 175.328 -0.145 0.000 1.097 406 H CA 3.114 59.103 56.048 -0.098 0.000 1.285 406 H CB -0.687 29.023 29.762 -0.088 0.000 1.368 406 H HN 0.330 nan 8.280 nan 0.000 0.495 407 L N -0.118 120.887 121.223 -0.363 0.000 1.990 407 L HA -0.235 4.120 4.340 0.025 0.000 0.213 407 L C 2.960 179.612 176.870 -0.363 0.000 1.072 407 L CA 3.707 58.234 54.840 -0.521 0.000 0.755 407 L CB -2.449 39.075 42.059 -0.891 0.000 0.889 407 L HN 0.797 nan 8.230 nan 0.000 0.432 408 T N -2.253 112.161 114.554 -0.234 0.000 2.620 408 T HA -0.408 3.957 4.350 0.025 0.000 0.267 408 T C 2.081 176.783 174.700 0.003 0.000 1.044 408 T CA 2.160 64.230 62.100 -0.050 0.000 1.161 408 T CB -0.745 68.163 68.868 0.067 0.000 0.862 408 T HN 0.719 nan 8.240 nan 0.000 0.438 409 R N 0.897 121.363 120.500 -0.056 0.000 2.094 409 R HA 0.007 4.362 4.340 0.025 0.000 0.239 409 R C 2.725 178.991 176.300 -0.058 0.000 1.137 409 R CA 2.022 58.105 56.100 -0.029 0.000 0.943 409 R CB -0.814 29.449 30.300 -0.062 0.000 0.850 409 R HN 0.478 nan 8.270 nan 0.000 0.433 410 I N 1.268 121.722 120.570 -0.193 0.000 2.145 410 I HA -0.361 3.824 4.170 0.025 0.000 0.244 410 I C 2.423 178.500 176.117 -0.067 0.000 1.075 410 I CA 1.521 62.739 61.300 -0.137 0.000 1.332 410 I CB -0.564 37.316 38.000 -0.200 0.000 1.033 410 I HN 0.175 nan 8.210 nan 0.000 0.410 411 L N 0.193 121.317 121.223 -0.164 0.000 1.971 411 L HA -0.245 4.110 4.340 0.025 0.000 0.215 411 L C 2.703 179.547 176.870 -0.043 0.000 1.072 411 L CA 1.565 56.247 54.840 -0.263 0.000 0.758 411 L CB -1.042 40.549 42.059 -0.780 0.000 0.889 411 L HN 0.139 nan 8.230 nan 0.000 0.433 412 V N -0.222 119.796 119.914 0.174 0.000 2.380 412 V HA -0.314 3.821 4.120 0.025 0.000 0.251 412 V C 2.606 178.834 176.094 0.223 0.000 1.063 412 V CA 1.860 64.377 62.300 0.362 0.000 1.055 412 V CB -0.931 31.101 31.823 0.348 0.000 0.657 412 V HN 0.440 nan 8.190 nan 0.000 0.455 413 R N 0.301 120.887 120.500 0.143 0.000 2.091 413 R HA -0.123 4.232 4.340 0.025 0.000 0.238 413 R C 2.244 178.643 176.300 0.165 0.000 1.136 413 R CA 1.164 57.341 56.100 0.130 0.000 0.959 413 R CB -0.299 30.057 30.300 0.093 0.000 0.856 413 R HN 0.436 nan 8.270 nan 0.000 0.437 414 K N 0.116 120.619 120.400 0.173 0.000 2.365 414 K HA 0.111 4.446 4.320 0.025 0.000 0.197 414 K C 1.665 178.459 176.600 0.323 0.000 1.042 414 K CA 0.510 56.957 56.287 0.268 0.000 0.987 414 K CB 0.330 33.000 32.500 0.283 0.000 0.779 414 K HN -0.011 nan 8.250 nan 0.000 0.484 415 S N 1.421 117.263 115.700 0.238 0.000 2.603 415 S HA -0.010 4.475 4.470 0.025 0.000 0.229 415 S C 0.247 175.030 174.600 0.304 0.000 0.972 415 S CA 0.338 58.694 58.200 0.260 0.000 0.935 415 S CB -0.062 63.398 63.200 0.433 0.000 0.769 415 S HN 0.283 nan 8.310 nan 0.000 0.536 416 E N 2.480 122.861 120.200 0.302 0.000 2.180 416 E HA 0.331 4.696 4.350 0.025 0.000 0.283 416 E C 0.518 177.263 176.600 0.240 0.000 1.061 416 E CA -0.251 56.298 56.400 0.249 0.000 0.861 416 E CB 0.332 30.139 29.700 0.180 0.000 1.056 416 E HN 0.450 nan 8.360 nan 0.000 0.407 417 Q N 4.493 124.408 119.800 0.193 0.000 2.479 417 Q HA 0.116 4.471 4.340 0.025 0.000 0.267 417 Q C -2.160 173.810 176.000 -0.050 0.000 1.071 417 Q CA -1.157 54.636 55.803 -0.018 0.000 0.935 417 Q CB -1.053 27.719 28.738 0.057 0.000 1.295 417 Q HN 0.336 nan 8.270 nan 0.000 0.476 418 P HA 0.285 nan 4.420 nan 0.000 0.267 418 P C -0.415 176.934 177.300 0.081 0.000 1.205 418 P CA 0.714 63.758 63.100 -0.094 0.000 0.765 418 P CB -0.357 31.233 31.700 -0.183 0.000 0.828 419 D N 1.923 122.390 120.400 0.111 0.000 2.455 419 D HA 0.272 4.927 4.640 0.025 0.000 0.241 419 D C 1.457 177.920 176.300 0.270 0.000 1.138 419 D CA 0.335 54.468 54.000 0.221 0.000 0.877 419 D CB -0.176 40.650 40.800 0.043 0.000 1.187 419 D HN 0.531 nan 8.370 nan 0.000 0.451 420 E N -0.108 120.429 120.200 0.561 0.000 2.515 420 E HA 0.162 4.527 4.350 0.025 0.000 0.201 420 E C 2.142 178.872 176.600 0.216 0.000 1.071 420 E CA 1.486 58.075 56.400 0.316 0.000 0.880 420 E CB -1.259 28.595 29.700 0.257 0.000 0.828 420 E HN 0.848 nan 8.360 nan 0.000 0.540 421 K N 0.827 121.328 120.400 0.168 0.000 2.001 421 K HA -0.108 4.227 4.320 0.025 0.000 0.208 421 K C 2.569 179.194 176.600 0.042 0.000 1.048 421 K CA 1.837 58.162 56.287 0.064 0.000 0.932 421 K CB -1.139 31.360 32.500 -0.001 0.000 0.715 421 K HN 0.771 nan 8.250 nan 0.000 0.437 422 S N 0.458 116.178 115.700 0.034 0.000 2.515 422 S HA 0.036 4.520 4.470 0.025 0.000 0.231 422 S C 1.092 175.702 174.600 0.016 0.000 0.987 422 S CA 0.639 58.846 58.200 0.011 0.000 0.936 422 S CB -0.498 62.699 63.200 -0.005 0.000 0.766 422 S HN 1.250 nan 8.310 nan 0.000 0.528 423 L N 0.735 121.984 121.223 0.044 0.000 3.833 423 L HA -0.248 4.107 4.340 0.025 0.000 0.447 423 L C 0.507 177.379 176.870 0.002 0.000 1.213 423 L CA 0.189 55.049 54.840 0.033 0.000 0.801 423 L CB -2.418 39.655 42.059 0.023 0.000 1.676 423 L HN 1.215 nan 8.230 nan 0.000 0.883 424 A N -0.431 122.386 122.820 -0.006 0.000 2.203 424 A HA 0.046 4.381 4.320 0.025 0.000 0.279 424 A C 1.407 178.977 177.584 -0.024 0.000 1.396 424 A CA 1.956 53.976 52.037 -0.028 0.000 0.747 424 A CB -1.981 16.997 19.000 -0.036 0.000 1.151 424 A HN 2.057 nan 8.150 nan 0.000 0.345 425 K N -1.266 119.120 120.400 -0.023 0.000 2.505 425 K HA 0.378 4.713 4.320 0.025 0.000 0.192 425 K C 0.870 177.455 176.600 -0.026 0.000 1.025 425 K CA 1.479 57.754 56.287 -0.021 0.000 1.086 425 K CB -0.786 31.702 32.500 -0.019 0.000 0.840 425 K HN 2.127 nan 8.250 nan 0.000 0.514 426 W N -0.634 120.647 121.300 -0.032 0.000 2.141 426 W HA 0.696 5.371 4.660 0.025 0.000 0.354 426 W C 0.692 177.197 176.519 -0.023 0.000 1.297 426 W CA -0.757 56.568 57.345 -0.034 0.000 1.380 426 W CB -0.217 29.216 29.460 -0.046 0.000 1.168 426 W HN 0.649 nan 8.180 nan 0.000 0.639 427 S N 0.140 115.830 115.700 -0.017 0.000 2.617 427 S HA 0.417 4.902 4.470 0.025 0.000 0.283 427 S C 1.462 176.063 174.600 0.002 0.000 1.189 427 S CA 0.252 58.447 58.200 -0.008 0.000 1.036 427 S CB 1.181 64.377 63.200 -0.007 0.000 1.014 427 S HN 1.726 nan 8.310 nan 0.000 0.522 428 S N 1.288 116.993 115.700 0.009 0.000 2.407 428 S HA -0.202 4.283 4.470 0.025 0.000 0.235 428 S C 1.648 176.270 174.600 0.037 0.000 1.036 428 S CA 2.416 60.629 58.200 0.022 0.000 1.013 428 S CB -0.726 62.487 63.200 0.021 0.000 0.820 428 S HN 0.865 nan 8.310 nan 0.000 0.476 429 D N 1.466 121.883 120.400 0.028 0.000 2.137 429 D HA -0.178 4.477 4.640 0.025 0.000 0.189 429 D C 1.896 178.229 176.300 0.054 0.000 0.998 429 D CA 2.245 56.267 54.000 0.036 0.000 0.839 429 D CB -1.584 39.227 40.800 0.019 0.000 0.962 429 D HN 0.588 nan 8.370 nan 0.000 0.446 430 D N 1.442 121.864 120.400 0.036 0.000 2.106 430 D HA -0.119 4.535 4.640 0.025 0.000 0.191 430 D C 2.712 179.083 176.300 0.119 0.000 0.997 430 D CA 2.323 56.351 54.000 0.046 0.000 0.834 430 D CB -0.860 39.938 40.800 -0.004 0.000 0.956 430 D HN 0.318 nan 8.370 nan 0.000 0.448 431 L N 0.050 121.325 121.223 0.087 0.000 2.046 431 L HA 0.011 4.366 4.340 0.025 0.000 0.208 431 L C 3.411 180.393 176.870 0.187 0.000 1.077 431 L CA 1.999 56.913 54.840 0.123 0.000 0.747 431 L CB -1.030 41.063 42.059 0.056 0.000 0.896 431 L HN 0.542 nan 8.230 nan 0.000 0.432 432 E N 0.145 120.424 120.200 0.131 0.000 2.051 432 E HA -0.296 4.069 4.350 0.025 0.000 0.192 432 E C 2.259 178.954 176.600 0.157 0.000 0.991 432 E CA 1.880 58.353 56.400 0.122 0.000 0.799 432 E CB -1.526 28.224 29.700 0.084 0.000 0.748 432 E HN 0.727 nan 8.360 nan 0.000 0.449 433 C N -0.194 119.211 119.300 0.175 0.000 2.425 433 C HA 0.267 4.742 4.460 0.025 0.000 0.277 433 C C 2.627 177.811 174.990 0.324 0.000 1.280 433 C CA 1.418 60.570 59.018 0.223 0.000 1.744 433 C CB -1.140 26.729 27.740 0.214 0.000 1.989 433 C HN 0.631 nan 8.230 nan 0.000 0.491 434 F N 2.252 122.329 119.950 0.211 0.000 2.134 434 F HA -0.035 4.507 4.527 0.026 0.000 0.299 434 F C 2.788 178.723 175.800 0.224 0.000 1.097 434 F CA 2.912 61.076 58.000 0.274 0.000 1.264 434 F CB -0.458 38.651 39.000 0.181 0.000 1.001 434 F HN 0.323 nan 8.300 nan 0.000 0.479 435 R N 0.138 120.756 120.500 0.198 0.000 2.096 435 R HA -0.215 4.139 4.340 0.025 0.000 0.240 435 R C 2.359 178.649 176.300 -0.017 0.000 1.139 435 R CA 2.096 58.233 56.100 0.062 0.000 0.952 435 R CB -2.397 27.976 30.300 0.121 0.000 0.854 435 R HN 0.762 nan 8.270 nan 0.000 0.436 436 C N -0.636 118.688 119.300 0.040 0.000 2.432 436 C HA 0.005 4.480 4.460 0.025 0.000 0.277 436 C C 2.576 177.534 174.990 -0.053 0.000 1.249 436 C CA 1.530 60.557 59.018 0.015 0.000 1.725 436 C CB -1.112 26.663 27.740 0.057 0.000 2.028 436 C HN 0.757 nan 8.230 nan 0.000 0.477 437 Y N 2.178 122.336 120.300 -0.236 0.000 2.040 437 Y HA -0.243 4.322 4.550 0.025 0.000 0.275 437 Y C 2.964 178.625 175.900 -0.399 0.000 1.171 437 Y CA 3.903 61.737 58.100 -0.444 0.000 1.123 437 Y CB -0.902 37.214 38.460 -0.573 0.000 0.963 437 Y HN 0.465 nan 8.280 nan 0.000 0.493 438 R N 0.057 120.191 120.500 -0.609 0.000 2.133 438 R HA -0.235 4.120 4.340 0.025 0.000 0.247 438 R C 2.256 178.452 176.300 -0.173 0.000 1.151 438 R CA 3.040 58.826 56.100 -0.524 0.000 0.971 438 R CB -2.151 27.839 30.300 -0.516 0.000 0.866 438 R HN 0.728 nan 8.270 nan 0.000 0.447 439 Q N 1.415 121.143 119.800 -0.121 0.000 2.061 439 Q HA -0.208 4.147 4.340 0.025 0.000 0.204 439 Q C 2.069 178.009 176.000 -0.101 0.000 0.984 439 Q CA 1.843 57.620 55.803 -0.043 0.000 0.846 439 Q CB -0.583 28.134 28.738 -0.033 0.000 0.902 439 Q HN 0.838 nan 8.270 nan 0.000 0.421 440 D N -0.164 120.122 120.400 -0.190 0.000 2.178 440 D HA -0.038 4.617 4.640 0.025 0.000 0.202 440 D C 1.837 177.983 176.300 -0.257 0.000 0.974 440 D CA 1.040 54.914 54.000 -0.209 0.000 0.841 440 D CB -0.036 40.630 40.800 -0.223 0.000 0.953 440 D HN 0.557 nan 8.370 nan 0.000 0.478 441 I N 0.639 120.975 120.570 -0.390 0.000 2.546 441 I HA -0.185 4.000 4.170 0.025 0.000 0.255 441 I C 1.847 177.819 176.117 -0.241 0.000 1.163 441 I CA 0.692 61.731 61.300 -0.434 0.000 1.457 441 I CB 0.257 37.861 38.000 -0.660 0.000 1.092 441 I HN -0.177 nan 8.210 nan 0.000 0.434 442 S N 0.187 115.891 115.700 0.007 0.000 2.446 442 S HA -0.096 4.389 4.470 0.025 0.000 0.225 442 S C 1.318 176.015 174.600 0.163 0.000 1.016 442 S CA 0.743 59.078 58.200 0.226 0.000 0.943 442 S CB -0.119 63.142 63.200 0.101 0.000 0.786 442 S HN 0.450 nan 8.310 nan 0.000 0.508 443 D N 1.521 121.949 120.400 0.047 0.000 2.103 443 D HA -0.037 4.618 4.640 0.025 0.000 0.199 443 D C 2.047 178.410 176.300 0.105 0.000 0.978 443 D CA 1.259 55.299 54.000 0.067 0.000 0.829 443 D CB -0.682 40.097 40.800 -0.034 0.000 0.981 443 D HN 0.257 nan 8.370 nan 0.000 0.464 444 T N 0.358 114.899 114.554 -0.022 0.000 2.684 444 T HA -0.175 4.190 4.350 0.025 0.000 0.267 444 T C 1.815 176.577 174.700 0.104 0.000 1.036 444 T CA 0.855 62.943 62.100 -0.020 0.000 1.148 444 T CB -0.680 68.100 68.868 -0.147 0.000 0.863 444 T HN 0.133 nan 8.240 nan 0.000 0.436 445 F N 1.099 121.066 119.950 0.029 0.000 2.015 445 F HA -0.263 4.278 4.527 0.025 0.000 0.297 445 F C 2.755 178.615 175.800 0.100 0.000 1.141 445 F CA 1.168 59.181 58.000 0.022 0.000 1.192 445 F CB -0.376 38.607 39.000 -0.027 0.000 0.957 445 F HN 0.022 nan 8.300 nan 0.000 0.491 446 M N -0.575 119.244 119.600 0.365 0.000 2.308 446 M HA -0.346 4.149 4.480 0.025 0.000 0.257 446 M C 2.115 178.639 176.300 0.373 0.000 1.070 446 M CA 2.032 57.531 55.300 0.331 0.000 1.080 446 M CB -1.726 31.079 32.600 0.342 0.000 1.274 446 M HN 0.208 nan 8.290 nan 0.000 0.434 447 Y N 0.607 121.031 120.300 0.206 0.000 2.062 447 Y HA -0.329 4.234 4.550 0.021 0.000 0.276 447 Y C 3.082 179.099 175.900 0.195 0.000 1.189 447 Y CA 2.215 60.439 58.100 0.205 0.000 1.130 447 Y CB -1.412 37.153 38.460 0.175 0.000 0.959 447 Y HN 0.656 nan 8.280 nan 0.000 0.499 448 C N -1.506 117.967 119.300 0.288 0.000 2.419 448 C HA -0.194 4.281 4.460 0.025 0.000 0.283 448 C C 2.486 177.564 174.990 0.146 0.000 1.373 448 C CA 0.328 59.448 59.018 0.171 0.000 1.781 448 C CB -2.192 25.598 27.740 0.085 0.000 1.886 448 C HN 0.607 nan 8.230 nan 0.000 0.520 449 Y N 2.358 122.670 120.300 0.020 0.000 2.274 449 Y HA -0.120 4.445 4.550 0.024 0.000 0.290 449 Y C 2.246 178.090 175.900 -0.093 0.000 1.145 449 Y CA 2.008 60.030 58.100 -0.130 0.000 1.203 449 Y CB -0.503 37.702 38.460 -0.426 0.000 0.984 449 Y HN 0.291 nan 8.280 nan 0.000 0.533 450 D N -0.428 120.081 120.400 0.182 0.000 2.263 450 D HA -0.145 4.510 4.640 0.025 0.000 0.208 450 D C 2.057 178.399 176.300 0.070 0.000 0.971 450 D CA 0.968 55.031 54.000 0.106 0.000 0.867 450 D CB 0.075 40.953 40.800 0.129 0.000 0.929 450 D HN 0.355 nan 8.370 nan 0.000 0.492 451 V N 0.231 120.297 119.914 0.254 0.000 2.346 451 V HA 0.011 4.146 4.120 0.025 0.000 0.244 451 V C 1.238 177.548 176.094 0.361 0.000 1.037 451 V CA 1.626 64.207 62.300 0.467 0.000 1.029 451 V CB -0.150 31.934 31.823 0.435 0.000 0.663 451 V HN 0.327 nan 8.190 nan 0.000 0.454 452 L N 1.534 122.778 121.223 0.035 0.000 2.401 452 L HA 0.520 4.874 4.340 0.025 0.000 0.263 452 L C 1.059 177.657 176.870 -0.453 0.000 1.004 452 L CA -0.053 54.730 54.840 -0.096 0.000 0.881 452 L CB 0.295 42.310 42.059 -0.074 0.000 1.219 452 L HN 0.361 nan 8.230 nan 0.000 0.441 453 N N 0.079 118.491 118.700 -0.480 0.000 2.192 453 N HA -0.194 4.561 4.740 0.025 0.000 0.188 453 N C 0.778 175.914 175.510 -0.623 0.000 1.013 453 N CA 2.583 55.129 53.050 -0.840 0.000 0.863 453 N CB 0.119 38.462 38.487 -0.240 0.000 0.990 453 N HN 0.819 nan 8.380 nan 0.000 0.430 454 D N -1.500 118.724 120.400 -0.292 0.000 2.531 454 D HA 0.091 4.746 4.640 0.025 0.000 0.263 454 D C 2.275 178.492 176.300 -0.137 0.000 1.057 454 D CA 0.483 54.399 54.000 -0.141 0.000 0.909 454 D CB -1.233 39.537 40.800 -0.050 0.000 1.236 454 D HN 0.360 nan 8.370 nan 0.000 0.494 455 Y N 0.797 121.016 120.300 -0.136 0.000 2.132 455 Y HA -0.105 4.460 4.550 0.025 0.000 0.280 455 Y C 2.684 178.520 175.900 -0.106 0.000 1.193 455 Y CA 2.074 60.115 58.100 -0.098 0.000 1.157 455 Y CB -0.947 37.464 38.460 -0.081 0.000 0.966 455 Y HN 0.400 nan 8.280 nan 0.000 0.511 456 I N -0.200 120.279 120.570 -0.152 0.000 2.208 456 I HA -0.312 3.873 4.170 0.025 0.000 0.245 456 I C 2.586 178.604 176.117 -0.166 0.000 1.097 456 I CA 1.589 62.810 61.300 -0.131 0.000 1.363 456 I CB -0.412 37.516 38.000 -0.120 0.000 1.051 456 I HN 0.532 nan 8.210 nan 0.000 0.413 457 L N 0.531 121.654 121.223 -0.167 0.000 2.189 457 L HA -0.282 4.073 4.340 0.025 0.000 0.214 457 L C 2.685 179.482 176.870 -0.121 0.000 1.097 457 L CA 1.569 56.295 54.840 -0.190 0.000 0.764 457 L CB -0.485 41.528 42.059 -0.077 0.000 0.900 457 L HN 0.279 nan 8.230 nan 0.000 0.436 458 E N 0.464 120.622 120.200 -0.071 0.000 2.016 458 E HA -0.185 4.180 4.350 0.025 0.000 0.190 458 E C 2.011 178.600 176.600 -0.019 0.000 0.985 458 E CA 1.204 57.590 56.400 -0.024 0.000 0.802 458 E CB -0.305 29.383 29.700 -0.021 0.000 0.762 458 E HN 0.528 nan 8.360 nan 0.000 0.448 459 I N 0.762 121.309 120.570 -0.039 0.000 2.118 459 I HA -0.304 3.881 4.170 0.025 0.000 0.241 459 I C 2.738 178.846 176.117 -0.016 0.000 1.070 459 I CA 1.712 63.001 61.300 -0.019 0.000 1.327 459 I CB -0.419 37.570 38.000 -0.020 0.000 1.034 459 I HN 0.268 nan 8.210 nan 0.000 0.405 460 L N 0.352 121.509 121.223 -0.109 0.000 2.043 460 L HA -0.283 4.072 4.340 0.025 0.000 0.212 460 L C 2.869 179.835 176.870 0.161 0.000 1.075 460 L CA 1.562 56.317 54.840 -0.141 0.000 0.752 460 L CB -1.023 40.589 42.059 -0.745 0.000 0.891 460 L HN 0.321 nan 8.230 nan 0.000 0.432 461 A N 0.246 123.172 122.820 0.177 0.000 1.858 461 A HA -0.192 4.143 4.320 0.025 0.000 0.216 461 A C 2.609 180.279 177.584 0.144 0.000 1.190 461 A CA 1.925 54.125 52.037 0.271 0.000 0.617 461 A CB -0.864 18.247 19.000 0.186 0.000 0.827 461 A HN 0.403 nan 8.150 nan 0.000 0.443 462 A N -0.451 122.421 122.820 0.086 0.000 1.903 462 A HA -0.258 4.077 4.320 0.025 0.000 0.219 462 A C 2.267 179.890 177.584 0.065 0.000 1.191 462 A CA 2.227 54.300 52.037 0.059 0.000 0.638 462 A CB -0.661 18.364 19.000 0.041 0.000 0.823 462 A HN 0.562 nan 8.150 nan 0.000 0.451 463 M N -1.566 118.084 119.600 0.082 0.000 2.460 463 M HA -0.042 4.453 4.480 0.025 0.000 0.263 463 M C 1.991 178.348 176.300 0.095 0.000 1.071 463 M CA 0.831 56.183 55.300 0.086 0.000 1.096 463 M CB -0.203 32.458 32.600 0.101 0.000 1.408 463 M HN 0.454 nan 8.290 nan 0.000 0.463 464 L N 0.299 121.594 121.223 0.121 0.000 2.162 464 L HA -0.045 4.310 4.340 0.025 0.000 0.205 464 L C 1.713 178.602 176.870 0.033 0.000 1.086 464 L CA 1.740 56.630 54.840 0.083 0.000 0.778 464 L CB -0.483 41.620 42.059 0.072 0.000 0.928 464 L HN 0.122 nan 8.230 nan 0.000 0.446 465 D N -0.072 120.349 120.400 0.036 0.000 2.097 465 D HA -0.208 4.447 4.640 0.025 0.000 0.195 465 D C 1.962 178.266 176.300 0.006 0.000 0.989 465 D CA 1.471 55.480 54.000 0.014 0.000 0.827 465 D CB 0.069 40.880 40.800 0.019 0.000 0.966 465 D HN 0.494 nan 8.370 nan 0.000 0.456 466 E N 0.731 120.940 120.200 0.014 0.000 2.051 466 E HA -0.130 4.235 4.350 0.025 0.000 0.192 466 E C 2.141 178.733 176.600 -0.012 0.000 0.991 466 E CA 0.911 57.311 56.400 -0.000 0.000 0.799 466 E CB -0.095 29.609 29.700 0.007 0.000 0.748 466 E HN 0.167 nan 8.360 nan 0.000 0.449 467 A N 1.075 123.898 122.820 0.005 0.000 2.032 467 A HA -0.214 4.121 4.320 0.025 0.000 0.221 467 A C 2.084 179.665 177.584 -0.006 0.000 1.165 467 A CA 1.205 53.245 52.037 0.004 0.000 0.645 467 A CB -0.680 18.341 19.000 0.036 0.000 0.807 467 A HN 0.182 nan 8.150 nan 0.000 0.453 468 I N -0.670 119.893 120.570 -0.011 0.000 2.193 468 I HA -0.177 4.008 4.170 0.025 0.000 0.240 468 I C 2.745 178.848 176.117 -0.024 0.000 1.084 468 I CA 1.036 62.325 61.300 -0.019 0.000 1.365 468 I CB -0.397 37.590 38.000 -0.022 0.000 1.064 468 I HN 0.296 nan 8.210 nan 0.000 0.410 469 A N 0.534 123.336 122.820 -0.029 0.000 2.248 469 A HA -0.113 4.222 4.320 0.025 0.000 0.210 469 A C 1.876 179.424 177.584 -0.060 0.000 1.174 469 A CA 1.722 53.733 52.037 -0.043 0.000 0.750 469 A CB -1.336 17.641 19.000 -0.038 0.000 0.780 469 A HN 0.549 nan 8.150 nan 0.000 0.478 470 D N -1.116 119.252 120.400 -0.052 0.000 2.197 470 D HA 0.270 4.925 4.640 0.025 0.000 0.212 470 D C 2.071 178.420 176.300 0.081 0.000 0.963 470 D CA 1.539 55.493 54.000 -0.076 0.000 0.864 470 D CB -0.740 39.960 40.800 -0.166 0.000 1.009 470 D HN 0.678 nan 8.370 nan 0.000 0.479 471 L N 0.153 121.416 121.223 0.065 0.000 2.131 471 L HA 0.108 4.463 4.340 0.025 0.000 0.206 471 L C 2.615 179.502 176.870 0.029 0.000 1.087 471 L CA 2.321 57.212 54.840 0.084 0.000 0.767 471 L CB -1.626 40.463 42.059 0.050 0.000 0.917 471 L HN 0.568 nan 8.230 nan 0.000 0.441 472 Q N -0.490 119.303 119.800 -0.012 0.000 2.045 472 Q HA -0.335 4.020 4.340 0.025 0.000 0.206 472 Q C 2.518 178.472 176.000 -0.077 0.000 0.991 472 Q CA 2.820 58.599 55.803 -0.040 0.000 0.851 472 Q CB -0.100 28.610 28.738 -0.047 0.000 0.911 472 Q HN 0.745 nan 8.270 nan 0.000 0.418 473 R N -0.963 119.445 120.500 -0.155 0.000 2.093 473 R HA 0.031 4.386 4.340 0.025 0.000 0.224 473 R C 0.249 176.291 176.300 -0.430 0.000 1.101 473 R CA 0.950 56.842 56.100 -0.347 0.000 0.979 473 R CB 0.287 30.267 30.300 -0.534 0.000 0.877 473 R HN 0.350 nan 8.270 nan 0.000 0.441 474 H N -0.185 118.936 119.070 0.085 0.000 2.953 474 H HA 0.156 4.727 4.556 0.025 0.000 0.290 474 H C -2.080 173.244 175.328 -0.007 0.000 1.113 474 H CA -2.495 53.566 56.048 0.021 0.000 1.454 474 H CB 1.514 31.266 29.762 -0.017 0.000 1.525 474 H HN 0.003 nan 8.280 nan 0.000 0.505 475 P HA -0.085 nan 4.420 nan 0.000 0.236 475 P C 0.848 178.172 177.300 0.039 0.000 1.172 475 P CA 0.741 63.872 63.100 0.051 0.000 0.759 475 P CB 0.040 31.765 31.700 0.043 0.000 0.843 476 T N -1.601 112.905 114.554 -0.080 0.000 3.129 476 T HA 0.005 4.370 4.350 0.025 0.000 0.251 476 T C 0.783 175.128 174.700 -0.592 0.000 1.117 476 T CA 0.303 62.270 62.100 -0.222 0.000 1.034 476 T CB -0.617 68.063 68.868 -0.312 0.000 0.968 476 T HN 0.275 nan 8.240 nan 0.000 0.526 477 H N 1.320 120.232 119.070 -0.263 0.000 2.970 477 H HA 0.080 4.652 4.556 0.025 0.000 0.226 477 H C 0.669 175.866 175.328 -0.219 0.000 1.909 477 H CA -0.682 55.166 56.048 -0.333 0.000 1.388 477 H CB -0.517 29.170 29.762 -0.126 0.000 1.773 477 H HN 0.678 nan 8.280 nan 0.000 0.559 478 W N 0.882 122.252 121.300 0.118 0.000 2.576 478 W HA 0.044 4.719 4.660 0.025 0.000 0.270 478 W C 1.402 177.980 176.519 0.099 0.000 1.255 478 W CA 0.158 57.553 57.345 0.084 0.000 1.314 478 W CB -0.701 28.791 29.460 0.053 0.000 1.101 478 W HN -0.021 nan 8.180 nan 0.000 0.595 479 T N 1.547 116.085 114.554 -0.027 0.000 2.720 479 T HA -0.217 4.147 4.350 0.025 0.000 0.268 479 T C 1.691 176.499 174.700 0.181 0.000 1.037 479 T CA 2.451 64.684 62.100 0.221 0.000 1.144 479 T CB -0.203 68.686 68.868 0.034 0.000 0.864 479 T HN 0.196 nan 8.240 nan 0.000 0.444 480 K N 0.331 120.787 120.400 0.095 0.000 2.217 480 K HA 0.083 4.418 4.320 0.025 0.000 0.202 480 K C 2.511 179.187 176.600 0.127 0.000 1.051 480 K CA 1.090 57.431 56.287 0.091 0.000 0.952 480 K CB -0.424 32.081 32.500 0.009 0.000 0.736 480 K HN 0.322 nan 8.250 nan 0.000 0.453 481 L N 1.058 122.369 121.223 0.147 0.000 2.044 481 L HA -0.027 4.328 4.340 0.025 0.000 0.205 481 L C 2.298 179.281 176.870 0.188 0.000 1.075 481 L CA 2.103 57.028 54.840 0.143 0.000 0.747 481 L CB -1.163 40.979 42.059 0.138 0.000 0.903 481 L HN 0.200 nan 8.230 nan 0.000 0.435 482 E N 0.251 120.598 120.200 0.245 0.000 2.106 482 E HA -0.165 4.200 4.350 0.025 0.000 0.192 482 E C 2.315 179.085 176.600 0.284 0.000 0.984 482 E CA 1.416 57.972 56.400 0.260 0.000 0.806 482 E CB -0.023 29.839 29.700 0.270 0.000 0.750 482 E HN 0.682 nan 8.360 nan 0.000 0.458 483 A N 1.360 124.343 122.820 0.271 0.000 1.873 483 A HA -0.174 4.161 4.320 0.025 0.000 0.215 483 A C 2.781 180.563 177.584 0.330 0.000 1.186 483 A CA 1.893 54.113 52.037 0.306 0.000 0.616 483 A CB -1.380 17.772 19.000 0.254 0.000 0.823 483 A HN 0.639 nan 8.150 nan 0.000 0.442 484 C N 0.109 119.560 119.300 0.251 0.000 2.436 484 C HA 0.051 4.526 4.460 0.025 0.000 0.277 484 C C 2.589 177.745 174.990 0.277 0.000 1.241 484 C CA 1.459 60.623 59.018 0.243 0.000 1.721 484 C CB -1.273 26.574 27.740 0.179 0.000 2.043 484 C HN 0.566 nan 8.230 nan 0.000 0.472 485 I N -0.891 119.803 120.570 0.207 0.000 2.151 485 I HA -0.248 3.937 4.170 0.025 0.000 0.243 485 I C 2.651 178.904 176.117 0.227 0.000 1.080 485 I CA 2.392 63.784 61.300 0.154 0.000 1.339 485 I CB -0.701 37.375 38.000 0.126 0.000 1.039 485 I HN 0.599 nan 8.210 nan 0.000 0.409 486 Y N 1.663 122.058 120.300 0.158 0.000 2.151 486 Y HA -0.374 4.191 4.550 0.025 0.000 0.284 486 Y C 2.962 178.925 175.900 0.104 0.000 1.166 486 Y CA 1.929 60.119 58.100 0.151 0.000 1.163 486 Y CB -0.479 38.089 38.460 0.180 0.000 0.974 486 Y HN 0.232 nan 8.280 nan 0.000 0.511 487 S N -0.535 115.209 115.700 0.073 0.000 2.383 487 S HA -0.237 4.248 4.470 0.025 0.000 0.229 487 S C 1.960 176.273 174.600 -0.478 0.000 1.030 487 S CA 1.533 59.515 58.200 -0.364 0.000 1.002 487 S CB -0.993 62.077 63.200 -0.216 0.000 0.829 487 S HN 0.427 nan 8.310 nan 0.000 0.467 488 F N 1.848 121.653 119.950 -0.242 0.000 2.113 488 F HA 0.050 4.593 4.527 0.027 0.000 0.297 488 F C 2.886 178.675 175.800 -0.018 0.000 1.103 488 F CA 1.675 59.605 58.000 -0.116 0.000 1.248 488 F CB -0.748 38.219 39.000 -0.055 0.000 0.999 488 F HN 0.324 nan 8.300 nan 0.000 0.475 489 Q N 0.233 120.137 119.800 0.173 0.000 2.181 489 Q HA -0.212 4.143 4.340 0.025 0.000 0.205 489 Q C 2.312 178.232 176.000 -0.133 0.000 0.980 489 Q CA 1.708 57.587 55.803 0.126 0.000 0.862 489 Q CB -0.334 28.436 28.738 0.054 0.000 0.905 489 Q HN 0.514 nan 8.270 nan 0.000 0.429 490 S N 0.096 115.602 115.700 -0.322 0.000 2.419 490 S HA -0.065 4.420 4.470 0.025 0.000 0.233 490 S C 1.662 176.142 174.600 -0.201 0.000 1.016 490 S CA 1.501 59.513 58.200 -0.314 0.000 0.974 490 S CB -0.558 62.413 63.200 -0.382 0.000 0.786 490 S HN 0.420 nan 8.310 nan 0.000 0.492 491 V N -0.318 119.451 119.914 -0.241 0.000 3.271 491 V HA 0.766 4.901 4.120 0.025 0.000 0.327 491 V C 1.644 177.604 176.094 -0.224 0.000 1.389 491 V CA 0.710 62.892 62.300 -0.198 0.000 1.156 491 V CB -0.618 31.059 31.823 -0.244 0.000 1.103 491 V HN 0.492 nan 8.190 nan 0.000 0.453 492 A N -0.073 122.577 122.820 -0.285 0.000 2.276 492 A HA 0.467 4.802 4.320 0.025 0.000 0.212 492 A C 1.278 178.656 177.584 -0.344 0.000 1.230 492 A CA 1.082 52.801 52.037 -0.531 0.000 0.844 492 A CB -0.451 18.144 19.000 -0.675 0.000 0.860 492 A HN 1.132 nan 8.150 nan 0.000 0.486 493 E N 0.066 120.126 120.200 -0.232 0.000 2.651 493 E HA 0.385 4.750 4.350 0.025 0.000 0.213 493 E C -0.081 176.260 176.600 -0.432 0.000 1.028 493 E CA -0.500 55.745 56.400 -0.257 0.000 1.183 493 E CB -0.393 29.178 29.700 -0.216 0.000 1.188 493 E HN 0.750 nan 8.360 nan 0.000 0.444 502 Q N 0.506 120.358 119.800 0.085 0.000 2.181 502 Q HA 0.084 4.439 4.340 0.025 0.000 0.205 502 Q C 2.239 178.317 176.000 0.131 0.000 0.980 502 Q CA 1.910 57.781 55.803 0.114 0.000 0.862 502 Q CB -0.531 28.277 28.738 0.115 0.000 0.905 502 Q HN 0.781 nan 8.270 nan 0.000 0.429 503 I N 1.062 121.653 120.570 0.035 0.000 2.193 503 I HA -0.142 4.043 4.170 0.025 0.000 0.240 503 I C -0.413 175.477 176.117 -0.378 0.000 1.084 503 I CA 1.154 62.353 61.300 -0.169 0.000 1.365 503 I CB -1.573 36.148 38.000 -0.465 0.000 1.064 503 I HN 0.278 nan 8.210 nan 0.000 0.410 504 P HA -0.179 nan 4.420 nan 0.000 0.218 504 P C 1.499 178.717 177.300 -0.137 0.000 1.148 504 P CA 1.546 64.558 63.100 -0.148 0.000 0.822 504 P CB -0.196 31.578 31.700 0.123 0.000 0.784 505 R N -0.603 119.832 120.500 -0.109 0.000 2.113 505 R HA -0.180 4.174 4.340 0.025 0.000 0.244 505 R C 2.497 178.661 176.300 -0.227 0.000 1.142 505 R CA 1.488 57.519 56.100 -0.115 0.000 0.953 505 R CB -1.266 28.988 30.300 -0.076 0.000 0.860 505 R HN 0.161 nan 8.270 nan 0.000 0.438 506 L N 0.762 121.748 121.223 -0.395 0.000 2.013 506 L HA -0.250 4.105 4.340 0.025 0.000 0.212 506 L C 2.185 178.811 176.870 -0.406 0.000 1.073 506 L CA 1.897 56.370 54.840 -0.610 0.000 0.753 506 L CB -0.385 41.096 42.059 -0.964 0.000 0.890 506 L HN 0.189 nan 8.230 nan 0.000 0.432 507 M N -0.687 118.706 119.600 -0.345 0.000 2.065 507 M HA -0.234 4.260 4.480 0.025 0.000 0.259 507 M C 2.468 178.701 176.300 -0.112 0.000 1.069 507 M CA 1.972 57.145 55.300 -0.211 0.000 1.110 507 M CB -1.011 31.514 32.600 -0.125 0.000 1.328 507 M HN 0.287 nan 8.290 nan 0.000 0.405 508 R N -0.303 120.145 120.500 -0.087 0.000 2.080 508 R HA -0.118 4.237 4.340 0.025 0.000 0.236 508 R C 2.230 178.498 176.300 -0.053 0.000 1.137 508 R CA 1.450 57.523 56.100 -0.045 0.000 0.943 508 R CB -0.973 29.306 30.300 -0.034 0.000 0.846 508 R HN 0.192 nan 8.270 nan 0.000 0.431 509 V N 1.735 121.592 119.914 -0.095 0.000 2.324 509 V HA -0.270 3.865 4.120 0.025 0.000 0.250 509 V C 2.323 178.387 176.094 -0.050 0.000 1.060 509 V CA 1.828 64.073 62.300 -0.092 0.000 1.042 509 V CB -0.544 31.190 31.823 -0.148 0.000 0.650 509 V HN 0.308 nan 8.190 nan 0.000 0.450 510 L N -0.179 121.023 121.223 -0.035 0.000 2.046 510 L HA -0.170 4.185 4.340 0.025 0.000 0.208 510 L C 2.748 179.739 176.870 0.201 0.000 1.077 510 L CA 1.668 56.575 54.840 0.112 0.000 0.747 510 L CB -0.915 41.157 42.059 0.023 0.000 0.896 510 L HN 0.391 nan 8.230 nan 0.000 0.432 511 A N 0.329 123.198 122.820 0.082 0.000 1.873 511 A HA -0.208 4.127 4.320 0.025 0.000 0.215 511 A C 2.447 180.071 177.584 0.067 0.000 1.186 511 A CA 1.976 54.065 52.037 0.087 0.000 0.616 511 A CB -0.856 18.168 19.000 0.040 0.000 0.823 511 A HN 0.429 nan 8.150 nan 0.000 0.442 512 E N -0.306 119.903 120.200 0.015 0.000 2.058 512 E HA 0.095 4.460 4.350 0.025 0.000 0.194 512 E C 1.402 177.964 176.600 -0.064 0.000 0.997 512 E CA 1.366 57.755 56.400 -0.018 0.000 0.801 512 E CB -1.837 27.844 29.700 -0.032 0.000 0.746 512 E HN 1.517 nan 8.360 nan 0.000 0.450 513 I N 2.431 122.920 120.570 -0.135 0.000 2.872 513 I HA 0.261 4.446 4.170 0.025 0.000 0.287 513 I C -1.671 174.193 176.117 -0.421 0.000 1.197 513 I CA -0.894 60.191 61.300 -0.357 0.000 1.390 513 I CB -0.432 37.183 38.000 -0.641 0.000 1.400 513 I HN 0.220 nan 8.210 nan 0.000 0.544 514 P HA 0.181 nan 4.420 nan 0.000 0.252 514 P C -0.125 177.095 177.300 -0.134 0.000 1.727 514 P CA 0.093 63.123 63.100 -0.117 0.000 1.134 514 P CB -0.251 31.415 31.700 -0.057 0.000 1.876 515 Y N 1.550 121.861 120.300 0.019 0.000 2.365 515 Y HA -0.241 4.323 4.550 0.025 0.000 0.287 515 Y C 2.749 178.657 175.900 0.014 0.000 1.162 515 Y CA 2.059 60.170 58.100 0.018 0.000 1.260 515 Y CB -1.145 37.321 38.460 0.010 0.000 0.976 515 Y HN 0.294 nan 8.280 nan 0.000 0.548 516 E N 0.797 121.074 120.200 0.128 0.000 2.427 516 E HA -0.033 4.332 4.350 0.025 0.000 0.196 516 E C 1.966 178.595 176.600 0.048 0.000 1.028 516 E CA 1.275 57.722 56.400 0.078 0.000 0.864 516 E CB -0.823 28.914 29.700 0.061 0.000 0.813 516 E HN 0.605 nan 8.360 nan 0.000 0.514 517 K N -0.039 120.383 120.400 0.036 0.000 2.211 517 K HA 0.463 4.798 4.320 0.025 0.000 0.201 517 K C 1.307 177.934 176.600 0.046 0.000 1.052 517 K CA 0.721 57.026 56.287 0.029 0.000 0.973 517 K CB -0.120 32.389 32.500 0.014 0.000 0.766 517 K HN 0.424 nan 8.250 nan 0.000 0.466 518 L N 0.457 121.710 121.223 0.051 0.000 2.376 518 L HA 0.341 4.696 4.340 0.025 0.000 0.267 518 L C 0.065 176.953 176.870 0.030 0.000 1.035 518 L CA -1.307 53.589 54.840 0.093 0.000 0.800 518 L CB 1.007 43.146 42.059 0.133 0.000 1.290 518 L HN 0.246 nan 8.230 nan 0.000 0.462 519 N N 0.001 118.664 118.700 -0.061 0.000 2.353 519 N HA -0.067 4.688 4.740 0.025 0.000 0.248 519 N C 0.878 176.292 175.510 -0.160 0.000 1.240 519 N CA 0.197 53.080 53.050 -0.278 0.000 0.862 519 N CB 1.141 39.124 38.487 -0.839 0.000 1.086 519 N HN 0.421 nan 8.380 nan 0.000 0.453 520 V N 4.311 124.145 119.914 -0.134 0.000 2.428 520 V HA -0.374 3.761 4.120 0.025 0.000 0.255 520 V C 2.328 178.388 176.094 -0.056 0.000 1.080 520 V CA 2.524 64.784 62.300 -0.067 0.000 1.083 520 V CB -0.779 30.999 31.823 -0.074 0.000 0.665 520 V HN 0.865 nan 8.190 nan 0.000 0.461 521 K N 0.668 120.990 120.400 -0.130 0.000 2.059 521 K HA -0.250 4.085 4.320 0.025 0.000 0.212 521 K C 2.180 178.795 176.600 0.026 0.000 1.050 521 K CA 2.657 58.895 56.287 -0.083 0.000 0.927 521 K CB -1.088 31.304 32.500 -0.180 0.000 0.714 521 K HN 0.418 nan 8.250 nan 0.000 0.447 522 L N 1.764 123.039 121.223 0.086 0.000 2.042 522 L HA -0.028 4.327 4.340 0.025 0.000 0.210 522 L C 3.395 180.407 176.870 0.236 0.000 1.076 522 L CA 2.662 57.651 54.840 0.248 0.000 0.749 522 L CB -2.064 40.198 42.059 0.337 0.000 0.893 522 L HN 0.474 nan 8.230 nan 0.000 0.432 523 L N -0.343 120.969 121.223 0.149 0.000 2.042 523 L HA 0.109 4.464 4.340 0.025 0.000 0.210 523 L C 2.943 179.751 176.870 -0.104 0.000 1.076 523 L CA 2.980 57.769 54.840 -0.086 0.000 0.749 523 L CB -2.154 39.888 42.059 -0.028 0.000 0.893 523 L HN 0.628 nan 8.230 nan 0.000 0.432 524 G N -1.554 107.232 108.800 -0.023 0.000 2.402 524 G HA2 -0.166 3.809 3.960 0.025 0.000 0.216 524 G HA3 -0.166 3.809 3.960 0.025 0.000 0.216 524 G C 1.689 176.598 174.900 0.015 0.000 1.162 524 G CA 1.331 46.426 45.100 -0.008 0.000 0.777 524 G HN 0.486 nan 8.290 nan 0.000 0.539 525 T N 1.603 116.189 114.554 0.053 0.000 2.668 525 T HA 0.084 4.448 4.350 0.025 0.000 0.262 525 T C 2.862 177.591 174.700 0.048 0.000 1.045 525 T CA 1.557 63.717 62.100 0.100 0.000 1.152 525 T CB -0.578 68.389 68.868 0.165 0.000 0.864 525 T HN 0.352 nan 8.240 nan 0.000 0.419 526 A N 1.700 124.523 122.820 0.005 0.000 1.894 526 A HA -0.184 4.151 4.320 0.025 0.000 0.220 526 A C 2.315 179.819 177.584 -0.132 0.000 1.237 526 A CA 1.951 53.928 52.037 -0.101 0.000 0.660 526 A CB -1.245 17.477 19.000 -0.463 0.000 0.835 526 A HN 0.510 nan 8.150 nan 0.000 0.461 527 L N -1.383 119.744 121.223 -0.160 0.000 2.046 527 L HA -0.216 4.139 4.340 0.025 0.000 0.208 527 L C 2.714 179.568 176.870 -0.027 0.000 1.077 527 L CA 1.946 56.724 54.840 -0.103 0.000 0.747 527 L CB -0.637 41.364 42.059 -0.098 0.000 0.896 527 L HN 0.616 nan 8.230 nan 0.000 0.432 528 E N -0.190 120.013 120.200 0.005 0.000 2.106 528 E HA -0.184 4.181 4.350 0.025 0.000 0.192 528 E C 1.984 178.629 176.600 0.074 0.000 0.984 528 E CA 1.601 58.029 56.400 0.047 0.000 0.806 528 E CB 0.145 29.888 29.700 0.071 0.000 0.750 528 E HN 0.381 nan 8.360 nan 0.000 0.458 529 T N 0.767 115.364 114.554 0.073 0.000 2.867 529 T HA -0.093 4.272 4.350 0.025 0.000 0.268 529 T C 1.736 176.516 174.700 0.134 0.000 1.057 529 T CA 0.816 62.983 62.100 0.112 0.000 1.136 529 T CB -0.026 68.871 68.868 0.049 0.000 0.874 529 T HN 0.188 nan 8.240 nan 0.000 0.466 530 M N 0.751 120.370 119.600 0.031 0.000 2.200 530 M HA 0.011 4.506 4.480 0.025 0.000 0.265 530 M C 2.710 179.087 176.300 0.127 0.000 1.066 530 M CA 1.257 56.575 55.300 0.030 0.000 1.127 530 M CB -0.845 31.736 32.600 -0.031 0.000 1.379 530 M HN 0.402 nan 8.290 nan 0.000 0.420 531 G N -0.745 108.112 108.800 0.095 0.000 2.446 531 G HA2 -0.238 3.737 3.960 0.025 0.000 0.217 531 G HA3 -0.238 3.737 3.960 0.025 0.000 0.217 531 G C 1.571 176.542 174.900 0.119 0.000 1.168 531 G CA 1.273 46.428 45.100 0.090 0.000 0.771 531 G HN 0.472 nan 8.290 nan 0.000 0.551 532 S N -0.525 115.261 115.700 0.143 0.000 2.419 532 S HA -0.095 4.390 4.470 0.025 0.000 0.235 532 S C 1.716 176.361 174.600 0.075 0.000 1.019 532 S CA 0.794 59.050 58.200 0.093 0.000 0.982 532 S CB -0.342 62.906 63.200 0.079 0.000 0.789 532 S HN 0.435 nan 8.310 nan 0.000 0.490 533 Y N 0.559 120.886 120.300 0.044 0.000 2.496 533 Y HA 0.216 4.781 4.550 0.025 0.000 0.313 533 Y C 2.150 178.135 175.900 0.143 0.000 1.184 533 Y CA -0.741 57.418 58.100 0.099 0.000 1.275 533 Y CB -1.188 37.321 38.460 0.081 0.000 1.103 533 Y HN 0.413 nan 8.280 nan 0.000 0.513 534 C N 0.756 120.171 119.300 0.191 0.000 2.376 534 C HA -0.285 4.190 4.460 0.025 0.000 0.275 534 C C 2.498 177.566 174.990 0.130 0.000 1.200 534 C CA 2.115 61.215 59.018 0.137 0.000 1.756 534 C CB -0.822 26.968 27.740 0.083 0.000 2.050 534 C HN 0.647 nan 8.230 nan 0.000 0.460 535 N N -0.398 118.366 118.700 0.106 0.000 2.043 535 N HA -0.214 4.541 4.740 0.025 0.000 0.193 535 N C 1.479 177.061 175.510 0.121 0.000 1.037 535 N CA 1.958 55.056 53.050 0.081 0.000 0.851 535 N CB -1.114 37.401 38.487 0.045 0.000 1.027 535 N HN 0.880 nan 8.380 nan 0.000 0.422 536 W N 2.382 123.703 121.300 0.035 0.000 2.341 536 W HA -0.033 4.642 4.660 0.024 0.000 0.283 536 W C 1.798 178.362 176.519 0.076 0.000 1.215 536 W CA 0.892 58.282 57.345 0.075 0.000 1.211 536 W CB -0.188 29.371 29.460 0.165 0.000 1.131 536 W HN 0.009 nan 8.180 nan 0.000 0.552 537 L N -0.265 121.063 121.223 0.175 0.000 2.156 537 L HA -0.080 4.275 4.340 0.025 0.000 0.208 537 L C 2.233 179.023 176.870 -0.133 0.000 1.095 537 L CA 0.819 55.668 54.840 0.016 0.000 0.770 537 L CB -1.780 40.345 42.059 0.110 0.000 0.914 537 L HN 0.076 nan 8.230 nan 0.000 0.439 544 I N 1.275 121.826 120.570 -0.032 0.000 2.406 544 I HA -0.102 4.083 4.170 0.025 0.000 0.249 544 I C -0.192 175.789 176.117 -0.226 0.000 1.122 544 I CA 1.090 62.310 61.300 -0.133 0.000 1.431 544 I CB -0.529 37.341 38.000 -0.217 0.000 1.087 544 I HN 0.330 nan 8.210 nan 0.000 0.424 545 P HA -0.147 nan 4.420 nan 0.000 0.215 545 P C -1.370 175.900 177.300 -0.050 0.000 1.157 545 P CA 2.086 65.117 63.100 -0.114 0.000 0.868 545 P CB -1.452 30.306 31.700 0.097 0.000 0.788 546 P HA -0.031 nan 4.420 nan 0.000 0.222 546 P C 1.624 178.913 177.300 -0.019 0.000 1.153 546 P CA 1.309 64.409 63.100 0.001 0.000 0.798 546 P CB -0.321 31.391 31.700 0.019 0.000 0.796 547 A N 0.485 123.284 122.820 -0.035 0.000 1.883 547 A HA -0.154 4.181 4.320 0.025 0.000 0.217 547 A C 2.554 180.108 177.584 -0.051 0.000 1.186 547 A CA 1.833 53.848 52.037 -0.037 0.000 0.624 547 A CB -1.743 17.238 19.000 -0.032 0.000 0.822 547 A HN 0.066 nan 8.150 nan 0.000 0.444 548 I N 0.581 121.103 120.570 -0.080 0.000 2.163 548 I HA -0.276 3.909 4.170 0.025 0.000 0.243 548 I C 3.090 179.189 176.117 -0.030 0.000 1.085 548 I CA 1.826 63.086 61.300 -0.066 0.000 1.347 548 I CB -2.368 35.572 38.000 -0.099 0.000 1.044 548 I HN 0.826 nan 8.210 nan 0.000 0.408 549 N N 0.141 118.830 118.700 -0.019 0.000 2.061 549 N HA -0.268 4.487 4.740 0.025 0.000 0.193 549 N C 1.866 177.370 175.510 -0.011 0.000 1.030 549 N CA 2.008 55.058 53.050 -0.000 0.000 0.856 549 N CB -0.740 37.755 38.487 0.013 0.000 1.023 549 N HN 0.437 nan 8.380 nan 0.000 0.424 550 L N 0.137 121.343 121.223 -0.028 0.000 2.005 550 L HA 0.108 4.463 4.340 0.025 0.000 0.207 550 L C 2.556 179.383 176.870 -0.071 0.000 1.072 550 L CA 1.260 56.063 54.840 -0.062 0.000 0.744 550 L CB -0.501 41.504 42.059 -0.089 0.000 0.895 550 L HN 0.524 nan 8.230 nan 0.000 0.433 551 L N -1.636 119.555 121.223 -0.053 0.000 1.970 551 L HA -0.269 4.086 4.340 0.025 0.000 0.212 551 L C 2.422 179.276 176.870 -0.026 0.000 1.071 551 L CA 1.573 56.389 54.840 -0.040 0.000 0.751 551 L CB -0.718 41.327 42.059 -0.023 0.000 0.889 551 L HN 0.111 nan 8.230 nan 0.000 0.432 552 V N 0.059 119.965 119.914 -0.014 0.000 2.380 552 V HA -0.362 3.773 4.120 0.025 0.000 0.251 552 V C 3.189 179.280 176.094 -0.005 0.000 1.063 552 V CA 2.521 64.820 62.300 -0.001 0.000 1.055 552 V CB -1.379 30.448 31.823 0.008 0.000 0.657 552 V HN 0.591 nan 8.190 nan 0.000 0.455 553 R N 0.681 121.173 120.500 -0.012 0.000 2.066 553 R HA -0.071 4.284 4.340 0.025 0.000 0.232 553 R C 2.488 178.774 176.300 -0.023 0.000 1.131 553 R CA 1.866 57.960 56.100 -0.010 0.000 0.955 553 R CB -1.973 28.323 30.300 -0.007 0.000 0.851 553 R HN 0.602 nan 8.270 nan 0.000 0.432 554 G N 0.362 109.132 108.800 -0.051 0.000 2.479 554 G HA2 0.070 4.045 3.960 0.025 0.000 0.220 554 G HA3 0.070 4.045 3.960 0.025 0.000 0.220 554 G C 1.836 176.718 174.900 -0.030 0.000 1.115 554 G CA 1.613 46.676 45.100 -0.061 0.000 0.757 554 G HN 0.911 nan 8.290 nan 0.000 0.560 555 L N 0.472 121.685 121.223 -0.016 0.000 2.109 555 L HA 0.146 4.501 4.340 0.025 0.000 0.207 555 L C 2.769 179.638 176.870 -0.002 0.000 1.086 555 L CA 2.347 57.184 54.840 -0.004 0.000 0.760 555 L CB -2.124 39.938 42.059 0.005 0.000 0.910 555 L HN 0.565 nan 8.230 nan 0.000 0.437 556 N N 0.379 119.078 118.700 -0.001 0.000 2.094 556 N HA 0.020 4.775 4.740 0.025 0.000 0.191 556 N C 1.678 177.188 175.510 0.000 0.000 1.023 556 N CA 2.256 55.307 53.050 0.002 0.000 0.857 556 N CB -0.757 37.733 38.487 0.006 0.000 1.013 556 N HN 1.187 nan 8.380 nan 0.000 0.426 557 S N -0.368 115.330 115.700 -0.003 0.000 2.625 557 S HA 0.470 4.955 4.470 0.025 0.000 0.262 557 S C 1.926 176.521 174.600 -0.009 0.000 1.223 557 S CA 0.588 58.786 58.200 -0.004 0.000 0.993 557 S CB -0.036 63.163 63.200 -0.002 0.000 1.051 557 S HN 1.066 nan 8.310 nan 0.000 0.562 558 S N -0.222 115.471 115.700 -0.011 0.000 2.359 558 S HA -0.109 4.375 4.470 0.025 0.000 0.224 558 S C 1.012 175.604 174.600 -0.013 0.000 1.035 558 S CA 1.582 59.773 58.200 -0.014 0.000 1.018 558 S CB -0.639 62.549 63.200 -0.020 0.000 0.876 558 S HN 0.601 nan 8.310 nan 0.000 0.448 559 M N 3.239 122.830 119.600 -0.014 0.000 3.436 559 M HA 0.184 4.679 4.480 0.025 0.000 0.240 559 M C 1.493 177.787 176.300 -0.010 0.000 1.469 559 M CA -0.055 55.238 55.300 -0.012 0.000 1.622 559 M CB -0.034 32.558 32.600 -0.014 0.000 1.098 559 M HN 0.633 nan 8.290 nan 0.000 0.568 560 S N 0.994 116.691 115.700 -0.005 0.000 2.345 560 S HA -0.103 4.382 4.470 0.025 0.000 0.219 560 S C 2.098 176.703 174.600 0.007 0.000 1.031 560 S CA 0.877 59.078 58.200 0.001 0.000 0.984 560 S CB -0.261 62.942 63.200 0.004 0.000 0.874 560 S HN 0.649 nan 8.310 nan 0.000 0.451 561 A N 1.697 124.523 122.820 0.010 0.000 1.927 561 A HA -0.171 4.164 4.320 0.025 0.000 0.220 561 A C 2.665 180.257 177.584 0.014 0.000 1.185 561 A CA 3.183 55.229 52.037 0.015 0.000 0.639 561 A CB -1.931 17.078 19.000 0.014 0.000 0.820 561 A HN 0.963 nan 8.150 nan 0.000 0.451 562 Q N -1.240 118.566 119.800 0.010 0.000 2.030 562 Q HA 0.029 4.384 4.340 0.025 0.000 0.204 562 Q C 2.539 178.543 176.000 0.005 0.000 0.986 562 Q CA 2.880 58.689 55.803 0.010 0.000 0.843 562 Q CB -1.423 27.318 28.738 0.005 0.000 0.904 562 Q HN 1.354 nan 8.270 nan 0.000 0.420 563 A N 0.330 123.147 122.820 -0.004 0.000 1.972 563 A HA -0.121 4.214 4.320 0.025 0.000 0.219 563 A C 2.533 180.124 177.584 0.013 0.000 1.169 563 A CA 2.243 54.276 52.037 -0.006 0.000 0.635 563 A CB -0.938 18.053 19.000 -0.014 0.000 0.810 563 A HN 0.593 nan 8.150 nan 0.000 0.446 564 T N 0.038 114.605 114.554 0.021 0.000 2.622 564 T HA -0.159 4.206 4.350 0.025 0.000 0.266 564 T C 2.302 177.026 174.700 0.039 0.000 1.047 564 T CA 2.567 64.689 62.100 0.036 0.000 1.159 564 T CB -1.158 67.732 68.868 0.036 0.000 0.863 564 T HN 0.669 nan 8.240 nan 0.000 0.422 565 L N 1.459 122.697 121.223 0.025 0.000 2.013 565 L HA 0.088 4.443 4.340 0.025 0.000 0.212 565 L C 3.010 179.898 176.870 0.030 0.000 1.073 565 L CA 2.743 57.594 54.840 0.018 0.000 0.753 565 L CB -2.175 39.892 42.059 0.013 0.000 0.890 565 L HN 0.544 nan 8.230 nan 0.000 0.432 566 G N -0.792 108.025 108.800 0.029 0.000 2.446 566 G HA2 -0.041 3.934 3.960 0.025 0.000 0.217 566 G HA3 -0.041 3.934 3.960 0.025 0.000 0.217 566 G C 1.799 176.725 174.900 0.043 0.000 1.168 566 G CA 2.656 47.776 45.100 0.033 0.000 0.771 566 G HN 1.248 nan 8.290 nan 0.000 0.551 567 L N 0.704 121.953 121.223 0.044 0.000 1.976 567 L HA 0.039 4.393 4.340 0.025 0.000 0.209 567 L C 2.849 179.778 176.870 0.098 0.000 1.071 567 L CA 3.162 58.036 54.840 0.056 0.000 0.746 567 L CB -1.795 40.296 42.059 0.055 0.000 0.890 567 L HN 0.419 nan 8.230 nan 0.000 0.432 568 K N -0.118 120.363 120.400 0.135 0.000 2.113 568 K HA -0.216 4.118 4.320 0.025 0.000 0.208 568 K C 2.504 179.225 176.600 0.203 0.000 1.047 568 K CA 2.933 59.367 56.287 0.244 0.000 0.928 568 K CB -0.901 31.689 32.500 0.150 0.000 0.716 568 K HN 1.012 nan 8.250 nan 0.000 0.446 569 E N 0.529 120.790 120.200 0.103 0.000 2.031 569 E HA -0.065 4.300 4.350 0.025 0.000 0.193 569 E C 2.064 178.719 176.600 0.093 0.000 0.994 569 E CA 1.549 57.998 56.400 0.081 0.000 0.800 569 E CB -0.863 28.869 29.700 0.054 0.000 0.752 569 E HN 0.366 nan 8.360 nan 0.000 0.447 570 L N 0.460 121.730 121.223 0.079 0.000 2.013 570 L HA -0.185 4.170 4.340 0.025 0.000 0.212 570 L C 2.748 179.654 176.870 0.061 0.000 1.073 570 L CA 2.187 57.062 54.840 0.059 0.000 0.753 570 L CB -0.630 41.450 42.059 0.035 0.000 0.890 570 L HN 0.616 nan 8.230 nan 0.000 0.432 571 C N -1.160 118.188 119.300 0.081 0.000 2.413 571 C HA -0.183 4.292 4.460 0.025 0.000 0.276 571 C C 2.898 177.932 174.990 0.073 0.000 1.248 571 C CA 1.107 60.160 59.018 0.057 0.000 1.742 571 C CB -1.138 26.626 27.740 0.039 0.000 2.017 571 C HN 0.552 nan 8.230 nan 0.000 0.481 572 R N 0.929 121.528 120.500 0.166 0.000 2.115 572 R HA -0.120 4.235 4.340 0.025 0.000 0.230 572 R C 1.240 177.596 176.300 0.093 0.000 1.111 572 R CA 1.908 58.112 56.100 0.175 0.000 0.976 572 R CB -0.295 30.154 30.300 0.249 0.000 0.870 572 R HN 0.561 nan 8.270 nan 0.000 0.445 573 D N -0.450 119.993 120.400 0.072 0.000 2.338 573 D HA 0.019 4.674 4.640 0.025 0.000 0.208 573 D C 0.688 177.006 176.300 0.031 0.000 0.997 573 D CA 0.524 54.552 54.000 0.046 0.000 0.880 573 D CB 0.492 41.318 40.800 0.042 0.000 0.980 573 D HN 0.373 nan 8.370 nan 0.000 0.509 574 C N 1.324 120.642 119.300 0.030 0.000 3.401 574 C HA 0.455 4.930 4.460 0.025 0.000 0.204 574 C C 1.543 176.544 174.990 0.018 0.000 1.522 574 C CA -0.912 58.116 59.018 0.018 0.000 1.409 574 C CB -0.178 27.568 27.740 0.010 0.000 1.967 574 C HN 0.033 nan 8.230 nan 0.000 0.496 575 Q N 1.066 120.877 119.800 0.018 0.000 1.965 575 Q HA -0.137 4.218 4.340 0.025 0.000 0.200 575 Q C 2.214 178.229 176.000 0.025 0.000 0.981 575 Q CA 1.415 57.227 55.803 0.014 0.000 0.834 575 Q CB -0.114 28.624 28.738 0.001 0.000 0.900 575 Q HN 0.805 nan 8.270 nan 0.000 0.426 576 L N 1.081 122.316 121.223 0.020 0.000 2.034 576 L HA -0.373 3.982 4.340 0.025 0.000 0.217 576 L C 2.735 179.632 176.870 0.045 0.000 1.077 576 L CA 2.558 57.413 54.840 0.024 0.000 0.769 576 L CB -0.745 41.322 42.059 0.014 0.000 0.890 576 L HN 0.436 nan 8.230 nan 0.000 0.435 577 Q N -0.116 119.712 119.800 0.047 0.000 2.226 577 Q HA -0.145 4.210 4.340 0.025 0.000 0.204 577 Q C 1.965 178.064 176.000 0.164 0.000 0.975 577 Q CA 1.985 57.834 55.803 0.076 0.000 0.866 577 Q CB -0.975 27.784 28.738 0.034 0.000 0.915 577 Q HN 0.776 nan 8.270 nan 0.000 0.440 578 L N -0.463 120.842 121.223 0.137 0.000 2.592 578 L HA 0.103 4.458 4.340 0.025 0.000 0.227 578 L C 3.058 180.093 176.870 0.276 0.000 1.127 578 L CA 0.580 55.560 54.840 0.234 0.000 0.884 578 L CB -0.301 41.804 42.059 0.078 0.000 1.065 578 L HN 0.478 nan 8.230 nan 0.000 0.457 579 K N 1.169 121.657 120.400 0.147 0.000 2.059 579 K HA -0.189 4.146 4.320 0.025 0.000 0.212 579 K C 0.012 176.631 176.600 0.031 0.000 1.050 579 K CA 2.112 58.441 56.287 0.070 0.000 0.927 579 K CB -2.355 30.163 32.500 0.031 0.000 0.714 579 K HN 0.272 nan 8.250 nan 0.000 0.447 580 P HA -0.128 nan 4.420 nan 0.000 0.216 580 P C 0.640 177.751 177.300 -0.314 0.000 1.150 580 P CA 1.101 64.037 63.100 -0.273 0.000 0.837 580 P CB -0.103 31.281 31.700 -0.527 0.000 0.786 581 Y N -1.877 118.422 120.300 -0.002 0.000 2.466 581 Y HA 0.389 4.954 4.550 0.025 0.000 0.272 581 Y C 2.218 178.117 175.900 -0.001 0.000 1.169 581 Y CA -0.124 57.977 58.100 0.001 0.000 1.285 581 Y CB -1.407 37.056 38.460 0.004 0.000 1.078 581 Y HN -0.112 nan 8.280 nan 0.000 0.523 582 A N 0.686 123.583 122.820 0.130 0.000 1.902 582 A HA -0.208 4.127 4.320 0.025 0.000 0.217 582 A C 1.739 179.349 177.584 0.044 0.000 1.181 582 A CA 2.190 54.270 52.037 0.072 0.000 0.623 582 A CB -0.628 18.397 19.000 0.042 0.000 0.818 582 A HN 0.345 nan 8.150 nan 0.000 0.443 583 D N -0.114 120.301 120.400 0.025 0.000 2.104 583 D HA -0.087 4.568 4.640 0.025 0.000 0.194 583 D C -0.384 175.931 176.300 0.025 0.000 0.994 583 D CA 1.730 55.737 54.000 0.013 0.000 0.830 583 D CB -1.691 39.106 40.800 -0.005 0.000 0.959 583 D HN 0.343 nan 8.370 nan 0.000 0.452 584 P HA -0.080 nan 4.420 nan 0.000 0.212 584 P C 2.170 179.504 177.300 0.057 0.000 1.180 584 P CA 1.679 64.811 63.100 0.053 0.000 0.902 584 P CB -0.309 31.441 31.700 0.083 0.000 0.778 585 L N -0.022 121.246 121.223 0.075 0.000 1.963 585 L HA -0.219 4.136 4.340 0.025 0.000 0.220 585 L C 2.924 179.816 176.870 0.037 0.000 1.076 585 L CA 3.806 58.679 54.840 0.055 0.000 0.772 585 L CB -2.597 39.496 42.059 0.056 0.000 0.892 585 L HN 0.089 nan 8.230 nan 0.000 0.435 586 L N -0.421 120.821 121.223 0.032 0.000 2.054 586 L HA -0.383 3.972 4.340 0.025 0.000 0.220 586 L C 2.527 179.410 176.870 0.021 0.000 1.081 586 L CA 3.247 58.099 54.840 0.020 0.000 0.780 586 L CB -2.030 40.037 42.059 0.014 0.000 0.893 586 L HN 0.801 nan 8.230 nan 0.000 0.438 587 N N -0.440 118.274 118.700 0.023 0.000 2.300 587 N HA 0.036 4.791 4.740 0.025 0.000 0.179 587 N C 2.156 177.680 175.510 0.024 0.000 1.016 587 N CA 1.528 54.591 53.050 0.021 0.000 0.876 587 N CB -0.238 38.260 38.487 0.019 0.000 0.979 587 N HN 0.698 nan 8.380 nan 0.000 0.432 588 A N 0.710 123.547 122.820 0.028 0.000 1.969 588 A HA -0.091 4.244 4.320 0.025 0.000 0.218 588 A C 2.546 180.146 177.584 0.027 0.000 1.169 588 A CA 0.933 52.987 52.037 0.027 0.000 0.635 588 A CB -0.737 18.281 19.000 0.031 0.000 0.810 588 A HN 0.402 nan 8.150 nan 0.000 0.445 589 C N -1.518 117.799 119.300 0.028 0.000 2.476 589 C HA 0.058 4.533 4.460 0.025 0.000 0.278 589 C C 3.021 178.031 174.990 0.032 0.000 1.274 589 C CA 1.241 60.277 59.018 0.030 0.000 1.713 589 C CB -1.877 25.881 27.740 0.030 0.000 2.039 589 C HN 0.856 nan 8.230 nan 0.000 0.484 590 H N 0.188 119.275 119.070 0.029 0.000 2.390 590 H HA 0.082 4.653 4.556 0.025 0.000 0.298 590 H C 2.323 177.670 175.328 0.031 0.000 1.106 590 H CA 2.483 58.550 56.048 0.031 0.000 1.297 590 H CB -0.780 28.997 29.762 0.025 0.000 1.375 590 H HN 0.626 nan 8.280 nan 0.000 0.509 591 A N 0.537 123.373 122.820 0.027 0.000 1.872 591 A HA 0.154 4.489 4.320 0.025 0.000 0.214 591 A C 3.087 180.685 177.584 0.024 0.000 1.187 591 A CA 2.449 54.500 52.037 0.023 0.000 0.614 591 A CB -1.345 17.668 19.000 0.020 0.000 0.826 591 A HN 1.057 nan 8.150 nan 0.000 0.442 592 S N -0.426 115.289 115.700 0.025 0.000 2.402 592 S HA 0.067 4.551 4.470 0.025 0.000 0.233 592 S C 2.108 176.725 174.600 0.029 0.000 1.030 592 S CA 2.456 60.670 58.200 0.024 0.000 1.003 592 S CB -1.104 62.111 63.200 0.025 0.000 0.813 592 S HN 1.242 nan 8.310 nan 0.000 0.477 593 L N 1.276 122.523 121.223 0.040 0.000 2.109 593 L HA 0.013 4.368 4.340 0.025 0.000 0.207 593 L C 2.276 179.170 176.870 0.041 0.000 1.086 593 L CA 2.522 57.395 54.840 0.055 0.000 0.760 593 L CB -2.236 39.871 42.059 0.080 0.000 0.910 593 L HN 0.790 nan 8.230 nan 0.000 0.437 594 N N 0.391 119.111 118.700 0.033 0.000 2.049 594 N HA -0.127 4.628 4.740 0.025 0.000 0.198 594 N C 1.150 176.666 175.510 0.009 0.000 1.030 594 N CA 2.084 55.148 53.050 0.024 0.000 0.870 594 N CB -0.730 37.769 38.487 0.020 0.000 1.045 594 N HN 0.746 nan 8.380 nan 0.000 0.434 595 T N -1.721 112.836 114.554 0.005 0.000 2.946 595 T HA 0.311 4.676 4.350 0.025 0.000 0.311 595 T C 1.110 175.800 174.700 -0.017 0.000 1.063 595 T CA 0.037 62.134 62.100 -0.005 0.000 1.139 595 T CB 0.088 68.954 68.868 -0.004 0.000 0.994 595 T HN 0.430 nan 8.240 nan 0.000 0.547 596 G N 0.696 109.478 108.800 -0.030 0.000 2.744 596 G HA2 0.234 4.209 3.960 0.025 0.000 0.211 596 G HA3 0.234 4.209 3.960 0.025 0.000 0.211 596 G C 1.841 176.706 174.900 -0.057 0.000 1.143 596 G CA 1.161 46.227 45.100 -0.057 0.000 0.788 596 G HN 1.058 nan 8.290 nan 0.000 0.534 597 R N -0.427 120.052 120.500 -0.036 0.000 2.103 597 R HA 0.267 4.622 4.340 0.025 0.000 0.242 597 R C 1.916 178.198 176.300 -0.031 0.000 1.142 597 R CA 1.911 57.993 56.100 -0.030 0.000 0.960 597 R CB -1.556 28.733 30.300 -0.018 0.000 0.858 597 R HN 0.721 nan 8.270 nan 0.000 0.439 598 M N 1.170 120.755 119.600 -0.025 0.000 2.245 598 M HA 0.586 5.081 4.480 0.025 0.000 0.344 598 M C 0.861 177.138 176.300 -0.038 0.000 1.170 598 M CA -0.161 55.129 55.300 -0.016 0.000 1.135 598 M CB -1.086 31.517 32.600 0.006 0.000 1.574 598 M HN 0.936 nan 8.290 nan 0.000 0.452 599 K N 2.885 123.270 120.400 -0.025 0.000 2.339 599 K HA 0.402 4.737 4.320 0.025 0.000 0.286 599 K C 0.721 177.304 176.600 -0.028 0.000 1.050 599 K CA -0.024 56.239 56.287 -0.039 0.000 0.956 599 K CB -0.470 32.021 32.500 -0.016 0.000 0.990 599 K HN 1.223 nan 8.250 nan 0.000 0.475 600 N N 1.729 120.360 118.700 -0.115 0.000 2.061 600 N HA -0.309 4.446 4.740 0.025 0.000 0.193 600 N C 1.774 177.396 175.510 0.187 0.000 1.030 600 N CA 2.497 55.487 53.050 -0.100 0.000 0.856 600 N CB -1.025 37.158 38.487 -0.507 0.000 1.023 600 N HN 0.759 nan 8.380 nan 0.000 0.424 601 S N 0.004 115.760 115.700 0.093 0.000 2.368 601 S HA -0.257 4.228 4.470 0.025 0.000 0.226 601 S C 2.042 176.697 174.600 0.092 0.000 1.044 601 S CA 2.373 60.631 58.200 0.096 0.000 1.062 601 S CB -1.683 61.545 63.200 0.048 0.000 0.931 601 S HN 0.650 nan 8.310 nan 0.000 0.440 602 D N 1.238 121.679 120.400 0.069 0.000 2.123 602 D HA 0.157 4.812 4.640 0.025 0.000 0.200 602 D C 2.437 178.791 176.300 0.089 0.000 0.976 602 D CA 1.954 55.990 54.000 0.061 0.000 0.831 602 D CB -1.454 39.369 40.800 0.038 0.000 0.974 602 D HN 0.787 nan 8.370 nan 0.000 0.469 603 S N -0.100 115.674 115.700 0.123 0.000 2.440 603 S HA 0.029 4.514 4.470 0.025 0.000 0.240 603 S C 2.299 176.999 174.600 0.167 0.000 1.014 603 S CA 1.677 59.976 58.200 0.164 0.000 0.980 603 S CB -0.593 62.752 63.200 0.242 0.000 0.775 603 S HN 0.414 nan 8.310 nan 0.000 0.499 604 V N 1.209 121.220 119.914 0.160 0.000 2.358 604 V HA -0.198 3.937 4.120 0.025 0.000 0.246 604 V C 2.529 178.675 176.094 0.086 0.000 1.047 604 V CA 1.787 64.137 62.300 0.084 0.000 1.035 604 V CB -0.584 31.278 31.823 0.065 0.000 0.658 604 V HN 0.574 nan 8.190 nan 0.000 0.452 605 R N 0.014 120.567 120.500 0.089 0.000 2.115 605 R HA -0.085 4.270 4.340 0.025 0.000 0.230 605 R C 2.380 178.781 176.300 0.168 0.000 1.111 605 R CA 1.576 57.741 56.100 0.109 0.000 0.976 605 R CB -0.768 29.564 30.300 0.053 0.000 0.870 605 R HN 0.521 nan 8.270 nan 0.000 0.445 606 L N 0.018 121.313 121.223 0.119 0.000 2.131 606 L HA -0.039 4.316 4.340 0.025 0.000 0.210 606 L C 2.441 179.366 176.870 0.092 0.000 1.092 606 L CA 1.993 56.895 54.840 0.103 0.000 0.759 606 L CB -1.030 41.077 42.059 0.081 0.000 0.903 606 L HN 0.203 nan 8.230 nan 0.000 0.435 607 M N -1.186 118.466 119.600 0.086 0.000 2.213 607 M HA -0.061 4.434 4.480 0.025 0.000 0.263 607 M C 2.047 178.383 176.300 0.060 0.000 1.062 607 M CA 1.685 57.012 55.300 0.044 0.000 1.105 607 M CB -0.753 31.848 32.600 0.002 0.000 1.385 607 M HN 0.579 nan 8.290 nan 0.000 0.417 608 F N 0.211 120.156 119.950 -0.008 0.000 2.075 608 F HA -0.073 4.469 4.527 0.025 0.000 0.297 608 F C 2.370 178.174 175.800 0.006 0.000 1.113 608 F CA 2.286 60.283 58.000 -0.004 0.000 1.218 608 F CB -1.033 37.964 39.000 -0.006 0.000 0.984 608 F HN 0.293 nan 8.300 nan 0.000 0.472 609 S N 1.124 116.834 115.700 0.016 0.000 2.383 609 S HA -0.173 4.312 4.470 0.025 0.000 0.229 609 S C 2.093 176.621 174.600 -0.119 0.000 1.030 609 S CA 1.961 60.121 58.200 -0.067 0.000 1.002 609 S CB -1.127 62.119 63.200 0.078 0.000 0.829 609 S HN 0.486 nan 8.310 nan 0.000 0.467 610 I N 1.183 121.715 120.570 -0.064 0.000 2.076 610 I HA -0.172 4.013 4.170 0.025 0.000 0.237 610 I C 2.908 178.970 176.117 -0.091 0.000 1.059 610 I CA 1.153 62.422 61.300 -0.050 0.000 1.317 610 I CB -0.948 37.041 38.000 -0.018 0.000 1.037 610 I HN 0.406 nan 8.210 nan 0.000 0.398 611 G N 1.073 109.803 108.800 -0.116 0.000 2.503 611 G HA2 -0.264 3.711 3.960 0.025 0.000 0.221 611 G HA3 -0.264 3.711 3.960 0.025 0.000 0.221 611 G C 1.714 176.513 174.900 -0.169 0.000 1.131 611 G CA 0.830 45.859 45.100 -0.118 0.000 0.756 611 G HN 0.215 nan 8.290 nan 0.000 0.572 612 K N -0.039 120.184 120.400 -0.296 0.000 2.155 612 K HA 0.188 4.523 4.320 0.025 0.000 0.203 612 K C 2.495 179.013 176.600 -0.136 0.000 1.052 612 K CA 0.300 56.424 56.287 -0.271 0.000 0.948 612 K CB -0.367 31.875 32.500 -0.430 0.000 0.728 612 K HN 0.365 nan 8.250 nan 0.000 0.448 613 L N 0.282 121.442 121.223 -0.105 0.000 2.131 613 L HA -0.029 4.326 4.340 0.025 0.000 0.206 613 L C 2.455 179.307 176.870 -0.030 0.000 1.087 613 L CA 0.698 55.511 54.840 -0.045 0.000 0.767 613 L CB -0.288 41.757 42.059 -0.023 0.000 0.917 613 L HN 0.127 nan 8.230 nan 0.000 0.441 614 M N -0.517 119.060 119.600 -0.038 0.000 2.108 614 M HA -0.217 4.278 4.480 0.025 0.000 0.261 614 M C 2.762 179.050 176.300 -0.021 0.000 1.066 614 M CA 2.057 57.344 55.300 -0.022 0.000 1.107 614 M CB -0.866 31.723 32.600 -0.018 0.000 1.356 614 M HN 0.416 nan 8.290 nan 0.000 0.406 615 S N 1.034 116.714 115.700 -0.033 0.000 2.387 615 S HA -0.063 4.422 4.470 0.025 0.000 0.230 615 S C 1.931 176.520 174.600 -0.018 0.000 1.035 615 S CA 2.102 60.286 58.200 -0.027 0.000 1.014 615 S CB -1.316 61.861 63.200 -0.038 0.000 0.836 615 S HN 0.435 nan 8.310 nan 0.000 0.466 616 L N 0.945 122.159 121.223 -0.015 0.000 2.682 616 L HA 0.691 5.046 4.340 0.025 0.000 0.240 616 L C 0.737 177.605 176.870 -0.003 0.000 1.178 616 L CA 0.047 54.885 54.840 -0.005 0.000 0.970 616 L CB -1.366 40.697 42.059 0.006 0.000 1.179 616 L HN 0.504 nan 8.230 nan 0.000 0.435 617 L N -0.766 120.453 121.223 -0.007 0.000 2.400 617 L HA 0.570 4.925 4.340 0.025 0.000 0.264 617 L C 0.675 177.540 176.870 -0.009 0.000 1.061 617 L CA -0.874 53.962 54.840 -0.006 0.000 0.799 617 L CB 1.250 43.306 42.059 -0.006 0.000 1.240 617 L HN 0.385 nan 8.230 nan 0.000 0.461 618 R N 1.159 121.653 120.500 -0.010 0.000 2.560 618 R HA 0.180 4.535 4.340 0.025 0.000 0.270 618 R C -1.489 174.805 176.300 -0.010 0.000 1.074 618 R CA -1.471 54.622 56.100 -0.011 0.000 1.140 618 R CB 0.479 30.771 30.300 -0.013 0.000 1.073 618 R HN 0.411 nan 8.270 nan 0.000 0.527 619 P HA -0.273 nan 4.420 nan 0.000 0.214 619 P C 0.938 178.232 177.300 -0.010 0.000 1.169 619 P CA 1.579 64.673 63.100 -0.010 0.000 0.908 619 P CB 0.231 31.925 31.700 -0.010 0.000 0.791 620 E N 0.732 120.926 120.200 -0.010 0.000 2.065 620 E HA -0.238 4.127 4.350 0.025 0.000 0.201 620 E C 2.067 178.661 176.600 -0.009 0.000 1.016 620 E CA 1.999 58.394 56.400 -0.010 0.000 0.818 620 E CB -0.669 29.026 29.700 -0.010 0.000 0.749 620 E HN 0.369 nan 8.360 nan 0.000 0.453 621 E N -0.070 120.125 120.200 -0.008 0.000 2.208 621 E HA -0.103 4.262 4.350 0.025 0.000 0.193 621 E C 2.263 178.860 176.600 -0.006 0.000 0.988 621 E CA 0.885 57.281 56.400 -0.007 0.000 0.828 621 E CB -0.165 29.531 29.700 -0.007 0.000 0.763 621 E HN 0.391 nan 8.360 nan 0.000 0.478 622 I N 2.254 122.820 120.570 -0.006 0.000 2.039 622 I HA -0.264 3.920 4.170 0.025 0.000 0.233 622 I C -0.430 175.685 176.117 -0.004 0.000 1.040 622 I CA 1.408 62.705 61.300 -0.004 0.000 1.308 622 I CB -1.805 36.192 38.000 -0.004 0.000 1.035 622 I HN 0.107 nan 8.210 nan 0.000 0.392 623 P HA -0.247 nan 4.420 nan 0.000 0.216 623 P C 1.369 178.662 177.300 -0.012 0.000 1.153 623 P CA 2.163 65.257 63.100 -0.010 0.000 0.858 623 P CB -0.162 31.530 31.700 -0.013 0.000 0.789 624 K N 0.043 120.437 120.400 -0.011 0.000 2.097 624 K HA -0.226 4.109 4.320 0.025 0.000 0.206 624 K C 2.577 179.173 176.600 -0.007 0.000 1.049 624 K CA 2.135 58.416 56.287 -0.010 0.000 0.933 624 K CB -2.099 30.396 32.500 -0.008 0.000 0.717 624 K HN 0.209 nan 8.250 nan 0.000 0.442 625 Y N 0.387 120.685 120.300 -0.004 0.000 2.200 625 Y HA 0.165 4.730 4.550 0.025 0.000 0.290 625 Y C 2.955 178.855 175.900 0.001 0.000 1.137 625 Y CA 2.214 60.314 58.100 -0.000 0.000 1.163 625 Y CB -1.101 37.359 38.460 0.001 0.000 0.988 625 Y HN 0.243 nan 8.280 nan 0.000 0.518 626 L N 0.774 121.997 121.223 -0.001 0.000 2.017 626 L HA -0.026 4.329 4.340 0.025 0.000 0.208 626 L C 2.201 179.063 176.870 -0.013 0.000 1.073 626 L CA 3.318 58.159 54.840 0.002 0.000 0.745 626 L CB -2.142 39.922 42.059 0.008 0.000 0.894 626 L HN 0.708 nan 8.230 nan 0.000 0.432 627 D N -0.393 119.993 120.400 -0.023 0.000 2.104 627 D HA -0.004 4.650 4.640 0.025 0.000 0.194 627 D C 2.338 178.627 176.300 -0.018 0.000 0.994 627 D CA 3.293 57.272 54.000 -0.036 0.000 0.830 627 D CB -0.791 39.989 40.800 -0.033 0.000 0.959 627 D HN 1.152 nan 8.370 nan 0.000 0.452 628 I N -0.444 120.122 120.570 -0.006 0.000 2.454 628 I HA 0.245 4.430 4.170 0.025 0.000 0.254 628 I C 2.540 178.664 176.117 0.012 0.000 1.156 628 I CA 1.316 62.618 61.300 0.004 0.000 1.433 628 I CB -0.675 37.328 38.000 0.005 0.000 1.082 628 I HN 0.495 nan 8.210 nan 0.000 0.432 629 I N -1.306 119.271 120.570 0.011 0.000 4.057 629 I HA 0.030 4.215 4.170 0.025 0.000 0.334 629 I C 1.791 177.925 176.117 0.029 0.000 1.308 629 I CA 0.523 61.834 61.300 0.019 0.000 1.125 629 I CB 0.942 38.950 38.000 0.013 0.000 1.034 629 I HN 0.237 nan 8.210 nan 0.000 0.401 630 V N -0.755 119.177 119.914 0.031 0.000 3.219 630 V HA -0.079 4.056 4.120 0.025 0.000 0.240 630 V C 2.285 178.453 176.094 0.124 0.000 1.222 630 V CA 1.147 63.497 62.300 0.084 0.000 1.181 630 V CB 0.370 32.213 31.823 0.033 0.000 0.941 630 V HN 0.436 nan 8.190 nan 0.000 0.471 631 S N 1.957 117.658 115.700 0.002 0.000 2.368 631 S HA -0.203 4.282 4.470 0.025 0.000 0.226 631 S C -0.116 174.550 174.600 0.110 0.000 1.044 631 S CA 2.095 60.296 58.200 0.001 0.000 1.062 631 S CB -2.186 61.000 63.200 -0.024 0.000 0.931 631 S HN 0.478 nan 8.310 nan 0.000 0.440 632 P HA -0.033 nan 4.420 nan 0.000 0.216 632 P C 2.179 179.545 177.300 0.109 0.000 1.153 632 P CA 1.911 65.063 63.100 0.087 0.000 0.858 632 P CB -0.691 31.051 31.700 0.069 0.000 0.789 633 C N -1.691 117.688 119.300 0.132 0.000 2.413 633 C HA -0.165 4.310 4.460 0.025 0.000 0.276 633 C C 2.482 177.470 174.990 -0.003 0.000 1.236 633 C CA 1.113 60.156 59.018 0.041 0.000 1.735 633 C CB -2.051 25.670 27.740 -0.031 0.000 2.031 633 C HN 0.052 nan 8.230 nan 0.000 0.474 634 F N 1.821 121.729 119.950 -0.070 0.000 2.128 634 F HA -0.028 4.514 4.527 0.025 0.000 0.295 634 F C 2.698 178.467 175.800 -0.051 0.000 1.100 634 F CA 1.725 59.682 58.000 -0.073 0.000 1.260 634 F CB -0.923 38.050 39.000 -0.046 0.000 1.009 634 F HN 0.504 nan 8.300 nan 0.000 0.476 635 E N 0.588 120.896 120.200 0.179 0.000 2.085 635 E HA -0.298 4.066 4.350 0.025 0.000 0.194 635 E C 1.982 178.611 176.600 0.048 0.000 0.994 635 E CA 1.594 58.048 56.400 0.089 0.000 0.801 635 E CB -0.881 28.860 29.700 0.068 0.000 0.743 635 E HN 0.611 nan 8.360 nan 0.000 0.453 636 E N 1.404 121.630 120.200 0.044 0.000 2.049 636 E HA -0.265 4.100 4.350 0.025 0.000 0.198 636 E C 2.552 179.150 176.600 -0.004 0.000 1.007 636 E CA 1.946 58.360 56.400 0.024 0.000 0.809 636 E CB -0.348 29.375 29.700 0.038 0.000 0.749 636 E HN 0.372 nan 8.360 nan 0.000 0.450 637 L N 0.632 121.831 121.223 -0.040 0.000 2.012 637 L HA -0.231 4.123 4.340 0.025 0.000 0.210 637 L C 2.825 179.664 176.870 -0.051 0.000 1.073 637 L CA 3.229 58.018 54.840 -0.084 0.000 0.748 637 L CB -2.492 39.449 42.059 -0.197 0.000 0.891 637 L HN 0.554 nan 8.230 nan 0.000 0.431 638 Q N -0.815 118.973 119.800 -0.019 0.000 2.061 638 Q HA -0.092 4.263 4.340 0.025 0.000 0.204 638 Q C 2.669 178.670 176.000 0.001 0.000 0.984 638 Q CA 3.347 59.151 55.803 0.002 0.000 0.846 638 Q CB -1.447 27.311 28.738 0.033 0.000 0.902 638 Q HN 1.471 nan 8.270 nan 0.000 0.421 639 A N 0.386 123.209 122.820 0.005 0.000 1.873 639 A HA -0.102 4.233 4.320 0.025 0.000 0.218 639 A C 2.278 179.861 177.584 -0.002 0.000 1.193 639 A CA 1.964 54.004 52.037 0.005 0.000 0.629 639 A CB -0.511 18.493 19.000 0.008 0.000 0.826 639 A HN 0.607 nan 8.150 nan 0.000 0.447 640 I N 0.239 120.804 120.570 -0.008 0.000 2.335 640 I HA -0.283 3.902 4.170 0.025 0.000 0.251 640 I C 2.901 179.011 176.117 -0.012 0.000 1.129 640 I CA 0.899 62.192 61.300 -0.011 0.000 1.402 640 I CB -1.188 36.801 38.000 -0.019 0.000 1.069 640 I HN 0.601 nan 8.210 nan 0.000 0.424 641 C N 0.217 119.507 119.300 -0.016 0.000 2.401 641 C HA -0.196 4.279 4.460 0.025 0.000 0.286 641 C C 2.931 177.920 174.990 -0.003 0.000 1.332 641 C CA 2.214 61.225 59.018 -0.012 0.000 1.795 641 C CB -1.850 25.883 27.740 -0.011 0.000 1.922 641 C HN 0.586 nan 8.230 nan 0.000 0.520 642 Q N -0.716 119.083 119.800 -0.001 0.000 2.152 642 Q HA 0.320 4.674 4.340 0.025 0.000 0.206 642 Q C 1.518 177.518 176.000 0.001 0.000 0.985 642 Q CA 3.039 58.843 55.803 0.002 0.000 0.863 642 Q CB -1.165 27.574 28.738 0.002 0.000 0.904 642 Q HN 2.840 nan 8.270 nan 0.000 0.422 648 P HA 0.036 nan 4.420 nan 0.000 0.219 648 P C 1.185 178.484 177.300 -0.002 0.000 1.146 648 P CA 1.505 64.604 63.100 -0.001 0.000 0.808 648 P CB -0.171 31.528 31.700 -0.001 0.000 0.779 649 A N 0.193 123.010 122.820 -0.004 0.000 1.970 649 A HA 0.191 4.526 4.320 0.025 0.000 0.216 649 A C 2.435 180.016 177.584 -0.006 0.000 1.170 649 A CA 1.351 53.384 52.037 -0.007 0.000 0.645 649 A CB -1.138 17.856 19.000 -0.009 0.000 0.816 649 A HN 0.236 nan 8.150 nan 0.000 0.447 650 A N -0.182 122.635 122.820 -0.004 0.000 1.930 650 A HA 0.131 4.466 4.320 0.025 0.000 0.215 650 A C 2.438 180.021 177.584 -0.001 0.000 1.176 650 A CA 1.938 53.973 52.037 -0.003 0.000 0.632 650 A CB -0.845 18.152 19.000 -0.005 0.000 0.819 650 A HN 0.648 nan 8.150 nan 0.000 0.445 651 R N -0.301 120.199 120.500 0.000 0.000 2.117 651 R HA -0.139 4.216 4.340 0.025 0.000 0.243 651 R C 2.154 178.460 176.300 0.011 0.000 1.143 651 R CA 2.143 58.244 56.100 0.003 0.000 0.968 651 R CB -1.976 28.326 30.300 0.004 0.000 0.863 651 R HN 0.521 nan 8.270 nan 0.000 0.444 652 I N 0.198 120.775 120.570 0.012 0.000 2.113 652 I HA -0.142 4.043 4.170 0.025 0.000 0.238 652 I C 3.349 179.494 176.117 0.048 0.000 1.070 652 I CA 1.894 63.208 61.300 0.023 0.000 1.332 652 I CB -1.689 36.313 38.000 0.004 0.000 1.044 652 I HN 0.818 nan 8.210 nan 0.000 0.402 653 R N 0.384 120.905 120.500 0.034 0.000 2.117 653 R HA -0.270 4.085 4.340 0.025 0.000 0.243 653 R C 2.254 178.599 176.300 0.074 0.000 1.143 653 R CA 2.508 58.647 56.100 0.065 0.000 0.968 653 R CB -2.280 28.038 30.300 0.029 0.000 0.863 653 R HN 0.650 nan 8.270 nan 0.000 0.444 654 T N 0.685 115.251 114.554 0.021 0.000 2.708 654 T HA -0.027 4.338 4.350 0.025 0.000 0.266 654 T C 2.038 176.723 174.700 -0.025 0.000 1.037 654 T CA 1.445 63.531 62.100 -0.022 0.000 1.146 654 T CB -0.265 68.584 68.868 -0.031 0.000 0.865 654 T HN 0.438 nan 8.240 nan 0.000 0.435 655 I N 0.208 120.788 120.570 0.018 0.000 2.142 655 I HA -0.150 4.035 4.170 0.025 0.000 0.240 655 I C 2.131 178.271 176.117 0.039 0.000 1.078 655 I CA 1.400 62.715 61.300 0.024 0.000 1.343 655 I CB -0.392 37.636 38.000 0.048 0.000 1.046 655 I HN 0.178 nan 8.210 nan 0.000 0.405 656 F N 2.110 122.031 119.950 -0.048 0.000 2.025 656 F HA -0.303 4.239 4.527 0.025 0.000 0.297 656 F C 2.703 178.459 175.800 -0.074 0.000 1.132 656 F CA 1.786 59.757 58.000 -0.047 0.000 1.191 656 F CB -0.449 38.527 39.000 -0.039 0.000 0.963 656 F HN -0.096 nan 8.300 nan 0.000 0.481 657 R N 0.746 121.134 120.500 -0.186 0.000 2.103 657 R HA -0.179 4.176 4.340 0.025 0.000 0.242 657 R C 2.416 178.475 176.300 -0.403 0.000 1.142 657 R CA 1.735 57.621 56.100 -0.356 0.000 0.960 657 R CB -1.449 28.744 30.300 -0.178 0.000 0.858 657 R HN 0.442 nan 8.270 nan 0.000 0.439 658 L N 0.865 121.913 121.223 -0.292 0.000 2.017 658 L HA -0.199 4.155 4.340 0.025 0.000 0.208 658 L C 2.034 178.780 176.870 -0.207 0.000 1.073 658 L CA 1.316 55.995 54.840 -0.269 0.000 0.745 658 L CB -0.486 41.467 42.059 -0.176 0.000 0.894 658 L HN 0.198 nan 8.230 nan 0.000 0.432 659 N N -0.382 118.213 118.700 -0.176 0.000 2.120 659 N HA -0.176 4.578 4.740 0.025 0.000 0.188 659 N C 1.896 177.283 175.510 -0.205 0.000 1.024 659 N CA 1.266 54.245 53.050 -0.120 0.000 0.852 659 N CB -0.239 38.208 38.487 -0.068 0.000 1.003 659 N HN 0.289 nan 8.380 nan 0.000 0.424 660 M N 0.739 120.095 119.600 -0.407 0.000 2.089 660 M HA -0.175 4.320 4.480 0.025 0.000 0.257 660 M C 1.822 177.931 176.300 -0.318 0.000 1.071 660 M CA 1.379 56.417 55.300 -0.435 0.000 1.096 660 M CB -0.466 31.717 32.600 -0.696 0.000 1.330 660 M HN 0.063 nan 8.290 nan 0.000 0.403 661 I N -0.903 119.436 120.570 -0.385 0.000 2.113 661 I HA -0.226 3.959 4.170 0.025 0.000 0.238 661 I C 2.559 178.405 176.117 -0.451 0.000 1.070 661 I CA 1.286 62.259 61.300 -0.545 0.000 1.332 661 I CB -1.943 35.684 38.000 -0.622 0.000 1.044 661 I HN 0.258 nan 8.210 nan 0.000 0.402 662 S N 0.351 115.967 115.700 -0.140 0.000 2.389 662 S HA -0.243 4.242 4.470 0.025 0.000 0.231 662 S C 2.064 176.752 174.600 0.147 0.000 1.052 662 S CA 2.462 60.784 58.200 0.203 0.000 1.053 662 S CB -0.277 63.075 63.200 0.254 0.000 0.886 662 S HN 0.574 nan 8.310 nan 0.000 0.456 663 T N 1.972 116.531 114.554 0.009 0.000 2.698 663 T HA -0.009 4.356 4.350 0.025 0.000 0.260 663 T C 1.722 176.453 174.700 0.053 0.000 1.044 663 T CA 1.244 63.358 62.100 0.024 0.000 1.149 663 T CB -0.607 68.270 68.868 0.016 0.000 0.864 663 T HN 0.270 nan 8.240 nan 0.000 0.419 664 L N 0.746 121.953 121.223 -0.027 0.000 2.051 664 L HA -0.086 4.269 4.340 0.025 0.000 0.214 664 L C 2.063 179.005 176.870 0.120 0.000 1.076 664 L CA 1.729 56.560 54.840 -0.015 0.000 0.758 664 L CB -0.899 41.096 42.059 -0.107 0.000 0.890 664 L HN 0.335 nan 8.230 nan 0.000 0.433 665 F N -1.445 118.538 119.950 0.055 0.000 2.075 665 F HA -0.295 4.247 4.527 0.025 0.000 0.297 665 F C 2.856 178.680 175.800 0.040 0.000 1.113 665 F CA 1.003 59.041 58.000 0.064 0.000 1.218 665 F CB -0.631 38.438 39.000 0.115 0.000 0.984 665 F HN 0.228 nan 8.300 nan 0.000 0.472 666 S N 0.223 116.059 115.700 0.227 0.000 2.368 666 S HA -0.297 4.188 4.470 0.025 0.000 0.226 666 S C 2.235 176.898 174.600 0.105 0.000 1.044 666 S CA 2.233 60.480 58.200 0.077 0.000 1.062 666 S CB -0.711 62.458 63.200 -0.051 0.000 0.931 666 S HN 0.458 nan 8.310 nan 0.000 0.440 667 S N 0.097 115.863 115.700 0.111 0.000 2.436 667 S HA 0.088 4.572 4.470 0.025 0.000 0.228 667 S C 1.746 176.319 174.600 -0.045 0.000 1.014 667 S CA 0.816 59.009 58.200 -0.012 0.000 0.950 667 S CB -0.474 62.526 63.200 -0.333 0.000 0.784 667 S HN 0.455 nan 8.310 nan 0.000 0.504 668 L N 1.982 123.222 121.223 0.028 0.000 2.610 668 L HA 0.287 4.642 4.340 0.025 0.000 0.232 668 L C 1.929 178.818 176.870 0.033 0.000 1.149 668 L CA 0.511 55.372 54.840 0.035 0.000 0.872 668 L CB -0.471 41.656 42.059 0.112 0.000 0.992 668 L HN 0.320 nan 8.230 nan 0.000 0.447 669 N N -0.286 118.437 118.700 0.038 0.000 2.461 669 N HA -0.005 4.749 4.740 0.025 0.000 0.188 669 N C 0.841 176.356 175.510 0.008 0.000 1.134 669 N CA 0.811 53.871 53.050 0.018 0.000 0.878 669 N CB 0.009 38.513 38.487 0.028 0.000 0.972 669 N HN 0.484 nan 8.380 nan 0.000 0.456 685 V N -0.740 119.153 119.914 -0.036 0.000 3.621 685 V HA 0.483 4.618 4.120 0.025 0.000 0.285 685 V C 2.930 178.978 176.094 -0.076 0.000 1.346 685 V CA 1.974 64.254 62.300 -0.032 0.000 1.104 685 V CB -0.501 31.295 31.823 -0.046 0.000 0.913 685 V HN 1.317 nan 8.190 nan 0.000 0.432 686 L N -0.906 120.267 121.223 -0.083 0.000 2.013 686 L HA -0.151 4.204 4.340 0.025 0.000 0.212 686 L C 2.647 179.480 176.870 -0.062 0.000 1.073 686 L CA 2.852 57.639 54.840 -0.088 0.000 0.753 686 L CB -1.318 40.699 42.059 -0.070 0.000 0.890 686 L HN 0.559 nan 8.230 nan 0.000 0.432 687 L N -0.636 120.562 121.223 -0.042 0.000 2.127 687 L HA -0.122 4.233 4.340 0.025 0.000 0.211 687 L C 2.555 179.407 176.870 -0.030 0.000 1.089 687 L CA 2.068 56.888 54.840 -0.033 0.000 0.757 687 L CB -0.530 41.512 42.059 -0.028 0.000 0.899 687 L HN 0.240 nan 8.230 nan 0.000 0.434 688 V N -0.835 119.069 119.914 -0.016 0.000 2.295 688 V HA -0.310 3.825 4.120 0.025 0.000 0.246 688 V C 2.482 178.605 176.094 0.048 0.000 1.049 688 V CA 1.955 64.258 62.300 0.005 0.000 1.024 688 V CB -0.631 31.258 31.823 0.110 0.000 0.648 688 V HN 0.566 nan 8.190 nan 0.000 0.447 689 M N 0.954 120.568 119.600 0.024 0.000 2.132 689 M HA -0.098 4.397 4.480 0.025 0.000 0.263 689 M C 2.264 178.567 176.300 0.005 0.000 1.065 689 M CA 2.474 57.783 55.300 0.014 0.000 1.122 689 M CB -1.127 31.376 32.600 -0.161 0.000 1.365 689 M HN 0.391 nan 8.290 nan 0.000 0.411 690 Q N 0.197 119.982 119.800 -0.024 0.000 2.062 690 Q HA -0.211 4.144 4.340 0.025 0.000 0.209 690 Q C 2.265 178.270 176.000 0.009 0.000 0.996 690 Q CA 3.357 59.150 55.803 -0.018 0.000 0.859 690 Q CB -1.876 26.848 28.738 -0.024 0.000 0.920 690 Q HN 0.794 nan 8.270 nan 0.000 0.415 691 R N 0.105 120.612 120.500 0.010 0.000 2.313 691 R HA 0.158 4.513 4.340 0.025 0.000 0.199 691 R C 2.246 178.587 176.300 0.069 0.000 0.958 691 R CA 1.548 57.659 56.100 0.018 0.000 1.047 691 R CB -0.872 29.416 30.300 -0.021 0.000 0.955 691 R HN 0.685 nan 8.270 nan 0.000 0.481 692 T N 0.517 115.153 114.554 0.137 0.000 3.042 692 T HA -0.013 4.352 4.350 0.025 0.000 0.245 692 T C 2.215 177.124 174.700 0.349 0.000 1.029 692 T CA 0.927 63.225 62.100 0.330 0.000 1.120 692 T CB -0.093 69.138 68.868 0.605 0.000 0.917 692 T HN 0.630 nan 8.240 nan 0.000 0.467 693 M N 1.472 121.171 119.600 0.165 0.000 2.153 693 M HA -0.128 4.367 4.480 0.025 0.000 0.253 693 M C -1.187 175.200 176.300 0.146 0.000 1.081 693 M CA 2.064 57.398 55.300 0.057 0.000 1.076 693 M CB -2.326 30.258 32.600 -0.027 0.000 1.350 693 M HN 0.101 nan 8.290 nan 0.000 0.401 694 P HA -0.055 nan 4.420 nan 0.000 0.219 694 P C 1.865 179.251 177.300 0.144 0.000 1.150 694 P CA 1.492 64.669 63.100 0.129 0.000 0.814 694 P CB -0.438 31.318 31.700 0.095 0.000 0.787 695 I N -5.280 115.388 120.570 0.163 0.000 2.493 695 I HA -0.162 4.023 4.170 0.025 0.000 0.254 695 I C 1.606 177.710 176.117 -0.022 0.000 1.160 695 I CA 1.515 62.850 61.300 0.058 0.000 1.445 695 I CB -0.918 37.090 38.000 0.014 0.000 1.086 695 I HN -0.230 nan 8.210 nan 0.000 0.433 696 F N 1.835 121.730 119.950 -0.091 0.000 2.234 696 F HA -0.015 4.527 4.527 0.025 0.000 0.299 696 F C 2.509 178.333 175.800 0.041 0.000 1.087 696 F CA 1.338 59.224 58.000 -0.191 0.000 1.340 696 F CB -0.515 38.093 39.000 -0.654 0.000 1.031 696 F HN -0.050 nan 8.300 nan 0.000 0.500 697 K N 0.180 120.752 120.400 0.287 0.000 2.026 697 K HA -0.204 4.131 4.320 0.025 0.000 0.208 697 K C 2.680 179.391 176.600 0.185 0.000 1.048 697 K CA 1.667 58.142 56.287 0.313 0.000 0.929 697 K CB -0.333 32.295 32.500 0.213 0.000 0.713 697 K HN 0.203 nan 8.250 nan 0.000 0.439 698 R N 1.400 121.966 120.500 0.111 0.000 2.081 698 R HA -0.100 4.255 4.340 0.025 0.000 0.235 698 R C 2.062 178.383 176.300 0.036 0.000 1.131 698 R CA 1.904 58.038 56.100 0.057 0.000 0.960 698 R CB -1.544 28.774 30.300 0.029 0.000 0.856 698 R HN 0.230 nan 8.270 nan 0.000 0.436 699 I N 0.682 121.256 120.570 0.008 0.000 2.286 699 I HA -0.186 3.999 4.170 0.025 0.000 0.248 699 I C 3.081 179.227 176.117 0.048 0.000 1.115 699 I CA 1.157 62.444 61.300 -0.021 0.000 1.392 699 I CB -0.460 37.468 38.000 -0.121 0.000 1.065 699 I HN 0.468 nan 8.210 nan 0.000 0.418 700 A N 1.023 123.923 122.820 0.133 0.000 1.908 700 A HA -0.276 4.059 4.320 0.025 0.000 0.218 700 A C 2.465 180.091 177.584 0.069 0.000 1.181 700 A CA 2.404 54.527 52.037 0.143 0.000 0.627 700 A CB -1.102 18.029 19.000 0.219 0.000 0.818 700 A HN 0.467 nan 8.150 nan 0.000 0.445 701 E N -0.825 119.411 120.200 0.061 0.000 2.085 701 E HA -0.202 4.163 4.350 0.025 0.000 0.194 701 E C 1.888 178.501 176.600 0.022 0.000 0.994 701 E CA 1.810 58.231 56.400 0.034 0.000 0.801 701 E CB -0.674 29.046 29.700 0.033 0.000 0.743 701 E HN 0.539 nan 8.360 nan 0.000 0.453 702 M N -1.257 118.355 119.600 0.019 0.000 2.175 702 M HA -0.027 4.468 4.480 0.025 0.000 0.264 702 M C 2.503 178.809 176.300 0.010 0.000 1.063 702 M CA 1.581 56.887 55.300 0.009 0.000 1.119 702 M CB -1.292 31.308 32.600 -0.000 0.000 1.377 702 M HN 0.817 nan 8.290 nan 0.000 0.415 703 W N -0.252 121.059 121.300 0.017 0.000 3.330 703 W HA 0.365 5.040 4.660 0.025 0.000 0.348 703 W C 1.844 178.374 176.519 0.018 0.000 1.205 703 W CA 0.057 57.413 57.345 0.018 0.000 1.841 703 W CB -1.514 27.962 29.460 0.027 0.000 1.084 703 W HN -0.011 nan 8.180 nan 0.000 0.665 704 V N 1.859 121.781 119.914 0.014 0.000 2.380 704 V HA -0.256 3.878 4.120 0.025 0.000 0.251 704 V C 2.464 178.557 176.094 -0.002 0.000 1.063 704 V CA 3.135 65.438 62.300 0.004 0.000 1.055 704 V CB -1.103 30.721 31.823 0.001 0.000 0.657 704 V HN 0.704 nan 8.190 nan 0.000 0.455 705 E N -0.543 119.657 120.200 0.001 0.000 2.472 705 E HA 0.276 4.641 4.350 0.025 0.000 0.196 705 E C 1.068 177.670 176.600 0.002 0.000 1.033 705 E CA 0.777 57.177 56.400 -0.001 0.000 0.886 705 E CB -0.174 29.526 29.700 -0.000 0.000 0.944 705 E HN 0.812 nan 8.360 nan 0.000 0.492 706 E N 0.528 120.731 120.200 0.006 0.000 2.149 706 E HA 0.613 4.978 4.350 0.025 0.000 0.255 706 E C 0.782 177.389 176.600 0.012 0.000 0.888 706 E CA -0.371 56.034 56.400 0.008 0.000 0.742 706 E CB -0.257 29.448 29.700 0.009 0.000 1.164 706 E HN 0.382 nan 8.360 nan 0.000 0.422 707 I N 1.171 121.747 120.570 0.011 0.000 2.264 707 I HA -0.227 3.958 4.170 0.025 0.000 0.248 707 I C 2.780 178.909 176.117 0.021 0.000 1.111 707 I CA 2.056 63.364 61.300 0.014 0.000 1.382 707 I CB -0.548 37.458 38.000 0.011 0.000 1.060 707 I HN 0.732 nan 8.210 nan 0.000 0.418 708 D N 1.067 121.479 120.400 0.019 0.000 2.137 708 D HA -0.196 4.459 4.640 0.025 0.000 0.189 708 D C 2.169 178.484 176.300 0.025 0.000 0.998 708 D CA 2.510 56.523 54.000 0.022 0.000 0.839 708 D CB -1.011 39.800 40.800 0.019 0.000 0.962 708 D HN 0.129 nan 8.370 nan 0.000 0.446 709 V N -0.193 119.734 119.914 0.021 0.000 2.407 709 V HA -0.142 3.993 4.120 0.025 0.000 0.248 709 V C 2.760 178.875 176.094 0.035 0.000 1.055 709 V CA 1.389 63.701 62.300 0.019 0.000 1.049 709 V CB -0.460 31.369 31.823 0.011 0.000 0.662 709 V HN 0.445 nan 8.190 nan 0.000 0.455 710 L N 0.971 122.219 121.223 0.041 0.000 1.970 710 L HA -0.192 4.163 4.340 0.025 0.000 0.212 710 L C 2.899 179.814 176.870 0.075 0.000 1.071 710 L CA 2.730 57.606 54.840 0.061 0.000 0.751 710 L CB -1.440 40.640 42.059 0.035 0.000 0.889 710 L HN 0.507 nan 8.230 nan 0.000 0.432 711 E N -0.819 119.412 120.200 0.051 0.000 2.097 711 E HA -0.217 4.148 4.350 0.025 0.000 0.196 711 E C 2.226 178.862 176.600 0.059 0.000 1.000 711 E CA 1.846 58.276 56.400 0.050 0.000 0.804 711 E CB -1.172 28.552 29.700 0.038 0.000 0.740 711 E HN 0.633 nan 8.360 nan 0.000 0.454 712 A N 0.832 123.684 122.820 0.053 0.000 1.883 712 A HA 0.201 4.535 4.320 0.025 0.000 0.217 712 A C 2.843 180.464 177.584 0.061 0.000 1.186 712 A CA 2.772 54.836 52.037 0.046 0.000 0.624 712 A CB -0.786 18.228 19.000 0.023 0.000 0.822 712 A HN 1.062 nan 8.150 nan 0.000 0.444 713 A N -1.113 121.758 122.820 0.085 0.000 1.873 713 A HA -0.138 4.197 4.320 0.025 0.000 0.215 713 A C 2.333 180.071 177.584 0.256 0.000 1.186 713 A CA 1.581 53.710 52.037 0.154 0.000 0.616 713 A CB -1.320 17.784 19.000 0.174 0.000 0.823 713 A HN 0.590 nan 8.150 nan 0.000 0.442 714 C N 0.184 119.627 119.300 0.238 0.000 2.413 714 C HA -0.151 4.324 4.460 0.025 0.000 0.276 714 C C 3.461 178.464 174.990 0.022 0.000 1.236 714 C CA 1.655 60.795 59.018 0.204 0.000 1.735 714 C CB -1.293 26.531 27.740 0.141 0.000 2.031 714 C HN 0.810 nan 8.230 nan 0.000 0.474 715 S N 2.086 117.767 115.700 -0.031 0.000 2.359 715 S HA -0.231 4.254 4.470 0.025 0.000 0.223 715 S C 2.042 176.400 174.600 -0.404 0.000 1.039 715 S CA 1.863 59.918 58.200 -0.242 0.000 1.042 715 S CB -0.931 62.260 63.200 -0.015 0.000 0.915 715 S HN 0.682 nan 8.310 nan 0.000 0.439 716 A N 2.131 124.947 122.820 -0.006 0.000 1.873 716 A HA -0.140 4.195 4.320 0.025 0.000 0.218 716 A C 2.336 179.996 177.584 0.127 0.000 1.193 716 A CA 2.418 54.572 52.037 0.194 0.000 0.629 716 A CB -1.029 18.157 19.000 0.310 0.000 0.826 716 A HN 0.565 nan 8.150 nan 0.000 0.447 717 M N 0.221 119.807 119.600 -0.024 0.000 2.073 717 M HA -0.160 4.335 4.480 0.025 0.000 0.258 717 M C 2.310 178.478 176.300 -0.219 0.000 1.070 717 M CA 3.114 58.210 55.300 -0.341 0.000 1.103 717 M CB -0.862 31.506 32.600 -0.387 0.000 1.321 717 M HN 0.453 nan 8.290 nan 0.000 0.405 718 K N -0.713 119.569 120.400 -0.198 0.000 2.020 718 K HA -0.214 4.120 4.320 0.025 0.000 0.212 718 K C 1.892 178.425 176.600 -0.111 0.000 1.050 718 K CA 2.315 58.491 56.287 -0.184 0.000 0.929 718 K CB -2.202 30.154 32.500 -0.240 0.000 0.714 718 K HN 0.764 nan 8.250 nan 0.000 0.443 719 H N -0.127 118.967 119.070 0.040 0.000 2.422 719 H HA 0.061 4.632 4.556 0.025 0.000 0.298 719 H C 2.399 177.704 175.328 -0.039 0.000 1.098 719 H CA 1.434 57.515 56.048 0.055 0.000 1.315 719 H CB -0.602 29.255 29.762 0.158 0.000 1.382 719 H HN 0.596 nan 8.280 nan 0.000 0.523 720 A N 1.134 123.918 122.820 -0.062 0.000 1.975 720 A HA 0.088 4.423 4.320 0.025 0.000 0.215 720 A C 2.861 180.265 177.584 -0.301 0.000 1.170 720 A CA 1.239 52.999 52.037 -0.462 0.000 0.656 720 A CB -1.018 17.464 19.000 -0.863 0.000 0.821 720 A HN 0.296 nan 8.150 nan 0.000 0.449 721 I N -1.010 119.437 120.570 -0.205 0.000 2.454 721 I HA -0.120 4.065 4.170 0.025 0.000 0.254 721 I C 2.475 178.531 176.117 -0.102 0.000 1.156 721 I CA 2.584 63.791 61.300 -0.155 0.000 1.433 721 I CB -2.087 35.837 38.000 -0.127 0.000 1.082 721 I HN 0.375 nan 8.210 nan 0.000 0.432 722 T N 1.291 115.804 114.554 -0.069 0.000 2.759 722 T HA -0.182 4.183 4.350 0.025 0.000 0.269 722 T C 2.297 176.968 174.700 -0.048 0.000 1.042 722 T CA 2.054 64.134 62.100 -0.033 0.000 1.140 722 T CB -1.053 67.823 68.868 0.013 0.000 0.864 722 T HN 0.954 nan 8.240 nan 0.000 0.455 723 N N 1.221 119.872 118.700 -0.081 0.000 2.166 723 N HA -0.051 4.704 4.740 0.025 0.000 0.186 723 N C 1.897 177.365 175.510 -0.070 0.000 1.019 723 N CA 1.467 54.470 53.050 -0.079 0.000 0.856 723 N CB -0.800 37.617 38.487 -0.117 0.000 0.993 723 N HN 0.319 nan 8.380 nan 0.000 0.426 724 L N 0.692 121.866 121.223 -0.080 0.000 1.990 724 L HA -0.132 4.223 4.340 0.025 0.000 0.213 724 L C 2.962 179.805 176.870 -0.045 0.000 1.072 724 L CA 3.130 57.931 54.840 -0.065 0.000 0.755 724 L CB -1.220 40.797 42.059 -0.070 0.000 0.889 724 L HN 0.555 nan 8.230 nan 0.000 0.432 725 R N 0.025 120.501 120.500 -0.039 0.000 2.133 725 R HA -0.084 4.271 4.340 0.025 0.000 0.245 725 R C 1.670 177.956 176.300 -0.024 0.000 1.137 725 R CA 2.216 58.299 56.100 -0.027 0.000 0.947 725 R CB -2.225 28.062 30.300 -0.021 0.000 0.865 725 R HN 0.809 nan 8.270 nan 0.000 0.437 730 P HA 0.327 nan 4.420 nan 0.000 0.229 730 P C 1.811 179.090 177.300 -0.035 0.000 1.160 730 P CA 3.046 66.129 63.100 -0.028 0.000 0.777 730 P CB -0.453 31.231 31.700 -0.027 0.000 0.814 731 M N -1.083 118.487 119.600 -0.051 0.000 2.175 731 M HA 0.206 4.701 4.480 0.025 0.000 0.264 731 M C 2.619 178.891 176.300 -0.048 0.000 1.063 731 M CA 2.477 57.736 55.300 -0.068 0.000 1.119 731 M CB -2.212 30.331 32.600 -0.096 0.000 1.377 731 M HN 0.263 nan 8.290 nan 0.000 0.415 732 L N 0.132 121.333 121.223 -0.036 0.000 2.129 732 L HA -0.031 4.324 4.340 0.025 0.000 0.212 732 L C 2.546 179.411 176.870 -0.009 0.000 1.087 732 L CA 3.676 58.502 54.840 -0.023 0.000 0.757 732 L CB -2.574 39.473 42.059 -0.020 0.000 0.896 732 L HN 0.867 nan 8.230 nan 0.000 0.434 733 Q N -0.731 119.065 119.800 -0.007 0.000 2.020 733 Q HA -0.286 4.068 4.340 0.025 0.000 0.202 733 Q C 2.183 178.194 176.000 0.018 0.000 0.982 733 Q CA 1.732 57.538 55.803 0.004 0.000 0.838 733 Q CB -1.187 27.552 28.738 0.002 0.000 0.899 733 Q HN 0.875 nan 8.270 nan 0.000 0.423 734 D N 0.073 120.483 120.400 0.016 0.000 2.264 734 D HA -0.072 4.583 4.640 0.025 0.000 0.208 734 D C 2.017 178.375 176.300 0.097 0.000 0.966 734 D CA 1.514 55.540 54.000 0.044 0.000 0.864 734 D CB -0.219 40.590 40.800 0.014 0.000 0.933 734 D HN 0.517 nan 8.370 nan 0.000 0.499 735 L N 1.225 122.490 121.223 0.070 0.000 1.994 735 L HA -0.120 4.235 4.340 0.025 0.000 0.208 735 L C 3.242 180.168 176.870 0.093 0.000 1.071 735 L CA 2.410 57.327 54.840 0.127 0.000 0.745 735 L CB -2.115 39.973 42.059 0.049 0.000 0.892 735 L HN 0.555 nan 8.230 nan 0.000 0.431 736 C N -0.422 118.901 119.300 0.038 0.000 2.419 736 C HA 0.316 4.791 4.460 0.025 0.000 0.281 736 C C 3.023 178.024 174.990 0.020 0.000 1.336 736 C CA 2.932 61.956 59.018 0.010 0.000 1.770 736 C CB -1.536 26.208 27.740 0.006 0.000 1.929 736 C HN 0.966 nan 8.230 nan 0.000 0.509 737 L N -1.719 119.539 121.223 0.058 0.000 2.127 737 L HA 0.244 4.599 4.340 0.025 0.000 0.203 737 L C 2.591 179.529 176.870 0.114 0.000 1.080 737 L CA 2.105 56.988 54.840 0.072 0.000 0.768 737 L CB -1.730 40.377 42.059 0.081 0.000 0.924 737 L HN 0.570 nan 8.230 nan 0.000 0.444 738 F N 0.035 119.985 119.950 -0.000 0.000 2.186 738 F HA -0.058 4.484 4.527 0.025 0.000 0.299 738 F C 2.020 177.820 175.800 0.001 0.000 1.090 738 F CA 1.589 59.597 58.000 0.013 0.000 1.307 738 F CB -0.158 38.844 39.000 0.004 0.000 1.019 738 F HN 0.188 nan 8.300 nan 0.000 0.489 739 I N 0.099 120.501 120.570 -0.281 0.000 2.500 739 I HA -0.130 4.055 4.170 0.025 0.000 0.252 739 I C 2.506 178.494 176.117 -0.216 0.000 1.142 739 I CA 0.926 61.999 61.300 -0.378 0.000 1.451 739 I CB -0.781 37.088 38.000 -0.219 0.000 1.093 739 I HN 0.162 nan 8.210 nan 0.000 0.430 740 V N 0.436 120.284 119.914 -0.110 0.000 3.141 740 V HA -0.017 4.118 4.120 0.025 0.000 0.265 740 V C 2.404 178.460 176.094 -0.063 0.000 1.126 740 V CA 2.167 64.427 62.300 -0.066 0.000 1.141 740 V CB -0.633 31.174 31.823 -0.025 0.000 0.743 740 V HN 0.321 nan 8.190 nan 0.000 0.492 741 A N -0.738 122.034 122.820 -0.080 0.000 1.973 741 A HA 0.350 4.685 4.320 0.025 0.000 0.210 741 A C 2.562 180.087 177.584 -0.100 0.000 1.200 741 A CA 1.725 53.733 52.037 -0.049 0.000 0.707 741 A CB -0.522 18.489 19.000 0.018 0.000 0.862 741 A HN 0.830 nan 8.150 nan 0.000 0.461 742 S N -0.645 114.926 115.700 -0.216 0.000 2.345 742 S HA 0.053 4.538 4.470 0.025 0.000 0.220 742 S C 2.173 176.680 174.600 -0.155 0.000 1.031 742 S CA 2.205 60.260 58.200 -0.240 0.000 0.996 742 S CB -1.195 61.736 63.200 -0.448 0.000 0.882 742 S HN 1.220 nan 8.310 nan 0.000 0.445 743 F N 1.210 121.069 119.950 -0.150 0.000 2.192 743 F HA 0.277 4.819 4.527 0.025 0.000 0.301 743 F C 2.034 177.785 175.800 -0.082 0.000 1.079 743 F CA 2.012 59.949 58.000 -0.105 0.000 1.303 743 F CB -1.653 37.294 39.000 -0.087 0.000 1.024 743 F HN 0.862 nan 8.300 nan 0.000 0.494 748 C N 0.835 120.104 119.300 -0.051 0.000 2.700 748 C HA 0.748 5.223 4.460 0.025 0.000 0.397 748 C C 2.064 177.039 174.990 -0.024 0.000 1.301 748 C CA 0.919 59.918 59.018 -0.032 0.000 2.219 748 C CB -0.020 27.705 27.740 -0.024 0.000 2.699 748 C HN 2.025 nan 8.230 nan 0.000 0.669 749 A N 2.617 125.433 122.820 -0.007 0.000 1.978 749 A HA -0.044 4.291 4.320 0.025 0.000 0.220 749 A C 0.584 178.169 177.584 0.002 0.000 1.170 749 A CA 2.390 54.433 52.037 0.009 0.000 0.636 749 A CB -1.496 17.517 19.000 0.021 0.000 0.810 749 A HN 0.853 nan 8.150 nan 0.000 0.448 750 P HA -0.113 nan 4.420 nan 0.000 0.216 750 P C 1.815 179.088 177.300 -0.044 0.000 1.153 750 P CA 2.308 65.400 63.100 -0.012 0.000 0.844 750 P CB -0.497 31.205 31.700 0.003 0.000 0.787 751 T N 1.367 115.882 114.554 -0.066 0.000 2.592 751 T HA -0.232 4.133 4.350 0.025 0.000 0.267 751 T C 2.350 176.965 174.700 -0.141 0.000 1.060 751 T CA 3.578 65.605 62.100 -0.121 0.000 1.167 751 T CB -1.539 67.261 68.868 -0.115 0.000 0.863 751 T HN 0.059 nan 8.240 nan 0.000 0.431 752 L N 0.982 122.148 121.223 -0.094 0.000 2.201 752 L HA 0.393 4.748 4.340 0.025 0.000 0.212 752 L C 2.845 179.577 176.870 -0.229 0.000 1.105 752 L CA 2.642 57.375 54.840 -0.178 0.000 0.775 752 L CB -2.268 39.879 42.059 0.146 0.000 0.913 752 L HN 0.843 nan 8.230 nan 0.000 0.440 753 E N 1.055 121.189 120.200 -0.110 0.000 2.058 753 E HA -0.262 4.103 4.350 0.025 0.000 0.194 753 E C 2.060 178.593 176.600 -0.111 0.000 0.997 753 E CA 2.222 58.572 56.400 -0.083 0.000 0.801 753 E CB -0.845 28.834 29.700 -0.036 0.000 0.746 753 E HN 1.033 nan 8.360 nan 0.000 0.450 754 I N -2.553 117.947 120.570 -0.115 0.000 2.233 754 I HA 0.057 4.242 4.170 0.025 0.000 0.243 754 I C 2.920 178.944 176.117 -0.155 0.000 1.093 754 I CA 1.853 63.093 61.300 -0.100 0.000 1.380 754 I CB -0.959 37.014 38.000 -0.045 0.000 1.067 754 I HN 0.287 nan 8.210 nan 0.000 0.413 755 S N 3.229 118.782 115.700 -0.246 0.000 2.368 755 S HA -0.310 4.175 4.470 0.025 0.000 0.226 755 S C 2.308 176.715 174.600 -0.321 0.000 1.044 755 S CA 2.726 60.728 58.200 -0.330 0.000 1.062 755 S CB -0.779 62.081 63.200 -0.566 0.000 0.931 755 S HN 0.567 nan 8.310 nan 0.000 0.440 756 K N 0.610 120.785 120.400 -0.374 0.000 2.009 756 K HA -0.145 4.190 4.320 0.025 0.000 0.210 756 K C 2.061 178.588 176.600 -0.122 0.000 1.049 756 K CA 2.350 58.498 56.287 -0.231 0.000 0.929 756 K CB -1.296 31.099 32.500 -0.175 0.000 0.714 756 K HN 0.453 nan 8.250 nan 0.000 0.440 757 T N 1.553 116.045 114.554 -0.103 0.000 2.665 757 T HA -0.156 4.209 4.350 0.025 0.000 0.268 757 T C 2.107 176.773 174.700 -0.057 0.000 1.035 757 T CA 1.961 64.025 62.100 -0.061 0.000 1.151 757 T CB -0.511 68.327 68.868 -0.050 0.000 0.862 757 T HN 0.477 nan 8.240 nan 0.000 0.438 758 A N 1.372 124.149 122.820 -0.072 0.000 1.845 758 A HA -0.038 4.296 4.320 0.025 0.000 0.215 758 A C 2.334 179.889 177.584 -0.048 0.000 1.195 758 A CA 1.457 53.460 52.037 -0.058 0.000 0.616 758 A CB -0.929 18.034 19.000 -0.062 0.000 0.832 758 A HN 0.513 nan 8.150 nan 0.000 0.443 759 I N 0.556 121.089 120.570 -0.061 0.000 2.113 759 I HA -0.295 3.890 4.170 0.025 0.000 0.242 759 I C 2.386 178.493 176.117 -0.016 0.000 1.064 759 I CA 1.919 63.198 61.300 -0.035 0.000 1.320 759 I CB -0.597 37.380 38.000 -0.039 0.000 1.028 759 I HN 0.345 nan 8.210 nan 0.000 0.406 760 V N -2.411 117.491 119.914 -0.020 0.000 3.186 760 V HA -0.175 3.960 4.120 0.025 0.000 0.270 760 V C 1.975 178.066 176.094 -0.006 0.000 1.149 760 V CA 1.202 63.498 62.300 -0.006 0.000 1.160 760 V CB -0.594 31.225 31.823 -0.007 0.000 0.758 760 V HN 0.422 nan 8.190 nan 0.000 0.516 761 M N -0.859 118.734 119.600 -0.012 0.000 2.356 761 M HA 0.483 4.978 4.480 0.025 0.000 0.262 761 M C 1.023 177.317 176.300 -0.009 0.000 1.097 761 M CA 0.693 55.987 55.300 -0.011 0.000 0.991 761 M CB -0.094 32.496 32.600 -0.017 0.000 1.450 761 M HN 0.800 nan 8.290 nan 0.000 0.495 762 F N -1.236 118.710 119.950 -0.006 0.000 2.893 762 F HA 0.779 5.321 4.527 0.025 0.000 0.340 762 F C 0.149 175.952 175.800 0.006 0.000 1.300 762 F CA -1.368 56.631 58.000 -0.002 0.000 1.227 762 F CB -1.001 nan 39.000 nan 0.000 1.044 762 F HN 0.317 nan 8.300 nan 0.000 0.512 770 P HA -0.029 nan 4.420 nan 0.000 0.213 770 P C 1.997 179.304 177.300 0.011 0.000 1.170 770 P CA 2.463 65.569 63.100 0.011 0.000 0.893 770 P CB -0.741 30.963 31.700 0.007 0.000 0.784 771 L N 0.673 121.900 121.223 0.007 0.000 2.064 771 L HA -0.203 4.152 4.340 0.025 0.000 0.216 771 L C 2.984 179.857 176.870 0.006 0.000 1.077 771 L CA 3.713 58.555 54.840 0.004 0.000 0.766 771 L CB -2.437 39.621 42.059 -0.001 0.000 0.890 771 L HN 0.193 nan 8.230 nan 0.000 0.435 772 M N -1.953 117.653 119.600 0.010 0.000 2.123 772 M HA -0.185 4.309 4.480 0.025 0.000 0.263 772 M C 2.416 178.735 176.300 0.031 0.000 1.069 772 M CA 2.407 57.716 55.300 0.015 0.000 1.133 772 M CB -0.490 32.121 32.600 0.018 0.000 1.356 772 M HN 0.597 nan 8.290 nan 0.000 0.415 773 Q N 0.561 120.382 119.800 0.035 0.000 2.096 773 Q HA -0.249 4.106 4.340 0.025 0.000 0.204 773 Q C 2.308 178.335 176.000 0.044 0.000 0.982 773 Q CA 3.127 58.958 55.803 0.046 0.000 0.850 773 Q CB -0.277 28.484 28.738 0.039 0.000 0.901 773 Q HN 0.854 nan 8.270 nan 0.000 0.422 774 Q N 0.494 120.312 119.800 0.031 0.000 2.079 774 Q HA -0.142 4.213 4.340 0.025 0.000 0.200 774 Q C 1.930 177.949 176.000 0.033 0.000 0.974 774 Q CA 1.557 57.376 55.803 0.026 0.000 0.840 774 Q CB -0.885 27.863 28.738 0.016 0.000 0.898 774 Q HN 0.435 nan 8.270 nan 0.000 0.430 775 L N -0.448 120.792 121.223 0.029 0.000 2.093 775 L HA 0.016 4.371 4.340 0.025 0.000 0.208 775 L C 2.396 179.316 176.870 0.084 0.000 1.085 775 L CA 1.896 56.752 54.840 0.027 0.000 0.755 775 L CB -0.365 41.689 42.059 -0.008 0.000 0.904 775 L HN 0.488 nan 8.230 nan 0.000 0.435 776 L N -0.856 120.433 121.223 0.111 0.000 2.072 776 L HA -0.105 4.250 4.340 0.025 0.000 0.205 776 L C 2.709 179.693 176.870 0.191 0.000 1.079 776 L CA 1.411 56.391 54.840 0.232 0.000 0.752 776 L CB -0.533 41.642 42.059 0.194 0.000 0.906 776 L HN 0.202 nan 8.230 nan 0.000 0.436 777 R N -0.345 120.212 120.500 0.095 0.000 2.081 777 R HA -0.183 4.172 4.340 0.025 0.000 0.235 777 R C 2.271 178.581 176.300 0.016 0.000 1.131 777 R CA 1.731 57.854 56.100 0.039 0.000 0.960 777 R CB -0.254 30.064 30.300 0.030 0.000 0.856 777 R HN 0.601 nan 8.270 nan 0.000 0.436 778 E N 0.480 120.703 120.200 0.038 0.000 2.072 778 E HA -0.212 4.153 4.350 0.025 0.000 0.191 778 E C 1.544 178.153 176.600 0.014 0.000 0.985 778 E CA 1.275 57.683 56.400 0.013 0.000 0.801 778 E CB -0.942 28.768 29.700 0.017 0.000 0.750 778 E HN 0.433 nan 8.360 nan 0.000 0.452 779 F N 1.375 121.265 119.950 -0.101 0.000 2.120 779 F HA -0.150 4.392 4.527 0.025 0.000 0.300 779 F C 2.132 177.811 175.800 -0.203 0.000 1.095 779 F CA 1.917 59.846 58.000 -0.119 0.000 1.249 779 F CB -0.417 38.551 39.000 -0.053 0.000 0.995 779 F HN 0.205 nan 8.300 nan 0.000 0.480 780 I N -0.117 120.175 120.570 -0.463 0.000 2.193 780 I HA -0.271 3.914 4.170 0.025 0.000 0.240 780 I C 2.502 178.000 176.117 -1.031 0.000 1.084 780 I CA 1.573 62.398 61.300 -0.792 0.000 1.365 780 I CB -0.827 36.917 38.000 -0.427 0.000 1.064 780 I HN 0.173 nan 8.210 nan 0.000 0.410 781 Q N 0.257 119.795 119.800 -0.435 0.000 2.226 781 Q HA -0.203 4.152 4.340 0.025 0.000 0.204 781 Q C 2.275 178.149 176.000 -0.211 0.000 0.975 781 Q CA 1.825 57.534 55.803 -0.156 0.000 0.866 781 Q CB -0.018 28.717 28.738 -0.005 0.000 0.915 781 Q HN 0.652 nan 8.270 nan 0.000 0.440 782 H N -2.577 116.314 119.070 -0.299 0.000 2.372 782 H HA 0.125 4.696 4.556 0.025 0.000 0.301 782 H C 2.453 177.556 175.328 -0.374 0.000 1.065 782 H CA 0.578 56.484 56.048 -0.238 0.000 1.364 782 H CB -0.782 28.882 29.762 -0.164 0.000 1.406 782 H HN 0.320 nan 8.280 nan 0.000 0.521 783 S N 0.541 115.839 115.700 -0.670 0.000 2.374 783 S HA -0.173 4.312 4.470 0.025 0.000 0.227 783 S C 1.856 175.993 174.600 -0.772 0.000 1.037 783 S CA 1.800 59.438 58.200 -0.936 0.000 1.024 783 S CB -0.667 61.422 63.200 -1.851 0.000 0.861 783 S HN 0.566 nan 8.310 nan 0.000 0.456 784 F N 2.112 121.691 119.950 -0.618 0.000 2.095 784 F HA -0.208 4.334 4.527 0.025 0.000 0.298 784 F C 2.947 178.589 175.800 -0.263 0.000 1.104 784 F CA 1.152 58.835 58.000 -0.528 0.000 1.232 784 F CB -0.734 38.027 39.000 -0.399 0.000 0.987 784 F HN 0.261 nan 8.300 nan 0.000 0.475 785 K N 0.637 121.022 120.400 -0.025 0.000 2.059 785 K HA -0.231 4.104 4.320 0.025 0.000 0.212 785 K C 1.789 178.367 176.600 -0.037 0.000 1.050 785 K CA 2.008 58.282 56.287 -0.020 0.000 0.927 785 K CB -1.488 30.983 32.500 -0.048 0.000 0.714 785 K HN 0.301 nan 8.250 nan 0.000 0.447 786 L N -0.720 120.442 121.223 -0.103 0.000 2.056 786 L HA 0.059 4.414 4.340 0.025 0.000 0.207 786 L C 2.479 179.320 176.870 -0.048 0.000 1.078 786 L CA 1.543 56.329 54.840 -0.090 0.000 0.749 786 L CB -0.328 41.643 42.059 -0.146 0.000 0.901 786 L HN 0.398 nan 8.230 nan 0.000 0.433 787 F N -0.430 119.480 119.950 -0.067 0.000 2.451 787 F HA -0.081 4.461 4.527 0.025 0.000 0.299 787 F C 2.296 178.229 175.800 0.222 0.000 1.101 787 F CA 0.949 58.992 58.000 0.072 0.000 1.436 787 F CB -0.579 38.416 39.000 -0.007 0.000 1.074 787 F HN 0.362 nan 8.300 nan 0.000 0.553 788 E N -0.271 120.022 120.200 0.155 0.000 2.511 788 E HA -0.026 4.339 4.350 0.025 0.000 0.196 788 E C 1.315 177.964 176.600 0.082 0.000 1.066 788 E CA 0.401 56.889 56.400 0.146 0.000 0.871 788 E CB -0.068 29.693 29.700 0.103 0.000 0.863 788 E HN 0.592 nan 8.360 nan 0.000 0.520 789 S N 0.694 116.430 115.700 0.061 0.000 2.587 789 S HA -0.036 4.449 4.470 0.025 0.000 0.260 789 S C 0.657 175.281 174.600 0.040 0.000 1.353 789 S CA -0.407 57.815 58.200 0.037 0.000 0.995 789 S CB 0.622 63.837 63.200 0.025 0.000 0.912 789 S HN 0.207 nan 8.310 nan 0.000 0.568 790 T N -0.516 114.053 114.554 0.025 0.000 2.765 790 T HA 0.119 4.484 4.350 0.025 0.000 0.275 790 T C -1.824 172.889 174.700 0.022 0.000 1.007 790 T CA -0.648 61.464 62.100 0.019 0.000 1.175 790 T CB -0.246 68.629 68.868 0.012 0.000 0.993 790 T HN 0.464 nan 8.240 nan 0.000 0.510 791 P HA -0.015 nan 4.420 nan 0.000 0.215 791 P C 1.894 179.198 177.300 0.006 0.000 1.157 791 P CA 1.930 65.034 63.100 0.008 0.000 0.868 791 P CB -0.213 31.476 31.700 -0.018 0.000 0.788 792 E N -0.440 119.761 120.200 0.001 0.000 2.038 792 E HA -0.268 4.096 4.350 0.025 0.000 0.195 792 E C 2.178 178.783 176.600 0.008 0.000 1.000 792 E CA 2.618 59.019 56.400 0.001 0.000 0.803 792 E CB -1.851 27.849 29.700 -0.001 0.000 0.750 792 E HN 0.406 nan 8.360 nan 0.000 0.448 793 Q N -1.179 118.628 119.800 0.011 0.000 2.389 793 Q HA 0.123 4.478 4.340 0.025 0.000 0.201 793 Q C 2.431 178.442 176.000 0.018 0.000 0.956 793 Q CA 1.761 57.572 55.803 0.013 0.000 0.871 793 Q CB -1.330 27.414 28.738 0.010 0.000 0.990 793 Q HN 0.943 nan 8.270 nan 0.000 0.554 794 N N -0.017 118.695 118.700 0.018 0.000 2.061 794 N HA -0.233 4.522 4.740 0.025 0.000 0.193 794 N C 2.063 177.592 175.510 0.030 0.000 1.030 794 N CA 2.619 55.682 53.050 0.022 0.000 0.856 794 N CB -1.448 37.052 38.487 0.021 0.000 1.023 794 N HN 0.856 nan 8.380 nan 0.000 0.424 795 F N 1.312 121.285 119.950 0.038 0.000 2.154 795 F HA -0.179 4.363 4.527 0.025 0.000 0.301 795 F C 2.630 178.460 175.800 0.050 0.000 1.087 795 F CA 2.260 60.292 58.000 0.052 0.000 1.274 795 F CB -1.131 37.900 39.000 0.051 0.000 1.009 795 F HN 0.504 nan 8.300 nan 0.000 0.485 796 S N 0.424 116.147 115.700 0.038 0.000 2.345 796 S HA -0.187 4.298 4.470 0.025 0.000 0.220 796 S C 1.521 176.143 174.600 0.036 0.000 1.031 796 S CA 1.346 59.568 58.200 0.037 0.000 0.996 796 S CB -0.753 62.464 63.200 0.027 0.000 0.882 796 S HN 0.655 nan 8.310 nan 0.000 0.445 797 N N 1.542 120.259 118.700 0.029 0.000 2.364 797 N HA -0.004 4.751 4.740 0.025 0.000 0.183 797 N C 1.067 176.593 175.510 0.027 0.000 1.022 797 N CA 0.734 53.798 53.050 0.025 0.000 0.883 797 N CB -0.256 38.242 38.487 0.018 0.000 0.965 797 N HN 0.313 nan 8.380 nan 0.000 0.438 798 I N 1.269 121.859 120.570 0.034 0.000 3.564 798 I HA 0.014 4.199 4.170 0.025 0.000 0.294 798 I C 2.430 178.576 176.117 0.049 0.000 1.289 798 I CA 0.131 61.452 61.300 0.034 0.000 1.325 798 I CB -1.617 36.406 38.000 0.039 0.000 1.039 798 I HN 0.068 nan 8.210 nan 0.000 0.474 799 S N 1.747 117.480 115.700 0.055 0.000 2.390 799 S HA -0.383 4.102 4.470 0.025 0.000 0.234 799 S C 2.037 176.678 174.600 0.068 0.000 1.063 799 S CA 2.860 61.100 58.200 0.067 0.000 1.108 799 S CB -1.046 62.189 63.200 0.057 0.000 0.975 799 S HN 0.533 nan 8.310 nan 0.000 0.442 800 D N 0.011 120.442 120.400 0.051 0.000 2.103 800 D HA -0.089 4.566 4.640 0.025 0.000 0.190 800 D C 2.151 178.483 176.300 0.053 0.000 0.997 800 D CA 2.422 56.451 54.000 0.048 0.000 0.833 800 D CB -1.583 39.237 40.800 0.034 0.000 0.961 800 D HN 0.520 nan 8.370 nan 0.000 0.447 801 T N -0.723 113.852 114.554 0.035 0.000 2.867 801 T HA 0.065 4.430 4.350 0.025 0.000 0.268 801 T C 2.672 177.400 174.700 0.046 0.000 1.057 801 T CA 2.866 64.979 62.100 0.022 0.000 1.136 801 T CB -0.456 68.393 68.868 -0.032 0.000 0.874 801 T HN 0.642 nan 8.240 nan 0.000 0.466 802 M N 1.429 121.074 119.600 0.074 0.000 2.117 802 M HA 0.069 4.564 4.480 0.025 0.000 0.262 802 M C 2.467 178.915 176.300 0.248 0.000 1.065 802 M CA 2.542 57.934 55.300 0.153 0.000 1.114 802 M CB -2.048 30.676 32.600 0.207 0.000 1.361 802 M HN 0.614 nan 8.290 nan 0.000 0.408 803 E N -0.178 120.133 120.200 0.185 0.000 2.015 803 E HA -0.150 4.215 4.350 0.025 0.000 0.191 803 E C 2.063 178.759 176.600 0.160 0.000 0.991 803 E CA 2.127 58.636 56.400 0.181 0.000 0.802 803 E CB -1.752 28.019 29.700 0.119 0.000 0.759 803 E HN 0.756 nan 8.360 nan 0.000 0.447 804 T N 0.136 114.760 114.554 0.117 0.000 2.607 804 T HA -0.135 4.230 4.350 0.025 0.000 0.267 804 T C 1.704 176.475 174.700 0.118 0.000 1.049 804 T CA 1.752 63.914 62.100 0.103 0.000 1.162 804 T CB -0.608 68.310 68.868 0.083 0.000 0.863 804 T HN 0.459 nan 8.240 nan 0.000 0.424 805 F N 1.330 121.231 119.950 -0.082 0.000 2.063 805 F HA -0.190 4.352 4.527 0.025 0.000 0.298 805 F C 1.853 177.524 175.800 -0.214 0.000 1.105 805 F CA 1.367 59.249 58.000 -0.196 0.000 1.215 805 F CB -0.960 37.719 39.000 -0.534 0.000 0.972 805 F HN 0.224 nan 8.300 nan 0.000 0.483 806 F N 0.125 119.901 119.950 -0.289 0.000 2.259 806 F HA 0.004 4.546 4.527 0.025 0.000 0.298 806 F C 2.682 178.409 175.800 -0.122 0.000 1.088 806 F CA 0.764 58.506 58.000 -0.429 0.000 1.358 806 F CB -1.111 37.745 39.000 -0.239 0.000 1.040 806 F HN 0.101 nan 8.300 nan 0.000 0.505 807 G N -0.592 108.297 108.800 0.148 0.000 2.440 807 G HA2 -0.261 3.714 3.960 0.025 0.000 0.218 807 G HA3 -0.261 3.714 3.960 0.025 0.000 0.218 807 G C 1.552 176.513 174.900 0.101 0.000 1.154 807 G CA 1.269 46.449 45.100 0.133 0.000 0.767 807 G HN 0.418 nan 8.290 nan 0.000 0.552 808 C N -0.326 119.013 119.300 0.066 0.000 2.466 808 C HA 0.140 4.614 4.460 0.025 0.000 0.278 808 C C 2.550 177.600 174.990 0.101 0.000 1.288 808 C CA 0.188 59.243 59.018 0.062 0.000 1.722 808 C CB -0.961 26.815 27.740 0.060 0.000 2.017 808 C HN 0.357 nan 8.230 nan 0.000 0.488 809 L N 0.981 122.236 121.223 0.054 0.000 2.465 809 L HA -0.041 4.314 4.340 0.025 0.000 0.224 809 L C 2.282 179.374 176.870 0.370 0.000 1.145 809 L CA 1.659 56.574 54.840 0.125 0.000 0.834 809 L CB -0.709 41.150 42.059 -0.333 0.000 0.944 809 L HN 0.345 nan 8.230 nan 0.000 0.451 810 T N -1.935 112.813 114.554 0.324 0.000 2.939 810 T HA -0.082 4.283 4.350 0.025 0.000 0.254 810 T C 1.747 176.488 174.700 0.069 0.000 1.041 810 T CA 0.831 63.095 62.100 0.273 0.000 1.142 810 T CB 0.065 69.091 68.868 0.264 0.000 0.874 810 T HN 0.342 nan 8.240 nan 0.000 0.452 811 Q N 0.471 120.307 119.800 0.059 0.000 2.119 811 Q HA 0.097 4.452 4.340 0.025 0.000 0.201 811 Q C 2.219 178.230 176.000 0.019 0.000 0.972 811 Q CA 1.019 56.826 55.803 0.006 0.000 0.847 811 Q CB -0.290 28.458 28.738 0.016 0.000 0.903 811 Q HN 0.484 nan 8.270 nan 0.000 0.433 812 I N 0.470 121.078 120.570 0.065 0.000 2.567 812 I HA -0.255 3.930 4.170 0.025 0.000 0.257 812 I C 1.979 178.153 176.117 0.094 0.000 1.184 812 I CA 0.865 62.213 61.300 0.080 0.000 1.451 812 I CB -0.159 37.915 38.000 0.123 0.000 1.089 812 I HN 0.248 nan 8.210 nan 0.000 0.441 813 I N 0.790 121.418 120.570 0.096 0.000 2.162 813 I HA -0.256 3.929 4.170 0.025 0.000 0.238 813 I C 2.479 178.613 176.117 0.029 0.000 1.076 813 I CA 1.395 62.749 61.300 0.090 0.000 1.353 813 I CB -0.258 37.794 38.000 0.086 0.000 1.063 813 I HN 0.105 nan 8.210 nan 0.000 0.408 814 K N 1.351 121.722 120.400 -0.049 0.000 2.020 814 K HA -0.168 4.166 4.320 0.025 0.000 0.212 814 K C 1.183 177.776 176.600 -0.011 0.000 1.050 814 K CA 1.629 57.879 56.287 -0.061 0.000 0.929 814 K CB -0.536 31.881 32.500 -0.138 0.000 0.714 814 K HN 0.246 nan 8.250 nan 0.000 0.443 815 K N 1.143 121.540 120.400 -0.005 0.000 2.087 815 K HA 0.357 4.692 4.320 0.025 0.000 0.255 815 K C 0.448 177.065 176.600 0.029 0.000 0.988 815 K CA -0.125 56.168 56.287 0.010 0.000 0.915 815 K CB -0.209 32.294 32.500 0.005 0.000 1.043 815 K HN 0.326 nan 8.250 nan 0.000 0.457 816 I N -0.291 120.300 120.570 0.035 0.000 6.214 816 I HA -0.230 3.955 4.170 0.025 0.000 0.126 816 I C -1.183 174.977 176.117 0.071 0.000 1.821 816 I CA 0.389 61.719 61.300 0.049 0.000 2.045 816 I CB -0.910 37.120 38.000 0.050 0.000 3.452 816 I HN 0.733 nan 8.210 nan 0.000 0.172 817 P HA -0.205 nan 4.420 nan 0.000 0.216 817 P C 1.342 178.717 177.300 0.124 0.000 1.153 817 P CA 1.240 64.398 63.100 0.097 0.000 0.844 817 P CB -0.009 31.739 31.700 0.081 0.000 0.787 818 Q N 0.120 119.980 119.800 0.100 0.000 2.522 818 Q HA -0.092 4.263 4.340 0.025 0.000 0.216 818 Q C 1.873 177.921 176.000 0.080 0.000 0.986 818 Q CA 0.598 56.449 55.803 0.081 0.000 0.901 818 Q CB -0.364 28.405 28.738 0.052 0.000 0.954 818 Q HN 0.062 nan 8.270 nan 0.000 0.502 819 V N 0.229 120.209 119.914 0.111 0.000 2.358 819 V HA -0.282 3.853 4.120 0.025 0.000 0.246 819 V C 2.687 178.902 176.094 0.202 0.000 1.047 819 V CA 1.692 64.076 62.300 0.139 0.000 1.035 819 V CB -0.852 31.059 31.823 0.147 0.000 0.658 819 V HN 0.600 nan 8.190 nan 0.000 0.452 820 L N 0.296 121.653 121.223 0.224 0.000 2.261 820 L HA -0.169 4.186 4.340 0.025 0.000 0.216 820 L C 2.635 179.666 176.870 0.268 0.000 1.114 820 L CA 2.796 57.811 54.840 0.292 0.000 0.777 820 L CB -1.784 40.412 42.059 0.228 0.000 0.910 820 L HN 0.612 nan 8.230 nan 0.000 0.440 821 E N 1.074 121.334 120.200 0.100 0.000 2.153 821 E HA -0.080 4.285 4.350 0.025 0.000 0.194 821 E C 1.233 177.851 176.600 0.030 0.000 0.988 821 E CA 1.057 57.441 56.400 -0.027 0.000 0.811 821 E CB -1.537 28.104 29.700 -0.099 0.000 0.746 821 E HN 1.094 nan 8.360 nan 0.000 0.466 822 D N 0.171 120.645 120.400 0.123 0.000 2.380 822 D HA 0.388 5.043 4.640 0.025 0.000 0.270 822 D C 1.188 177.573 176.300 0.141 0.000 1.363 822 D CA 0.725 54.784 54.000 0.099 0.000 1.057 822 D CB -0.565 40.306 40.800 0.118 0.000 1.096 822 D HN 0.638 nan 8.370 nan 0.000 0.524 823 K N 0.626 120.959 120.400 -0.113 0.000 2.362 823 K HA -0.140 4.195 4.320 0.025 0.000 0.202 823 K C 2.306 178.959 176.600 0.088 0.000 1.045 823 K CA 2.084 58.227 56.287 -0.241 0.000 0.936 823 K CB -1.035 31.269 32.500 -0.327 0.000 0.747 823 K HN 0.610 nan 8.250 nan 0.000 0.467 824 T N 0.411 114.996 114.554 0.053 0.000 2.652 824 T HA 0.075 4.440 4.350 0.025 0.000 0.267 824 T C 1.776 176.479 174.700 0.004 0.000 1.039 824 T CA 1.249 63.371 62.100 0.037 0.000 1.153 824 T CB -1.304 67.577 68.868 0.023 0.000 0.863 824 T HN 0.824 nan 8.240 nan 0.000 0.428 825 L N 1.413 122.606 121.223 -0.051 0.000 2.653 825 L HA 0.550 4.905 4.340 0.025 0.000 0.288 825 L C 0.877 177.435 176.870 -0.521 0.000 1.243 825 L CA -0.175 54.493 54.840 -0.288 0.000 0.906 825 L CB -1.501 40.320 42.059 -0.396 0.000 1.154 825 L HN 0.544 nan 8.230 nan 0.000 0.498 826 A N 2.980 125.628 122.820 -0.288 0.000 2.506 826 A HA 0.571 4.906 4.320 0.025 0.000 0.320 826 A C 0.600 178.109 177.584 -0.125 0.000 1.424 826 A CA -0.346 51.605 52.037 -0.143 0.000 1.044 826 A CB -0.513 18.480 19.000 -0.012 0.000 1.140 826 A HN 0.931 nan 8.150 nan 0.000 0.538 827 Y N 1.075 121.485 120.300 0.182 0.000 2.243 827 Y HA -0.037 4.528 4.550 0.025 0.000 0.293 827 Y C 2.584 178.541 175.900 0.095 0.000 1.124 827 Y CA 1.440 59.628 58.100 0.147 0.000 1.159 827 Y CB -0.611 37.948 38.460 0.166 0.000 1.008 827 Y HN 0.636 nan 8.280 nan 0.000 0.527 828 D N 0.494 121.033 120.400 0.232 0.000 2.172 828 D HA -0.217 4.438 4.640 0.025 0.000 0.196 828 D C 2.297 178.663 176.300 0.110 0.000 0.999 828 D CA 1.899 55.978 54.000 0.131 0.000 0.856 828 D CB -0.740 40.094 40.800 0.058 0.000 0.934 828 D HN 0.178 nan 8.370 nan 0.000 0.453 829 R N -0.934 119.592 120.500 0.044 0.000 2.062 829 R HA 0.107 4.462 4.340 0.025 0.000 0.231 829 R C 2.827 179.371 176.300 0.407 0.000 1.136 829 R CA 1.032 57.127 56.100 -0.009 0.000 0.948 829 R CB -1.167 28.823 30.300 -0.516 0.000 0.845 829 R HN 0.677 nan 8.270 nan 0.000 0.430 830 L N 0.032 121.514 121.223 0.432 0.000 1.963 830 L HA -0.251 4.104 4.340 0.025 0.000 0.220 830 L C 2.559 179.739 176.870 0.516 0.000 1.076 830 L CA 2.052 57.208 54.840 0.526 0.000 0.772 830 L CB -0.967 41.305 42.059 0.356 0.000 0.892 830 L HN 0.153 nan 8.230 nan 0.000 0.435 831 V N -0.705 119.403 119.914 0.322 0.000 2.392 831 V HA -0.328 3.807 4.120 0.025 0.000 0.249 831 V C 2.252 178.503 176.094 0.261 0.000 1.059 831 V CA 1.874 64.300 62.300 0.210 0.000 1.051 831 V CB -0.745 31.121 31.823 0.072 0.000 0.658 831 V HN 0.283 nan 8.190 nan 0.000 0.455 832 F N 0.545 120.581 119.950 0.144 0.000 2.045 832 F HA -0.289 4.253 4.527 0.025 0.000 0.297 832 F C 2.241 178.044 175.800 0.006 0.000 1.114 832 F CA 2.147 60.152 58.000 0.009 0.000 1.207 832 F CB -0.573 38.373 39.000 -0.090 0.000 0.964 832 F HN 0.228 nan 8.300 nan 0.000 0.486 833 Y N -0.504 119.975 120.300 0.299 0.000 2.286 833 Y HA 0.090 4.655 4.550 0.025 0.000 0.293 833 Y C 2.487 178.547 175.900 0.266 0.000 1.124 833 Y CA 0.698 58.962 58.100 0.274 0.000 1.178 833 Y CB -1.530 37.179 38.460 0.415 0.000 1.010 833 Y HN 0.108 nan 8.280 nan 0.000 0.536 834 A N 0.350 123.404 122.820 0.390 0.000 1.940 834 A HA -0.268 4.067 4.320 0.025 0.000 0.219 834 A C 2.042 179.531 177.584 -0.158 0.000 1.176 834 A CA 1.886 53.757 52.037 -0.276 0.000 0.631 834 A CB -0.666 18.049 19.000 -0.475 0.000 0.814 834 A HN 0.580 nan 8.150 nan 0.000 0.446 835 Q N -1.123 118.647 119.800 -0.049 0.000 2.297 835 Q HA -0.032 4.323 4.340 0.025 0.000 0.204 835 Q C 2.274 178.251 176.000 -0.040 0.000 0.962 835 Q CA 0.804 56.575 55.803 -0.054 0.000 0.879 835 Q CB -0.073 28.623 28.738 -0.069 0.000 0.947 835 Q HN 0.591 nan 8.270 nan 0.000 0.462 836 R N 0.315 120.795 120.500 -0.034 0.000 2.057 836 R HA -0.067 4.288 4.340 0.025 0.000 0.229 836 R C 2.421 178.748 176.300 0.044 0.000 1.136 836 R CA 1.210 57.298 56.100 -0.020 0.000 0.952 836 R CB -0.584 29.694 30.300 -0.037 0.000 0.848 836 R HN 0.346 nan 8.270 nan 0.000 0.430 837 G N 2.028 110.888 108.800 0.100 0.000 2.556 837 G HA2 -0.346 3.629 3.960 0.025 0.000 0.220 837 G HA3 -0.346 3.629 3.960 0.025 0.000 0.220 837 G C 1.529 176.467 174.900 0.064 0.000 1.156 837 G CA 1.620 46.790 45.100 0.118 0.000 0.766 837 G HN 0.305 nan 8.290 nan 0.000 0.583 838 M N -0.051 119.560 119.600 0.018 0.000 2.106 838 M HA -0.053 4.442 4.480 0.025 0.000 0.259 838 M C 1.894 178.289 176.300 0.159 0.000 1.068 838 M CA 1.842 57.167 55.300 0.042 0.000 1.100 838 M CB -1.158 31.465 32.600 0.038 0.000 1.351 838 M HN 0.008 nan 8.290 nan 0.000 0.404 839 T N 1.700 116.322 114.554 0.114 0.000 3.380 839 T HA 0.466 4.831 4.350 0.025 0.000 0.250 839 T C 0.685 175.426 174.700 0.069 0.000 1.082 839 T CA 0.090 62.245 62.100 0.091 0.000 0.968 839 T CB -1.391 67.501 68.868 0.041 0.000 1.027 839 T HN 0.360 nan 8.240 nan 0.000 0.575 840 L N 0.799 122.071 121.223 0.081 0.000 2.567 840 L HA 0.974 5.329 4.340 0.025 0.000 0.238 840 L C -0.985 175.925 176.870 0.067 0.000 1.168 840 L CA -1.109 53.773 54.840 0.071 0.000 0.817 840 L CB -1.143 40.964 42.059 0.081 0.000 1.409 840 L HN 0.096 nan 8.230 nan 0.000 0.502 841 P HA 0.510 nan 4.420 nan 0.000 0.282 841 P C 0.149 177.481 177.300 0.053 0.000 1.327 841 P CA 1.080 64.210 63.100 0.050 0.000 0.949 841 P CB -0.088 31.636 31.700 0.039 0.000 1.445 842 E N -0.770 119.466 120.200 0.060 0.000 2.313 842 E HA 0.596 4.961 4.350 0.025 0.000 0.276 842 E C 1.521 178.157 176.600 0.060 0.000 1.031 842 E CA 0.334 56.768 56.400 0.057 0.000 0.857 842 E CB 0.172 29.909 29.700 0.062 0.000 1.040 842 E HN 0.330 nan 8.360 nan 0.000 0.408 843 S N 0.632 116.364 115.700 0.053 0.000 2.423 843 S HA 0.151 4.636 4.470 0.025 0.000 0.231 843 S C 1.921 176.555 174.600 0.056 0.000 1.014 843 S CA 1.915 60.148 58.200 0.055 0.000 0.965 843 S CB 0.174 63.402 63.200 0.047 0.000 0.785 843 S HN 1.024 nan 8.310 nan 0.000 0.495 844 G N -0.634 108.196 108.800 0.051 0.000 2.692 844 G HA2 0.430 4.405 3.960 0.025 0.000 0.201 844 G HA3 0.430 4.405 3.960 0.025 0.000 0.201 844 G C 1.398 176.323 174.900 0.041 0.000 1.063 844 G CA 0.906 46.032 45.100 0.044 0.000 0.790 844 G HN 0.649 nan 8.290 nan 0.000 0.599 845 A N 1.120 123.973 122.820 0.055 0.000 2.139 845 A HA 0.007 4.342 4.320 0.025 0.000 0.221 845 A C 2.158 179.773 177.584 0.053 0.000 1.159 845 A CA 1.003 53.083 52.037 0.072 0.000 0.662 845 A CB -0.463 18.592 19.000 0.092 0.000 0.796 845 A HN 0.417 nan 8.150 nan 0.000 0.463 846 I N -0.590 119.990 120.570 0.018 0.000 2.493 846 I HA -0.233 3.951 4.170 0.025 0.000 0.254 846 I C 2.625 178.650 176.117 -0.153 0.000 1.160 846 I CA 1.443 62.710 61.300 -0.054 0.000 1.445 846 I CB -0.397 37.579 38.000 -0.040 0.000 1.086 846 I HN 0.519 nan 8.210 nan 0.000 0.433 847 R N 1.729 122.172 120.500 -0.095 0.000 2.092 847 R HA -0.150 4.205 4.340 0.025 0.000 0.231 847 R C 1.626 177.897 176.300 -0.048 0.000 1.119 847 R CA 1.823 57.862 56.100 -0.101 0.000 0.970 847 R CB -0.552 29.727 30.300 -0.035 0.000 0.864 847 R HN 0.431 nan 8.270 nan 0.000 0.440 848 N N 0.303 119.012 118.700 0.014 0.000 2.058 848 N HA -0.136 4.619 4.740 0.025 0.000 0.191 848 N C 1.814 177.346 175.510 0.037 0.000 1.037 848 N CA 1.918 55.020 53.050 0.086 0.000 0.848 848 N CB -0.072 38.511 38.487 0.161 0.000 1.021 848 N HN 0.197 nan 8.380 nan 0.000 0.422 849 S N 1.180 116.819 115.700 -0.102 0.000 2.359 849 S HA -0.139 4.346 4.470 0.025 0.000 0.223 849 S C 2.051 176.522 174.600 -0.215 0.000 1.039 849 S CA 0.974 58.921 58.200 -0.423 0.000 1.042 849 S CB -0.422 62.558 63.200 -0.367 0.000 0.915 849 S HN 0.245 nan 8.310 nan 0.000 0.439 850 I N 1.824 122.280 120.570 -0.190 0.000 2.099 850 I HA -0.298 3.887 4.170 0.025 0.000 0.239 850 I C 3.352 179.423 176.117 -0.076 0.000 1.066 850 I CA 1.872 63.064 61.300 -0.180 0.000 1.324 850 I CB -1.111 36.692 38.000 -0.327 0.000 1.037 850 I HN 0.438 nan 8.210 nan 0.000 0.401 851 Q N 0.594 120.379 119.800 -0.024 0.000 2.112 851 Q HA -0.318 4.037 4.340 0.025 0.000 0.206 851 Q C 2.010 178.094 176.000 0.140 0.000 0.987 851 Q CA 2.347 58.187 55.803 0.062 0.000 0.858 851 Q CB -1.672 27.136 28.738 0.117 0.000 0.905 851 Q HN 0.610 nan 8.270 nan 0.000 0.420 852 F N 0.673 120.631 119.950 0.014 0.000 2.046 852 F HA -0.123 4.419 4.527 0.025 0.000 0.297 852 F C 2.144 177.986 175.800 0.069 0.000 1.123 852 F CA 1.990 60.019 58.000 0.049 0.000 1.199 852 F CB -0.398 38.563 39.000 -0.065 0.000 0.972 852 F HN 0.252 nan 8.300 nan 0.000 0.474 853 L N -0.208 120.965 121.223 -0.084 0.000 2.043 853 L HA -0.285 4.070 4.340 0.025 0.000 0.212 853 L C 2.333 179.162 176.870 -0.069 0.000 1.075 853 L CA 1.987 56.757 54.840 -0.117 0.000 0.752 853 L CB -1.301 40.745 42.059 -0.022 0.000 0.891 853 L HN 0.223 nan 8.230 nan 0.000 0.432 854 T N -2.315 112.194 114.554 -0.075 0.000 2.759 854 T HA -0.211 4.154 4.350 0.025 0.000 0.269 854 T C 1.708 176.310 174.700 -0.164 0.000 1.042 854 T CA 1.229 63.262 62.100 -0.111 0.000 1.140 854 T CB -0.322 68.444 68.868 -0.170 0.000 0.864 854 T HN 0.362 nan 8.240 nan 0.000 0.455 855 H N -0.910 118.114 119.070 -0.077 0.000 2.551 855 H HA 0.225 4.795 4.556 0.025 0.000 0.266 855 H C 1.740 177.016 175.328 -0.086 0.000 0.964 855 H CA 0.198 56.202 56.048 -0.074 0.000 1.180 855 H CB -0.069 29.654 29.762 -0.065 0.000 1.408 855 H HN 0.385 nan 8.280 nan 0.000 0.563 856 F N 0.915 120.735 119.950 -0.217 0.000 2.147 856 F HA -0.104 4.438 4.527 0.025 0.000 0.291 856 F C 2.173 177.918 175.800 -0.092 0.000 1.093 856 F CA 0.620 58.481 58.000 -0.231 0.000 1.263 856 F CB -0.538 38.227 39.000 -0.392 0.000 1.036 856 F HN -0.187 nan 8.300 nan 0.000 0.481 857 V N 1.193 121.151 119.914 0.072 0.000 2.439 857 V HA -0.381 3.754 4.120 0.025 0.000 0.253 857 V C 2.440 178.553 176.094 0.032 0.000 1.074 857 V CA 1.779 64.122 62.300 0.073 0.000 1.076 857 V CB -0.830 31.073 31.823 0.133 0.000 0.664 857 V HN 0.380 nan 8.190 nan 0.000 0.461 858 M N 0.017 119.603 119.600 -0.024 0.000 2.066 858 M HA -0.186 4.309 4.480 0.025 0.000 0.259 858 M C 2.628 178.870 176.300 -0.097 0.000 1.074 858 M CA 2.663 57.938 55.300 -0.042 0.000 1.114 858 M CB -1.552 31.044 32.600 -0.006 0.000 1.306 858 M HN 0.548 nan 8.290 nan 0.000 0.411 859 Q N -0.509 119.214 119.800 -0.129 0.000 2.172 859 Q HA -0.060 4.295 4.340 0.025 0.000 0.200 859 Q C 2.235 178.064 176.000 -0.284 0.000 0.964 859 Q CA 1.928 57.619 55.803 -0.187 0.000 0.855 859 Q CB -1.304 27.363 28.738 -0.118 0.000 0.918 859 Q HN 0.558 nan 8.270 nan 0.000 0.444 860 S N -0.372 115.105 115.700 -0.371 0.000 2.400 860 S HA -0.147 4.338 4.470 0.025 0.000 0.232 860 S C 2.337 176.862 174.600 -0.125 0.000 1.025 860 S CA 1.611 59.585 58.200 -0.377 0.000 0.993 860 S CB -0.363 62.524 63.200 -0.521 0.000 0.808 860 S HN 0.888 nan 8.310 nan 0.000 0.478 861 R N 0.327 120.757 120.500 -0.117 0.000 2.316 861 R HA 0.131 4.486 4.340 0.025 0.000 0.202 861 R C 1.548 177.719 176.300 -0.215 0.000 1.029 861 R CA 1.593 57.564 56.100 -0.216 0.000 1.018 861 R CB -2.135 27.966 30.300 -0.332 0.000 0.888 861 R HN 0.750 nan 8.270 nan 0.000 0.471 862 N N 0.024 118.563 118.700 -0.269 0.000 2.220 862 N HA 0.113 4.868 4.740 0.025 0.000 0.195 862 N C -0.028 175.227 175.510 -0.425 0.000 1.123 862 N CA -0.057 52.773 53.050 -0.367 0.000 0.874 862 N CB 0.336 38.534 38.487 -0.482 0.000 0.995 862 N HN 0.585 nan 8.380 nan 0.000 0.498 863 H N -0.836 118.191 119.070 -0.073 0.000 3.013 863 H HA 0.624 5.195 4.556 0.025 0.000 0.326 863 H C 1.012 176.319 175.328 -0.035 0.000 0.973 863 H CA -0.483 55.542 56.048 -0.037 0.000 1.369 863 H CB 1.483 31.227 29.762 -0.030 0.000 1.598 863 H HN 0.235 nan 8.280 nan 0.000 0.518 864 A N 2.714 125.613 122.820 0.133 0.000 1.903 864 A HA -0.334 4.001 4.320 0.025 0.000 0.219 864 A C 2.186 179.828 177.584 0.096 0.000 1.191 864 A CA 2.457 54.551 52.037 0.095 0.000 0.638 864 A CB -0.785 18.271 19.000 0.094 0.000 0.823 864 A HN 0.886 nan 8.150 nan 0.000 0.451 865 H N -0.115 118.981 119.070 0.043 0.000 2.267 865 H HA -0.193 4.378 4.556 0.025 0.000 0.291 865 H C 1.866 177.183 175.328 -0.018 0.000 1.094 865 H CA 3.474 59.537 56.048 0.025 0.000 1.227 865 H CB -0.785 28.983 29.762 0.011 0.000 1.351 865 H HN 0.329 nan 8.280 nan 0.000 0.483 866 V N -0.228 119.325 119.914 -0.601 0.000 2.453 866 V HA -0.169 3.966 4.120 0.025 0.000 0.247 866 V C 2.519 178.404 176.094 -0.350 0.000 1.048 866 V CA 2.612 64.464 62.300 -0.746 0.000 1.049 866 V CB -1.097 30.252 31.823 -0.790 0.000 0.672 866 V HN 0.624 nan 8.190 nan 0.000 0.457 867 T N 0.639 115.093 114.554 -0.167 0.000 2.721 867 T HA -0.187 4.178 4.350 0.025 0.000 0.268 867 T C 2.148 176.862 174.700 0.023 0.000 1.038 867 T CA 2.615 64.712 62.100 -0.005 0.000 1.145 867 T CB -0.515 68.412 68.868 0.100 0.000 0.858 867 T HN 0.975 nan 8.240 nan 0.000 0.459 868 E N 1.216 121.426 120.200 0.015 0.000 2.035 868 E HA -0.205 4.160 4.350 0.025 0.000 0.204 868 E C 2.439 179.072 176.600 0.056 0.000 1.025 868 E CA 1.967 58.398 56.400 0.050 0.000 0.835 868 E CB -1.477 28.262 29.700 0.065 0.000 0.764 868 E HN 0.414 nan 8.360 nan 0.000 0.457 869 V N 0.816 120.773 119.914 0.072 0.000 2.277 869 V HA -0.322 3.813 4.120 0.025 0.000 0.253 869 V C 2.673 178.848 176.094 0.135 0.000 1.067 869 V CA 2.157 64.544 62.300 0.146 0.000 1.047 869 V CB -0.879 31.112 31.823 0.280 0.000 0.649 869 V HN 0.498 nan 8.190 nan 0.000 0.447 870 V N -0.265 119.739 119.914 0.150 0.000 2.287 870 V HA -0.280 3.855 4.120 0.025 0.000 0.248 870 V C 2.323 178.364 176.094 -0.089 0.000 1.053 870 V CA 2.315 64.638 62.300 0.039 0.000 1.027 870 V CB -0.575 31.169 31.823 -0.131 0.000 0.646 870 V HN 0.470 nan 8.190 nan 0.000 0.447 871 L N 0.124 121.327 121.223 -0.033 0.000 2.013 871 L HA -0.226 4.129 4.340 0.025 0.000 0.212 871 L C 2.729 179.544 176.870 -0.091 0.000 1.073 871 L CA 1.890 56.749 54.840 0.032 0.000 0.753 871 L CB -0.968 41.153 42.059 0.104 0.000 0.890 871 L HN 0.365 nan 8.230 nan 0.000 0.432 872 A N -0.553 122.228 122.820 -0.065 0.000 1.877 872 A HA -0.176 4.159 4.320 0.025 0.000 0.216 872 A C 2.296 179.767 177.584 -0.188 0.000 1.186 872 A CA 2.269 54.249 52.037 -0.095 0.000 0.620 872 A CB -0.965 18.022 19.000 -0.022 0.000 0.822 872 A HN 0.393 nan 8.150 nan 0.000 0.443 873 T N 0.142 114.604 114.554 -0.154 0.000 3.113 873 T HA 0.141 4.506 4.350 0.025 0.000 0.263 873 T C 1.714 176.198 174.700 -0.360 0.000 1.143 873 T CA 0.693 62.688 62.100 -0.175 0.000 1.090 873 T CB -0.431 68.397 68.868 -0.065 0.000 0.922 873 T HN 0.607 nan 8.240 nan 0.000 0.521 874 G N 2.072 110.485 108.800 -0.645 0.000 2.838 874 G HA2 -0.338 3.637 3.960 0.025 0.000 0.215 874 G HA3 -0.338 3.637 3.960 0.025 0.000 0.215 874 G C 1.649 175.766 174.900 -1.305 0.000 1.327 874 G CA 1.604 45.822 45.100 -1.469 0.000 0.802 874 G HN 0.573 nan 8.290 nan 0.000 0.658 875 E N -0.447 118.820 120.200 -1.554 0.000 2.265 875 E HA -0.118 4.247 4.350 0.025 0.000 0.196 875 E C 2.303 178.704 176.600 -0.331 0.000 0.996 875 E CA 1.889 57.856 56.400 -0.722 0.000 0.832 875 E CB -0.532 28.812 29.700 -0.594 0.000 0.756 875 E HN 0.584 nan 8.360 nan 0.000 0.491 876 Q N 0.071 119.673 119.800 -0.330 0.000 2.050 876 Q HA -0.096 4.259 4.340 0.025 0.000 0.202 876 Q C 2.379 178.306 176.000 -0.121 0.000 0.980 876 Q CA 2.441 58.136 55.803 -0.180 0.000 0.840 876 Q CB -0.721 27.924 28.738 -0.154 0.000 0.898 876 Q HN 0.539 nan 8.270 nan 0.000 0.424 877 T N 0.543 115.023 114.554 -0.123 0.000 2.588 877 T HA -0.134 4.231 4.350 0.025 0.000 0.261 877 T C 1.686 176.387 174.700 0.001 0.000 1.069 877 T CA 1.520 63.592 62.100 -0.047 0.000 1.172 877 T CB -0.506 68.344 68.868 -0.030 0.000 0.863 877 T HN 0.218 nan 8.240 nan 0.000 0.408 878 L N 0.430 121.666 121.223 0.021 0.000 2.197 878 L HA -0.190 4.165 4.340 0.025 0.000 0.215 878 L C 2.872 179.766 176.870 0.041 0.000 1.095 878 L CA 2.237 57.121 54.840 0.074 0.000 0.764 878 L CB -1.008 41.139 42.059 0.146 0.000 0.897 878 L HN 0.560 nan 8.230 nan 0.000 0.436 879 Y N -1.142 119.157 120.300 -0.002 0.000 2.153 879 Y HA -0.238 4.327 4.550 0.025 0.000 0.289 879 Y C 2.810 178.703 175.900 -0.011 0.000 1.127 879 Y CA 2.033 60.125 58.100 -0.014 0.000 1.131 879 Y CB -1.457 36.977 38.460 -0.043 0.000 0.995 879 Y HN 0.212 nan 8.280 nan 0.000 0.505 880 T N 0.251 114.799 114.554 -0.011 0.000 2.737 880 T HA -0.137 4.227 4.350 0.025 0.000 0.269 880 T C 2.398 177.129 174.700 0.051 0.000 1.040 880 T CA 1.860 63.964 62.100 0.007 0.000 1.142 880 T CB -0.838 68.034 68.868 0.006 0.000 0.861 880 T HN 0.746 nan 8.240 nan 0.000 0.456 881 A N 1.852 124.724 122.820 0.087 0.000 1.858 881 A HA -0.057 4.278 4.320 0.025 0.000 0.216 881 A C 2.284 179.833 177.584 -0.059 0.000 1.190 881 A CA 1.468 53.588 52.037 0.140 0.000 0.617 881 A CB -0.560 18.558 19.000 0.196 0.000 0.827 881 A HN 0.320 nan 8.150 nan 0.000 0.443 882 M N -1.093 118.488 119.600 -0.032 0.000 2.279 882 M HA -0.053 4.441 4.480 0.025 0.000 0.264 882 M C 2.188 178.432 176.300 -0.093 0.000 1.062 882 M CA 1.222 56.483 55.300 -0.065 0.000 1.099 882 M CB -1.274 31.314 32.600 -0.021 0.000 1.394 882 M HN 0.472 nan 8.290 nan 0.000 0.426 883 M N -0.736 118.818 119.600 -0.077 0.000 2.077 883 M HA -0.225 4.270 4.480 0.025 0.000 0.261 883 M C 2.357 178.589 176.300 -0.114 0.000 1.070 883 M CA 1.558 56.814 55.300 -0.074 0.000 1.125 883 M CB -0.252 32.319 32.600 -0.048 0.000 1.339 883 M HN 0.316 nan 8.290 nan 0.000 0.409 884 C N -0.654 118.549 119.300 -0.161 0.000 2.432 884 C HA -0.097 4.378 4.460 0.025 0.000 0.277 884 C C 2.609 177.377 174.990 -0.370 0.000 1.249 884 C CA 0.480 59.355 59.018 -0.237 0.000 1.725 884 C CB -0.935 26.652 27.740 -0.254 0.000 2.028 884 C HN 0.389 nan 8.230 nan 0.000 0.477 885 V N 0.826 120.430 119.914 -0.515 0.000 2.794 885 V HA -0.077 4.058 4.120 0.025 0.000 0.260 885 V C 2.095 178.065 176.094 -0.208 0.000 1.103 885 V CA 2.314 64.360 62.300 -0.424 0.000 1.125 885 V CB -0.904 30.711 31.823 -0.347 0.000 0.702 885 V HN 0.776 nan 8.190 nan 0.000 0.494 886 G N -2.648 106.059 108.800 -0.155 0.000 2.799 886 G HA2 0.035 4.010 3.960 0.025 0.000 0.201 886 G HA3 0.035 4.010 3.960 0.025 0.000 0.201 886 G C 0.881 175.740 174.900 -0.068 0.000 1.142 886 G CA 0.835 45.881 45.100 -0.091 0.000 0.910 886 G HN 0.525 nan 8.290 nan 0.000 0.710 887 Y N -3.081 117.175 120.300 -0.074 0.000 2.441 887 Y HA 0.565 5.130 4.550 0.025 0.000 0.266 887 Y C 1.537 177.413 175.900 -0.040 0.000 1.093 887 Y CA 0.283 58.355 58.100 -0.047 0.000 1.246 887 Y CB -0.171 38.266 38.460 -0.037 0.000 1.262 887 Y HN 0.097 nan 8.280 nan 0.000 0.518 888 L N 0.676 121.866 121.223 -0.054 0.000 2.730 888 L HA 0.515 4.870 4.340 0.025 0.000 0.236 888 L C 0.632 177.492 176.870 -0.016 0.000 1.061 888 L CA 1.129 55.952 54.840 -0.029 0.000 0.898 888 L CB 0.472 42.519 42.059 -0.020 0.000 1.270 888 L HN 0.290 nan 8.230 nan 0.000 0.500 889 T N 3.710 118.236 114.554 -0.047 0.000 2.851 889 T HA 0.269 4.634 4.350 0.025 0.000 0.298 889 T C -2.474 172.228 174.700 0.004 0.000 0.977 889 T CA -1.110 60.988 62.100 -0.003 0.000 1.126 889 T CB 0.918 69.739 68.868 -0.078 0.000 0.916 889 T HN 0.048 nan 8.240 nan 0.000 0.529 890 P HA 0.027 nan 4.420 nan 0.000 0.267 890 P C 0.796 178.113 177.300 0.027 0.000 1.195 890 P CA -0.010 63.111 63.100 0.035 0.000 0.773 890 P CB 0.640 32.369 31.700 0.049 0.000 0.837 891 R N 1.773 122.284 120.500 0.018 0.000 2.133 891 R HA -0.199 4.156 4.340 0.025 0.000 0.247 891 R C 2.476 178.792 176.300 0.026 0.000 1.151 891 R CA 2.305 58.412 56.100 0.013 0.000 0.971 891 R CB -1.297 29.011 30.300 0.013 0.000 0.866 891 R HN 0.626 nan 8.270 nan 0.000 0.447 892 S N 1.765 117.490 115.700 0.040 0.000 2.395 892 S HA -0.137 4.348 4.470 0.025 0.000 0.225 892 S C 1.815 176.461 174.600 0.078 0.000 1.027 892 S CA 0.696 58.926 58.200 0.051 0.000 0.965 892 S CB -0.139 63.089 63.200 0.046 0.000 0.812 892 S HN 0.476 nan 8.310 nan 0.000 0.482 893 Q N 0.958 120.822 119.800 0.106 0.000 2.291 893 Q HA 0.295 4.650 4.340 0.025 0.000 0.211 893 Q C 0.818 176.996 176.000 0.296 0.000 0.925 893 Q CA 0.133 56.042 55.803 0.177 0.000 0.949 893 Q CB -0.268 28.587 28.738 0.195 0.000 1.015 893 Q HN 0.323 nan 8.270 nan 0.000 0.477 894 V N 0.838 120.854 119.914 0.169 0.000 2.379 894 V HA -0.217 3.918 4.120 0.025 0.000 0.245 894 V C 2.044 178.292 176.094 0.257 0.000 1.044 894 V CA 2.027 64.398 62.300 0.119 0.000 1.036 894 V CB -0.370 31.451 31.823 -0.002 0.000 0.664 894 V HN 0.521 nan 8.190 nan 0.000 0.453 895 D N 0.745 121.251 120.400 0.178 0.000 2.182 895 D HA -0.196 4.459 4.640 0.025 0.000 0.201 895 D C 2.025 178.432 176.300 0.179 0.000 0.986 895 D CA 1.139 55.228 54.000 0.149 0.000 0.847 895 D CB -0.119 40.733 40.800 0.086 0.000 0.942 895 D HN 0.423 nan 8.370 nan 0.000 0.467 896 K N -0.801 119.714 120.400 0.192 0.000 2.520 896 K HA -0.130 4.205 4.320 0.025 0.000 0.197 896 K C 1.446 178.003 176.600 -0.072 0.000 1.043 896 K CA 0.476 56.785 56.287 0.036 0.000 0.944 896 K CB -0.126 32.343 32.500 -0.052 0.000 0.770 896 K HN 0.259 nan 8.250 nan 0.000 0.480 897 F N 0.113 120.072 119.950 0.015 0.000 2.656 897 F HA 0.170 4.712 4.527 0.025 0.000 0.291 897 F C 2.220 178.030 175.800 0.016 0.000 1.122 897 F CA -0.007 58.002 58.000 0.014 0.000 1.427 897 F CB -0.263 38.745 39.000 0.014 0.000 1.125 897 F HN -0.081 nan 8.300 nan 0.000 0.583 898 A N -0.246 122.689 122.820 0.192 0.000 2.234 898 A HA -0.161 4.173 4.320 0.025 0.000 0.216 898 A C 1.910 179.535 177.584 0.068 0.000 1.167 898 A CA 1.683 53.791 52.037 0.118 0.000 0.698 898 A CB -0.653 18.403 19.000 0.093 0.000 0.779 898 A HN 0.254 nan 8.150 nan 0.000 0.475 899 D N 0.229 120.652 120.400 0.039 0.000 2.120 899 D HA -0.104 4.551 4.640 0.025 0.000 0.202 899 D C 2.069 178.363 176.300 -0.009 0.000 0.972 899 D CA 1.693 55.690 54.000 -0.006 0.000 0.837 899 D CB -0.231 40.544 40.800 -0.042 0.000 0.989 899 D HN 0.707 nan 8.370 nan 0.000 0.469 900 I N -1.095 119.478 120.570 0.005 0.000 2.286 900 I HA -0.147 4.038 4.170 0.025 0.000 0.245 900 I C 2.334 178.488 176.117 0.061 0.000 1.104 900 I CA 0.888 62.200 61.300 0.021 0.000 1.397 900 I CB -0.647 37.369 38.000 0.026 0.000 1.072 900 I HN -0.113 nan 8.210 nan 0.000 0.417 901 L N 1.478 122.751 121.223 0.084 0.000 2.191 901 L HA -0.193 4.162 4.340 0.025 0.000 0.212 901 L C 3.223 180.135 176.870 0.070 0.000 1.103 901 L CA 1.459 56.355 54.840 0.093 0.000 0.769 901 L CB -0.946 41.173 42.059 0.100 0.000 0.908 901 L HN 0.503 nan 8.230 nan 0.000 0.438 902 L N -1.035 120.218 121.223 0.051 0.000 2.127 902 L HA 0.197 4.552 4.340 0.025 0.000 0.203 902 L C 2.784 179.669 176.870 0.026 0.000 1.080 902 L CA 1.732 56.591 54.840 0.033 0.000 0.768 902 L CB -1.759 40.312 42.059 0.019 0.000 0.924 902 L HN 0.291 nan 8.230 nan 0.000 0.444 903 A N -1.312 121.519 122.820 0.018 0.000 2.125 903 A HA -0.093 4.242 4.320 0.025 0.000 0.219 903 A C 2.286 179.921 177.584 0.085 0.000 1.156 903 A CA 1.798 53.845 52.037 0.016 0.000 0.671 903 A CB -0.496 18.493 19.000 -0.019 0.000 0.794 903 A HN 0.647 nan 8.150 nan 0.000 0.459 904 M N -1.115 118.551 119.600 0.109 0.000 2.510 904 M HA 0.021 4.516 4.480 0.025 0.000 0.256 904 M C 1.633 178.016 176.300 0.137 0.000 1.132 904 M CA 0.595 56.003 55.300 0.179 0.000 1.105 904 M CB -0.325 32.384 32.600 0.181 0.000 1.375 904 M HN 0.460 nan 8.290 nan 0.000 0.477 905 N N 1.138 119.878 118.700 0.067 0.000 2.395 905 N HA -0.032 4.723 4.740 0.025 0.000 0.175 905 N C 1.823 177.329 175.510 -0.006 0.000 1.029 905 N CA 1.210 54.272 53.050 0.020 0.000 0.897 905 N CB 0.110 38.602 38.487 0.009 0.000 0.991 905 N HN 0.295 nan 8.380 nan 0.000 0.441 906 R N 0.487 120.984 120.500 -0.005 0.000 2.119 906 R HA 0.100 4.455 4.340 0.025 0.000 0.222 906 R C 2.229 178.473 176.300 -0.094 0.000 1.088 906 R CA 1.810 57.884 56.100 -0.042 0.000 0.984 906 R CB -1.333 28.946 30.300 -0.036 0.000 0.884 906 R HN 0.470 nan 8.270 nan 0.000 0.447 907 K N -1.177 119.165 120.400 -0.098 0.000 2.365 907 K HA 0.299 4.634 4.320 0.025 0.000 0.195 907 K C 0.342 176.565 176.600 -0.627 0.000 1.079 907 K CA 0.744 56.826 56.287 -0.340 0.000 0.979 907 K CB 0.181 32.496 32.500 -0.308 0.000 0.929 907 K HN 0.618 nan 8.250 nan 0.000 0.523 908 Y N -0.458 119.796 120.300 -0.076 0.000 2.555 908 Y HA 0.529 5.094 4.550 0.025 0.000 0.317 908 Y C 1.611 177.395 175.900 -0.194 0.000 0.928 908 Y CA -1.073 56.947 58.100 -0.134 0.000 1.116 908 Y CB 0.254 38.638 38.460 -0.126 0.000 1.169 908 Y HN 0.137 nan 8.280 nan 0.000 0.627 909 A N 0.930 123.711 122.820 -0.064 0.000 1.873 909 A HA -0.200 4.135 4.320 0.025 0.000 0.218 909 A C 2.419 179.921 177.584 -0.138 0.000 1.193 909 A CA 2.475 54.462 52.037 -0.084 0.000 0.629 909 A CB -0.887 18.067 19.000 -0.076 0.000 0.826 909 A HN 0.608 nan 8.150 nan 0.000 0.447 910 A N -0.764 121.970 122.820 -0.143 0.000 1.873 910 A HA -0.156 4.179 4.320 0.025 0.000 0.218 910 A C 2.033 179.440 177.584 -0.295 0.000 1.193 910 A CA 2.305 54.242 52.037 -0.168 0.000 0.629 910 A CB -0.995 17.930 19.000 -0.126 0.000 0.826 910 A HN 0.506 nan 8.150 nan 0.000 0.447 911 E N -1.011 118.935 120.200 -0.424 0.000 2.031 911 E HA -0.238 4.127 4.350 0.025 0.000 0.193 911 E C 2.132 177.950 176.600 -1.303 0.000 0.994 911 E CA 1.342 57.172 56.400 -0.950 0.000 0.800 911 E CB -0.674 28.338 29.700 -1.148 0.000 0.752 911 E HN 0.732 nan 8.360 nan 0.000 0.447 912 M N 0.173 119.273 119.600 -0.833 0.000 2.202 912 M HA -0.157 4.338 4.480 0.025 0.000 0.262 912 M C 2.319 178.494 176.300 -0.208 0.000 1.063 912 M CA 1.899 56.970 55.300 -0.382 0.000 1.097 912 M CB -0.281 32.254 32.600 -0.108 0.000 1.382 912 M HN 0.323 nan 8.290 nan 0.000 0.413 913 A N -0.665 122.024 122.820 -0.219 0.000 2.019 913 A HA -0.078 4.256 4.320 0.025 0.000 0.219 913 A C 1.912 179.431 177.584 -0.108 0.000 1.164 913 A CA 1.718 53.679 52.037 -0.126 0.000 0.644 913 A CB -0.667 18.263 19.000 -0.116 0.000 0.805 913 A HN 0.444 nan 8.150 nan 0.000 0.449 914 V N -2.254 117.547 119.914 -0.189 0.000 2.426 914 V HA -0.122 4.013 4.120 0.025 0.000 0.242 914 V C 2.213 178.343 176.094 0.060 0.000 1.036 914 V CA 0.878 63.124 62.300 -0.091 0.000 1.044 914 V CB -0.997 30.753 31.823 -0.122 0.000 0.688 914 V HN 0.762 nan 8.190 nan 0.000 0.462 915 W N -0.686 120.617 121.300 0.005 0.000 2.387 915 W HA -0.069 4.606 4.660 0.025 0.000 0.272 915 W C 2.318 178.837 176.519 -0.001 0.000 1.224 915 W CA 0.648 57.994 57.345 0.001 0.000 1.210 915 W CB -1.004 28.454 29.460 -0.002 0.000 1.125 915 W HN 0.256 nan 8.180 nan 0.000 0.572 916 M N 0.439 120.147 119.600 0.180 0.000 2.134 916 M HA -0.127 4.368 4.480 0.025 0.000 0.262 916 M C 2.144 178.484 176.300 0.066 0.000 1.076 916 M CA 1.346 56.708 55.300 0.103 0.000 1.143 916 M CB -1.418 31.214 32.600 0.054 0.000 1.346 916 M HN -0.188 nan 8.290 nan 0.000 0.421 917 K N -0.295 120.133 120.400 0.046 0.000 2.063 917 K HA -0.055 4.280 4.320 0.025 0.000 0.208 917 K C 2.340 178.965 176.600 0.042 0.000 1.048 917 K CA 1.462 57.767 56.287 0.030 0.000 0.928 917 K CB -1.080 31.429 32.500 0.015 0.000 0.713 917 K HN 0.385 nan 8.250 nan 0.000 0.442 918 S N 0.459 116.200 115.700 0.069 0.000 2.382 918 S HA 0.058 4.543 4.470 0.025 0.000 0.228 918 S C 1.721 176.354 174.600 0.054 0.000 1.027 918 S CA 1.172 59.413 58.200 0.069 0.000 0.991 918 S CB -0.239 63.024 63.200 0.106 0.000 0.823 918 S HN 0.309 nan 8.310 nan 0.000 0.469 919 L N -0.367 120.893 121.223 0.062 0.000 2.416 919 L HA 0.150 4.505 4.340 0.025 0.000 0.216 919 L C 2.162 179.047 176.870 0.025 0.000 1.098 919 L CA 0.380 55.244 54.840 0.040 0.000 0.840 919 L CB -0.204 41.883 42.059 0.046 0.000 0.981 919 L HN 0.300 nan 8.230 nan 0.000 0.462 920 M N -1.283 118.333 119.600 0.027 0.000 2.751 920 M HA 0.054 4.549 4.480 0.025 0.000 0.252 920 M C 2.412 178.717 176.300 0.009 0.000 1.264 920 M CA 1.106 56.414 55.300 0.014 0.000 1.237 920 M CB -0.623 31.985 32.600 0.013 0.000 1.242 920 M HN 0.005 nan 8.290 nan 0.000 0.525 921 S N -0.142 115.564 115.700 0.011 0.000 2.395 921 S HA -0.005 4.480 4.470 0.025 0.000 0.225 921 S C 1.625 176.229 174.600 0.007 0.000 1.027 921 S CA 1.782 59.985 58.200 0.006 0.000 0.965 921 S CB -0.198 63.005 63.200 0.004 0.000 0.812 921 S HN 0.630 nan 8.310 nan 0.000 0.482 922 T N 2.396 116.957 114.554 0.013 0.000 3.186 922 T HA 0.370 4.735 4.350 0.025 0.000 0.257 922 T C -1.842 172.864 174.700 0.011 0.000 1.029 922 T CA -0.897 61.211 62.100 0.012 0.000 0.916 922 T CB -0.134 68.744 68.868 0.018 0.000 1.041 922 T HN 0.369 nan 8.240 nan 0.000 0.562 923 P HA 0.425 nan 4.420 nan 0.000 0.287 923 P C 0.772 178.073 177.300 0.001 0.000 1.290 923 P CA -0.173 62.930 63.100 0.005 0.000 0.889 923 P CB 0.945 32.648 31.700 0.004 0.000 1.190 924 N N -0.173 118.527 118.700 -0.001 0.000 2.216 924 N HA 0.061 4.816 4.740 0.025 0.000 0.183 924 N C 0.659 176.167 175.510 -0.003 0.000 1.017 924 N CA 1.560 54.609 53.050 -0.002 0.000 0.861 924 N CB -0.345 38.140 38.487 -0.002 0.000 0.986 924 N HN 0.581 nan 8.380 nan 0.000 0.428 925 F N -0.425 119.522 119.950 -0.005 0.000 3.228 925 F HA 0.656 5.198 4.527 0.025 0.000 0.390 925 F C -2.276 173.518 175.800 -0.010 0.000 1.235 925 F CA -1.501 56.495 58.000 -0.007 0.000 1.236 925 F CB 0.933 39.929 39.000 -0.007 0.000 1.855 925 F HN 0.024 nan 8.300 nan 0.000 0.647 926 P HA 0.113 nan 4.420 nan 0.000 0.219 926 P C 0.352 177.642 177.300 -0.018 0.000 1.146 926 P CA 1.933 65.025 63.100 -0.013 0.000 0.808 926 P CB 0.485 32.178 31.700 -0.011 0.000 0.779 927 T N -4.454 110.091 114.554 -0.014 0.000 3.003 927 T HA 0.331 4.696 4.350 0.025 0.000 0.354 927 T C 0.742 175.436 174.700 -0.009 0.000 1.651 927 T CA -0.032 62.060 62.100 -0.014 0.000 1.103 927 T CB 1.128 69.986 68.868 -0.016 0.000 1.450 927 T HN -0.150 nan 8.240 nan 0.000 0.484 928 Q N 1.378 121.174 119.800 -0.007 0.000 2.079 928 Q HA 0.015 4.370 4.340 0.025 0.000 0.200 928 Q C 2.060 178.057 176.000 -0.005 0.000 0.974 928 Q CA 2.109 57.909 55.803 -0.005 0.000 0.840 928 Q CB -0.895 27.841 28.738 -0.002 0.000 0.898 928 Q HN 0.656 nan 8.270 nan 0.000 0.430 929 L N 0.224 121.444 121.223 -0.005 0.000 2.023 929 L HA 0.146 4.501 4.340 0.025 0.000 0.205 929 L C 1.828 178.693 176.870 -0.007 0.000 1.073 929 L CA 0.484 55.321 54.840 -0.006 0.000 0.745 929 L CB -0.821 41.235 42.059 -0.005 0.000 0.900 929 L HN 0.590 nan 8.230 nan 0.000 0.435 930 I N 0.389 120.954 120.570 -0.009 0.000 3.055 930 I HA -0.155 4.030 4.170 0.025 0.000 0.308 930 I C 0.039 176.151 176.117 -0.008 0.000 1.224 930 I CA 0.391 61.685 61.300 -0.009 0.000 1.443 930 I CB 0.480 38.474 38.000 -0.010 0.000 1.318 930 I HN 0.163 nan 8.210 nan 0.000 0.577 931 T N 6.485 121.034 114.554 -0.008 0.000 2.856 931 T HA 0.097 4.462 4.350 0.025 0.000 0.292 931 T C 0.629 175.325 174.700 -0.007 0.000 0.980 931 T CA -0.331 61.764 62.100 -0.008 0.000 1.091 931 T CB 1.205 70.068 68.868 -0.008 0.000 0.936 931 T HN 0.597 nan 8.240 nan 0.000 0.503 932 D N 2.318 122.714 120.400 -0.007 0.000 2.149 932 D HA -0.149 4.506 4.640 0.025 0.000 0.194 932 D C 2.140 178.436 176.300 -0.007 0.000 1.001 932 D CA 1.650 55.647 54.000 -0.006 0.000 0.849 932 D CB -0.183 40.614 40.800 -0.005 0.000 0.939 932 D HN 0.632 nan 8.370 nan 0.000 0.449 933 A N 0.771 123.587 122.820 -0.007 0.000 1.845 933 A HA -0.205 4.130 4.320 0.025 0.000 0.215 933 A C 1.791 179.370 177.584 -0.009 0.000 1.195 933 A CA 2.041 54.073 52.037 -0.008 0.000 0.616 933 A CB -0.758 18.237 19.000 -0.008 0.000 0.832 933 A HN 0.101 nan 8.150 nan 0.000 0.443 934 D N -1.137 119.259 120.400 -0.007 0.000 2.264 934 D HA -0.046 4.609 4.640 0.025 0.000 0.208 934 D C 1.985 178.281 176.300 -0.006 0.000 0.966 934 D CA 1.288 55.285 54.000 -0.006 0.000 0.864 934 D CB -0.041 40.757 40.800 -0.004 0.000 0.933 934 D HN 0.351 nan 8.370 nan 0.000 0.499 935 K N -0.231 120.165 120.400 -0.007 0.000 2.062 935 K HA -0.051 4.284 4.320 0.025 0.000 0.205 935 K C 2.405 178.999 176.600 -0.010 0.000 1.051 935 K CA 1.721 58.003 56.287 -0.007 0.000 0.941 935 K CB -1.088 31.408 32.500 -0.006 0.000 0.719 935 K HN 0.402 nan 8.250 nan 0.000 0.440 936 T N 0.352 114.899 114.554 -0.011 0.000 2.821 936 T HA -0.085 4.280 4.350 0.025 0.000 0.267 936 T C 2.100 176.787 174.700 -0.022 0.000 1.046 936 T CA 1.494 63.586 62.100 -0.013 0.000 1.139 936 T CB -0.349 68.512 68.868 -0.012 0.000 0.871 936 T HN 0.460 nan 8.240 nan 0.000 0.454 937 R N -0.495 119.991 120.500 -0.023 0.000 2.090 937 R HA 0.059 4.414 4.340 0.025 0.000 0.228 937 R C 2.763 179.030 176.300 -0.055 0.000 1.110 937 R CA 1.560 57.639 56.100 -0.035 0.000 0.973 937 R CB -0.987 29.298 30.300 -0.024 0.000 0.869 937 R HN 0.644 nan 8.270 nan 0.000 0.440 938 Y N 1.166 121.444 120.300 -0.038 0.000 2.242 938 Y HA -0.149 4.416 4.550 0.025 0.000 0.291 938 Y C 2.599 178.466 175.900 -0.055 0.000 1.137 938 Y CA 1.778 59.852 58.100 -0.042 0.000 1.181 938 Y CB -1.375 37.082 38.460 -0.005 0.000 0.989 938 Y HN 0.104 nan 8.280 nan 0.000 0.527 939 T N -0.016 114.517 114.554 -0.035 0.000 2.881 939 T HA 0.034 4.399 4.350 0.025 0.000 0.270 939 T C 2.368 177.041 174.700 -0.044 0.000 1.068 939 T CA 1.311 63.395 62.100 -0.026 0.000 1.131 939 T CB -0.593 68.268 68.868 -0.012 0.000 0.871 939 T HN 0.717 nan 8.240 nan 0.000 0.479 940 A N 1.208 123.991 122.820 -0.061 0.000 1.874 940 A HA 0.312 4.646 4.320 0.025 0.000 0.214 940 A C 2.735 180.254 177.584 -0.109 0.000 1.189 940 A CA 1.432 53.426 52.037 -0.070 0.000 0.615 940 A CB -1.251 17.711 19.000 -0.063 0.000 0.830 940 A HN 0.475 nan 8.150 nan 0.000 0.443 941 L N -0.080 121.036 121.223 -0.180 0.000 2.017 941 L HA -0.022 4.333 4.340 0.025 0.000 0.208 941 L C 2.591 179.315 176.870 -0.243 0.000 1.073 941 L CA 2.403 57.050 54.840 -0.322 0.000 0.745 941 L CB -1.781 39.854 42.059 -0.706 0.000 0.894 941 L HN 0.528 nan 8.230 nan 0.000 0.432 942 I N -0.486 119.990 120.570 -0.157 0.000 2.248 942 I HA -0.319 3.866 4.170 0.025 0.000 0.248 942 I C 2.399 178.501 176.117 -0.025 0.000 1.107 942 I CA 1.905 63.177 61.300 -0.047 0.000 1.373 942 I CB -0.293 37.705 38.000 -0.004 0.000 1.055 942 I HN 0.507 nan 8.210 nan 0.000 0.418 943 I N 0.626 121.172 120.570 -0.040 0.000 3.059 943 I HA -0.110 4.075 4.170 0.025 0.000 0.270 943 I C 2.745 178.839 176.117 -0.037 0.000 1.238 943 I CA 0.685 61.966 61.300 -0.032 0.000 1.478 943 I CB -0.494 37.482 38.000 -0.039 0.000 1.097 943 I HN 0.123 nan 8.210 nan 0.000 0.455 944 K N 0.432 120.802 120.400 -0.049 0.000 2.323 944 K HA 0.123 4.458 4.320 0.025 0.000 0.197 944 K C 0.899 177.487 176.600 -0.020 0.000 1.043 944 K CA 0.668 56.930 56.287 -0.041 0.000 0.997 944 K CB -0.086 32.381 32.500 -0.055 0.000 0.807 944 K HN 0.113 nan 8.250 nan 0.000 0.497 945 E N 1.012 121.208 120.200 -0.007 0.000 2.046 945 E HA 0.084 4.449 4.350 0.025 0.000 0.279 945 E C 0.110 176.724 176.600 0.024 0.000 0.989 945 E CA -0.144 56.273 56.400 0.027 0.000 0.798 945 E CB 1.511 31.262 29.700 0.084 0.000 1.086 945 E HN 0.333 nan 8.360 nan 0.000 0.399 946 K N 0.956 121.363 120.400 0.012 0.000 2.402 946 K HA 0.247 4.582 4.320 0.025 0.000 0.204 946 K C 0.981 177.583 176.600 0.005 0.000 1.056 946 K CA 0.689 56.980 56.287 0.006 0.000 1.069 946 K CB -0.285 32.210 32.500 -0.008 0.000 0.888 946 K HN 0.250 nan 8.250 nan 0.000 0.546 947 V N -0.939 118.981 119.914 0.010 0.000 3.605 947 V HA 0.451 4.585 4.120 0.025 0.000 0.284 947 V C 0.710 176.812 176.094 0.013 0.000 1.386 947 V CA 0.806 63.110 62.300 0.007 0.000 1.053 947 V CB -0.603 31.223 31.823 0.005 0.000 0.857 947 V HN 0.734 nan 8.190 nan 0.000 0.436 948 N N -0.398 118.316 118.700 0.023 0.000 2.295 948 N HA 0.622 5.377 4.740 0.025 0.000 0.293 948 N C 0.408 175.935 175.510 0.029 0.000 1.040 948 N CA 0.291 53.355 53.050 0.023 0.000 0.840 948 N CB 1.524 40.028 38.487 0.028 0.000 1.468 948 N HN 0.592 nan 8.380 nan 0.000 0.478 949 K N 0.100 120.512 120.400 0.020 0.000 2.308 949 K HA 0.190 4.525 4.320 0.025 0.000 0.197 949 K C 1.952 178.563 176.600 0.019 0.000 1.049 949 K CA 0.919 57.220 56.287 0.024 0.000 0.991 949 K CB -0.151 32.359 32.500 0.017 0.000 0.836 949 K HN 0.576 nan 8.250 nan 0.000 0.500 950 R N -0.367 120.136 120.500 0.005 0.000 2.075 950 R HA 0.026 4.381 4.340 0.025 0.000 0.232 950 R C 2.192 178.466 176.300 -0.044 0.000 1.126 950 R CA 1.213 57.306 56.100 -0.012 0.000 0.963 950 R CB -0.381 29.909 30.300 -0.016 0.000 0.858 950 R HN 0.303 nan 8.270 nan 0.000 0.435 951 L N 0.920 122.115 121.223 -0.047 0.000 1.990 951 L HA -0.224 4.131 4.340 0.025 0.000 0.213 951 L C 2.725 179.525 176.870 -0.117 0.000 1.072 951 L CA 2.159 56.920 54.840 -0.131 0.000 0.755 951 L CB -1.047 41.014 42.059 0.004 0.000 0.889 951 L HN 0.253 nan 8.230 nan 0.000 0.432 952 L N -1.776 119.487 121.223 0.066 0.000 2.013 952 L HA -0.328 4.027 4.340 0.025 0.000 0.212 952 L C 2.382 179.290 176.870 0.063 0.000 1.073 952 L CA 2.711 57.628 54.840 0.128 0.000 0.753 952 L CB -1.713 40.406 42.059 0.100 0.000 0.890 952 L HN 0.557 nan 8.230 nan 0.000 0.432 953 Q N -0.469 119.343 119.800 0.020 0.000 2.181 953 Q HA -0.275 4.080 4.340 0.025 0.000 0.205 953 Q C 2.234 178.221 176.000 -0.021 0.000 0.980 953 Q CA 1.851 57.663 55.803 0.014 0.000 0.862 953 Q CB -0.171 28.573 28.738 0.010 0.000 0.905 953 Q HN 1.006 nan 8.270 nan 0.000 0.429 954 Q N -0.315 119.425 119.800 -0.099 0.000 2.089 954 Q HA -0.138 4.216 4.340 0.025 0.000 0.195 954 Q C 1.706 177.642 176.000 -0.107 0.000 0.963 954 Q CA 0.957 56.674 55.803 -0.144 0.000 0.834 954 Q CB -0.285 28.303 28.738 -0.249 0.000 0.906 954 Q HN 0.420 nan 8.270 nan 0.000 0.452 955 H N 0.904 119.978 119.070 0.007 0.000 2.353 955 H HA -0.061 4.510 4.556 0.025 0.000 0.300 955 H C 2.262 177.591 175.328 0.002 0.000 1.090 955 H CA 1.416 57.466 56.048 0.003 0.000 1.327 955 H CB -0.255 29.510 29.762 0.005 0.000 1.383 955 H HN 0.241 nan 8.280 nan 0.000 0.508 956 L N 0.814 122.113 121.223 0.126 0.000 1.989 956 L HA -0.241 4.113 4.340 0.025 0.000 0.211 956 L C 2.803 179.691 176.870 0.029 0.000 1.071 956 L CA 1.772 56.652 54.840 0.067 0.000 0.749 956 L CB -0.322 41.775 42.059 0.063 0.000 0.890 956 L HN 0.342 nan 8.230 nan 0.000 0.431 957 S N -0.861 114.850 115.700 0.020 0.000 2.351 957 S HA -0.256 4.229 4.470 0.025 0.000 0.220 957 S C 1.690 176.292 174.600 0.003 0.000 1.035 957 S CA 1.377 59.580 58.200 0.005 0.000 1.031 957 S CB -0.757 62.444 63.200 0.000 0.000 0.928 957 S HN 0.466 nan 8.310 nan 0.000 0.433 958 E N 1.031 121.237 120.200 0.009 0.000 2.048 958 E HA -0.256 4.109 4.350 0.025 0.000 0.202 958 E C 2.148 178.754 176.600 0.009 0.000 1.021 958 E CA 1.757 58.163 56.400 0.011 0.000 0.825 958 E CB -0.347 29.368 29.700 0.025 0.000 0.756 958 E HN 0.574 nan 8.360 nan 0.000 0.454 959 M N 0.527 120.139 119.600 0.019 0.000 2.108 959 M HA -0.211 4.284 4.480 0.025 0.000 0.261 959 M C 2.352 178.647 176.300 -0.009 0.000 1.066 959 M CA 1.771 57.075 55.300 0.007 0.000 1.107 959 M CB -0.142 32.466 32.600 0.013 0.000 1.356 959 M HN 0.169 nan 8.290 nan 0.000 0.406 960 A N 0.420 123.231 122.820 -0.015 0.000 1.903 960 A HA -0.256 4.079 4.320 0.025 0.000 0.219 960 A C 2.473 180.043 177.584 -0.024 0.000 1.191 960 A CA 3.465 55.483 52.037 -0.032 0.000 0.638 960 A CB -1.345 17.634 19.000 -0.037 0.000 0.823 960 A HN 0.625 nan 8.150 nan 0.000 0.451 961 M N -0.144 119.447 119.600 -0.015 0.000 2.066 961 M HA -0.119 4.376 4.480 0.025 0.000 0.259 961 M C 2.205 178.497 176.300 -0.012 0.000 1.074 961 M CA 2.638 57.930 55.300 -0.012 0.000 1.114 961 M CB -1.817 30.777 32.600 -0.010 0.000 1.306 961 M HN 0.545 nan 8.290 nan 0.000 0.411 962 K N -0.167 120.227 120.400 -0.010 0.000 2.173 962 K HA -0.158 4.177 4.320 0.025 0.000 0.207 962 K C 2.105 178.698 176.600 -0.012 0.000 1.046 962 K CA 1.854 58.135 56.287 -0.010 0.000 0.929 962 K CB -0.835 31.661 32.500 -0.007 0.000 0.720 962 K HN 0.723 nan 8.250 nan 0.000 0.453 963 T N 1.231 115.776 114.554 -0.015 0.000 2.639 963 T HA -0.098 4.267 4.350 0.025 0.000 0.261 963 T C 1.707 176.397 174.700 -0.017 0.000 1.053 963 T CA 1.161 63.250 62.100 -0.019 0.000 1.158 963 T CB -0.116 68.735 68.868 -0.028 0.000 0.863 963 T HN 0.305 nan 8.240 nan 0.000 0.413 964 R N 1.391 121.880 120.500 -0.018 0.000 2.241 964 R HA 0.234 4.589 4.340 0.025 0.000 0.224 964 R C 1.401 177.697 176.300 -0.006 0.000 1.101 964 R CA 0.648 56.740 56.100 -0.012 0.000 0.995 964 R CB -0.585 29.708 30.300 -0.012 0.000 0.870 964 R HN 0.515 nan 8.270 nan 0.000 0.463 965 G N 0.000 108.795 108.800 -0.008 0.000 5.446 965 G HA2 0.000 3.975 3.960 0.025 0.000 0.244 965 G HA3 0.000 3.975 3.960 0.025 0.000 0.244 965 G CA 0.000 45.096 45.100 -0.007 0.000 0.502 965 G HN 0.000 nan 8.290 nan 0.000 0.925