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_G 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 0.360 123.175 122.820 -0.007 0.000 2.119 12 A HA 0.300 4.622 4.320 0.003 0.000 0.216 12 A C 2.405 179.965 177.584 -0.040 0.000 1.152 12 A CA 1.488 53.496 52.037 -0.047 0.000 0.708 12 A CB -0.415 18.511 19.000 -0.123 0.000 0.805 12 A HN 0.800 nan 8.150 nan 0.000 0.460 13 V N -0.115 119.770 119.914 -0.047 0.000 2.660 13 V HA -0.258 3.864 4.120 0.003 0.000 0.257 13 V C 2.490 178.662 176.094 0.130 0.000 1.088 13 V CA 1.929 64.187 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 0.501 120.477 119.914 0.103 0.000 2.332 14 V HA -0.282 3.840 4.120 0.003 0.000 0.248 14 V C 2.889 179.054 176.094 0.118 0.000 1.055 14 V CA 2.429 64.803 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 -0.651 115.075 115.700 0.043 0.000 2.370 15 S HA -0.226 4.246 4.470 0.003 0.000 0.226 15 S C 2.124 176.732 174.600 0.013 0.000 1.033 15 S CA 2.276 60.484 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 -0.243 119.702 119.950 -0.008 0.000 2.216 16 F HA 0.063 4.592 4.527 0.003 0.000 0.300 16 F C 2.306 178.045 175.800 -0.102 0.000 1.085 16 F CA 1.400 59.353 58.000 -0.078 0.000 1.326 16 F CB -1.501 37.407 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 -0.083 4.469 4.550 0.002 0.000 0.291 17 Y C 2.406 178.309 175.900 0.005 0.000 1.143 17 Y CA 1.253 59.356 58.100 0.005 0.000 1.257 17 Y CB -0.156 38.315 38.460 0.019 0.000 0.984 17 Y HN 0.094 nan 8.280 nan 0.000 0.550 18 R N -0.521 120.043 120.500 0.107 0.000 2.276 18 R HA 0.241 4.583 4.340 0.003 0.000 0.196 18 R C 0.568 176.882 176.300 0.024 0.000 0.961 18 R CA 0.926 57.064 56.100 0.063 0.000 1.024 18 R CB -0.146 30.182 30.300 0.047 0.000 0.940 18 R HN 0.223 nan 8.270 nan 0.000 0.480 19 S N -0.760 114.939 115.700 -0.002 0.000 2.680 19 S HA 0.275 4.747 4.470 0.003 0.000 0.153 19 S C 0.615 175.186 174.600 -0.048 0.000 1.224 19 S CA 0.175 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 1.373 120.028 118.700 -0.075 0.000 2.043 20 N HA -0.027 4.715 4.740 0.003 0.000 0.193 20 N C 2.327 177.798 175.510 -0.065 0.000 1.037 20 N CA 2.758 55.739 53.050 -0.114 0.000 0.851 20 N CB -1.015 37.380 38.487 -0.153 0.000 1.027 20 N HN 1.086 nan 8.380 nan 0.000 0.422 21 S N 0.691 116.368 115.700 -0.039 0.000 2.344 21 S HA -0.190 4.282 4.470 0.003 0.000 0.217 21 S C 2.048 176.639 174.600 -0.014 0.000 1.033 21 S CA 1.996 60.184 58.200 -0.020 0.000 1.017 21 S CB -0.452 62.743 63.200 -0.009 0.000 0.941 21 S HN 0.710 nan 8.310 nan 0.000 0.430 22 Q N 1.476 121.269 119.800 -0.013 0.000 2.444 22 Q HA 0.319 4.661 4.340 0.003 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 0.825 nan 8.270 nan 0.000 0.513 29 E N 0.302 120.553 120.200 0.086 0.000 2.136 29 E HA -0.253 4.099 4.350 0.003 0.000 0.208 29 E C 2.044 178.723 176.600 0.130 0.000 1.035 29 E CA 2.503 58.959 56.400 0.094 0.000 0.838 29 E CB -1.304 28.450 29.700 0.089 0.000 0.748 29 E HN 0.870 nan 8.360 nan 0.000 0.459 30 W N 0.673 121.973 121.300 -0.001 0.000 2.329 30 W HA -0.070 4.592 4.660 0.003 0.000 0.324 30 W C 3.057 179.592 176.519 0.026 0.000 1.222 30 W CA 3.552 60.900 57.345 0.005 0.000 1.270 30 W CB -0.768 28.681 29.460 -0.018 0.000 1.167 30 W HN 0.500 nan 8.180 nan 0.000 0.467 31 L N -0.512 120.865 121.223 0.257 0.000 2.051 31 L HA -0.259 4.083 4.340 0.003 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 -1.048 113.578 114.554 0.120 0.000 2.652 32 T HA -0.204 4.148 4.350 0.003 0.000 0.267 32 T C 1.778 176.506 174.700 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 0.955 121.344 120.400 -0.019 0.000 2.263 33 D HA 0.005 4.647 4.640 0.003 0.000 0.208 33 D C 2.064 178.326 176.300 -0.064 0.000 0.971 33 D CA 0.789 54.762 54.000 -0.046 0.000 0.867 33 D CB -0.129 40.629 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 4.185 4.320 0.003 0.000 0.217 34 A C 1.993 179.705 177.584 0.213 0.000 1.153 34 A CA 0.872 52.862 52.037 -0.079 0.000 0.692 34 A CB -0.269 18.523 19.000 -0.348 0.000 0.799 34 A HN 0.172 nan 8.150 nan 0.000 0.458 35 E N -0.464 119.826 120.200 0.150 0.000 2.435 35 E HA 0.138 4.490 4.350 0.003 0.000 0.195 35 E C 1.762 178.377 176.600 0.024 0.000 1.029 35 E CA 0.613 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 0.657 123.527 122.820 0.082 0.000 1.911 36 A HA 0.217 4.539 4.320 0.003 0.000 0.212 36 A C 1.619 179.324 177.584 0.202 0.000 1.189 36 A CA 0.745 52.855 52.037 0.121 0.000 0.639 36 A CB -0.541 18.489 19.000 0.051 0.000 0.839 36 A HN 0.329 nan 8.150 nan 0.000 0.449 37 S N 1.245 117.033 115.700 0.146 0.000 2.549 37 S HA 0.379 4.851 4.470 0.003 0.000 0.286 37 S C -0.646 174.040 174.600 0.142 0.000 1.314 37 S CA -0.908 57.349 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 0.220 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 0.057 119.893 119.800 0.059 0.000 2.364 39 Q HA 0.082 4.423 4.340 0.003 0.000 0.207 39 Q C 2.336 178.316 176.000 -0.034 0.000 0.970 39 Q CA 1.553 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 0.026 122.771 122.820 -0.125 0.000 1.978 40 A HA -0.154 4.168 4.320 0.003 0.000 0.220 40 A C 2.110 179.215 177.584 -0.799 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 0.856 nan 8.150 nan 0.000 0.448 41 W N -1.157 119.858 121.300 -0.476 0.000 2.409 41 W HA -0.125 4.537 4.660 0.004 0.000 0.299 41 W C 3.093 179.628 176.519 0.027 0.000 1.203 41 W CA 1.094 58.334 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 1.180 121.128 119.800 0.247 0.000 2.123 42 Q HA -0.189 4.152 4.340 0.003 0.000 0.199 42 Q C 1.548 177.730 176.000 0.303 0.000 0.966 42 Q CA 1.829 57.792 55.803 0.267 0.000 0.845 42 Q CB -1.536 27.317 28.738 0.191 0.000 0.907 42 Q HN 0.524 nan 8.270 nan 0.000 0.439 43 F N 0.940 121.017 119.950 0.211 0.000 2.512 43 F HA 0.122 4.651 4.527 0.003 0.000 0.296 43 F C 2.321 178.172 175.800 0.086 0.000 1.110 43 F CA 0.853 58.943 58.000 0.150 0.000 1.446 43 F CB -0.783 38.291 39.000 0.123 0.000 1.092 43 F HN 0.225 nan 8.300 nan 0.000 0.554 44 S N 0.715 116.417 115.700 0.004 0.000 2.354 44 S HA -0.280 4.192 4.470 0.003 0.000 0.219 44 S C 1.693 176.230 174.600 -0.105 0.000 1.035 44 S CA 1.512 59.614 58.200 -0.164 0.000 1.037 44 S CB -1.719 61.046 63.200 -0.724 0.000 0.956 44 S HN 0.583 nan 8.310 nan 0.000 0.428 45 W N 2.590 123.904 121.300 0.025 0.000 2.364 45 W HA 0.091 4.754 4.660 0.004 0.000 0.281 45 W C 3.362 179.944 176.519 0.105 0.000 1.219 45 W CA 1.093 58.469 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 4.387 4.340 0.003 0.000 0.198 46 Q C 1.980 178.114 176.000 0.223 0.000 0.960 46 Q CA 1.443 57.404 55.803 0.263 0.000 0.847 46 Q CB -0.959 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 0.257 121.624 121.223 0.239 0.000 2.362 47 L HA 0.154 4.496 4.340 0.003 0.000 0.219 47 L C 1.811 178.789 176.870 0.180 0.000 1.134 47 L CA 1.664 56.627 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 0.669 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 4.972 4.480 0.003 0.000 0.309 48 M C 0.176 176.695 176.300 0.366 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 1.457 121.402 119.800 0.240 0.000 2.247 49 Q HA 0.696 5.038 4.340 0.003 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 29.231 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 4.838 4.340 0.003 0.000 0.284 50 L C 1.376 178.238 176.870 -0.013 0.000 1.078 50 L CA 0.999 55.812 54.840 -0.045 0.000 0.815 50 L CB 0.909 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 1.037 109.823 108.800 -0.023 0.000 2.194 51 G HA2 -0.276 3.686 3.960 0.003 0.000 0.236 51 G HA3 -0.276 3.686 3.960 0.003 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 5.166 4.320 0.003 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 -0.049 115.676 115.700 0.041 0.000 2.549 53 S HA -0.043 4.429 4.470 0.003 0.000 0.283 53 S C 1.305 175.926 174.600 0.035 0.000 1.320 53 S CA 0.294 58.505 58.200 0.019 0.000 1.058 53 S CB 0.666 63.861 63.200 -0.009 0.000 0.882 53 S HN 0.750 nan 8.310 nan 0.000 0.498 54 Q N 2.681 122.495 119.800 0.023 0.000 2.170 54 Q HA -0.137 4.205 4.340 0.003 0.000 0.203 54 Q C 1.758 177.754 176.000 -0.005 0.000 0.976 54 Q CA 1.912 57.742 55.803 0.046 0.000 0.858 54 Q CB -0.119 28.632 28.738 0.021 0.000 0.907 54 Q HN 0.855 nan 8.270 nan 0.000 0.433 55 E N -0.636 119.484 120.200 -0.134 0.000 2.038 55 E HA -0.172 4.179 4.350 0.003 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 -0.581 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 0.518 120.401 119.914 -0.051 0.000 2.788 56 V HA -0.116 4.006 4.120 0.003 0.000 0.251 56 V C 2.388 178.596 176.094 0.188 0.000 1.068 56 V CA 1.325 63.699 62.300 0.124 0.000 1.090 56 V CB -0.747 31.140 31.823 0.107 0.000 0.710 56 V HN 0.278 nan 8.190 nan 0.000 0.467 57 Q N -0.461 119.428 119.800 0.148 0.000 2.170 57 Q HA -0.166 4.176 4.340 0.003 0.000 0.203 57 Q C 2.103 178.167 176.000 0.106 0.000 0.976 57 Q CA 1.779 57.671 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 0.006 119.960 119.950 0.005 0.000 2.259 58 F HA -0.144 4.385 4.527 0.003 0.000 0.298 58 F C 1.672 177.508 175.800 0.060 0.000 1.088 58 F CA 0.724 58.720 58.000 -0.007 0.000 1.358 58 F CB -0.247 38.775 39.000 0.036 0.000 1.040 58 F HN 0.007 nan 8.300 nan 0.000 0.505 59 F N 0.752 120.651 119.950 -0.086 0.000 2.325 59 F HA 0.134 4.663 4.527 0.003 0.000 0.299 59 F C 2.328 178.050 175.800 -0.130 0.000 1.090 59 F CA 1.331 59.243 58.000 -0.146 0.000 1.392 59 F CB -0.930 38.104 39.000 0.057 0.000 1.053 59 F HN -0.017 nan 8.300 nan 0.000 0.521 60 G N -0.336 108.413 108.800 -0.085 0.000 2.408 60 G HA2 -0.161 3.801 3.960 0.003 0.000 0.217 60 G HA3 -0.161 3.801 3.960 0.003 0.000 0.217 60 G C 1.812 176.476 174.900 -0.392 0.000 1.150 60 G CA 0.683 45.682 45.100 -0.169 0.000 0.776 60 G HN 0.526 nan 8.290 nan 0.000 0.542 61 A N 0.705 123.295 122.820 -0.382 0.000 1.897 61 A HA 0.156 4.478 4.320 0.003 0.000 0.215 61 A C 2.314 179.629 177.584 -0.448 0.000 1.181 61 A CA 1.137 52.916 52.037 -0.429 0.000 0.620 61 A CB -0.378 18.421 19.000 -0.335 0.000 0.821 61 A HN 0.393 nan 8.150 nan 0.000 0.443 62 I N -0.300 119.941 120.570 -0.548 0.000 2.361 62 I HA -0.213 3.959 4.170 0.003 0.000 0.251 62 I C 2.185 178.021 176.117 -0.468 0.000 1.133 62 I CA 1.944 62.947 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 1.630 115.804 114.554 -0.634 0.000 2.614 63 T HA -0.219 4.133 4.350 0.003 0.000 0.263 63 T C 1.792 176.092 174.700 -0.668 0.000 1.055 63 T CA 1.766 63.472 62.100 -0.656 0.000 1.162 63 T CB -0.526 67.937 68.868 -0.675 0.000 0.863 63 T HN 0.344 nan 8.240 nan 0.000 0.414 64 L N 0.954 121.756 121.223 -0.702 0.000 2.089 64 L HA -0.196 4.146 4.340 0.003 0.000 0.213 64 L C 2.239 178.823 176.870 -0.476 0.000 1.079 64 L CA 2.153 56.557 54.840 -0.726 0.000 0.758 64 L CB -0.855 40.728 42.059 -0.792 0.000 0.891 64 L HN 0.395 nan 8.230 nan 0.000 0.433 65 H N -1.013 117.789 119.070 -0.448 0.000 2.276 65 H HA -0.079 4.478 4.556 0.003 0.000 0.301 65 H C 2.268 177.442 175.328 -0.257 0.000 1.073 65 H CA 2.044 57.914 56.048 -0.298 0.000 1.311 65 H CB -0.433 29.174 29.762 -0.258 0.000 1.379 65 H HN 0.391 nan 8.280 nan 0.000 0.494 66 S N -0.124 115.320 115.700 -0.428 0.000 2.383 66 S HA -0.189 4.283 4.470 0.003 0.000 0.229 66 S C 2.408 176.803 174.600 -0.343 0.000 1.030 66 S CA 1.814 59.771 58.200 -0.405 0.000 1.002 66 S CB -0.387 62.641 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 0.152 4.474 4.320 0.003 0.000 0.205 67 K C 1.896 178.352 176.600 -0.239 0.000 1.050 67 K CA 1.253 57.207 56.287 -0.556 0.000 0.938 67 K CB -1.205 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 -0.407 120.668 121.223 -0.247 0.000 2.275 68 L HA -0.086 4.256 4.340 0.003 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 41.688 42.059 -0.001 0.000 0.919 68 L HN 0.577 nan 8.230 nan 0.000 0.443 69 M N -0.657 118.921 119.600 -0.036 0.000 2.615 69 M HA 0.168 4.650 4.480 0.003 0.000 0.262 69 M C 2.474 178.898 176.300 0.208 0.000 1.198 69 M CA 1.599 56.937 55.300 0.063 0.000 1.165 69 M CB -1.104 31.404 32.600 -0.153 0.000 1.310 69 M HN 0.166 nan 8.290 nan 0.000 0.494 70 K N -0.085 120.376 120.400 0.101 0.000 2.242 70 K HA 0.297 4.619 4.320 0.003 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 31.145 32.500 0.029 0.000 0.795 70 K HN 1.384 nan 8.250 nan 0.000 0.477 71 H N -2.542 116.622 119.070 0.156 0.000 2.505 71 H HA 0.398 4.956 4.556 0.003 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 -1.321 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 4.755 4.660 0.003 0.000 0.257 72 W C 2.032 178.535 176.519 -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 -0.689 118.379 119.070 -0.004 0.000 2.495 73 H HA 0.292 4.850 4.556 0.003 0.000 0.287 73 H C 1.735 177.031 175.328 -0.053 0.000 1.033 73 H CA 2.354 58.387 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 0.532 120.693 120.200 -0.065 0.000 2.405 74 E HA 0.551 4.903 4.350 0.003 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 -0.409 29.099 29.700 -0.320 0.000 1.240 74 E HN 0.568 nan 8.360 nan 0.000 0.439 75 V N 1.939 121.808 119.914 -0.076 0.000 2.581 75 V HA 0.558 4.680 4.120 0.003 0.000 0.303 75 V C -2.270 173.804 176.094 -0.033 0.000 1.041 75 V CA -1.874 60.411 62.300 -0.026 0.000 0.907 75 V CB 2.138 33.987 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 -2.536 174.768 177.300 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 2.159 65.266 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 -0.187 4.165 4.350 0.003 0.000 0.193 78 E C 1.672 178.282 176.600 0.016 0.000 0.988 78 E CA 1.678 58.083 56.400 0.008 0.000 0.804 78 E CB -2.011 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 0.055 118.767 118.700 0.020 0.000 2.327 79 N HA 0.151 4.893 4.740 0.003 0.000 0.231 79 N C 1.808 177.355 175.510 0.062 0.000 1.130 79 N CA 0.558 53.622 53.050 0.023 0.000 0.845 79 N CB -0.292 38.198 38.487 0.005 0.000 1.073 79 N HN 0.286 nan 8.380 nan 0.000 0.496 80 R N 0.007 120.563 120.500 0.093 0.000 2.088 80 R HA -0.158 4.184 4.340 0.003 0.000 0.232 80 R C 2.110 178.551 176.300 0.236 0.000 1.136 80 R CA 1.676 57.888 56.100 0.187 0.000 0.926 80 R CB -0.965 29.424 30.300 0.149 0.000 0.837 80 R HN 0.886 nan 8.270 nan 0.000 0.429 81 E N 0.309 120.604 120.200 0.158 0.000 2.118 81 E HA -0.248 4.104 4.350 0.003 0.000 0.195 81 E C 2.289 178.890 176.600 0.002 0.000 0.992 81 E CA 1.674 58.142 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 0.253 120.447 120.200 -0.011 0.000 2.070 82 E HA -0.242 4.110 4.350 0.003 0.000 0.197 82 E C 2.022 178.544 176.600 -0.131 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 4.255 4.340 0.003 0.000 0.212 83 L C 2.681 179.373 176.870 -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 -1.046 119.051 120.400 -0.505 0.000 2.007 84 K HA -0.169 4.153 4.320 0.003 0.000 0.206 84 K C 2.094 178.560 176.600 -0.224 0.000 1.047 84 K CA 1.418 57.359 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 0.557 120.268 119.800 -0.147 0.000 2.152 85 Q HA -0.150 4.192 4.340 0.003 0.000 0.206 85 Q C 2.363 178.305 176.000 -0.096 0.000 0.985 85 Q CA 3.290 59.039 55.803 -0.091 0.000 0.863 85 Q CB -0.553 28.139 28.738 -0.078 0.000 0.904 85 Q HN 0.613 nan 8.270 nan 0.000 0.422 86 K N 0.463 120.765 120.400 -0.162 0.000 2.026 86 K HA -0.084 4.238 4.320 0.003 0.000 0.208 86 K C 1.944 178.595 176.600 0.086 0.000 1.048 86 K CA 1.656 57.798 56.287 -0.241 0.000 0.929 86 K CB -1.018 31.067 32.500 -0.692 0.000 0.713 86 K HN 0.460 nan 8.250 nan 0.000 0.439 87 I N 0.863 121.527 120.570 0.157 0.000 2.546 87 I HA -0.132 4.040 4.170 0.003 0.000 0.255 87 I C 3.069 179.239 176.117 0.089 0.000 1.163 87 I CA 1.019 62.439 61.300 0.199 0.000 1.457 87 I CB -0.285 37.745 38.000 0.049 0.000 1.092 87 I HN 0.343 nan 8.210 nan 0.000 0.434 88 L N -0.311 120.929 121.223 0.030 0.000 2.156 88 L HA -0.124 4.218 4.340 0.003 0.000 0.208 88 L C 2.343 179.245 176.870 0.054 0.000 1.095 88 L CA 2.009 56.864 54.840 0.026 0.000 0.770 88 L CB -1.316 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 -0.109 120.128 120.200 0.062 0.000 2.047 89 E HA -0.125 4.227 4.350 0.003 0.000 0.191 89 E C 2.563 179.246 176.600 0.138 0.000 0.987 89 E CA 1.566 58.011 56.400 0.075 0.000 0.799 89 E CB -0.214 29.516 29.700 0.051 0.000 0.752 89 E HN 0.703 nan 8.360 nan 0.000 0.449 90 S N 0.369 116.195 115.700 0.211 0.000 2.353 90 S HA -0.182 4.290 4.470 0.003 0.000 0.222 90 S C 2.009 176.809 174.600 0.334 0.000 1.035 90 S CA 1.184 59.582 58.200 0.331 0.000 1.025 90 S CB -0.390 62.988 63.200 0.297 0.000 0.902 90 S HN 0.215 nan 8.310 nan 0.000 0.440 91 I N 1.271 121.948 120.570 0.179 0.000 2.236 91 I HA -0.207 3.965 4.170 0.003 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 -0.542 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 0.871 120.851 119.914 0.110 0.000 2.358 92 V HA -0.305 3.817 4.120 0.003 0.000 0.246 92 V C 3.137 179.269 176.094 0.063 0.000 1.047 92 V CA 2.506 64.850 62.300 0.073 0.000 1.035 92 V CB -1.181 30.672 31.823 0.050 0.000 0.658 92 V HN 0.537 nan 8.190 nan 0.000 0.452 93 R N -0.511 120.035 120.500 0.076 0.000 2.075 93 R HA -0.110 4.232 4.340 0.003 0.000 0.232 93 R C 1.935 178.127 176.300 -0.180 0.000 1.126 93 R CA 2.053 58.116 56.100 -0.061 0.000 0.963 93 R CB -1.417 28.825 30.300 -0.098 0.000 0.858 93 R HN 0.581 nan 8.270 nan 0.000 0.435 94 F N 0.759 120.717 119.950 0.014 0.000 2.797 94 F HA 0.428 4.957 4.527 0.003 0.000 0.302 94 F C 1.518 177.318 175.800 -0.000 0.000 1.130 94 F CA -0.196 57.806 58.000 0.004 0.000 1.387 94 F CB 0.136 39.131 39.000 -0.007 0.000 1.107 94 F HN 0.292 nan 8.300 nan 0.000 0.577 95 A N 0.300 123.197 122.820 0.128 0.000 2.457 95 A HA 0.506 4.828 4.320 0.003 0.000 0.298 95 A C 1.317 178.946 177.584 0.075 0.000 1.288 95 A CA 0.648 52.743 52.037 0.097 0.000 0.956 95 A CB -0.911 18.139 19.000 0.082 0.000 1.135 95 A HN 0.716 nan 8.150 nan 0.000 0.535 96 G N 1.568 110.421 108.800 0.089 0.000 2.253 96 G HA2 -0.069 3.893 3.960 0.003 0.000 0.209 96 G HA3 -0.069 3.893 3.960 0.003 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 1.500 nan 8.290 nan 0.000 0.496 97 G N 1.096 109.914 108.800 0.029 0.000 3.311 97 G HA2 0.581 4.543 3.960 0.003 0.000 0.169 97 G HA3 0.581 4.543 3.960 0.003 0.000 0.169 97 G C -1.826 173.119 174.900 0.076 0.000 1.852 97 G CA 0.388 45.489 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 0.438 177.803 177.300 0.109 0.000 1.281 98 P CA 0.136 63.316 63.100 0.134 0.000 0.781 98 P CB 1.591 33.399 31.700 0.179 0.000 0.903 99 K N 3.814 124.245 120.400 0.052 0.000 1.991 99 K HA -0.149 4.173 4.320 0.003 0.000 0.212 99 K C 1.895 178.453 176.600 -0.069 0.000 1.049 99 K CA 2.158 58.450 56.287 0.009 0.000 0.932 99 K CB -1.820 30.710 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 2.248 100 I HA -0.273 3.899 4.170 0.003 0.000 0.248 100 I C 2.400 178.458 176.117 -0.098 0.000 1.107 100 I CA 1.428 62.622 61.300 -0.176 0.000 1.373 100 I CB -0.761 37.006 38.000 -0.388 0.000 1.055 100 I HN 0.142 nan 8.210 nan 0.000 0.418 101 V N 0.825 120.713 119.914 -0.043 0.000 2.270 101 V HA -0.251 3.871 4.120 0.003 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 -0.088 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 1.978 102 L HA -0.290 4.052 4.340 0.003 0.000 0.218 102 L C 2.480 179.228 176.870 -0.203 0.000 1.075 102 L CA 3.088 57.865 54.840 -0.104 0.000 0.767 102 L CB -1.491 40.514 42.059 -0.091 0.000 0.890 102 L HN 0.508 nan 8.230 nan 0.000 0.434 103 N N -0.985 117.561 118.700 -0.256 0.000 2.132 103 N HA -0.307 4.435 4.740 0.003 0.000 0.191 103 N C 2.062 177.443 175.510 -0.215 0.000 1.015 103 N CA 1.862 54.744 53.050 -0.279 0.000 0.864 103 N CB -0.734 37.595 38.487 -0.263 0.000 1.006 103 N HN 0.406 nan 8.380 nan 0.000 0.430 104 R N 0.008 120.402 120.500 -0.178 0.000 2.090 104 R HA 0.250 4.592 4.340 0.003 0.000 0.228 104 R C 2.289 178.443 176.300 -0.243 0.000 1.110 104 R CA 0.669 56.648 56.100 -0.201 0.000 0.973 104 R CB -0.597 29.637 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 4.100 4.340 0.003 0.000 0.207 105 L C 2.375 179.160 176.870 -0.143 0.000 1.078 105 L CA 1.257 55.972 54.840 -0.208 0.000 0.749 105 L CB -0.470 41.471 42.059 -0.197 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 -0.146 0.000 2.393 106 C HA -0.200 4.261 4.460 0.003 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 -0.778 26.865 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 3.997 4.170 0.003 0.000 0.254 107 I C 2.401 178.482 176.117 -0.061 0.000 1.156 107 I CA 1.305 62.526 61.300 -0.133 0.000 1.433 107 I CB -0.478 37.363 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 -0.139 4.333 4.470 0.003 0.000 0.224 108 S C 1.930 176.571 174.600 0.069 0.000 1.029 108 S CA 1.016 59.223 58.200 0.012 0.000 0.988 108 S CB -0.395 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 2.380 123.621 121.223 0.030 0.000 2.046 109 L HA 0.024 4.366 4.340 0.003 0.000 0.208 109 L C 2.161 179.120 176.870 0.148 0.000 1.077 109 L CA 2.029 56.914 54.840 0.074 0.000 0.747 109 L CB -1.382 40.693 42.059 0.028 0.000 0.896 109 L HN 0.285 nan 8.230 nan 0.000 0.432 110 G N -0.982 107.873 108.800 0.091 0.000 2.453 110 G HA2 -0.242 3.720 3.960 0.003 0.000 0.215 110 G HA3 -0.242 3.720 3.960 0.003 0.000 0.215 110 G C 1.623 176.581 174.900 0.097 0.000 1.201 110 G CA 0.932 46.084 45.100 0.087 0.000 0.784 110 G HN 0.643 nan 8.290 nan 0.000 0.545 111 A N -0.033 122.846 122.820 0.099 0.000 1.948 111 A HA -0.136 4.186 4.320 0.003 0.000 0.220 111 A C 2.185 179.873 177.584 0.173 0.000 1.177 111 A CA 1.974 54.063 52.037 0.088 0.000 0.636 111 A CB -0.760 18.320 19.000 0.132 0.000 0.815 111 A HN 0.554 nan 8.150 nan 0.000 0.449 112 Y N 0.779 121.151 120.300 0.121 0.000 2.053 112 Y HA -0.260 4.291 4.550 0.003 0.000 0.277 112 Y C 2.014 178.002 175.900 0.146 0.000 1.159 112 Y CA 2.045 60.240 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 -0.756 119.894 120.570 0.133 0.000 2.248 113 I HA -0.345 3.827 4.170 0.003 0.000 0.248 113 I C 2.249 178.334 176.117 -0.053 0.000 1.107 113 I CA 1.325 62.640 61.300 0.025 0.000 1.373 113 I CB -0.776 37.294 38.000 0.117 0.000 1.055 113 I HN 0.141 nan 8.210 nan 0.000 0.418 114 V N 0.664 120.536 119.914 -0.071 0.000 2.324 114 V HA -0.337 3.785 4.120 0.003 0.000 0.250 114 V C 2.507 178.476 176.094 -0.207 0.000 1.060 114 V CA 2.027 64.229 62.300 -0.163 0.000 1.042 114 V CB -1.048 30.614 31.823 -0.268 0.000 0.650 114 V HN 0.474 nan 8.190 nan 0.000 0.450 115 H N -0.848 118.143 119.070 -0.131 0.000 2.457 115 H HA -0.021 4.537 4.556 0.003 0.000 0.294 115 H C 2.189 177.426 175.328 -0.152 0.000 1.064 115 H CA 1.355 57.319 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 0.583 120.130 119.600 -0.089 0.000 2.619 116 M HA -0.025 4.457 4.480 0.003 0.000 0.251 116 M C 2.044 178.321 176.300 -0.037 0.000 1.106 116 M CA 0.530 55.777 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 0.038 4.379 4.340 0.003 0.000 0.219 117 L C 1.181 178.045 176.870 -0.009 0.000 1.134 117 L CA 0.319 55.148 54.840 -0.017 0.000 0.807 117 L CB -0.585 41.458 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 4.236 4.350 0.003 0.000 0.200 126 E C 2.417 179.053 176.600 0.059 0.000 1.012 126 E CA 2.350 58.781 56.400 0.052 0.000 0.812 126 E CB -1.264 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 0.657 120.608 119.914 0.062 0.000 2.594 127 V HA -0.168 3.954 4.120 0.003 0.000 0.253 127 V C 2.551 178.667 176.094 0.038 0.000 1.069 127 V CA 1.712 64.056 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 1.507 122.091 120.570 0.023 0.000 2.584 128 I HA -0.112 4.060 4.170 0.003 0.000 0.255 128 I C 2.296 178.420 176.117 0.011 0.000 1.145 128 I CA 1.244 62.547 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 4.628 4.740 0.003 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 -0.176 114.403 114.554 0.040 0.000 2.607 130 T HA -0.161 4.191 4.350 0.003 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 -0.021 4.508 4.527 0.003 0.000 0.298 131 F C 3.152 178.950 175.800 -0.004 0.000 1.104 131 F CA 2.180 60.178 58.000 -0.003 0.000 1.232 131 F CB -1.777 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 0.403 120.204 119.800 0.001 0.000 2.077 132 Q HA -0.297 4.045 4.340 0.003 0.000 0.206 132 Q C 2.034 178.036 176.000 0.003 0.000 0.989 132 Q CA 2.087 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 0.301 119.007 118.700 0.009 0.000 2.137 133 N HA -0.172 4.570 4.740 0.003 0.000 0.190 133 N C 1.200 176.713 175.510 0.005 0.000 1.017 133 N CA 1.971 55.028 53.050 0.010 0.000 0.859 133 N CB -0.117 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 -1.157 118.643 119.800 0.000 0.000 2.175 134 Q HA 0.354 4.696 4.340 0.003 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 2.102 124.932 122.820 0.018 0.000 1.863 141 A HA -0.187 4.135 4.320 0.003 0.000 0.218 141 A C 1.713 179.302 177.584 0.008 0.000 1.233 141 A CA 2.806 54.849 52.037 0.009 0.000 0.655 141 A CB -1.066 17.937 19.000 0.005 0.000 0.839 141 A HN 0.897 nan 8.150 nan 0.000 0.454 142 D N -0.350 120.055 120.400 0.009 0.000 2.127 142 D HA -0.162 4.480 4.640 0.003 0.000 0.190 142 D C 2.140 178.467 176.300 0.045 0.000 1.000 142 D CA 2.004 56.005 54.000 0.001 0.000 0.839 142 D CB -0.851 39.943 40.800 -0.010 0.000 0.955 142 D HN 0.267 nan 8.370 nan 0.000 0.446 143 V N 1.658 121.626 119.914 0.090 0.000 2.252 143 V HA -0.344 3.778 4.120 0.003 0.000 0.249 143 V C 3.087 179.280 176.094 0.165 0.000 1.056 143 V CA 3.038 65.449 62.300 0.186 0.000 1.022 143 V CB -1.494 30.424 31.823 0.158 0.000 0.641 143 V HN 0.372 nan 8.190 nan 0.000 0.445 144 Q N -0.324 119.527 119.800 0.086 0.000 2.103 144 Q HA -0.354 3.988 4.340 0.003 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 0.023 0.000 2.131 145 L HA -0.027 4.315 4.340 0.003 0.000 0.210 145 L C 2.244 179.166 176.870 0.086 0.000 1.092 145 L CA 2.138 56.960 54.840 -0.030 0.000 0.759 145 L CB -0.735 41.230 42.059 -0.156 0.000 0.903 145 L HN 0.725 nan 8.230 nan 0.000 0.435 146 W N 0.473 121.732 121.300 -0.069 0.000 2.354 146 W HA -0.186 4.475 4.660 0.002 0.000 0.315 146 W C 2.400 178.903 176.519 -0.026 0.000 1.206 146 W CA 1.690 59.011 57.345 -0.040 0.000 1.290 146 W CB -0.459 28.991 29.460 -0.018 0.000 1.152 146 W HN 0.117 nan 8.180 nan 0.000 0.489 147 I N 0.655 121.301 120.570 0.126 0.000 2.068 147 I HA -0.409 3.763 4.170 0.003 0.000 0.238 147 I C 2.515 178.630 176.117 -0.004 0.000 1.046 147 I CA 2.422 63.711 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 0.926 120.539 119.600 0.022 0.000 2.110 148 M HA -0.269 4.213 4.480 0.003 0.000 0.257 148 M C 2.489 178.808 176.300 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 0.032 121.283 121.223 0.046 0.000 1.989 149 L HA -0.249 4.093 4.340 0.003 0.000 0.211 149 L C 2.619 179.543 176.870 0.090 0.000 1.071 149 L CA 1.803 56.689 54.840 0.076 0.000 0.749 149 L CB -0.829 41.297 42.059 0.111 0.000 0.890 149 L HN 0.403 nan 8.230 nan 0.000 0.431 150 E N 0.063 120.292 120.200 0.048 0.000 2.085 150 E HA -0.179 4.173 4.350 0.003 0.000 0.194 150 E C 2.053 178.651 176.600 -0.003 0.000 0.994 150 E CA 1.521 57.907 56.400 -0.023 0.000 0.801 150 E CB -0.329 29.246 29.700 -0.208 0.000 0.743 150 E HN 0.225 nan 8.360 nan 0.000 0.453 151 V N 0.784 120.698 119.914 -0.001 0.000 2.255 151 V HA -0.293 3.829 4.120 0.003 0.000 0.247 151 V C 2.559 178.704 176.094 0.086 0.000 1.051 151 V CA 2.057 64.372 62.300 0.025 0.000 1.018 151 V CB -0.612 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 0.473 121.775 121.223 0.132 0.000 2.131 152 L HA -0.161 4.181 4.340 0.003 0.000 0.210 152 L C 2.794 179.909 176.870 0.409 0.000 1.092 152 L CA 1.973 56.970 54.840 0.262 0.000 0.759 152 L CB -1.139 41.040 42.059 0.201 0.000 0.903 152 L HN 0.637 nan 8.230 nan 0.000 0.435 153 T N -2.515 112.207 114.554 0.279 0.000 2.812 153 T HA -0.078 4.273 4.350 0.003 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 -0.329 68.636 68.868 0.162 0.000 0.870 153 T HN 0.267 nan 8.240 nan 0.000 0.445 154 A N 0.913 123.746 122.820 0.021 0.000 2.178 154 A HA 0.195 4.517 4.320 0.003 0.000 0.218 154 A C 2.296 179.836 177.584 -0.074 0.000 1.157 154 A CA 0.820 52.835 52.037 -0.037 0.000 0.689 154 A CB -0.914 18.062 19.000 -0.039 0.000 0.787 154 A HN 0.651 nan 8.150 nan 0.000 0.465 155 I N 0.522 121.052 120.570 -0.068 0.000 2.133 155 I HA -0.127 4.045 4.170 0.003 0.000 0.238 155 I C -0.263 175.661 176.117 -0.320 0.000 1.074 155 I CA 1.345 62.569 61.300 -0.127 0.000 1.342 155 I CB -1.087 36.919 38.000 0.008 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 0.935 178.006 177.300 -0.381 0.000 1.147 156 P CA 1.509 64.192 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 -0.182 119.848 120.200 -0.283 0.000 2.170 157 E HA -0.081 4.271 4.350 0.003 0.000 0.191 157 E C 1.774 178.290 176.600 -0.141 0.000 0.981 157 E CA 0.357 56.653 56.400 -0.174 0.000 0.830 157 E CB -0.534 29.094 29.700 -0.119 0.000 0.775 157 E HN 0.109 nan 8.360 nan 0.000 0.470 158 E N 1.583 121.699 120.200 -0.139 0.000 2.047 158 E HA -0.101 4.251 4.350 0.003 0.000 0.191 158 E C 2.224 178.714 176.600 -0.184 0.000 0.987 158 E CA 1.219 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 1.141 123.839 122.820 -0.203 0.000 2.139 159 A HA -0.246 4.076 4.320 0.003 0.000 0.221 159 A C 2.331 179.808 177.584 -0.178 0.000 1.159 159 A CA 2.442 54.354 52.037 -0.209 0.000 0.662 159 A CB -0.829 18.049 19.000 -0.203 0.000 0.796 159 A HN 0.359 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 0.249 4.590 4.340 0.003 0.000 0.201 160 Q C 1.932 177.851 176.000 -0.135 0.000 0.946 160 Q CA 1.679 57.404 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 -1.087 118.719 119.914 -0.179 0.000 3.250 161 V HA 0.132 4.254 4.120 0.003 0.000 0.240 161 V C 1.052 176.866 176.094 -0.468 0.000 1.275 161 V CA -0.053 62.103 62.300 -0.241 0.000 1.206 161 V CB 0.895 32.612 31.823 -0.177 0.000 0.976 161 V HN 0.517 nan 8.190 nan 0.000 0.467 162 I N 2.221 122.561 120.570 -0.385 0.000 2.906 162 I HA -0.071 4.101 4.170 0.003 0.000 0.301 162 I C 0.592 176.461 176.117 -0.414 0.000 1.221 162 I CA -0.054 60.996 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 4.776 4.556 0.003 0.000 0.278 163 H C 0.910 176.328 175.328 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 30.186 29.762 0.048 0.000 1.445 163 H HN 0.652 nan 8.280 nan 0.000 0.469 164 T N 1.202 115.834 114.554 0.129 0.000 3.145 164 T HA 0.079 4.431 4.350 0.003 0.000 0.255 164 T C 1.621 176.396 174.700 0.124 0.000 1.039 164 T CA 0.485 62.679 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 4.341 4.470 0.003 0.000 0.329 165 S C 0.432 175.058 174.600 0.043 0.000 1.194 165 S CA 0.942 59.181 58.200 0.065 0.000 0.951 165 S CB -2.098 61.135 63.200 0.056 0.000 0.975 165 S HN 0.398 nan 8.310 nan 0.000 0.574 166 V N -0.136 119.800 119.914 0.037 0.000 2.823 166 V HA 0.863 4.985 4.120 0.003 0.000 0.312 166 V C 0.672 176.773 176.094 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 33.295 31.823 0.011 0.000 1.013 166 V HN 0.941 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 4.446 4.320 0.003 0.000 0.278 167 K C 1.109 177.708 176.600 -0.001 0.000 0.981 167 K CA 0.113 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 1.332 121.830 120.500 -0.003 0.000 2.080 168 R HA -0.124 4.218 4.340 0.003 0.000 0.236 168 R C 2.218 178.512 176.300 -0.011 0.000 1.137 168 R CA 1.392 57.484 56.100 -0.013 0.000 0.943 168 R CB -1.181 29.112 30.300 -0.011 0.000 0.846 168 R HN 0.644 nan 8.270 nan 0.000 0.431 169 V N 1.480 121.393 119.914 -0.002 0.000 2.313 169 V HA -0.253 3.869 4.120 0.003 0.000 0.253 169 V C 2.364 178.461 176.094 0.005 0.000 1.070 169 V CA 2.308 64.610 62.300 0.004 0.000 1.057 169 V CB -0.266 31.562 31.823 0.009 0.000 0.653 169 V HN 0.271 nan 8.190 nan 0.000 0.450 170 V N -2.406 117.509 119.914 0.002 0.000 2.951 170 V HA -0.029 4.093 4.120 0.003 0.000 0.255 170 V C 2.226 178.318 176.094 -0.004 0.000 1.088 170 V CA 1.507 63.809 62.300 0.004 0.000 1.109 170 V CB -0.553 31.273 31.823 0.005 0.000 0.724 170 V HN 0.473 nan 8.190 nan 0.000 0.471 171 L N 0.034 121.247 121.223 -0.017 0.000 2.179 171 L HA 0.123 4.465 4.340 0.003 0.000 0.208 171 L C 2.646 179.495 176.870 -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 -0.619 119.867 120.500 -0.024 0.000 2.062 172 R HA 0.034 4.376 4.340 0.003 0.000 0.226 172 R C 2.203 178.512 176.300 0.015 0.000 1.125 172 R CA 1.166 57.257 56.100 -0.014 0.000 0.966 172 R CB -0.714 29.582 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 4.046 4.320 0.003 0.000 0.218 173 A C 2.395 180.004 177.584 0.042 0.000 1.188 173 A CA 2.599 54.658 52.037 0.035 0.000 0.631 173 A CB -0.912 18.105 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 4.166 4.350 0.003 0.000 0.195 174 E C 1.873 178.509 176.600 0.060 0.000 1.000 174 E CA 1.590 58.011 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 0.604 121.210 120.570 0.060 0.000 2.226 175 I HA -0.152 4.020 4.170 0.003 0.000 0.245 175 I C 3.049 179.283 176.117 0.196 0.000 1.100 175 I CA 1.035 62.407 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 1.142 124.046 122.820 0.139 0.000 2.131 176 A HA -0.233 4.089 4.320 0.003 0.000 0.220 176 A C 2.435 180.102 177.584 0.138 0.000 1.158 176 A CA 2.133 54.266 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 4.591 4.320 0.003 0.000 0.192 177 K C 1.602 178.227 176.600 0.043 0.000 1.029 177 K CA 1.374 57.705 56.287 0.072 0.000 1.029 177 K CB -0.989 31.545 32.500 0.057 0.000 0.814 177 K HN 0.804 nan 8.250 nan 0.000 0.503 178 R N -0.019 120.514 120.500 0.055 0.000 2.600 178 R HA 0.489 4.831 4.340 0.003 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 -0.028 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 0.943 120.782 119.914 -0.125 0.000 2.223 179 V HA -0.350 3.772 4.120 0.003 0.000 0.244 179 V C 2.510 178.326 176.094 -0.463 0.000 1.045 179 V CA 2.262 64.391 62.300 -0.285 0.000 1.000 179 V CB -0.505 31.219 31.823 -0.165 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 4.071 4.340 0.003 0.000 0.211 180 Q C 2.277 178.126 176.000 -0.252 0.000 0.995 180 Q CA 2.158 57.699 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 -0.299 120.782 121.223 -0.235 0.000 1.989 181 L HA -0.226 4.116 4.340 0.003 0.000 0.211 181 L C 2.471 179.225 176.870 -0.194 0.000 1.071 181 L CA 1.141 55.875 54.840 -0.177 0.000 0.749 181 L CB -0.973 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 -0.337 3.785 4.120 0.003 0.000 0.248 182 V C 2.367 178.264 176.094 -0.329 0.000 1.053 182 V CA 2.508 64.502 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 -0.593 119.789 120.570 -0.314 0.000 2.058 183 I HA -0.308 3.863 4.170 0.003 0.000 0.235 183 I C 2.644 178.705 176.117 -0.092 0.000 1.053 183 I CA 2.546 63.741 61.300 -0.175 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 4.340 4.556 0.003 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 0.900 115.454 114.554 -0.000 0.000 2.614 185 T HA -0.115 4.237 4.350 0.003 0.000 0.263 185 T C 2.420 177.080 174.700 -0.067 0.000 1.055 185 T CA 2.103 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 3.892 4.120 0.003 0.000 0.249 186 V C 2.495 178.582 176.094 -0.012 0.000 1.057 186 V CA 2.219 64.529 62.300 0.017 0.000 1.032 186 V CB -0.752 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 0.161 120.311 120.200 -0.084 0.000 2.160 187 E HA -0.307 4.045 4.350 0.003 0.000 0.195 187 E C 2.316 178.827 176.600 -0.148 0.000 0.991 187 E CA 1.491 57.825 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 -0.189 120.191 120.500 -0.201 0.000 2.062 188 R HA -0.146 4.196 4.340 0.003 0.000 0.226 188 R C 2.227 178.502 176.300 -0.042 0.000 1.125 188 R CA 1.604 57.595 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 1.221 121.442 120.300 -0.131 0.000 2.053 189 Y HA -0.236 4.316 4.550 0.003 0.000 0.277 189 Y C 1.645 177.477 175.900 -0.114 0.000 1.159 189 Y CA 2.028 60.063 58.100 -0.109 0.000 1.125 189 Y CB -0.753 37.643 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 -0.347 3.995 4.340 0.003 0.000 0.222 190 L C 2.540 179.244 176.870 -0.276 0.000 1.078 190 L CA 2.370 56.931 54.840 -0.465 0.000 0.778 190 L CB -0.971 40.944 42.059 -0.240 0.000 0.893 190 L HN 0.124 nan 8.230 nan 0.000 0.436 191 K N 0.093 120.408 120.400 -0.143 0.000 2.089 191 K HA -0.219 4.103 4.320 0.003 0.000 0.210 191 K C 2.124 178.687 176.600 -0.062 0.000 1.048 191 K CA 1.457 57.700 56.287 -0.073 0.000 0.926 191 K CB -0.396 32.068 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 -0.220 4.122 4.340 0.003 0.000 0.210 192 L C 2.491 179.326 176.870 -0.057 0.000 1.092 192 L CA 1.146 55.961 54.840 -0.040 0.000 0.759 192 L CB -0.251 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 -0.811 118.877 119.800 -0.187 0.000 2.389 193 Q HA -0.090 4.252 4.340 0.003 0.000 0.204 193 Q C 2.306 178.402 176.000 0.159 0.000 0.944 193 Q CA 1.481 57.162 55.803 -0.204 0.000 0.908 193 Q CB 0.058 28.382 28.738 -0.691 0.000 1.002 193 Q HN 0.632 nan 8.270 nan 0.000 0.493 194 M N 0.367 120.049 119.600 0.137 0.000 2.549 194 M HA -0.060 4.421 4.480 0.003 0.000 0.260 194 M C 1.464 177.844 176.300 0.133 0.000 1.076 194 M CA 2.024 57.463 55.300 0.231 0.000 1.090 194 M CB -0.906 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 -0.711 118.051 118.700 0.105 0.000 2.332 195 N HA 0.092 4.834 4.740 0.003 0.000 0.190 195 N C 0.731 176.285 175.510 0.072 0.000 1.117 195 N CA 0.181 53.264 53.050 0.055 0.000 0.883 195 N CB 0.422 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 -0.337 120.235 120.500 0.120 0.000 2.524 196 R HA 0.596 4.938 4.340 0.003 0.000 0.236 196 R C 0.101 176.527 176.300 0.211 0.000 1.240 196 R CA -0.438 55.733 56.100 0.118 0.000 1.111 196 R CB -0.139 30.209 30.300 0.079 0.000 1.436 196 R HN -0.095 nan 8.270 nan 0.000 0.573 197 V N 0.747 120.763 119.914 0.170 0.000 2.530 197 V HA 0.111 4.233 4.120 0.003 0.000 0.282 197 V C -0.740 175.538 176.094 0.306 0.000 1.048 197 V CA -0.260 62.163 62.300 0.205 0.000 0.997 197 V CB 0.154 32.046 31.823 0.116 0.000 0.987 197 V HN 0.555 nan 8.190 nan 0.000 0.477 198 W N 4.759 126.023 121.300 -0.061 0.000 2.290 198 W HA 0.427 5.089 4.660 0.003 0.000 0.408 198 W C 0.466 177.023 176.519 0.064 0.000 0.966 198 W CA -0.819 56.453 57.345 -0.121 0.000 1.579 198 W CB 0.139 29.411 29.460 -0.314 0.000 1.662 198 W HN 0.858 nan 8.180 nan 0.000 0.341 199 D N 1.192 121.694 120.400 0.170 0.000 2.368 199 D HA 0.245 4.887 4.640 0.003 0.000 0.240 199 D C 1.509 177.947 176.300 0.230 0.000 1.169 199 D CA 0.512 54.605 54.000 0.155 0.000 0.906 199 D CB 1.453 42.292 40.800 0.064 0.000 1.187 199 D HN 0.249 nan 8.370 nan 0.000 0.435 200 A N 2.707 125.624 122.820 0.162 0.000 1.883 200 A HA -0.159 4.163 4.320 0.003 0.000 0.217 200 A C 2.124 179.746 177.584 0.064 0.000 1.186 200 A CA 2.444 54.550 52.037 0.114 0.000 0.624 200 A CB -1.541 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 -0.535 119.661 120.200 -0.006 0.000 2.338 201 E HA 0.180 4.532 4.350 0.003 0.000 0.197 201 E C 2.039 178.580 176.600 -0.098 0.000 1.007 201 E CA 1.620 57.961 56.400 -0.098 0.000 0.849 201 E CB -0.927 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 -0.579 122.217 122.820 -0.040 0.000 1.898 202 A HA 0.111 4.433 4.320 0.003 0.000 0.214 202 A C 2.235 179.685 177.584 -0.223 0.000 1.183 202 A CA 1.278 53.230 52.037 -0.142 0.000 0.622 202 A CB -0.494 18.368 19.000 -0.229 0.000 0.824 202 A HN 0.529 nan 8.150 nan 0.000 0.444 203 Y N 0.936 121.108 120.300 -0.214 0.000 2.097 203 Y HA -0.212 4.340 4.550 0.004 0.000 0.282 203 Y C 3.108 178.901 175.900 -0.179 0.000 1.152 203 Y CA 1.836 59.817 58.100 -0.198 0.000 1.136 203 Y CB -0.635 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 0.149 115.844 115.700 -0.008 0.000 2.359 204 S HA -0.236 4.236 4.470 0.003 0.000 0.223 204 S C 1.867 176.348 174.600 -0.199 0.000 1.039 204 S CA 1.565 59.672 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 0.844 119.418 118.700 -0.210 0.000 2.244 205 N HA 0.065 4.807 4.740 0.003 0.000 0.183 205 N C 1.592 177.137 175.510 0.058 0.000 1.016 205 N CA 0.904 53.885 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 0.202 119.796 119.600 -0.009 0.000 2.319 206 M HA -0.086 4.396 4.480 0.003 0.000 0.265 206 M C 1.870 178.153 176.300 -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 32.114 32.600 -0.406 0.000 1.395 206 M HN 0.206 nan 8.290 nan 0.000 0.435 207 N N 0.192 118.884 118.700 -0.012 0.000 2.080 207 N HA -0.147 4.595 4.740 0.003 0.000 0.189 207 N C 1.894 177.444 175.510 0.066 0.000 1.036 207 N CA 0.799 53.863 53.050 0.023 0.000 0.846 207 N CB 0.205 38.708 38.487 0.027 0.000 1.015 207 N HN 0.171 nan 8.380 nan 0.000 0.423 208 R N 0.991 121.551 120.500 0.099 0.000 2.096 208 R HA -0.132 4.210 4.340 0.003 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 -1.164 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 4.141 4.320 0.003 0.000 0.217 209 A C 2.505 180.138 177.584 0.082 0.000 1.202 209 A CA 2.327 54.436 52.037 0.120 0.000 0.629 209 A CB -0.952 18.175 19.000 0.212 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 3.840 4.120 0.003 0.000 0.249 210 V C 2.448 178.583 176.094 0.068 0.000 1.059 210 V CA 2.392 64.718 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 4.147 4.320 0.003 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 1.039 120.430 119.300 0.151 0.000 2.388 212 C HA -0.177 4.285 4.460 0.003 0.000 0.277 212 C C 2.572 177.737 174.990 0.290 0.000 1.210 212 C CA 0.994 60.148 59.018 0.227 0.000 1.743 212 C CB -0.828 27.008 27.740 0.159 0.000 2.047 212 C HN 0.261 nan 8.230 nan 0.000 0.458 213 V N 1.528 121.529 119.914 0.144 0.000 2.220 213 V HA -0.170 3.952 4.120 0.003 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 -0.484 108.410 108.800 0.156 0.000 2.574 214 G HA2 -0.354 3.608 3.960 0.003 0.000 0.220 214 G HA3 -0.354 3.608 3.960 0.003 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 0.031 114.686 114.554 0.169 0.000 2.699 215 T HA -0.201 4.151 4.350 0.003 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 0.887 122.204 121.300 0.028 0.000 2.465 216 W HA 0.100 4.762 4.660 0.003 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 -0.396 29.071 29.460 0.011 0.000 1.118 216 W HN 0.189 nan 8.180 nan 0.000 0.587 217 I N 0.937 121.668 120.570 0.269 0.000 2.333 217 I HA -0.199 3.973 4.170 0.003 0.000 0.246 217 I C 2.260 178.463 176.117 0.144 0.000 1.106 217 I CA 1.598 63.022 61.300 0.206 0.000 1.411 217 I CB -1.441 36.669 38.000 0.183 0.000 1.082 217 I HN 0.160 nan 8.210 nan 0.000 0.420 218 K N 0.305 120.768 120.400 0.105 0.000 2.186 218 K HA -0.004 4.318 4.320 0.003 0.000 0.202 218 K C 1.566 178.188 176.600 0.037 0.000 1.052 218 K CA 0.807 57.134 56.287 0.067 0.000 0.965 218 K CB -0.111 32.420 32.500 0.052 0.000 0.746 218 K HN 0.225 nan 8.250 nan 0.000 0.457 219 N N 0.895 119.601 118.700 0.009 0.000 2.182 219 N HA 0.021 4.763 4.740 0.003 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 0.711 121.288 120.570 0.011 0.000 2.498 220 I HA 0.320 4.492 4.170 0.003 0.000 0.301 220 I C 0.829 177.040 176.117 0.157 0.000 0.984 220 I CA -0.675 60.674 61.300 0.081 0.000 1.204 220 I CB 1.000 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 4.471 113.366 108.800 0.158 0.000 2.356 221 G HA2 0.452 4.414 3.960 0.003 0.000 0.322 221 G HA3 0.452 4.414 3.960 0.003 0.000 0.322 221 G C -1.682 173.380 174.900 0.269 0.000 1.125 221 G CA -0.136 45.076 45.100 0.187 0.000 0.885 221 G HN 0.447 nan 8.290 nan 0.000 0.467 222 Y N 0.796 121.158 120.300 0.103 0.000 2.499 222 Y HA 0.543 5.094 4.550 0.003 0.000 0.347 222 Y C 0.547 176.473 175.900 0.044 0.000 0.987 222 Y CA -0.930 57.217 58.100 0.078 0.000 1.044 222 Y CB 1.765 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 6.343 120.453 114.554 -0.739 0.000 2.934 223 T HA 0.116 4.468 4.350 0.003 0.000 0.306 223 T C 1.845 176.147 174.700 -0.662 0.000 1.042 223 T CA 0.403 62.092 62.100 -0.686 0.000 1.145 223 T CB 0.247 68.692 68.868 -0.705 0.000 0.982 223 T HN 0.628 nan 8.240 nan 0.000 0.544 224 I N 1.823 122.096 120.570 -0.496 0.000 2.361 224 I HA -0.174 3.998 4.170 0.003 0.000 0.251 224 I C 2.368 178.328 176.117 -0.261 0.000 1.133 224 I CA 1.269 62.414 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 4.169 4.350 0.003 0.000 0.198 225 E C 2.116 178.628 176.600 -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 0.655 nan 8.360 nan 0.000 0.477 226 G N -0.364 108.332 108.800 -0.173 0.000 3.126 226 G HA2 -0.044 3.918 3.960 0.003 0.000 0.224 226 G HA3 -0.044 3.918 3.960 0.003 0.000 0.224 226 G C 1.162 176.177 174.900 0.192 0.000 1.142 226 G CA -0.193 44.965 45.100 0.096 0.000 0.759 226 G HN 0.243 nan 8.290 nan 0.000 0.550 227 C N 0.235 119.594 119.300 0.098 0.000 2.696 227 C HA 0.157 4.619 4.460 0.003 0.000 0.264 227 C C 2.664 177.682 174.990 0.047 0.000 1.288 227 C CA -0.186 58.900 59.018 0.113 0.000 1.717 227 C CB -0.529 27.284 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 3.910 4.120 0.003 0.000 0.248 228 V C 2.469 178.549 176.094 -0.024 0.000 1.055 228 V CA 2.612 64.901 62.300 -0.018 0.000 1.049 228 V CB -1.280 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 1.263 115.820 114.554 0.004 0.000 2.595 229 T HA -0.170 4.182 4.350 0.003 0.000 0.264 229 T C 1.830 176.520 174.700 -0.016 0.000 1.058 229 T CA 2.131 64.230 62.100 -0.002 0.000 1.166 229 T CB -0.404 68.475 68.868 0.019 0.000 0.863 229 T HN 0.361 nan 8.240 nan 0.000 0.415 230 I N 1.825 122.394 120.570 -0.002 0.000 2.163 230 I HA -0.166 4.006 4.170 0.003 0.000 0.243 230 I C 2.708 178.809 176.117 -0.026 0.000 1.085 230 I CA 1.301 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 0.987 115.520 114.554 -0.034 0.000 2.620 231 T HA -0.327 4.025 4.350 0.003 0.000 0.267 231 T C 2.077 176.685 174.700 -0.153 0.000 1.044 231 T CA 2.209 64.245 62.100 -0.108 0.000 1.161 231 T CB -0.737 68.023 68.868 -0.180 0.000 0.862 231 T HN 0.526 nan 8.240 nan 0.000 0.438 232 A N 0.743 123.489 122.820 -0.124 0.000 1.902 232 A HA -0.057 4.265 4.320 0.003 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 -0.987 17.971 19.000 -0.069 0.000 0.818 232 A HN 0.385 nan 8.150 nan 0.000 0.443 233 V N 0.340 120.232 119.914 -0.036 0.000 2.261 233 V HA -0.278 3.844 4.120 0.003 0.000 0.246 233 V C 2.564 178.657 176.094 -0.001 0.000 1.047 233 V CA 1.961 64.251 62.300 -0.016 0.000 1.015 233 V CB -1.011 30.793 31.823 -0.031 0.000 0.642 233 V HN 0.568 nan 8.190 nan 0.000 0.446 234 L N -0.735 120.479 121.223 -0.016 0.000 2.013 234 L HA -0.239 4.103 4.340 0.003 0.000 0.212 234 L C 2.535 179.406 176.870 0.002 0.000 1.073 234 L CA 1.618 56.456 54.840 -0.004 0.000 0.753 234 L CB -0.713 41.342 42.059 -0.005 0.000 0.890 234 L HN 0.295 nan 8.230 nan 0.000 0.432 235 L N 0.070 121.277 121.223 -0.026 0.000 1.990 235 L HA -0.273 4.068 4.340 0.003 0.000 0.213 235 L C 2.790 179.701 176.870 0.068 0.000 1.072 235 L CA 2.145 56.969 54.840 -0.028 0.000 0.755 235 L CB -0.582 41.450 42.059 -0.045 0.000 0.889 235 L HN 0.429 nan 8.230 nan 0.000 0.432 236 E N -0.815 119.457 120.200 0.121 0.000 2.150 236 E HA -0.159 4.193 4.350 0.003 0.000 0.193 236 E C 2.050 178.759 176.600 0.182 0.000 0.985 236 E CA 1.336 57.850 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 3.867 4.120 0.003 0.000 0.246 237 V C 2.490 178.703 176.094 0.200 0.000 1.049 237 V CA 1.522 63.953 62.300 0.219 0.000 1.024 237 V CB -0.311 31.593 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 3.783 4.120 0.003 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 30.769 31.823 -0.099 0.000 0.636 238 V HN 0.582 nan 8.190 nan 0.000 0.445 239 H N 0.752 119.938 119.070 0.194 0.000 2.292 239 H HA -0.217 4.341 4.556 0.003 0.000 0.292 239 H C 2.327 177.837 175.328 0.304 0.000 1.100 239 H CA 2.077 58.338 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 -0.298 120.262 120.400 0.265 0.000 2.442 240 K HA -0.096 4.226 4.320 0.003 0.000 0.199 240 K C 2.118 178.741 176.600 0.040 0.000 1.044 240 K CA 0.864 57.162 56.287 0.018 0.000 0.941 240 K CB 0.098 32.410 32.500 -0.314 0.000 0.759 240 K HN 0.262 nan 8.250 nan 0.000 0.472 241 C N -1.346 118.059 119.300 0.175 0.000 2.700 241 C HA 0.073 4.535 4.460 0.003 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 -0.440 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 -0.439 119.840 120.300 -0.035 0.000 2.389 242 Y HA 0.100 4.652 4.550 0.003 0.000 0.292 242 Y C 1.850 177.581 175.900 -0.282 0.000 1.117 242 Y CA 0.882 58.848 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 1.869 123.101 121.300 -0.113 0.000 2.519 243 W HA 0.017 4.679 4.660 0.004 0.000 0.266 243 W C -0.394 176.007 176.519 -0.197 0.000 1.253 243 W CA 0.812 58.028 57.345 -0.214 0.000 1.274 243 W CB -1.248 28.169 29.460 -0.072 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 1.506 178.770 177.300 -0.060 0.000 1.157 244 P CA 1.802 64.898 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 0.839 120.065 119.300 -0.124 0.000 2.481 245 C HA 0.405 4.867 4.460 0.003 0.000 0.275 245 C C 1.817 176.695 174.990 -0.188 0.000 1.419 245 C CA 0.436 59.370 59.018 -0.140 0.000 1.773 245 C CB -1.601 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 4.798 4.170 0.003 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 -0.229 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 5.232 4.460 0.003 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 3.458 123.049 119.600 -0.015 0.000 2.471 253 M HA 0.584 5.066 4.480 0.003 0.000 0.309 253 M C 0.569 176.848 176.300 -0.034 0.000 1.186 253 M CA -0.159 55.127 55.300 -0.023 0.000 1.008 253 M CB 0.674 33.277 32.600 0.004 0.000 1.551 253 M HN 0.701 nan 8.290 nan 0.000 0.477 254 T N -0.982 113.536 114.554 -0.059 0.000 2.855 254 T HA 0.344 4.696 4.350 0.003 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 69.500 68.868 -0.141 0.000 0.987 254 T HN 0.766 nan 8.240 nan 0.000 0.546 255 A N 1.378 124.153 122.820 -0.075 0.000 1.940 255 A HA -0.126 4.196 4.320 0.003 0.000 0.219 255 A C 2.078 179.618 177.584 -0.073 0.000 1.176 255 A CA 1.727 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 -0.035 120.281 120.400 -0.139 0.000 2.123 256 D HA -0.181 4.461 4.640 0.003 0.000 0.196 256 D C 1.782 178.012 176.300 -0.116 0.000 0.992 256 D CA 1.695 55.581 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 0.501 120.625 120.200 -0.127 0.000 2.107 257 E HA -0.105 4.247 4.350 0.003 0.000 0.191 257 E C 2.001 178.658 176.600 0.095 0.000 0.982 257 E CA 0.261 56.722 56.400 0.101 0.000 0.809 257 E CB 0.023 29.777 29.700 0.091 0.000 0.756 257 E HN 0.123 nan 8.360 nan 0.000 0.459 258 N N 1.581 120.295 118.700 0.024 0.000 2.106 258 N HA -0.196 4.546 4.740 0.003 0.000 0.188 258 N C 1.857 177.361 175.510 -0.010 0.000 1.029 258 N CA 1.517 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 0.472 120.670 120.200 -0.004 0.000 2.038 259 E HA -0.209 4.143 4.350 0.003 0.000 0.195 259 E C 2.175 178.774 176.600 -0.001 0.000 1.000 259 E CA 1.111 57.506 56.400 -0.008 0.000 0.803 259 E CB -0.670 29.031 29.700 0.003 0.000 0.750 259 E HN 0.200 nan 8.360 nan 0.000 0.448 260 L N 1.210 122.465 121.223 0.054 0.000 2.079 260 L HA -0.131 4.211 4.340 0.003 0.000 0.210 260 L C 2.451 179.342 176.870 0.035 0.000 1.081 260 L CA 2.183 57.066 54.840 0.073 0.000 0.752 260 L CB -0.695 41.476 42.059 0.187 0.000 0.896 260 L HN 0.327 nan 8.230 nan 0.000 0.433 261 A N -0.726 122.110 122.820 0.027 0.000 1.841 261 A HA -0.212 4.110 4.320 0.003 0.000 0.214 261 A C 2.086 179.598 177.584 -0.120 0.000 1.195 261 A CA 1.670 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 0.472 120.548 120.200 -0.206 0.000 2.035 262 E HA -0.259 4.093 4.350 0.003 0.000 0.204 262 E C 2.369 178.804 176.600 -0.276 0.000 1.025 262 E CA 2.067 58.198 56.400 -0.449 0.000 0.835 262 E CB -0.445 28.973 29.700 -0.470 0.000 0.764 262 E HN 0.775 nan 8.360 nan 0.000 0.457 263 S N 0.784 116.401 115.700 -0.139 0.000 2.392 263 S HA -0.255 4.217 4.470 0.003 0.000 0.232 263 S C 2.312 176.894 174.600 -0.031 0.000 1.041 263 S CA 1.500 59.667 58.200 -0.055 0.000 1.026 263 S CB -0.931 62.263 63.200 -0.011 0.000 0.845 263 S HN 0.327 nan 8.310 nan 0.000 0.465 264 C N 1.465 120.743 119.300 -0.037 0.000 2.453 264 C HA 0.112 4.574 4.460 0.003 0.000 0.277 264 C C 3.305 178.293 174.990 -0.003 0.000 1.262 264 C CA 1.007 60.019 59.018 -0.011 0.000 1.718 264 C CB -1.822 25.912 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 4.229 4.340 0.003 0.000 0.208 265 L C 2.449 179.333 176.870 0.023 0.000 1.073 265 L CA 2.487 57.313 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 0.466 nan 8.230 nan 0.000 0.432 266 K N -0.474 119.923 120.400 -0.006 0.000 2.063 266 K HA -0.168 4.154 4.320 0.003 0.000 0.208 266 K C 2.221 178.861 176.600 0.068 0.000 1.048 266 K CA 1.776 58.093 56.287 0.049 0.000 0.928 266 K CB -0.576 31.944 32.500 0.034 0.000 0.713 266 K HN 0.670 nan 8.250 nan 0.000 0.442 267 T N 1.705 116.298 114.554 0.065 0.000 2.720 267 T HA -0.137 4.215 4.350 0.003 0.000 0.268 267 T C 1.885 176.660 174.700 0.125 0.000 1.037 267 T CA 1.385 63.539 62.100 0.091 0.000 1.144 267 T CB -0.117 68.799 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 4.386 4.480 0.003 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 -0.764 32.098 32.600 0.437 0.000 1.361 268 M HN 0.116 nan 8.290 nan 0.000 0.408 269 V N 1.208 121.182 119.914 0.099 0.000 2.233 269 V HA -0.298 3.824 4.120 0.003 0.000 0.247 269 V C 2.048 178.181 176.094 0.065 0.000 1.050 269 V CA 1.965 64.287 62.300 0.036 0.000 1.010 269 V CB -1.045 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 0.116 118.867 118.700 0.086 0.000 2.132 270 N HA -0.179 4.563 4.740 0.003 0.000 0.191 270 N C 1.769 177.348 175.510 0.116 0.000 1.015 270 N CA 1.771 54.877 53.050 0.093 0.000 0.864 270 N CB -0.388 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 3.948 4.170 0.003 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 0.044 nan 8.210 nan 0.000 0.409 272 I N 0.163 120.827 120.570 0.156 0.000 2.406 272 I HA -0.216 3.956 4.170 0.003 0.000 0.249 272 I C 2.490 178.685 176.117 0.130 0.000 1.122 272 I CA 0.969 62.376 61.300 0.178 0.000 1.431 272 I CB -0.200 37.854 38.000 0.090 0.000 1.087 272 I HN 0.212 nan 8.210 nan 0.000 0.424 273 I N 1.252 121.860 120.570 0.064 0.000 2.567 273 I HA -0.203 3.969 4.170 0.003 0.000 0.257 273 I C 1.054 177.186 176.117 0.025 0.000 1.184 273 I CA 0.692 62.005 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 4.175 4.340 0.003 0.000 0.363 274 Q C -1.576 174.454 176.000 0.050 0.000 1.206 274 Q CA -0.323 55.526 55.803 0.076 0.000 1.070 274 Q CB -0.172 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 2.026 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 -0.814 119.635 120.400 0.082 0.000 2.178 276 D HA -0.187 4.455 4.640 0.003 0.000 0.202 276 D C 1.846 178.253 176.300 0.179 0.000 0.974 276 D CA 1.502 55.569 54.000 0.111 0.000 0.841 276 D CB -1.753 39.145 40.800 0.162 0.000 0.953 276 D HN 0.177 nan 8.370 nan 0.000 0.478 277 C N 0.067 119.512 119.300 0.242 0.000 2.396 277 C HA -0.073 4.389 4.460 0.003 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 -2.255 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 0.964 120.111 119.070 0.129 0.000 2.394 278 H HA -0.172 4.386 4.556 0.003 0.000 0.297 278 H C 1.804 177.217 175.328 0.143 0.000 1.113 278 H CA 2.022 58.130 56.048 0.099 0.000 1.277 278 H CB -0.915 28.832 29.762 -0.026 0.000 1.370 278 H HN 0.696 nan 8.280 nan 0.000 0.506 279 N N -0.400 118.310 118.700 0.018 0.000 2.461 279 N HA -0.019 4.723 4.740 0.003 0.000 0.188 279 N C -0.489 174.922 175.510 -0.165 0.000 1.134 279 N CA 0.244 53.225 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 0.494 120.859 120.300 0.108 0.000 2.883 280 Y HA 0.252 4.804 4.550 0.003 0.000 0.385 280 Y C -1.284 174.662 175.900 0.078 0.000 1.067 280 Y CA -1.957 56.193 58.100 0.082 0.000 1.682 280 Y CB 0.682 39.187 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 1.745 64.921 63.100 0.127 0.000 0.835 281 P CB 0.355 32.104 31.700 0.082 0.000 0.778 282 K N -1.130 119.362 120.400 0.153 0.000 1.991 282 K HA -0.024 4.298 4.320 0.003 0.000 0.207 282 K C 2.112 178.804 176.600 0.153 0.000 1.045 282 K CA 1.678 58.054 56.287 0.148 0.000 0.937 282 K CB -1.829 30.747 32.500 0.127 0.000 0.720 282 K HN 0.059 nan 8.250 nan 0.000 0.438 283 T N 1.084 115.712 114.554 0.124 0.000 2.867 283 T HA -0.054 4.298 4.350 0.003 0.000 0.268 283 T C 2.043 176.779 174.700 0.060 0.000 1.057 283 T CA 1.147 63.284 62.100 0.062 0.000 1.136 283 T CB -0.476 68.377 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 4.249 4.320 0.003 0.000 0.217 284 A C 2.011 179.561 177.584 -0.058 0.000 1.191 284 A CA 1.554 53.503 52.037 -0.148 0.000 0.623 284 A CB -1.072 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 0.807 120.716 119.950 -0.069 0.000 2.102 285 F HA -0.151 4.378 4.527 0.003 0.000 0.298 285 F C 2.246 178.060 175.800 0.022 0.000 1.105 285 F CA 1.880 59.868 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 1.162 121.080 119.914 0.007 0.000 2.219 286 V HA -0.367 3.754 4.120 0.003 0.000 0.248 286 V C 2.593 178.622 176.094 -0.109 0.000 1.053 286 V CA 2.323 64.580 62.300 -0.071 0.000 1.009 286 V CB -1.003 30.842 31.823 0.037 0.000 0.636 286 V HN 0.408 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 4.107 4.340 0.003 0.000 0.212 287 L C 2.435 179.495 176.870 0.317 0.000 1.071 287 L CA 2.047 56.950 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 0.388 121.114 120.570 0.260 0.000 2.194 288 I HA -0.364 3.808 4.170 0.003 0.000 0.246 288 I C 3.142 179.299 176.117 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 1.592 121.842 120.400 -0.250 0.000 2.097 289 K HA -0.153 4.169 4.320 0.003 0.000 0.206 289 K C 1.906 178.437 176.600 -0.115 0.000 1.049 289 K CA 1.909 58.006 56.287 -0.318 0.000 0.933 289 K CB -1.081 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 4.694 4.480 0.003 0.000 0.266 290 M C 2.099 178.382 176.300 -0.029 0.000 1.076 290 M CA 1.292 56.540 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 0.137 nan 8.290 nan 0.000 0.440 291 F N 1.436 121.416 119.950 0.051 0.000 2.075 291 F HA -0.162 4.367 4.527 0.003 0.000 0.297 291 F C 2.347 178.307 175.800 0.267 0.000 1.113 291 F CA 1.260 59.366 58.000 0.177 0.000 1.218 291 F CB -0.757 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 1.221 122.636 121.223 0.319 0.000 1.970 292 L HA -0.204 4.138 4.340 0.003 0.000 0.212 292 L C 2.213 179.123 176.870 0.066 0.000 1.071 292 L CA 2.655 57.489 54.840 -0.010 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 4.567 4.640 0.003 0.000 0.222 293 D C 2.175 178.545 176.300 0.117 0.000 0.980 293 D CA 1.121 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 0.225 4.696 4.470 0.003 0.000 0.226 294 S C 1.681 176.495 174.600 0.358 0.000 1.054 294 S CA -0.111 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 0.925 122.331 121.223 0.305 0.000 2.477 295 L HA 0.230 4.572 4.340 0.003 0.000 0.220 295 L C 2.318 179.364 176.870 0.294 0.000 1.106 295 L CA 0.228 55.233 54.840 0.275 0.000 0.851 295 L CB -0.195 42.062 42.059 0.331 0.000 0.994 295 L HN 0.199 nan 8.230 nan 0.000 0.462 296 S N 0.540 116.409 115.700 0.283 0.000 2.369 296 S HA -0.335 4.137 4.470 0.003 0.000 0.225 296 S C 2.325 177.043 174.600 0.197 0.000 1.043 296 S CA 2.137 60.457 58.200 0.201 0.000 1.074 296 S CB -0.498 62.776 63.200 0.122 0.000 0.962 296 S HN 0.626 nan 8.310 nan 0.000 0.433 297 E N 1.285 121.646 120.200 0.269 0.000 2.055 297 E HA -0.256 4.096 4.350 0.003 0.000 0.209 297 E C 1.835 178.633 176.600 0.329 0.000 1.036 297 E CA 1.995 58.616 56.400 0.368 0.000 0.849 297 E CB -1.403 28.644 29.700 0.579 0.000 0.767 297 E HN 0.647 nan 8.360 nan 0.000 0.461 298 I N 0.773 121.508 120.570 0.275 0.000 2.185 298 I HA -0.280 3.892 4.170 0.003 0.000 0.246 298 I C 2.865 178.883 176.117 -0.166 0.000 1.088 298 I CA 2.070 63.298 61.300 -0.120 0.000 1.347 298 I CB -0.669 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 0.453 114.966 114.554 -0.069 0.000 2.708 299 T HA -0.174 4.178 4.350 0.003 0.000 0.266 299 T C 2.180 176.921 174.700 0.069 0.000 1.037 299 T CA 1.814 63.868 62.100 -0.077 0.000 1.146 299 T CB -0.090 68.802 68.868 0.041 0.000 0.865 299 T HN 0.270 nan 8.240 nan 0.000 0.435 300 K N 1.133 121.589 120.400 0.092 0.000 2.063 300 K HA -0.090 4.232 4.320 0.003 0.000 0.208 300 K C 2.752 179.472 176.600 0.201 0.000 1.048 300 K CA 1.629 57.984 56.287 0.112 0.000 0.928 300 K CB -1.449 31.100 32.500 0.083 0.000 0.713 300 K HN 0.602 nan 8.250 nan 0.000 0.442 301 T N 1.207 115.869 114.554 0.180 0.000 2.867 301 T HA -0.068 4.284 4.350 0.003 0.000 0.268 301 T C 1.592 176.387 174.700 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 0.018 120.283 120.200 0.108 0.000 2.385 302 E HA -0.006 4.346 4.350 0.003 0.000 0.194 302 E C 1.602 178.275 176.600 0.121 0.000 1.013 302 E CA 0.048 56.488 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 4.627 4.660 0.004 0.000 0.240 303 W C 0.443 176.994 176.519 0.053 0.000 1.305 303 W CA 1.205 58.588 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 -0.221 nan 8.180 nan 0.000 0.688 304 K N 1.325 121.799 120.400 0.123 0.000 2.230 304 K HA 0.058 4.379 4.320 0.003 0.000 0.253 304 K C 0.830 177.396 176.600 -0.056 0.000 1.008 304 K CA 0.042 56.363 56.287 0.056 0.000 0.910 304 K CB 0.066 32.618 32.500 0.086 0.000 0.994 304 K HN 0.017 nan 8.250 nan 0.000 0.495 305 R N 0.373 120.838 120.500 -0.058 0.000 2.276 305 R HA 0.086 4.428 4.340 0.003 0.000 0.196 305 R C 0.940 177.211 176.300 -0.049 0.000 0.961 305 R CA 1.172 57.222 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 1.323 121.510 120.200 -0.022 0.000 1.964 306 E HA 0.092 4.443 4.350 0.003 0.000 0.264 306 E C -0.573 176.020 176.600 -0.012 0.000 1.120 306 E CA -0.395 55.996 56.400 -0.015 0.000 1.061 306 E CB -1.251 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 0.713 119.398 118.700 -0.025 0.000 2.365 307 N HA 0.111 4.853 4.740 0.003 0.000 0.265 307 N C 0.607 176.109 175.510 -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 4.726 4.640 0.003 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 -0.040 118.670 118.700 0.015 0.000 2.542 309 N HA 0.289 5.031 4.740 0.003 0.000 0.288 309 N C -0.541 174.948 175.510 -0.035 0.000 1.115 309 N CA -0.208 52.841 53.050 -0.002 0.000 0.924 309 N CB 2.191 40.689 38.487 0.019 0.000 1.526 309 N HN 0.154 nan 8.380 nan 0.000 0.515 310 E N 0.765 120.944 120.200 -0.035 0.000 2.460 310 E HA 0.085 4.437 4.350 0.003 0.000 0.200 310 E C 0.732 177.308 176.600 -0.040 0.000 1.011 310 E CA 0.540 56.915 56.400 -0.042 0.000 0.912 310 E CB 0.351 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 -0.299 120.088 120.400 -0.022 0.000 2.103 311 D HA -0.109 4.533 4.640 0.003 0.000 0.199 311 D C 1.807 178.140 176.300 0.054 0.000 0.978 311 D CA 1.422 55.440 54.000 0.030 0.000 0.829 311 D CB 0.237 41.061 40.800 0.040 0.000 0.981 311 D HN 0.161 nan 8.370 nan 0.000 0.464 312 I N 2.134 122.673 120.570 -0.052 0.000 2.179 312 I HA -0.232 3.940 4.170 0.003 0.000 0.242 312 I C 2.738 178.728 176.117 -0.212 0.000 1.088 312 I CA 0.809 62.022 61.300 -0.145 0.000 1.357 312 I CB -1.577 36.240 38.000 -0.306 0.000 1.051 312 I HN 0.263 nan 8.210 nan 0.000 0.409 313 I N -0.162 120.246 120.570 -0.270 0.000 2.454 313 I HA -0.131 4.041 4.170 0.003 0.000 0.254 313 I C 2.416 178.354 176.117 -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 36.700 38.000 -0.364 0.000 1.082 313 I HN 0.167 nan 8.210 nan 0.000 0.432 314 V N 1.358 121.200 119.914 -0.121 0.000 2.358 314 V HA -0.218 3.903 4.120 0.003 0.000 0.246 314 V C 2.643 178.641 176.094 -0.159 0.000 1.047 314 V CA 1.877 64.128 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 -0.631 118.367 119.070 -0.120 0.000 2.428 315 H HA 0.052 4.610 4.556 0.003 0.000 0.296 315 H C 2.360 177.548 175.328 -0.234 0.000 1.062 315 H CA 1.649 57.616 56.048 -0.135 0.000 1.350 315 H CB 0.169 29.859 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 3.885 4.170 0.003 0.000 0.240 316 I C 2.142 177.884 176.117 -0.624 0.000 1.081 316 I CA 1.198 62.188 61.300 -0.515 0.000 1.353 316 I CB -0.551 37.117 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 4.237 4.550 0.003 0.000 0.289 317 Y C 2.785 178.592 175.900 -0.156 0.000 1.146 317 Y CA 0.913 58.922 58.100 -0.152 0.000 1.182 317 Y CB -0.086 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 -0.303 119.290 119.600 -0.011 0.000 2.099 318 M HA -0.212 4.270 4.480 0.003 0.000 0.262 318 M C 2.193 178.450 176.300 -0.072 0.000 1.067 318 M CA 1.477 56.754 55.300 -0.039 0.000 1.124 318 M CB -0.186 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 0.677 121.800 121.223 -0.168 0.000 2.012 319 L HA -0.178 4.164 4.340 0.003 0.000 0.210 319 L C 1.791 178.571 176.870 -0.150 0.000 1.073 319 L CA 2.037 56.752 54.840 -0.207 0.000 0.748 319 L CB -1.091 40.785 42.059 -0.305 0.000 0.891 319 L HN 0.266 nan 8.230 nan 0.000 0.431 320 F N -0.711 119.177 119.950 -0.104 0.000 2.031 320 F HA -0.145 4.384 4.527 0.004 0.000 0.295 320 F C 2.598 178.303 175.800 -0.158 0.000 1.133 320 F CA 1.433 59.349 58.000 -0.141 0.000 1.188 320 F CB -1.652 37.289 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 3.761 4.120 0.003 0.000 0.251 321 V C 2.520 178.656 176.094 0.071 0.000 1.062 321 V CA 2.361 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 4.272 4.470 0.003 0.000 0.220 322 S C 2.089 176.711 174.600 0.037 0.000 1.031 322 S CA 1.500 59.719 58.200 0.032 0.000 0.996 322 S CB -0.922 62.279 63.200 0.001 0.000 0.882 322 S HN 0.739 nan 8.310 nan 0.000 0.445 323 S N 2.060 117.764 115.700 0.007 0.000 2.465 323 S HA -0.007 4.465 4.470 0.003 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 1.343 121.329 119.914 0.120 0.000 2.535 324 V HA 0.143 4.265 4.120 0.003 0.000 0.246 324 V C 2.744 178.927 176.094 0.149 0.000 1.045 324 V CA 2.012 64.413 62.300 0.167 0.000 1.058 324 V CB -1.780 30.179 31.823 0.228 0.000 0.689 324 V HN 0.593 nan 8.190 nan 0.000 0.461 325 E N 0.788 121.059 120.200 0.117 0.000 2.058 325 E HA -0.285 4.067 4.350 0.003 0.000 0.194 325 E C 2.448 179.048 176.600 0.000 0.000 0.997 325 E CA 2.952 59.385 56.400 0.055 0.000 0.801 325 E CB -1.065 28.666 29.700 0.052 0.000 0.746 325 E HN 0.893 nan 8.360 nan 0.000 0.450 326 R N 0.538 121.013 120.500 -0.042 0.000 2.193 326 R HA -0.054 4.288 4.340 0.003 0.000 0.229 326 R C 1.285 177.343 176.300 -0.403 0.000 1.110 326 R CA 1.521 57.492 56.100 -0.215 0.000 0.988 326 R CB -0.714 29.423 30.300 -0.271 0.000 0.871 326 R HN 0.766 nan 8.270 nan 0.000 0.458 327 H N -1.127 117.974 119.070 0.052 0.000 2.355 327 H HA 0.432 4.990 4.556 0.003 0.000 0.232 327 H C 1.307 176.669 175.328 0.056 0.000 1.422 327 H CA 0.157 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 4.314 4.470 0.003 0.000 0.223 328 S C 2.182 176.827 174.600 0.076 0.000 1.032 328 S CA 1.970 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 1.827 116.428 114.554 0.078 0.000 2.720 329 T HA -0.038 4.314 4.350 0.003 0.000 0.268 329 T C 1.799 176.550 174.700 0.085 0.000 1.037 329 T CA 1.429 63.571 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 4.298 4.340 0.003 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 40.865 42.059 0.140 0.000 0.892 330 L HN 0.299 nan 8.230 nan 0.000 0.431 331 L N -1.487 119.808 121.223 0.120 0.000 1.989 331 L HA -0.184 4.158 4.340 0.003 0.000 0.211 331 L C 2.511 179.435 176.870 0.090 0.000 1.071 331 L CA 2.547 57.453 54.840 0.111 0.000 0.749 331 L CB -1.611 40.522 42.059 0.123 0.000 0.890 331 L HN 0.304 nan 8.230 nan 0.000 0.431 332 L N 0.149 121.417 121.223 0.074 0.000 2.027 332 L HA -0.134 4.208 4.340 0.003 0.000 0.206 332 L C 3.346 180.250 176.870 0.056 0.000 1.074 332 L CA 1.407 56.284 54.840 0.061 0.000 0.745 332 L CB -0.917 41.169 42.059 0.045 0.000 0.898 332 L HN 0.611 nan 8.230 nan 0.000 0.433 333 S N 0.523 116.254 115.700 0.051 0.000 2.419 333 S HA -0.102 4.369 4.470 0.003 0.000 0.233 333 S C 2.077 176.698 174.600 0.035 0.000 1.016 333 S CA 1.454 59.678 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 0.691 109.519 108.800 0.045 0.000 2.422 334 G HA2 0.017 3.979 3.960 0.003 0.000 0.218 334 G HA3 0.017 3.979 3.960 0.003 0.000 0.218 334 G C 1.543 176.471 174.900 0.046 0.000 1.140 334 G CA 1.132 46.257 45.100 0.041 0.000 0.775 334 G HN 0.452 nan 8.290 nan 0.000 0.545 335 I N 1.001 121.606 120.570 0.058 0.000 2.202 335 I HA 0.056 4.228 4.170 0.003 0.000 0.242 335 I C 3.285 179.429 176.117 0.045 0.000 1.091 335 I CA 2.315 63.652 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 -2.222 112.356 114.554 0.040 0.000 2.990 336 T HA -0.064 4.288 4.350 0.003 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 -0.828 68.062 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 0.185 4.656 4.470 0.003 0.000 0.240 337 S C 1.519 176.119 174.600 0.001 0.000 1.014 337 S CA 1.429 59.634 58.200 0.008 0.000 0.980 337 S CB -0.986 62.218 63.200 0.006 0.000 0.775 337 S HN 1.612 nan 8.310 nan 0.000 0.499 338 A N 1.509 124.332 122.820 0.005 0.000 2.511 338 A HA -0.204 4.118 4.320 0.003 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 -2.169 16.832 19.000 0.002 0.000 1.072 338 A HN 0.624 nan 8.150 nan 0.000 0.413 339 D N 0.351 120.731 120.400 -0.034 0.000 2.472 339 D HA 0.124 4.766 4.640 0.003 0.000 0.248 339 D C -0.249 176.012 176.300 -0.065 0.000 1.174 339 D CA -0.861 53.101 54.000 -0.064 0.000 0.883 339 D CB 0.787 41.523 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 1.073 64.151 63.100 -0.037 0.000 0.887 340 P CB 0.141 31.823 31.700 -0.031 0.000 0.792 341 E N -0.460 119.675 120.200 -0.109 0.000 2.219 341 E HA -0.145 4.207 4.350 0.003 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 -1.087 28.299 29.700 -0.523 0.000 0.741 341 E HN 0.371 nan 8.360 nan 0.000 0.477 342 L N -0.296 120.868 121.223 -0.099 0.000 2.202 342 L HA 0.014 4.356 4.340 0.003 0.000 0.205 342 L C 2.575 179.496 176.870 0.086 0.000 1.083 342 L CA 0.779 55.637 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 -0.074 115.656 115.700 0.051 0.000 2.383 343 S HA -0.166 4.305 4.470 0.003 0.000 0.229 343 S C 2.091 176.748 174.600 0.094 0.000 1.030 343 S CA 1.492 59.730 58.200 0.063 0.000 1.002 343 S CB -0.181 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 4.162 4.170 0.003 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 0.106 0.000 1.353 344 I CB -1.505 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 0.761 122.091 121.223 0.179 0.000 1.978 345 L HA -0.197 4.145 4.340 0.003 0.000 0.218 345 L C 2.559 179.485 176.870 0.094 0.000 1.075 345 L CA 2.118 57.055 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 -0.650 119.337 119.914 0.123 0.000 2.252 346 V HA -0.402 3.720 4.120 0.003 0.000 0.249 346 V C 2.536 178.672 176.094 0.071 0.000 1.056 346 V CA 2.301 64.655 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 0.506 119.592 119.070 0.027 0.000 2.387 347 H HA -0.154 4.404 4.556 0.004 0.000 0.299 347 H C 2.256 177.574 175.328 -0.017 0.000 1.090 347 H CA 2.644 58.701 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 0.387 120.908 120.500 0.034 0.000 2.092 348 R HA 0.016 4.358 4.340 0.003 0.000 0.231 348 R C 2.720 178.902 176.300 -0.195 0.000 1.119 348 R CA 1.718 57.785 56.100 -0.056 0.000 0.970 348 R CB -1.820 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 -0.267 120.180 120.570 -0.204 0.000 2.315 349 I HA -0.005 4.167 4.170 0.003 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 3.858 4.120 0.003 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 -0.732 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 4.135 4.340 0.003 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 0.784 120.937 120.200 -0.078 0.000 2.051 352 E HA -0.035 4.317 4.350 0.003 0.000 0.192 352 E C 2.168 178.729 176.600 -0.065 0.000 0.991 352 E CA 1.584 58.006 56.400 0.037 0.000 0.799 352 E CB -0.349 29.334 29.700 -0.027 0.000 0.748 352 E HN 0.642 nan 8.360 nan 0.000 0.449 353 I N 0.709 121.144 120.570 -0.225 0.000 2.315 353 I HA -0.238 3.934 4.170 0.003 0.000 0.248 353 I C 2.927 178.969 176.117 -0.125 0.000 1.117 353 I CA 0.825 61.916 61.300 -0.348 0.000 1.404 353 I CB -0.620 36.903 38.000 -0.795 0.000 1.071 353 I HN 0.061 nan 8.210 nan 0.000 0.419 354 L N -0.102 121.127 121.223 0.009 0.000 2.017 354 L HA -0.234 4.108 4.340 0.003 0.000 0.208 354 L C 2.736 179.655 176.870 0.081 0.000 1.073 354 L CA 2.137 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 -1.045 118.005 119.070 -0.033 0.000 2.319 355 H HA -0.219 4.339 4.556 0.003 0.000 0.299 355 H C 2.663 178.022 175.328 0.051 0.000 1.092 355 H CA 2.041 58.033 56.048 -0.094 0.000 1.302 355 H CB -0.597 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 -0.152 0.000 2.385 356 C HA -0.193 4.269 4.460 0.003 0.000 0.275 356 C C 2.879 177.859 174.990 -0.018 0.000 1.207 356 C CA 2.065 60.770 59.018 -0.522 0.000 1.760 356 C CB -1.124 25.977 27.740 -1.064 0.000 2.051 356 C HN 0.611 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 4.193 4.350 0.003 0.000 0.267 357 T C 1.507 176.330 174.700 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 0.613 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 4.669 4.640 0.003 0.000 0.213 358 D C 0.805 177.360 176.300 0.426 0.000 0.985 358 D CA 0.127 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 1.138 121.838 120.400 0.501 0.000 2.578 359 K HA -0.070 4.252 4.320 0.003 0.000 0.279 359 K C -2.230 174.342 176.600 -0.046 0.000 0.983 359 K CA -0.799 55.635 56.287 0.246 0.000 1.078 359 K CB 0.494 33.168 32.500 0.289 0.000 0.852 359 K HN -0.018 nan 8.250 nan 0.000 0.490 360 P HA 0.013 nan 4.420 nan 0.000 0.273 360 P C -0.482 176.762 177.300 -0.092 0.000 1.258 360 P CA 0.216 63.190 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 -0.664 108.102 108.800 -0.056 0.000 2.825 361 G HA2 -0.165 3.797 3.960 0.003 0.000 0.684 361 G HA3 -0.165 3.797 3.960 0.003 0.000 0.684 361 G C -0.507 174.407 174.900 0.024 0.000 1.528 361 G CA -0.940 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 1.997 122.576 120.570 0.015 0.000 2.754 362 I HA 0.053 4.225 4.170 0.003 0.000 0.285 362 I C 1.870 178.005 176.117 0.031 0.000 1.166 362 I CA 0.053 61.394 61.300 0.068 0.000 1.417 362 I CB 0.133 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 8.736 128.967 120.300 -0.116 0.000 2.069 363 Y HA -0.197 4.355 4.550 0.003 0.000 0.278 363 Y C -0.855 174.914 175.900 -0.218 0.000 1.175 363 Y CA 1.931 59.801 58.100 -0.384 0.000 1.134 363 Y CB -1.795 35.841 38.460 -1.373 0.000 0.965 363 Y HN 0.462 nan 8.280 nan 0.000 0.498 364 P HA -0.158 nan 4.420 nan 0.000 0.217 364 P C 1.551 178.667 177.300 -0.306 0.000 1.150 364 P CA 2.242 65.046 63.100 -0.495 0.000 0.832 364 P CB 0.092 31.721 31.700 -0.120 0.000 0.787 365 V N -1.590 118.208 119.914 -0.193 0.000 2.806 365 V HA 0.026 4.148 4.120 0.003 0.000 0.239 365 V C 2.651 178.674 176.094 -0.119 0.000 1.113 365 V CA 1.899 64.117 62.300 -0.136 0.000 1.137 365 V CB -1.229 30.537 31.823 -0.095 0.000 0.865 365 V HN 0.016 nan 8.190 nan 0.000 0.482 366 E N -0.007 120.131 120.200 -0.104 0.000 2.140 366 E HA 0.022 4.374 4.350 0.003 0.000 0.191 366 E C 0.766 177.318 176.600 -0.081 0.000 0.973 366 E CA 0.800 57.149 56.400 -0.085 0.000 0.829 366 E CB 0.134 29.791 29.700 -0.072 0.000 0.781 366 E HN 0.554 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 4.532 4.350 0.003 0.000 0.270 367 E C -0.427 176.149 176.600 -0.039 0.000 0.911 367 E CA -0.002 56.379 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 0.730 116.389 115.700 -0.068 0.000 2.727 368 S HA -0.048 4.424 4.470 0.003 0.000 0.226 368 S C 0.923 175.582 174.600 0.099 0.000 0.963 368 S CA 0.163 58.309 58.200 -0.090 0.000 0.950 368 S CB -0.460 62.670 63.200 -0.117 0.000 0.779 368 S HN 0.545 nan 8.310 nan 0.000 0.532 369 C N 0.336 119.732 119.300 0.161 0.000 2.791 369 C HA 0.481 4.943 4.460 0.003 0.000 0.270 369 C C 3.051 178.165 174.990 0.206 0.000 1.257 369 C CA 0.019 59.163 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 0.741 nan 8.230 nan 0.000 0.603 370 S N 2.116 117.976 115.700 0.266 0.000 2.370 370 S HA -0.192 4.280 4.470 0.003 0.000 0.226 370 S C 1.902 176.635 174.600 0.221 0.000 1.033 370 S CA 2.551 60.916 58.200 0.274 0.000 1.011 370 S CB -0.755 62.671 63.200 0.377 0.000 0.852 370 S HN 0.560 nan 8.310 nan 0.000 0.457 371 T N 1.255 115.918 114.554 0.181 0.000 2.746 371 T HA -0.098 4.254 4.350 0.003 0.000 0.267 371 T C 1.945 176.700 174.700 0.092 0.000 1.039 371 T CA 1.708 63.865 62.100 0.096 0.000 1.142 371 T CB -0.294 68.624 68.868 0.085 0.000 0.866 371 T HN 0.444 nan 8.240 nan 0.000 0.444 372 M N 1.475 121.137 119.600 0.102 0.000 2.088 372 M HA -0.140 4.342 4.480 0.003 0.000 0.256 372 M C 2.448 178.793 176.300 0.076 0.000 1.071 372 M CA 1.973 57.318 55.300 0.075 0.000 1.097 372 M CB -0.655 31.991 32.600 0.077 0.000 1.315 372 M HN 0.296 nan 8.290 nan 0.000 0.406 373 A N -0.689 122.183 122.820 0.086 0.000 1.930 373 A HA -0.105 4.217 4.320 0.003 0.000 0.217 373 A C 2.106 179.831 177.584 0.234 0.000 1.175 373 A CA 1.507 53.611 52.037 0.112 0.000 0.627 373 A CB -1.027 18.080 19.000 0.178 0.000 0.815 373 A HN 0.555 nan 8.150 nan 0.000 0.443 374 L N -0.943 120.412 121.223 0.220 0.000 2.093 374 L HA -0.139 4.203 4.340 0.003 0.000 0.208 374 L C 3.066 180.020 176.870 0.140 0.000 1.085 374 L CA 0.867 55.834 54.840 0.211 0.000 0.755 374 L CB -0.641 41.451 42.059 0.055 0.000 0.904 374 L HN 0.427 nan 8.230 nan 0.000 0.435 375 A N 0.384 123.256 122.820 0.087 0.000 1.877 375 A HA -0.278 4.044 4.320 0.003 0.000 0.216 375 A C 2.186 179.827 177.584 0.095 0.000 1.186 375 A CA 1.680 53.753 52.037 0.060 0.000 0.620 375 A CB -0.839 18.188 19.000 0.046 0.000 0.822 375 A HN 0.402 nan 8.150 nan 0.000 0.443 376 F N -0.647 119.250 119.950 -0.089 0.000 2.069 376 F HA -0.201 4.327 4.527 0.003 0.000 0.298 376 F C 2.019 177.673 175.800 -0.242 0.000 1.113 376 F CA 1.815 59.676 58.000 -0.231 0.000 1.214 376 F CB -0.700 38.031 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 4.415 4.660 0.002 0.000 0.304 377 W C 2.518 178.879 176.519 -0.263 0.000 1.212 377 W CA 1.583 58.750 57.345 -0.297 0.000 1.264 377 W CB -1.243 28.182 29.460 -0.058 0.000 1.142 377 W HN 0.250 nan 8.180 nan 0.000 0.512 378 Y N 1.968 122.237 120.300 -0.053 0.000 2.069 378 Y HA -0.458 4.095 4.550 0.004 0.000 0.278 378 Y C 2.593 178.423 175.900 -0.117 0.000 1.175 378 Y CA 2.739 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 0.111 nan 8.280 nan 0.000 0.498 379 M N -0.749 118.672 119.600 -0.299 0.000 2.080 379 M HA -0.159 4.323 4.480 0.003 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 31.616 32.600 -0.209 0.000 1.342 379 M HN 0.333 nan 8.290 nan 0.000 0.405 380 L N 0.443 121.367 121.223 -0.499 0.000 2.027 380 L HA -0.113 4.229 4.340 0.003 0.000 0.206 380 L C 2.482 179.163 176.870 -0.315 0.000 1.074 380 L CA 1.944 56.547 54.840 -0.396 0.000 0.745 380 L CB -0.876 40.887 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 4.117 4.340 0.003 0.000 0.204 381 Q C 1.964 177.621 176.000 -0.571 0.000 0.982 381 Q CA 2.023 57.571 55.803 -0.426 0.000 0.850 381 Q CB -0.469 28.167 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 4.470 4.640 0.003 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 40.551 40.800 -0.404 0.000 0.951 382 D HN 0.311 nan 8.370 nan 0.000 0.500 383 E N 0.080 120.139 120.200 -0.235 0.000 2.152 383 E HA -0.061 4.291 4.350 0.003 0.000 0.192 383 E C 2.225 178.768 176.600 -0.095 0.000 0.983 383 E CA 0.437 56.753 56.400 -0.140 0.000 0.818 383 E CB 0.412 30.029 29.700 -0.139 0.000 0.758 383 E HN 0.183 nan 8.360 nan 0.000 0.467 384 V N 0.278 120.097 119.914 -0.157 0.000 2.788 384 V HA -0.107 4.015 4.120 0.003 0.000 0.251 384 V C 1.639 177.760 176.094 0.045 0.000 1.068 384 V CA 1.078 63.332 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 -0.142 119.737 119.950 -0.120 0.000 2.615 385 F HA 0.296 4.825 4.527 0.003 0.000 0.297 385 F C 1.347 177.074 175.800 -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 39.013 39.000 -0.214 0.000 1.103 385 F HN 0.209 nan 8.300 nan 0.000 0.569 395 K N -0.656 119.810 120.400 0.109 0.000 2.314 395 K HA 0.376 4.698 4.320 0.003 0.000 0.198 395 K C 2.564 179.230 176.600 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 0.132 0.000 2.403 396 C HA -0.082 4.380 4.460 0.003 0.000 0.279 396 C C 2.466 177.582 174.990 0.211 0.000 1.269 396 C CA 1.503 60.602 59.018 0.136 0.000 1.774 396 C CB -1.219 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 1.726 123.059 121.300 0.054 0.000 2.354 397 W HA -0.073 4.588 4.660 0.003 0.000 0.315 397 W C 2.298 178.853 176.519 0.061 0.000 1.206 397 W CA 1.940 59.337 57.345 0.086 0.000 1.290 397 W CB -0.833 28.724 29.460 0.161 0.000 1.152 397 W HN 0.545 nan 8.180 nan 0.000 0.489 398 E N -1.426 118.762 120.200 -0.019 0.000 2.150 398 E HA -0.248 4.104 4.350 0.003 0.000 0.193 398 E C 2.454 179.026 176.600 -0.045 0.000 0.985 398 E CA 1.821 58.103 56.400 -0.196 0.000 0.814 398 E CB -0.842 28.739 29.700 -0.198 0.000 0.752 398 E HN 0.484 nan 8.360 nan 0.000 0.466 399 Y N 0.692 121.012 120.300 0.034 0.000 2.439 399 Y HA 0.011 4.563 4.550 0.003 0.000 0.292 399 Y C 1.999 177.951 175.900 0.086 0.000 1.130 399 Y CA 0.964 59.098 58.100 0.056 0.000 1.254 399 Y CB -0.532 37.970 38.460 0.072 0.000 1.000 399 Y HN 0.001 nan 8.280 nan 0.000 0.554 400 I N -0.795 119.844 120.570 0.114 0.000 3.030 400 I HA -0.172 4.000 4.170 0.003 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 1.283 121.732 120.400 0.081 0.000 2.015 401 K HA -0.213 4.109 4.320 0.003 0.000 0.216 401 K C -0.440 176.170 176.600 0.016 0.000 1.052 401 K CA 1.963 58.273 56.287 0.039 0.000 0.937 401 K CB -1.511 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 -0.038 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 -0.336 4.005 4.340 0.003 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 -2.036 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 4.274 4.550 0.003 0.000 0.280 404 Y C 2.678 178.486 175.900 -0.152 0.000 1.178 404 Y CA 2.496 60.476 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 -0.763 122.020 122.820 -0.062 0.000 1.845 405 A HA -0.167 4.155 4.320 0.003 0.000 0.215 405 A C 2.025 179.592 177.584 -0.029 0.000 1.195 405 A CA 2.205 54.224 52.037 -0.030 0.000 0.616 405 A CB -1.484 17.516 19.000 -0.001 0.000 0.832 405 A HN 0.900 nan 8.150 nan 0.000 0.443 406 H N -0.131 118.876 119.070 -0.106 0.000 2.319 406 H HA -0.150 4.408 4.556 0.004 0.000 0.297 406 H C 2.254 177.494 175.328 -0.145 0.000 1.097 406 H CA 3.112 59.101 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 4.107 4.340 0.003 0.000 0.213 407 L C 2.960 179.612 176.870 -0.363 0.000 1.072 407 L CA 3.708 58.235 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 3.944 4.350 0.003 0.000 0.267 408 T C 2.081 176.783 174.700 0.003 0.000 1.044 408 T CA 2.161 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 2.097 409 R HA 0.007 4.349 4.340 0.003 0.000 0.236 409 R C 2.726 178.991 176.300 -0.058 0.000 1.135 409 R CA 2.022 58.105 56.100 -0.029 0.000 0.934 409 R CB -0.814 29.449 30.300 -0.062 0.000 0.846 409 R HN 0.478 nan 8.270 nan 0.000 0.431 410 I N 1.269 121.723 120.570 -0.193 0.000 2.145 410 I HA -0.361 3.811 4.170 0.003 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 0.192 121.317 121.223 -0.164 0.000 1.971 411 L HA -0.245 4.097 4.340 0.003 0.000 0.215 411 L C 2.703 179.547 176.870 -0.043 0.000 1.072 411 L CA 1.566 56.248 54.840 -0.263 0.000 0.758 411 L CB -1.043 40.548 42.059 -0.780 0.000 0.889 411 L HN 0.139 nan 8.230 nan 0.000 0.433 412 V N -0.222 119.797 119.914 0.174 0.000 2.380 412 V HA -0.314 3.808 4.120 0.003 0.000 0.251 412 V C 2.606 178.834 176.094 0.223 0.000 1.063 412 V CA 1.861 64.378 62.300 0.362 0.000 1.055 412 V CB -0.931 31.100 31.823 0.348 0.000 0.657 412 V HN 0.440 nan 8.190 nan 0.000 0.455 413 R N 0.300 120.886 120.500 0.143 0.000 2.091 413 R HA -0.122 4.220 4.340 0.003 0.000 0.238 413 R C 2.244 178.643 176.300 0.166 0.000 1.136 413 R CA 1.162 57.340 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 0.116 120.620 120.400 0.173 0.000 2.365 414 K HA 0.112 4.434 4.320 0.003 0.000 0.197 414 K C 1.664 178.458 176.600 0.323 0.000 1.042 414 K CA 0.509 56.956 56.287 0.268 0.000 0.987 414 K CB 0.331 33.001 32.500 0.283 0.000 0.779 414 K HN -0.011 nan 8.250 nan 0.000 0.484 415 S N 1.420 117.263 115.700 0.238 0.000 2.603 415 S HA -0.010 4.462 4.470 0.003 0.000 0.229 415 S C 0.248 175.030 174.600 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 0.284 nan 8.310 nan 0.000 0.536 416 E N 2.479 122.860 120.200 0.302 0.000 2.180 416 E HA 0.331 4.683 4.350 0.003 0.000 0.283 416 E C 0.518 177.263 176.600 0.241 0.000 1.061 416 E CA -0.251 56.298 56.400 0.249 0.000 0.861 416 E CB 0.332 30.140 29.700 0.180 0.000 1.056 416 E HN 0.450 nan 8.360 nan 0.000 0.407 417 Q N 4.492 124.408 119.800 0.193 0.000 2.474 417 Q HA 0.116 4.458 4.340 0.003 0.000 0.256 417 Q C -2.161 173.810 176.000 -0.050 0.000 1.048 417 Q CA -1.158 54.634 55.803 -0.018 0.000 0.922 417 Q CB -1.052 27.720 28.738 0.057 0.000 1.288 417 Q HN 0.337 nan 8.270 nan 0.000 0.484 418 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 -0.358 31.232 31.700 -0.183 0.000 0.828 419 D N 1.925 122.391 120.400 0.111 0.000 2.455 419 D HA 0.272 4.914 4.640 0.003 0.000 0.241 419 D C 1.457 177.919 176.300 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 -0.104 120.432 120.200 0.561 0.000 2.515 420 E HA 0.162 4.514 4.350 0.003 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 4.214 4.320 0.003 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 -1.140 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 0.459 116.179 115.700 0.034 0.000 2.515 422 S HA 0.035 4.507 4.470 0.003 0.000 0.231 422 S C 1.092 175.702 174.600 0.016 0.000 0.987 422 S CA 0.640 58.846 58.200 0.011 0.000 0.936 422 S CB -0.499 62.698 63.200 -0.005 0.000 0.766 422 S HN 1.250 nan 8.310 nan 0.000 0.528 423 L N 0.733 121.982 121.223 0.044 0.000 3.833 423 L HA -0.248 4.094 4.340 0.003 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 -0.434 122.382 122.820 -0.006 0.000 2.203 424 A HA 0.046 4.368 4.320 0.003 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 -1.982 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 -1.267 119.119 120.400 -0.023 0.000 2.505 425 K HA 0.378 4.700 4.320 0.003 0.000 0.192 425 K C 0.869 177.454 176.600 -0.026 0.000 1.025 425 K CA 1.479 57.753 56.287 -0.021 0.000 1.086 425 K CB -0.786 31.703 32.500 -0.019 0.000 0.840 425 K HN 2.126 nan 8.250 nan 0.000 0.514 426 W N -0.635 120.646 121.300 -0.032 0.000 2.141 426 W HA 0.697 5.359 4.660 0.003 0.000 0.354 426 W C 0.692 177.197 176.519 -0.023 0.000 1.297 426 W CA -0.757 56.567 57.345 -0.034 0.000 1.380 426 W CB -0.216 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 0.141 115.830 115.700 -0.017 0.000 2.617 427 S HA 0.417 4.889 4.470 0.003 0.000 0.283 427 S C 1.462 176.064 174.600 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 64.376 63.200 -0.007 0.000 1.014 427 S HN 1.727 nan 8.310 nan 0.000 0.522 428 S N 1.290 116.995 115.700 0.009 0.000 2.407 428 S HA -0.202 4.270 4.470 0.003 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 4.464 4.640 0.003 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 1.442 121.863 120.400 0.036 0.000 2.106 430 D HA -0.119 4.523 4.640 0.003 0.000 0.191 430 D C 2.712 179.084 176.300 0.119 0.000 0.997 430 D CA 2.322 56.350 54.000 0.046 0.000 0.834 430 D CB -0.859 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 0.050 121.326 121.223 0.087 0.000 2.046 431 L HA 0.011 4.352 4.340 0.003 0.000 0.208 431 L C 3.411 180.393 176.870 0.187 0.000 1.077 431 L CA 2.001 56.915 54.840 0.123 0.000 0.747 431 L CB -1.029 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 0.144 120.422 120.200 0.131 0.000 2.051 432 E HA -0.296 4.056 4.350 0.003 0.000 0.192 432 E C 2.259 178.954 176.600 0.157 0.000 0.991 432 E CA 1.878 58.352 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 -0.195 119.211 119.300 0.175 0.000 2.425 433 C HA 0.267 4.729 4.460 0.003 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 2.252 122.328 119.950 0.210 0.000 2.134 434 F HA -0.035 4.493 4.527 0.002 0.000 0.299 434 F C 2.788 178.723 175.800 0.224 0.000 1.097 434 F CA 2.911 61.075 58.000 0.274 0.000 1.264 434 F CB -0.457 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 0.137 120.756 120.500 0.199 0.000 2.083 435 R HA -0.215 4.127 4.340 0.003 0.000 0.237 435 R C 2.359 178.649 176.300 -0.017 0.000 1.137 435 R CA 2.094 58.231 56.100 0.062 0.000 0.951 435 R CB -2.397 27.976 30.300 0.121 0.000 0.851 435 R HN 0.762 nan 8.270 nan 0.000 0.434 436 C N -0.636 118.689 119.300 0.040 0.000 2.432 436 C HA 0.004 4.466 4.460 0.003 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 26.662 27.740 0.058 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 4.309 4.550 0.003 0.000 0.275 437 Y C 2.964 178.625 175.900 -0.399 0.000 1.171 437 Y CA 3.905 61.738 58.100 -0.444 0.000 1.123 437 Y CB -0.902 37.214 38.460 -0.574 0.000 0.963 437 Y HN 0.465 nan 8.280 nan 0.000 0.493 438 R N 0.056 120.191 120.500 -0.609 0.000 2.133 438 R HA -0.235 4.107 4.340 0.003 0.000 0.247 438 R C 2.256 178.452 176.300 -0.173 0.000 1.151 438 R CA 3.041 58.826 56.100 -0.524 0.000 0.971 438 R CB -2.151 27.840 30.300 -0.516 0.000 0.866 438 R HN 0.728 nan 8.270 nan 0.000 0.447 439 Q N 1.416 121.144 119.800 -0.121 0.000 2.061 439 Q HA -0.208 4.134 4.340 0.003 0.000 0.204 439 Q C 2.069 178.009 176.000 -0.101 0.000 0.984 439 Q CA 1.844 57.621 55.803 -0.043 0.000 0.846 439 Q CB -0.584 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 -0.162 120.124 120.400 -0.190 0.000 2.178 440 D HA -0.038 4.604 4.640 0.003 0.000 0.202 440 D C 1.837 177.983 176.300 -0.257 0.000 0.974 440 D CA 1.042 54.916 54.000 -0.209 0.000 0.841 440 D CB -0.037 40.629 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 3.987 4.170 0.003 0.000 0.255 441 I C 1.846 177.819 176.117 -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 0.186 115.889 115.700 0.007 0.000 2.446 442 S HA -0.096 4.376 4.470 0.003 0.000 0.225 442 S C 1.317 176.015 174.600 0.163 0.000 1.016 442 S CA 0.741 59.076 58.200 0.225 0.000 0.943 442 S CB -0.118 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 1.522 121.950 120.400 0.046 0.000 2.103 443 D HA -0.037 4.605 4.640 0.003 0.000 0.199 443 D C 2.047 178.410 176.300 0.105 0.000 0.978 443 D CA 1.260 55.300 54.000 0.067 0.000 0.829 443 D CB -0.683 40.097 40.800 -0.035 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 4.177 4.350 0.003 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 -0.681 68.099 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 4.265 4.527 0.003 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 -0.574 119.245 119.600 0.365 0.000 2.308 446 M HA -0.346 4.136 4.480 0.003 0.000 0.257 446 M C 2.115 178.639 176.300 0.373 0.000 1.070 446 M CA 2.033 57.531 55.300 0.331 0.000 1.080 446 M CB -1.727 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 0.606 121.030 120.300 0.206 0.000 2.062 447 Y HA -0.329 4.223 4.550 0.004 0.000 0.276 447 Y C 3.082 179.099 175.900 0.195 0.000 1.189 447 Y CA 2.217 60.440 58.100 0.205 0.000 1.130 447 Y CB -1.413 37.152 38.460 0.175 0.000 0.959 447 Y HN 0.656 nan 8.280 nan 0.000 0.499 448 C N -1.507 117.966 119.300 0.288 0.000 2.419 448 C HA -0.193 4.268 4.460 0.003 0.000 0.283 448 C C 2.486 177.563 174.990 0.146 0.000 1.373 448 C CA 0.326 59.446 59.018 0.171 0.000 1.781 448 C CB -2.193 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 4.432 4.550 0.003 0.000 0.290 449 Y C 2.247 178.091 175.900 -0.093 0.000 1.145 449 Y CA 2.008 60.030 58.100 -0.130 0.000 1.203 449 Y CB -0.502 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 4.497 4.640 0.003 0.000 0.208 450 D C 2.058 178.400 176.300 0.069 0.000 0.971 450 D CA 0.970 55.033 54.000 0.106 0.000 0.867 450 D CB 0.074 40.952 40.800 0.129 0.000 0.929 450 D HN 0.355 nan 8.370 nan 0.000 0.492 451 V N 0.230 120.297 119.914 0.254 0.000 2.346 451 V HA 0.011 4.133 4.120 0.003 0.000 0.244 451 V C 1.238 177.549 176.094 0.360 0.000 1.037 451 V CA 1.627 64.207 62.300 0.467 0.000 1.029 451 V CB -0.151 31.933 31.823 0.435 0.000 0.663 451 V HN 0.327 nan 8.190 nan 0.000 0.454 452 L N 1.535 122.779 121.223 0.035 0.000 2.401 452 L HA 0.519 4.861 4.340 0.003 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 0.294 42.308 42.059 -0.074 0.000 1.219 452 L HN 0.361 nan 8.230 nan 0.000 0.441 453 N N 0.076 118.488 118.700 -0.480 0.000 2.192 453 N HA -0.194 4.548 4.740 0.003 0.000 0.188 453 N C 0.778 175.913 175.510 -0.623 0.000 1.013 453 N CA 2.581 55.127 53.050 -0.841 0.000 0.863 453 N CB 0.119 38.463 38.487 -0.240 0.000 0.990 453 N HN 0.819 nan 8.380 nan 0.000 0.430 454 D N -1.502 118.722 120.400 -0.292 0.000 2.531 454 D HA 0.092 4.733 4.640 0.003 0.000 0.263 454 D C 2.274 178.492 176.300 -0.137 0.000 1.057 454 D CA 0.482 54.397 54.000 -0.141 0.000 0.909 454 D CB -1.232 39.538 40.800 -0.050 0.000 1.236 454 D HN 0.360 nan 8.370 nan 0.000 0.494 455 Y N 0.798 121.017 120.300 -0.136 0.000 2.132 455 Y HA -0.105 4.447 4.550 0.003 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 -0.948 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 -0.199 120.279 120.570 -0.152 0.000 2.208 456 I HA -0.312 3.860 4.170 0.003 0.000 0.245 456 I C 2.587 178.604 176.117 -0.166 0.000 1.097 456 I CA 1.591 62.812 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 0.530 121.653 121.223 -0.167 0.000 2.187 457 L HA -0.281 4.061 4.340 0.003 0.000 0.213 457 L C 2.685 179.482 176.870 -0.121 0.000 1.100 457 L CA 1.567 56.293 54.840 -0.190 0.000 0.765 457 L CB -0.484 41.529 42.059 -0.077 0.000 0.904 457 L HN 0.279 nan 8.230 nan 0.000 0.437 458 E N 0.465 120.623 120.200 -0.071 0.000 2.016 458 E HA -0.185 4.167 4.350 0.003 0.000 0.190 458 E C 2.011 178.600 176.600 -0.019 0.000 0.985 458 E CA 1.206 57.592 56.400 -0.024 0.000 0.802 458 E CB -0.305 29.382 29.700 -0.021 0.000 0.762 458 E HN 0.529 nan 8.360 nan 0.000 0.448 459 I N 0.762 121.308 120.570 -0.039 0.000 2.118 459 I HA -0.304 3.868 4.170 0.003 0.000 0.241 459 I C 2.738 178.846 176.117 -0.016 0.000 1.070 459 I CA 1.710 62.999 61.300 -0.019 0.000 1.327 459 I CB -0.418 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 0.352 121.510 121.223 -0.109 0.000 2.043 460 L HA -0.283 4.059 4.340 0.003 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 4.130 4.320 0.003 0.000 0.216 461 A C 2.609 180.279 177.584 0.144 0.000 1.190 461 A CA 1.925 54.124 52.037 0.271 0.000 0.617 461 A CB -0.864 18.248 19.000 0.186 0.000 0.827 461 A HN 0.403 nan 8.150 nan 0.000 0.443 462 A N -0.451 122.420 122.820 0.086 0.000 1.903 462 A HA -0.257 4.065 4.320 0.003 0.000 0.219 462 A C 2.267 179.890 177.584 0.065 0.000 1.191 462 A CA 2.226 54.299 52.037 0.059 0.000 0.638 462 A CB -0.660 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 -1.564 118.085 119.600 0.082 0.000 2.460 463 M HA -0.042 4.440 4.480 0.003 0.000 0.263 463 M C 1.991 178.348 176.300 0.095 0.000 1.071 463 M CA 0.829 56.181 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 0.300 121.596 121.223 0.121 0.000 2.162 464 L HA -0.045 4.297 4.340 0.003 0.000 0.205 464 L C 1.713 178.603 176.870 0.033 0.000 1.086 464 L CA 1.741 56.631 54.840 0.083 0.000 0.778 464 L CB -0.483 41.619 42.059 0.072 0.000 0.928 464 L HN 0.122 nan 8.230 nan 0.000 0.446 465 D N -0.072 120.350 120.400 0.036 0.000 2.097 465 D HA -0.208 4.434 4.640 0.003 0.000 0.195 465 D C 1.962 178.266 176.300 0.006 0.000 0.989 465 D CA 1.474 55.482 54.000 0.014 0.000 0.827 465 D CB 0.068 40.879 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 4.222 4.350 0.003 0.000 0.192 466 E C 2.141 178.734 176.600 -0.012 0.000 0.991 466 E CA 0.913 57.312 56.400 -0.000 0.000 0.799 466 E CB -0.096 29.608 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 4.108 4.320 0.003 0.000 0.221 467 A C 2.085 179.665 177.584 -0.006 0.000 1.165 467 A CA 1.207 53.246 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 -0.671 119.892 120.570 -0.011 0.000 2.193 468 I HA -0.177 3.995 4.170 0.003 0.000 0.240 468 I C 2.745 178.847 176.117 -0.024 0.000 1.084 468 I CA 1.036 62.324 61.300 -0.019 0.000 1.365 468 I CB -0.396 37.591 38.000 -0.022 0.000 1.064 468 I HN 0.296 nan 8.210 nan 0.000 0.410 469 A N 0.533 123.335 122.820 -0.029 0.000 2.248 469 A HA -0.112 4.210 4.320 0.003 0.000 0.210 469 A C 1.875 179.423 177.584 -0.060 0.000 1.174 469 A CA 1.720 53.731 52.037 -0.043 0.000 0.750 469 A CB -1.335 17.642 19.000 -0.038 0.000 0.780 469 A HN 0.549 nan 8.150 nan 0.000 0.478 470 D N -1.117 119.251 120.400 -0.052 0.000 2.197 470 D HA 0.271 4.912 4.640 0.003 0.000 0.212 470 D C 2.071 178.419 176.300 0.081 0.000 0.963 470 D CA 1.536 55.490 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 0.154 121.417 121.223 0.065 0.000 2.131 471 L HA 0.107 4.449 4.340 0.003 0.000 0.206 471 L C 2.615 179.502 176.870 0.029 0.000 1.087 471 L CA 2.323 57.213 54.840 0.084 0.000 0.767 471 L CB -1.627 40.462 42.059 0.050 0.000 0.917 471 L HN 0.568 nan 8.230 nan 0.000 0.441 472 Q N -0.490 119.302 119.800 -0.012 0.000 2.045 472 Q HA -0.335 4.007 4.340 0.003 0.000 0.206 472 Q C 2.518 178.472 176.000 -0.077 0.000 0.991 472 Q CA 2.821 58.600 55.803 -0.040 0.000 0.851 472 Q CB -0.099 28.611 28.738 -0.047 0.000 0.911 472 Q HN 0.745 nan 8.270 nan 0.000 0.418 473 R N -0.962 119.445 120.500 -0.155 0.000 2.093 473 R HA 0.031 4.373 4.340 0.003 0.000 0.224 473 R C 0.249 176.291 176.300 -0.430 0.000 1.101 473 R CA 0.951 56.843 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 -0.184 118.937 119.070 0.085 0.000 2.953 474 H HA 0.156 4.714 4.556 0.003 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 1.515 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 -0.084 nan 4.420 nan 0.000 0.236 475 P C 0.847 178.171 177.300 0.039 0.000 1.172 475 P CA 0.739 63.870 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 -0.079 0.000 3.129 476 T HA 0.005 4.357 4.350 0.003 0.000 0.251 476 T C 0.784 175.129 174.700 -0.591 0.000 1.117 476 T CA 0.303 62.270 62.100 -0.221 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 1.320 120.233 119.070 -0.263 0.000 2.970 477 H HA 0.080 4.638 4.556 0.003 0.000 0.226 477 H C 0.671 175.867 175.328 -0.220 0.000 1.909 477 H CA -0.681 55.167 56.048 -0.333 0.000 1.388 477 H CB -0.517 29.169 29.762 -0.126 0.000 1.773 477 H HN 0.678 nan 8.280 nan 0.000 0.559 478 W N 0.879 122.249 121.300 0.118 0.000 2.576 478 W HA 0.044 4.706 4.660 0.004 0.000 0.270 478 W C 1.403 177.981 176.519 0.099 0.000 1.255 478 W CA 0.160 57.556 57.345 0.084 0.000 1.314 478 W CB -0.702 28.790 29.460 0.053 0.000 1.101 478 W HN -0.021 nan 8.180 nan 0.000 0.595 479 T N 1.548 116.085 114.554 -0.027 0.000 2.720 479 T HA -0.218 4.134 4.350 0.003 0.000 0.268 479 T C 1.690 176.499 174.700 0.181 0.000 1.037 479 T CA 2.453 64.686 62.100 0.221 0.000 1.144 479 T CB -0.204 68.685 68.868 0.034 0.000 0.864 479 T HN 0.196 nan 8.240 nan 0.000 0.444 480 K N 0.330 120.787 120.400 0.095 0.000 2.217 480 K HA 0.083 4.405 4.320 0.003 0.000 0.202 480 K C 2.510 179.186 176.600 0.127 0.000 1.051 480 K CA 1.090 57.432 56.287 0.091 0.000 0.952 480 K CB -0.425 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 1.057 122.368 121.223 0.147 0.000 2.044 481 L HA -0.027 4.315 4.340 0.003 0.000 0.205 481 L C 2.299 179.281 176.870 0.188 0.000 1.075 481 L CA 2.102 57.028 54.840 0.143 0.000 0.747 481 L CB -1.163 40.978 42.059 0.138 0.000 0.903 481 L HN 0.200 nan 8.230 nan 0.000 0.435 482 E N 0.253 120.600 120.200 0.245 0.000 2.106 482 E HA -0.165 4.187 4.350 0.003 0.000 0.192 482 E C 2.315 179.085 176.600 0.284 0.000 0.984 482 E CA 1.417 57.973 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 1.359 124.342 122.820 0.271 0.000 1.873 483 A HA -0.174 4.148 4.320 0.003 0.000 0.215 483 A C 2.781 180.563 177.584 0.330 0.000 1.186 483 A CA 1.893 54.114 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 4.513 4.460 0.003 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 26.575 27.740 0.179 0.000 2.043 484 C HN 0.566 nan 8.230 nan 0.000 0.472 485 I N -0.892 119.802 120.570 0.206 0.000 2.151 485 I HA -0.248 3.924 4.170 0.003 0.000 0.243 485 I C 2.651 178.904 176.117 0.227 0.000 1.080 485 I CA 2.391 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 4.178 4.550 0.004 0.000 0.284 486 Y C 2.962 178.925 175.900 0.105 0.000 1.166 486 Y CA 1.929 60.119 58.100 0.151 0.000 1.163 486 Y CB -0.480 38.088 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 -0.238 4.234 4.470 0.003 0.000 0.229 487 S C 1.960 176.273 174.600 -0.478 0.000 1.030 487 S CA 1.535 59.517 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 1.847 121.652 119.950 -0.242 0.000 2.113 488 F HA 0.050 4.579 4.527 0.003 0.000 0.297 488 F C 2.886 178.675 175.800 -0.018 0.000 1.103 488 F CA 1.674 59.604 58.000 -0.117 0.000 1.248 488 F CB -0.747 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 0.234 120.138 119.800 0.173 0.000 2.181 489 Q HA -0.212 4.130 4.340 0.003 0.000 0.205 489 Q C 2.312 178.232 176.000 -0.133 0.000 0.980 489 Q CA 1.709 57.588 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 0.097 115.604 115.700 -0.322 0.000 2.419 490 S HA -0.065 4.407 4.470 0.003 0.000 0.233 490 S C 1.663 176.143 174.600 -0.201 0.000 1.016 490 S CA 1.503 59.515 58.200 -0.314 0.000 0.974 490 S CB -0.559 62.411 63.200 -0.382 0.000 0.786 490 S HN 0.420 nan 8.310 nan 0.000 0.492 491 V N -0.318 119.452 119.914 -0.241 0.000 3.271 491 V HA 0.766 4.888 4.120 0.003 0.000 0.327 491 V C 1.646 177.606 176.094 -0.224 0.000 1.389 491 V CA 0.712 62.893 62.300 -0.198 0.000 1.156 491 V CB -0.619 31.058 31.823 -0.244 0.000 1.103 491 V HN 0.492 nan 8.190 nan 0.000 0.453 492 A N -0.072 122.577 122.820 -0.285 0.000 2.276 492 A HA 0.467 4.789 4.320 0.003 0.000 0.212 492 A C 1.279 178.657 177.584 -0.344 0.000 1.230 492 A CA 1.082 52.801 52.037 -0.530 0.000 0.844 492 A CB -0.451 18.144 19.000 -0.674 0.000 0.860 492 A HN 1.131 nan 8.150 nan 0.000 0.486 493 E N 0.066 120.127 120.200 -0.232 0.000 2.651 493 E HA 0.385 4.737 4.350 0.003 0.000 0.213 493 E C -0.081 176.260 176.600 -0.432 0.000 1.028 493 E CA -0.501 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 0.506 120.357 119.800 0.085 0.000 2.181 502 Q HA 0.085 4.426 4.340 0.003 0.000 0.205 502 Q C 2.238 178.317 176.000 0.132 0.000 0.980 502 Q CA 1.909 57.781 55.803 0.114 0.000 0.862 502 Q CB -0.530 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 1.061 121.652 120.570 0.035 0.000 2.193 503 I HA -0.142 4.030 4.170 0.003 0.000 0.240 503 I C -0.413 175.477 176.117 -0.378 0.000 1.084 503 I CA 1.154 62.352 61.300 -0.169 0.000 1.365 503 I CB -1.571 36.150 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 1.545 64.557 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 -0.602 119.833 120.500 -0.109 0.000 2.113 505 R HA -0.180 4.162 4.340 0.003 0.000 0.244 505 R C 2.497 178.661 176.300 -0.227 0.000 1.142 505 R CA 1.487 57.518 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 0.763 121.749 121.223 -0.395 0.000 2.013 506 L HA -0.250 4.092 4.340 0.003 0.000 0.212 506 L C 2.184 178.811 176.870 -0.406 0.000 1.073 506 L CA 1.896 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 -0.687 118.705 119.600 -0.345 0.000 2.065 507 M HA -0.235 4.247 4.480 0.003 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 0.288 nan 8.290 nan 0.000 0.405 508 R N -0.303 120.144 120.500 -0.087 0.000 2.080 508 R HA -0.118 4.224 4.340 0.003 0.000 0.236 508 R C 2.230 178.498 176.300 -0.053 0.000 1.137 508 R CA 1.448 57.521 56.100 -0.045 0.000 0.943 508 R CB -0.972 29.308 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 3.852 4.120 0.003 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 -0.182 121.020 121.223 -0.035 0.000 2.046 510 L HA -0.169 4.173 4.340 0.003 0.000 0.208 510 L C 2.748 179.739 176.870 0.201 0.000 1.077 510 L CA 1.666 56.573 54.840 0.112 0.000 0.747 510 L CB -0.915 41.158 42.059 0.023 0.000 0.896 510 L HN 0.391 nan 8.230 nan 0.000 0.432 511 A N 0.330 123.199 122.820 0.082 0.000 1.873 511 A HA -0.208 4.114 4.320 0.003 0.000 0.215 511 A C 2.447 180.071 177.584 0.067 0.000 1.186 511 A CA 1.977 54.066 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 4.447 4.350 0.003 0.000 0.194 512 E C 1.402 177.964 176.600 -0.064 0.000 0.997 512 E CA 1.368 57.757 56.400 -0.018 0.000 0.801 512 E CB -1.838 27.843 29.700 -0.032 0.000 0.746 512 E HN 1.518 nan 8.360 nan 0.000 0.450 513 I N 2.430 122.919 120.570 -0.135 0.000 2.872 513 I HA 0.260 4.432 4.170 0.003 0.000 0.287 513 I C -1.671 174.194 176.117 -0.420 0.000 1.197 513 I CA -0.892 60.193 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 -0.252 31.414 31.700 -0.057 0.000 1.876 515 Y N 1.549 121.860 120.300 0.019 0.000 2.365 515 Y HA -0.241 4.310 4.550 0.003 0.000 0.287 515 Y C 2.749 178.657 175.900 0.014 0.000 1.162 515 Y CA 2.058 60.169 58.100 0.018 0.000 1.260 515 Y CB -1.144 37.322 38.460 0.010 0.000 0.976 515 Y HN 0.294 nan 8.280 nan 0.000 0.548 516 E N 0.798 121.075 120.200 0.128 0.000 2.358 516 E HA -0.034 4.318 4.350 0.003 0.000 0.195 516 E C 1.967 178.596 176.600 0.048 0.000 1.010 516 E CA 1.276 57.723 56.400 0.078 0.000 0.856 516 E CB -0.823 28.914 29.700 0.061 0.000 0.795 516 E HN 0.605 nan 8.360 nan 0.000 0.504 517 K N -0.038 120.384 120.400 0.036 0.000 2.211 517 K HA 0.463 4.785 4.320 0.003 0.000 0.201 517 K C 1.308 177.936 176.600 0.046 0.000 1.052 517 K CA 0.723 57.028 56.287 0.029 0.000 0.973 517 K CB -0.121 32.388 32.500 0.014 0.000 0.766 517 K HN 0.425 nan 8.250 nan 0.000 0.466 518 L N 0.456 121.710 121.223 0.051 0.000 2.376 518 L HA 0.341 4.682 4.340 0.003 0.000 0.267 518 L C 0.065 176.954 176.870 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 43.145 42.059 0.133 0.000 1.290 518 L HN 0.246 nan 8.230 nan 0.000 0.462 519 N N -0.000 118.663 118.700 -0.061 0.000 2.353 519 N HA -0.067 4.675 4.740 0.003 0.000 0.248 519 N C 0.878 176.291 175.510 -0.160 0.000 1.240 519 N CA 0.197 53.080 53.050 -0.278 0.000 0.862 519 N CB 1.140 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 4.310 124.143 119.914 -0.134 0.000 2.428 520 V HA -0.374 3.748 4.120 0.003 0.000 0.255 520 V C 2.328 178.388 176.094 -0.057 0.000 1.080 520 V CA 2.525 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 0.667 120.990 120.400 -0.130 0.000 2.059 521 K HA -0.250 4.072 4.320 0.003 0.000 0.212 521 K C 2.179 178.795 176.600 0.026 0.000 1.050 521 K CA 2.658 58.895 56.287 -0.083 0.000 0.927 521 K CB -1.087 31.305 32.500 -0.180 0.000 0.714 521 K HN 0.418 nan 8.250 nan 0.000 0.447 522 L N 1.763 123.038 121.223 0.086 0.000 2.042 522 L HA -0.027 4.314 4.340 0.003 0.000 0.210 522 L C 3.395 180.407 176.870 0.235 0.000 1.076 522 L CA 2.660 57.649 54.840 0.248 0.000 0.749 522 L CB -2.063 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 -0.342 120.970 121.223 0.149 0.000 2.042 523 L HA 0.109 4.451 4.340 0.003 0.000 0.210 523 L C 2.943 179.750 176.870 -0.104 0.000 1.076 523 L CA 2.980 57.768 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 0.627 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 3.796 3.960 0.003 0.000 0.216 524 G HA3 -0.166 3.796 3.960 0.003 0.000 0.216 524 G C 1.689 176.598 174.900 0.015 0.000 1.162 524 G CA 1.330 46.425 45.100 -0.008 0.000 0.777 524 G HN 0.486 nan 8.290 nan 0.000 0.539 525 T N 1.605 116.191 114.554 0.053 0.000 2.668 525 T HA 0.083 4.435 4.350 0.003 0.000 0.262 525 T C 2.862 177.590 174.700 0.048 0.000 1.045 525 T CA 1.559 63.719 62.100 0.100 0.000 1.152 525 T CB -0.579 68.388 68.868 0.165 0.000 0.864 525 T HN 0.353 nan 8.240 nan 0.000 0.419 526 A N 1.699 124.522 122.820 0.005 0.000 1.894 526 A HA -0.184 4.138 4.320 0.003 0.000 0.220 526 A C 2.315 179.820 177.584 -0.132 0.000 1.237 526 A CA 1.953 53.930 52.037 -0.101 0.000 0.660 526 A CB -1.246 17.476 19.000 -0.463 0.000 0.835 526 A HN 0.511 nan 8.150 nan 0.000 0.461 527 L N -1.384 119.743 121.223 -0.160 0.000 2.046 527 L HA -0.216 4.126 4.340 0.003 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 4.168 4.350 0.003 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 0.380 nan 8.360 nan 0.000 0.458 529 T N 0.768 115.365 114.554 0.072 0.000 2.867 529 T HA -0.093 4.259 4.350 0.003 0.000 0.268 529 T C 1.736 176.516 174.700 0.134 0.000 1.057 529 T CA 0.817 62.984 62.100 0.112 0.000 1.136 529 T CB -0.027 68.870 68.868 0.049 0.000 0.874 529 T HN 0.188 nan 8.240 nan 0.000 0.466 530 M N 0.752 120.370 119.600 0.031 0.000 2.200 530 M HA 0.011 4.493 4.480 0.003 0.000 0.265 530 M C 2.710 179.087 176.300 0.127 0.000 1.066 530 M CA 1.259 56.577 55.300 0.030 0.000 1.127 530 M CB -0.846 31.735 32.600 -0.031 0.000 1.379 530 M HN 0.402 nan 8.290 nan 0.000 0.420 531 G N -0.746 108.111 108.800 0.095 0.000 2.446 531 G HA2 -0.238 3.724 3.960 0.003 0.000 0.217 531 G HA3 -0.238 3.724 3.960 0.003 0.000 0.217 531 G C 1.571 176.542 174.900 0.119 0.000 1.168 531 G CA 1.274 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 -0.523 115.262 115.700 0.143 0.000 2.419 532 S HA -0.095 4.377 4.470 0.003 0.000 0.235 532 S C 1.717 176.362 174.600 0.075 0.000 1.019 532 S CA 0.797 59.053 58.200 0.093 0.000 0.982 532 S CB -0.342 62.905 63.200 0.079 0.000 0.789 532 S HN 0.435 nan 8.310 nan 0.000 0.490 533 Y N 0.560 120.887 120.300 0.044 0.000 2.496 533 Y HA 0.216 4.767 4.550 0.003 0.000 0.313 533 Y C 2.150 178.136 175.900 0.143 0.000 1.184 533 Y CA -0.739 57.420 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 0.755 120.170 119.300 0.191 0.000 2.376 534 C HA -0.285 4.177 4.460 0.003 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 4.528 4.740 0.003 0.000 0.193 535 N C 1.479 177.061 175.510 0.121 0.000 1.037 535 N CA 1.957 55.056 53.050 0.080 0.000 0.851 535 N CB -1.113 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 2.383 123.704 121.300 0.035 0.000 2.341 536 W HA -0.033 4.628 4.660 0.003 0.000 0.283 536 W C 1.799 178.363 176.519 0.076 0.000 1.215 536 W CA 0.894 58.284 57.345 0.075 0.000 1.211 536 W CB -0.188 29.370 29.460 0.165 0.000 1.131 536 W HN 0.009 nan 8.180 nan 0.000 0.552 537 L N -0.265 121.062 121.223 0.175 0.000 2.156 537 L HA -0.080 4.262 4.340 0.003 0.000 0.208 537 L C 2.234 179.024 176.870 -0.133 0.000 1.095 537 L CA 0.820 55.669 54.840 0.016 0.000 0.770 537 L CB -1.782 40.343 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 4.070 4.170 0.003 0.000 0.249 544 I C -0.192 175.789 176.117 -0.226 0.000 1.122 544 I CA 1.089 62.309 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 -1.453 30.305 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 1.308 64.408 63.100 0.001 0.000 0.798 546 P CB -0.320 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 4.168 4.320 0.003 0.000 0.217 547 A C 2.554 180.107 177.584 -0.051 0.000 1.186 547 A CA 1.833 53.847 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 3.895 4.170 0.003 0.000 0.243 548 I C 3.090 179.190 176.117 -0.030 0.000 1.085 548 I CA 1.827 63.088 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 0.140 118.829 118.700 -0.019 0.000 2.061 549 N HA -0.268 4.474 4.740 0.003 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 0.137 121.344 121.223 -0.028 0.000 2.005 550 L HA 0.108 4.450 4.340 0.003 0.000 0.207 550 L C 2.556 179.384 176.870 -0.071 0.000 1.072 550 L CA 1.261 56.064 54.840 -0.062 0.000 0.744 550 L CB -0.502 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 -0.270 4.072 4.340 0.003 0.000 0.212 551 L C 2.422 179.276 176.870 -0.025 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 3.760 4.120 0.003 0.000 0.251 552 V C 3.189 179.280 176.094 -0.005 0.000 1.063 552 V CA 2.522 64.822 62.300 -0.001 0.000 1.055 552 V CB -1.380 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 0.680 121.173 120.500 -0.012 0.000 2.066 553 R HA -0.070 4.271 4.340 0.003 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 -0.006 0.000 0.851 553 R HN 0.602 nan 8.270 nan 0.000 0.432 554 G N 0.363 109.133 108.800 -0.051 0.000 2.479 554 G HA2 0.070 4.032 3.960 0.003 0.000 0.220 554 G HA3 0.070 4.032 3.960 0.003 0.000 0.220 554 G C 1.836 176.718 174.900 -0.030 0.000 1.115 554 G CA 1.614 46.677 45.100 -0.061 0.000 0.757 554 G HN 0.911 nan 8.290 nan 0.000 0.560 555 L N 0.473 121.686 121.223 -0.016 0.000 2.109 555 L HA 0.146 4.488 4.340 0.003 0.000 0.207 555 L C 2.769 179.638 176.870 -0.002 0.000 1.086 555 L CA 2.349 57.186 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 0.378 119.077 118.700 -0.001 0.000 2.094 556 N HA 0.020 4.762 4.740 0.003 0.000 0.191 556 N C 1.678 177.188 175.510 0.000 0.000 1.023 556 N CA 2.255 55.306 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 -0.367 115.331 115.700 -0.003 0.000 2.625 557 S HA 0.470 4.941 4.470 0.003 0.000 0.262 557 S C 1.926 176.521 174.600 -0.009 0.000 1.223 557 S CA 0.588 58.785 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 1.065 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 4.363 4.470 0.003 0.000 0.224 558 S C 1.013 175.605 174.600 -0.013 0.000 1.035 558 S CA 1.581 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 3.241 122.832 119.600 -0.014 0.000 3.436 559 M HA 0.183 4.665 4.480 0.003 0.000 0.240 559 M C 1.493 177.787 176.300 -0.010 0.000 1.469 559 M CA -0.054 55.239 55.300 -0.012 0.000 1.622 559 M CB -0.036 32.555 32.600 -0.014 0.000 1.098 559 M HN 0.633 nan 8.290 nan 0.000 0.568 560 S N 0.993 116.691 115.700 -0.005 0.000 2.345 560 S HA -0.103 4.369 4.470 0.003 0.000 0.219 560 S C 2.099 176.703 174.600 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 62.941 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 4.151 4.320 0.003 0.000 0.220 561 A C 2.665 180.257 177.584 0.014 0.000 1.185 561 A CA 3.184 55.230 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 -1.240 118.565 119.800 0.010 0.000 2.030 562 Q HA 0.029 4.371 4.340 0.003 0.000 0.204 562 Q C 2.539 178.542 176.000 0.005 0.000 0.986 562 Q CA 2.880 58.689 55.803 0.010 0.000 0.843 562 Q CB -1.422 27.319 28.738 0.005 0.000 0.904 562 Q HN 1.354 nan 8.270 nan 0.000 0.420 563 A N 0.330 123.148 122.820 -0.004 0.000 1.972 563 A HA -0.121 4.201 4.320 0.003 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 -0.937 18.054 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 -0.158 4.194 4.350 0.003 0.000 0.266 564 T C 2.302 177.026 174.700 0.039 0.000 1.047 564 T CA 2.565 64.687 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 0.089 4.431 4.340 0.003 0.000 0.212 565 L C 3.010 179.898 176.870 0.030 0.000 1.073 565 L CA 2.742 57.592 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 -0.791 108.026 108.800 0.029 0.000 2.446 566 G HA2 -0.041 3.921 3.960 0.003 0.000 0.217 566 G HA3 -0.041 3.921 3.960 0.003 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 4.381 4.340 0.003 0.000 0.209 567 L C 2.849 179.778 176.870 0.098 0.000 1.071 567 L CA 3.161 58.035 54.840 0.056 0.000 0.746 567 L CB -1.795 40.297 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 -0.217 4.105 4.320 0.003 0.000 0.208 568 K C 2.503 179.225 176.600 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 0.528 120.789 120.200 0.103 0.000 2.031 569 E HA -0.064 4.287 4.350 0.003 0.000 0.193 569 E C 2.064 178.719 176.600 0.093 0.000 0.994 569 E CA 1.549 57.997 56.400 0.081 0.000 0.800 569 E CB -0.862 28.870 29.700 0.054 0.000 0.752 569 E HN 0.366 nan 8.360 nan 0.000 0.447 570 L N 0.459 121.729 121.223 0.079 0.000 2.013 570 L HA -0.185 4.157 4.340 0.003 0.000 0.212 570 L C 2.748 179.654 176.870 0.061 0.000 1.073 570 L CA 2.186 57.061 54.840 0.059 0.000 0.753 570 L CB -0.629 41.451 42.059 0.035 0.000 0.890 570 L HN 0.616 nan 8.230 nan 0.000 0.432 571 C N -1.161 118.188 119.300 0.081 0.000 2.413 571 C HA -0.183 4.279 4.460 0.003 0.000 0.276 571 C C 2.898 177.931 174.990 0.073 0.000 1.248 571 C CA 1.106 60.158 59.018 0.057 0.000 1.742 571 C CB -1.137 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 0.930 121.529 120.500 0.165 0.000 2.115 572 R HA -0.120 4.222 4.340 0.003 0.000 0.230 572 R C 1.240 177.596 176.300 0.093 0.000 1.111 572 R CA 1.907 58.112 56.100 0.175 0.000 0.976 572 R CB -0.295 30.155 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 4.661 4.640 0.003 0.000 0.208 573 D C 0.688 177.006 176.300 0.031 0.000 0.997 573 D CA 0.524 54.551 54.000 0.046 0.000 0.880 573 D CB 0.493 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 1.322 120.640 119.300 0.030 0.000 3.401 574 C HA 0.455 4.917 4.460 0.003 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 -0.179 27.567 27.740 0.010 0.000 1.967 574 C HN 0.033 nan 8.230 nan 0.000 0.496 575 Q N 1.065 120.876 119.800 0.018 0.000 1.965 575 Q HA -0.136 4.205 4.340 0.003 0.000 0.200 575 Q C 2.214 178.229 176.000 0.025 0.000 0.981 575 Q CA 1.414 57.226 55.803 0.014 0.000 0.834 575 Q CB -0.114 28.625 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 3.969 4.340 0.003 0.000 0.217 576 L C 2.735 179.632 176.870 0.045 0.000 1.077 576 L CA 2.557 57.412 54.840 0.024 0.000 0.769 576 L CB -0.744 41.323 42.059 0.014 0.000 0.890 576 L HN 0.436 nan 8.230 nan 0.000 0.435 577 Q N -0.117 119.711 119.800 0.047 0.000 2.226 577 Q HA -0.145 4.197 4.340 0.003 0.000 0.204 577 Q C 1.965 178.064 176.000 0.164 0.000 0.975 577 Q CA 1.983 57.831 55.803 0.076 0.000 0.866 577 Q CB -0.974 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 -0.462 120.843 121.223 0.137 0.000 2.592 578 L HA 0.103 4.445 4.340 0.003 0.000 0.227 578 L C 3.059 180.094 176.870 0.276 0.000 1.127 578 L CA 0.582 55.562 54.840 0.234 0.000 0.884 578 L CB -0.303 41.802 42.059 0.078 0.000 1.065 578 L HN 0.478 nan 8.230 nan 0.000 0.457 579 K N 1.170 121.658 120.400 0.147 0.000 2.059 579 K HA -0.189 4.133 4.320 0.003 0.000 0.212 579 K C 0.013 176.632 176.600 0.031 0.000 1.050 579 K CA 2.116 58.444 56.287 0.070 0.000 0.927 579 K CB -2.358 30.161 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 0.641 177.752 177.300 -0.314 0.000 1.150 580 P CA 1.102 64.038 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 -1.878 118.421 120.300 -0.002 0.000 2.466 581 Y HA 0.388 4.941 4.550 0.003 0.000 0.272 581 Y C 2.218 178.117 175.900 -0.001 0.000 1.169 581 Y CA -0.123 57.978 58.100 0.001 0.000 1.285 581 Y CB -1.406 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 0.685 123.583 122.820 0.130 0.000 1.902 582 A HA -0.208 4.114 4.320 0.003 0.000 0.217 582 A C 1.739 179.349 177.584 0.044 0.000 1.181 582 A CA 2.189 54.269 52.037 0.072 0.000 0.623 582 A CB -0.628 18.398 19.000 0.042 0.000 0.818 582 A HN 0.345 nan 8.150 nan 0.000 0.443 583 D N -0.112 120.303 120.400 0.025 0.000 2.104 583 D HA -0.087 4.555 4.640 0.003 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 -1.693 39.104 40.800 -0.005 0.000 0.959 583 D HN 0.342 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 1.681 64.813 63.100 0.053 0.000 0.906 584 P CB -0.309 31.440 31.700 0.083 0.000 0.782 585 L N -0.024 121.244 121.223 0.075 0.000 1.963 585 L HA -0.219 4.123 4.340 0.003 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 3.959 4.340 0.003 0.000 0.220 586 L C 2.527 179.410 176.870 0.021 0.000 1.081 586 L CA 3.246 58.098 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 -0.439 118.275 118.700 0.023 0.000 2.300 587 N HA 0.036 4.778 4.740 0.003 0.000 0.179 587 N C 2.155 177.680 175.510 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 38.261 38.487 0.019 0.000 0.979 587 N HN 0.698 nan 8.380 nan 0.000 0.432 588 A N 0.708 123.544 122.820 0.028 0.000 1.969 588 A HA -0.091 4.231 4.320 0.003 0.000 0.218 588 A C 2.546 180.146 177.584 0.027 0.000 1.169 588 A CA 0.931 52.985 52.037 0.027 0.000 0.635 588 A CB -0.736 18.283 19.000 0.031 0.000 0.810 588 A HN 0.402 nan 8.150 nan 0.000 0.445 589 C N -1.520 117.797 119.300 0.028 0.000 2.476 589 C HA 0.058 4.520 4.460 0.003 0.000 0.278 589 C C 3.021 178.031 174.990 0.033 0.000 1.274 589 C CA 1.240 60.276 59.018 0.030 0.000 1.713 589 C CB -1.876 25.882 27.740 0.030 0.000 2.039 589 C HN 0.856 nan 8.230 nan 0.000 0.484 590 H N 0.191 119.278 119.070 0.029 0.000 2.390 590 H HA 0.081 4.639 4.556 0.003 0.000 0.298 590 H C 2.323 177.670 175.328 0.032 0.000 1.106 590 H CA 2.485 58.552 56.048 0.031 0.000 1.297 590 H CB -0.782 28.995 29.762 0.025 0.000 1.375 590 H HN 0.625 nan 8.280 nan 0.000 0.509 591 A N 0.539 123.375 122.820 0.027 0.000 1.872 591 A HA 0.154 4.476 4.320 0.003 0.000 0.214 591 A C 3.087 180.686 177.584 0.024 0.000 1.187 591 A CA 2.454 54.505 52.037 0.023 0.000 0.614 591 A CB -1.346 17.666 19.000 0.020 0.000 0.826 591 A HN 1.058 nan 8.150 nan 0.000 0.442 592 S N -0.427 115.288 115.700 0.025 0.000 2.402 592 S HA 0.066 4.538 4.470 0.003 0.000 0.233 592 S C 2.108 176.726 174.600 0.029 0.000 1.030 592 S CA 2.458 60.673 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 4.355 4.340 0.003 0.000 0.207 593 L C 2.276 179.171 176.870 0.041 0.000 1.086 593 L CA 2.523 57.396 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 0.390 119.110 118.700 0.034 0.000 2.049 594 N HA -0.127 4.615 4.740 0.003 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 -1.722 112.835 114.554 0.005 0.000 2.946 595 T HA 0.311 4.663 4.350 0.003 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 0.694 109.476 108.800 -0.030 0.000 2.744 596 G HA2 0.234 4.196 3.960 0.003 0.000 0.211 596 G HA3 0.234 4.196 3.960 0.003 0.000 0.211 596 G C 1.841 176.707 174.900 -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 -0.426 120.053 120.500 -0.036 0.000 2.103 597 R HA 0.267 4.608 4.340 0.003 0.000 0.242 597 R C 1.916 178.198 176.300 -0.031 0.000 1.142 597 R CA 1.912 57.994 56.100 -0.030 0.000 0.960 597 R CB -1.557 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 5.068 4.480 0.003 0.000 0.344 598 M C 0.861 177.139 176.300 -0.038 0.000 1.170 598 M CA -0.161 55.129 55.300 -0.016 0.000 1.135 598 M CB -1.087 31.516 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 4.724 4.320 0.003 0.000 0.286 599 K C 0.721 177.305 176.600 -0.028 0.000 1.050 599 K CA -0.024 56.239 56.287 -0.040 0.000 0.956 599 K CB -0.469 32.022 32.500 -0.016 0.000 0.990 599 K HN 1.223 nan 8.250 nan 0.000 0.475 600 N N 1.728 120.359 118.700 -0.115 0.000 2.061 600 N HA -0.309 4.433 4.740 0.003 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 0.005 115.761 115.700 0.093 0.000 2.368 601 S HA -0.257 4.215 4.470 0.003 0.000 0.226 601 S C 2.042 176.697 174.600 0.092 0.000 1.044 601 S CA 2.373 60.630 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 1.237 121.678 120.400 0.069 0.000 2.123 602 D HA 0.158 4.800 4.640 0.003 0.000 0.200 602 D C 2.436 178.790 176.300 0.089 0.000 0.976 602 D CA 1.951 55.987 54.000 0.061 0.000 0.831 602 D CB -1.453 39.370 40.800 0.038 0.000 0.974 602 D HN 0.787 nan 8.370 nan 0.000 0.469 603 S N -0.099 115.675 115.700 0.123 0.000 2.440 603 S HA 0.030 4.502 4.470 0.003 0.000 0.240 603 S C 2.299 176.999 174.600 0.167 0.000 1.014 603 S CA 1.676 59.974 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 1.211 121.221 119.914 0.161 0.000 2.358 604 V HA -0.199 3.923 4.120 0.003 0.000 0.246 604 V C 2.530 178.675 176.094 0.086 0.000 1.047 604 V CA 1.788 64.139 62.300 0.084 0.000 1.035 604 V CB -0.585 31.277 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 4.257 4.340 0.003 0.000 0.230 605 R C 2.381 178.782 176.300 0.168 0.000 1.111 605 R CA 1.576 57.742 56.100 0.109 0.000 0.976 605 R CB -0.769 29.563 30.300 0.053 0.000 0.870 605 R HN 0.521 nan 8.270 nan 0.000 0.445 606 L N 0.019 121.313 121.223 0.119 0.000 2.131 606 L HA -0.040 4.302 4.340 0.003 0.000 0.210 606 L C 2.441 179.366 176.870 0.092 0.000 1.092 606 L CA 1.994 56.896 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 -1.187 118.464 119.600 0.086 0.000 2.213 607 M HA -0.061 4.421 4.480 0.003 0.000 0.263 607 M C 2.046 178.382 176.300 0.060 0.000 1.062 607 M CA 1.683 57.010 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 0.210 120.155 119.950 -0.008 0.000 2.075 608 F HA -0.073 4.457 4.527 0.004 0.000 0.297 608 F C 2.370 178.173 175.800 0.006 0.000 1.113 608 F CA 2.285 60.282 58.000 -0.004 0.000 1.218 608 F CB -1.032 37.965 39.000 -0.006 0.000 0.984 608 F HN 0.293 nan 8.300 nan 0.000 0.472 609 S N 1.123 116.833 115.700 0.016 0.000 2.383 609 S HA -0.172 4.299 4.470 0.003 0.000 0.229 609 S C 2.093 176.622 174.600 -0.119 0.000 1.030 609 S CA 1.959 60.119 58.200 -0.066 0.000 1.002 609 S CB -1.126 62.120 63.200 0.078 0.000 0.829 609 S HN 0.486 nan 8.310 nan 0.000 0.467 610 I N 1.184 121.716 120.570 -0.063 0.000 2.076 610 I HA -0.171 4.000 4.170 0.003 0.000 0.237 610 I C 2.907 178.970 176.117 -0.091 0.000 1.059 610 I CA 1.152 62.422 61.300 -0.050 0.000 1.317 610 I CB -0.947 37.042 38.000 -0.018 0.000 1.037 610 I HN 0.406 nan 8.210 nan 0.000 0.398 611 G N 1.072 109.802 108.800 -0.116 0.000 2.503 611 G HA2 -0.264 3.698 3.960 0.003 0.000 0.221 611 G HA3 -0.264 3.698 3.960 0.003 0.000 0.221 611 G C 1.715 176.513 174.900 -0.169 0.000 1.131 611 G CA 0.827 45.856 45.100 -0.118 0.000 0.756 611 G HN 0.215 nan 8.290 nan 0.000 0.572 612 K N -0.038 120.185 120.400 -0.296 0.000 2.155 612 K HA 0.188 4.510 4.320 0.003 0.000 0.203 612 K C 2.494 179.012 176.600 -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 0.281 121.441 121.223 -0.105 0.000 2.131 613 L HA -0.028 4.313 4.340 0.003 0.000 0.206 613 L C 2.455 179.306 176.870 -0.030 0.000 1.087 613 L CA 0.697 55.510 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 0.126 nan 8.230 nan 0.000 0.441 614 M N -0.518 119.060 119.600 -0.038 0.000 2.108 614 M HA -0.216 4.266 4.480 0.003 0.000 0.261 614 M C 2.762 179.050 176.300 -0.021 0.000 1.066 614 M CA 2.055 57.342 55.300 -0.022 0.000 1.107 614 M CB -0.865 31.724 32.600 -0.018 0.000 1.356 614 M HN 0.416 nan 8.290 nan 0.000 0.406 615 S N 1.035 116.716 115.700 -0.033 0.000 2.387 615 S HA -0.063 4.409 4.470 0.003 0.000 0.230 615 S C 1.931 176.520 174.600 -0.018 0.000 1.035 615 S CA 2.100 60.285 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 0.434 nan 8.310 nan 0.000 0.466 616 L N 0.944 122.158 121.223 -0.015 0.000 2.682 616 L HA 0.690 5.032 4.340 0.003 0.000 0.240 616 L C 0.738 177.606 176.870 -0.003 0.000 1.178 616 L CA 0.048 54.886 54.840 -0.005 0.000 0.970 616 L CB -1.367 40.696 42.059 0.006 0.000 1.179 616 L HN 0.505 nan 8.230 nan 0.000 0.435 617 L N -0.768 120.451 121.223 -0.007 0.000 2.400 617 L HA 0.570 4.912 4.340 0.003 0.000 0.264 617 L C 0.676 177.541 176.870 -0.009 0.000 1.061 617 L CA -0.874 53.962 54.840 -0.006 0.000 0.799 617 L CB 1.248 43.304 42.059 -0.006 0.000 1.240 617 L HN 0.385 nan 8.230 nan 0.000 0.461 618 R N 1.157 121.651 120.500 -0.010 0.000 2.560 618 R HA 0.180 4.522 4.340 0.003 0.000 0.270 618 R C -1.489 174.805 176.300 -0.010 0.000 1.074 618 R CA -1.472 54.622 56.100 -0.011 0.000 1.140 618 R CB 0.479 30.772 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 1.578 64.672 63.100 -0.010 0.000 0.908 619 P CB 0.232 31.926 31.700 -0.010 0.000 0.791 620 E N 0.733 120.927 120.200 -0.010 0.000 2.065 620 E HA -0.238 4.114 4.350 0.003 0.000 0.201 620 E C 2.067 178.661 176.600 -0.009 0.000 1.016 620 E CA 1.998 58.393 56.400 -0.010 0.000 0.818 620 E CB -0.668 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 -0.067 120.128 120.200 -0.008 0.000 2.208 621 E HA -0.103 4.249 4.350 0.003 0.000 0.193 621 E C 2.264 178.860 176.600 -0.006 0.000 0.988 621 E CA 0.887 57.283 56.400 -0.007 0.000 0.828 621 E CB -0.166 29.530 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 2.044 622 I HA -0.265 3.907 4.170 0.003 0.000 0.234 622 I C -0.430 175.685 176.117 -0.004 0.000 1.031 622 I CA 1.410 62.707 61.300 -0.004 0.000 1.305 622 I CB -1.806 36.191 38.000 -0.004 0.000 1.026 622 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 1.369 178.661 177.300 -0.012 0.000 1.153 623 P CA 2.162 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 4.096 4.320 0.003 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 -2.100 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 0.388 120.685 120.300 -0.004 0.000 2.200 625 Y HA 0.165 4.717 4.550 0.003 0.000 0.290 625 Y C 2.955 178.855 175.900 0.001 0.000 1.137 625 Y CA 2.213 60.312 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 4.316 4.340 0.003 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 -2.141 39.923 42.059 0.008 0.000 0.894 626 L HN 0.708 nan 8.230 nan 0.000 0.432 627 D N -0.394 119.992 120.400 -0.023 0.000 2.104 627 D HA -0.004 4.638 4.640 0.003 0.000 0.194 627 D C 2.338 178.627 176.300 -0.018 0.000 0.994 627 D CA 3.292 57.270 54.000 -0.036 0.000 0.830 627 D CB -0.791 39.990 40.800 -0.033 0.000 0.959 627 D HN 1.151 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 0.246 4.418 4.170 0.003 0.000 0.254 628 I C 2.540 178.664 176.117 0.012 0.000 1.156 628 I CA 1.314 62.616 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 0.494 nan 8.210 nan 0.000 0.432 629 I N -1.307 119.270 120.570 0.011 0.000 4.057 629 I HA 0.030 4.202 4.170 0.003 0.000 0.334 629 I C 1.791 177.926 176.117 0.029 0.000 1.308 629 I CA 0.523 61.834 61.300 0.019 0.000 1.125 629 I CB 0.943 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 4.043 4.120 0.003 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 0.371 32.214 31.823 0.033 0.000 0.941 630 V HN 0.436 nan 8.190 nan 0.000 0.471 631 S N 1.956 117.657 115.700 0.002 0.000 2.368 631 S HA -0.203 4.269 4.470 0.003 0.000 0.226 631 S C -0.117 174.550 174.600 0.110 0.000 1.044 631 S CA 2.095 60.295 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 2.180 179.546 177.300 0.109 0.000 1.153 632 P CA 1.912 65.064 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 -1.689 117.690 119.300 0.132 0.000 2.413 633 C HA -0.165 4.296 4.460 0.003 0.000 0.276 633 C C 2.482 177.471 174.990 -0.003 0.000 1.236 633 C CA 1.115 60.158 59.018 0.041 0.000 1.735 633 C CB -2.051 25.670 27.740 -0.032 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 4.501 4.527 0.004 0.000 0.295 634 F C 2.699 178.468 175.800 -0.051 0.000 1.100 634 F CA 1.727 59.684 58.000 -0.073 0.000 1.260 634 F CB -0.922 38.051 39.000 -0.046 0.000 1.009 634 F HN 0.504 nan 8.300 nan 0.000 0.476 635 E N 0.588 120.895 120.200 0.179 0.000 2.085 635 E HA -0.299 4.053 4.350 0.003 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 1.405 121.631 120.200 0.044 0.000 2.049 636 E HA -0.265 4.087 4.350 0.003 0.000 0.198 636 E C 2.552 179.150 176.600 -0.004 0.000 1.007 636 E CA 1.944 58.359 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 0.371 nan 8.360 nan 0.000 0.450 637 L N 0.633 121.832 121.223 -0.039 0.000 2.012 637 L HA -0.231 4.111 4.340 0.003 0.000 0.210 637 L C 2.824 179.664 176.870 -0.051 0.000 1.073 637 L CA 3.228 58.017 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 -0.816 118.973 119.800 -0.019 0.000 2.061 638 Q HA -0.091 4.251 4.340 0.003 0.000 0.204 638 Q C 2.670 178.670 176.000 0.001 0.000 0.984 638 Q CA 3.345 59.149 55.803 0.002 0.000 0.846 638 Q CB -1.446 27.312 28.738 0.033 0.000 0.902 638 Q HN 1.470 nan 8.270 nan 0.000 0.421 639 A N 0.386 123.210 122.820 0.005 0.000 1.873 639 A HA -0.102 4.219 4.320 0.003 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 -0.512 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 3.889 4.170 0.003 0.000 0.251 640 I C 2.901 179.010 176.117 -0.012 0.000 1.129 640 I CA 0.900 62.193 61.300 -0.011 0.000 1.402 640 I CB -1.187 36.802 38.000 -0.019 0.000 1.069 640 I HN 0.601 nan 8.210 nan 0.000 0.424 641 C N 0.216 119.507 119.300 -0.016 0.000 2.401 641 C HA -0.195 4.267 4.460 0.003 0.000 0.286 641 C C 2.931 177.920 174.990 -0.003 0.000 1.332 641 C CA 2.212 61.223 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 -0.715 119.084 119.800 -0.001 0.000 2.152 642 Q HA 0.319 4.661 4.340 0.003 0.000 0.206 642 Q C 1.517 177.518 176.000 0.001 0.000 0.985 642 Q CA 3.038 58.842 55.803 0.002 0.000 0.863 642 Q CB -1.166 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 1.184 178.483 177.300 -0.002 0.000 1.146 648 P CA 1.504 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 0.190 123.008 122.820 -0.004 0.000 1.970 649 A HA 0.192 4.514 4.320 0.003 0.000 0.216 649 A C 2.435 180.015 177.584 -0.006 0.000 1.170 649 A CA 1.348 53.381 52.037 -0.007 0.000 0.645 649 A CB -1.137 17.858 19.000 -0.009 0.000 0.816 649 A HN 0.236 nan 8.150 nan 0.000 0.447 650 A N -0.181 122.637 122.820 -0.004 0.000 1.930 650 A HA 0.131 4.453 4.320 0.003 0.000 0.215 650 A C 2.438 180.021 177.584 -0.001 0.000 1.176 650 A CA 1.937 53.972 52.037 -0.003 0.000 0.632 650 A CB -0.844 18.153 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 4.203 4.340 0.003 0.000 0.243 651 R C 2.154 178.460 176.300 0.011 0.000 1.143 651 R CA 2.143 58.245 56.100 0.003 0.000 0.968 651 R CB -1.977 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 0.198 120.776 120.570 0.012 0.000 2.113 652 I HA -0.142 4.030 4.170 0.003 0.000 0.238 652 I C 3.349 179.494 176.117 0.048 0.000 1.070 652 I CA 1.895 63.209 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 4.072 4.340 0.003 0.000 0.243 653 R C 2.254 178.598 176.300 0.074 0.000 1.143 653 R CA 2.506 58.645 56.100 0.065 0.000 0.968 653 R CB -2.279 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 0.685 115.252 114.554 0.021 0.000 2.708 654 T HA -0.027 4.325 4.350 0.003 0.000 0.266 654 T C 2.038 176.723 174.700 -0.025 0.000 1.037 654 T CA 1.445 63.532 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 4.022 4.170 0.003 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 2.110 122.032 119.950 -0.048 0.000 2.025 656 F HA -0.303 4.226 4.527 0.003 0.000 0.297 656 F C 2.703 178.459 175.800 -0.074 0.000 1.132 656 F CA 1.785 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 0.747 121.136 120.500 -0.186 0.000 2.103 657 R HA -0.180 4.162 4.340 0.003 0.000 0.242 657 R C 2.416 178.475 176.300 -0.403 0.000 1.142 657 R CA 1.736 57.623 56.100 -0.356 0.000 0.960 657 R CB -1.450 28.743 30.300 -0.179 0.000 0.858 657 R HN 0.442 nan 8.270 nan 0.000 0.439 658 L N 0.866 121.914 121.223 -0.292 0.000 2.017 658 L HA -0.200 4.142 4.340 0.003 0.000 0.208 658 L C 2.035 178.781 176.870 -0.207 0.000 1.073 658 L CA 1.317 55.996 54.840 -0.269 0.000 0.745 658 L CB -0.487 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 -0.177 4.565 4.740 0.003 0.000 0.188 659 N C 1.896 177.283 175.510 -0.205 0.000 1.024 659 N CA 1.267 54.245 53.050 -0.120 0.000 0.852 659 N CB -0.239 38.207 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 4.307 4.480 0.003 0.000 0.257 660 M C 1.822 177.932 176.300 -0.318 0.000 1.071 660 M CA 1.380 56.418 55.300 -0.435 0.000 1.096 660 M CB -0.466 31.716 32.600 -0.696 0.000 1.330 660 M HN 0.063 nan 8.290 nan 0.000 0.403 661 I N -0.902 119.437 120.570 -0.385 0.000 2.113 661 I HA -0.226 3.946 4.170 0.003 0.000 0.238 661 I C 2.559 178.406 176.117 -0.451 0.000 1.070 661 I CA 1.286 62.259 61.300 -0.545 0.000 1.332 661 I CB -1.942 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 0.352 115.968 115.700 -0.139 0.000 2.389 662 S HA -0.243 4.229 4.470 0.003 0.000 0.231 662 S C 2.064 176.752 174.600 0.147 0.000 1.052 662 S CA 2.463 60.785 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 1.973 116.532 114.554 0.009 0.000 2.698 663 T HA -0.009 4.343 4.350 0.003 0.000 0.260 663 T C 1.722 176.453 174.700 0.053 0.000 1.044 663 T CA 1.245 63.359 62.100 0.024 0.000 1.149 663 T CB -0.608 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 0.745 121.952 121.223 -0.027 0.000 2.051 664 L HA -0.086 4.256 4.340 0.003 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 -0.898 41.097 42.059 -0.107 0.000 0.890 664 L HN 0.335 nan 8.230 nan 0.000 0.433 665 F N -1.446 118.537 119.950 0.055 0.000 2.075 665 F HA -0.295 4.234 4.527 0.004 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 -0.632 38.437 39.000 0.115 0.000 0.984 665 F HN 0.227 nan 8.300 nan 0.000 0.472 666 S N 0.224 116.060 115.700 0.227 0.000 2.368 666 S HA -0.297 4.175 4.470 0.003 0.000 0.226 666 S C 2.235 176.898 174.600 0.105 0.000 1.044 666 S CA 2.234 60.481 58.200 0.077 0.000 1.062 666 S CB -0.712 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 0.098 115.865 115.700 0.111 0.000 2.436 667 S HA 0.087 4.559 4.470 0.003 0.000 0.228 667 S C 1.746 176.319 174.600 -0.045 0.000 1.014 667 S CA 0.817 59.010 58.200 -0.011 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 1.982 123.221 121.223 0.028 0.000 2.610 668 L HA 0.287 4.629 4.340 0.003 0.000 0.232 668 L C 1.930 178.819 176.870 0.032 0.000 1.149 668 L CA 0.512 55.373 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 -0.006 4.736 4.740 0.003 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 38.512 38.487 0.028 0.000 0.972 669 N HN 0.484 nan 8.380 nan 0.000 0.456 685 V N -0.741 119.151 119.914 -0.036 0.000 3.621 685 V HA 0.483 4.605 4.120 0.003 0.000 0.285 685 V C 2.930 178.979 176.094 -0.076 0.000 1.346 685 V CA 1.973 64.254 62.300 -0.032 0.000 1.104 685 V CB -0.500 31.296 31.823 -0.046 0.000 0.913 685 V HN 1.317 nan 8.190 nan 0.000 0.432 686 L N -0.905 120.269 121.223 -0.083 0.000 2.013 686 L HA -0.151 4.191 4.340 0.003 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 4.220 4.340 0.003 0.000 0.211 687 L C 2.555 179.408 176.870 -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 -0.832 119.072 119.914 -0.016 0.000 2.295 688 V HA -0.311 3.811 4.120 0.003 0.000 0.246 688 V C 2.483 178.606 176.094 0.048 0.000 1.049 688 V CA 1.958 64.261 62.300 0.005 0.000 1.024 688 V CB -0.632 31.257 31.823 0.110 0.000 0.648 688 V HN 0.566 nan 8.190 nan 0.000 0.447 689 M N 0.953 120.567 119.600 0.024 0.000 2.132 689 M HA -0.099 4.383 4.480 0.003 0.000 0.263 689 M C 2.264 178.567 176.300 0.005 0.000 1.065 689 M CA 2.475 57.784 55.300 0.014 0.000 1.122 689 M CB -1.128 31.375 32.600 -0.160 0.000 1.365 689 M HN 0.392 nan 8.290 nan 0.000 0.411 690 Q N 0.195 119.981 119.800 -0.024 0.000 2.062 690 Q HA -0.212 4.130 4.340 0.003 0.000 0.209 690 Q C 2.265 178.271 176.000 0.009 0.000 0.996 690 Q CA 3.361 59.154 55.803 -0.018 0.000 0.859 690 Q CB -1.877 26.846 28.738 -0.024 0.000 0.920 690 Q HN 0.794 nan 8.270 nan 0.000 0.415 691 R N 0.106 120.612 120.500 0.010 0.000 2.323 691 R HA 0.157 4.499 4.340 0.003 0.000 0.198 691 R C 2.247 178.588 176.300 0.069 0.000 0.988 691 R CA 1.550 57.661 56.100 0.017 0.000 1.041 691 R CB -0.873 29.415 30.300 -0.021 0.000 0.926 691 R HN 0.686 nan 8.270 nan 0.000 0.476 692 T N 0.518 115.154 114.554 0.137 0.000 3.042 692 T HA -0.013 4.339 4.350 0.003 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 1.470 121.169 119.600 0.165 0.000 2.153 693 M HA -0.128 4.354 4.480 0.003 0.000 0.253 693 M C -1.187 175.200 176.300 0.146 0.000 1.081 693 M CA 2.063 57.397 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 1.490 64.667 63.100 0.129 0.000 0.814 694 P CB -0.437 31.319 31.700 0.095 0.000 0.787 695 I N -5.283 115.385 120.570 0.163 0.000 2.493 695 I HA -0.162 4.010 4.170 0.003 0.000 0.254 695 I C 1.606 177.709 176.117 -0.022 0.000 1.160 695 I CA 1.514 62.849 61.300 0.058 0.000 1.445 695 I CB -0.918 37.091 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 4.514 4.527 0.003 0.000 0.299 696 F C 2.509 178.333 175.800 0.041 0.000 1.087 696 F CA 1.338 59.223 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 4.118 4.320 0.003 0.000 0.208 697 K C 2.680 179.391 176.600 0.185 0.000 1.048 697 K CA 1.668 58.143 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 1.399 121.966 120.500 0.111 0.000 2.081 698 R HA -0.100 4.242 4.340 0.003 0.000 0.235 698 R C 2.062 178.383 176.300 0.036 0.000 1.131 698 R CA 1.903 58.037 56.100 0.057 0.000 0.960 698 R CB -1.542 28.775 30.300 0.029 0.000 0.856 698 R HN 0.230 nan 8.270 nan 0.000 0.436 699 I N 0.681 121.256 120.570 0.008 0.000 2.286 699 I HA -0.185 3.986 4.170 0.003 0.000 0.248 699 I C 3.081 179.227 176.117 0.048 0.000 1.115 699 I CA 1.157 62.445 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 4.046 4.320 0.003 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 -0.825 119.412 120.200 0.061 0.000 2.077 701 E HA -0.202 4.150 4.350 0.003 0.000 0.193 701 E C 1.888 178.501 176.600 0.022 0.000 0.989 701 E CA 1.810 58.230 56.400 0.034 0.000 0.800 701 E CB -0.674 29.046 29.700 0.033 0.000 0.746 701 E HN 0.539 nan 8.360 nan 0.000 0.452 702 M N -1.256 118.355 119.600 0.019 0.000 2.175 702 M HA -0.028 4.454 4.480 0.003 0.000 0.264 702 M C 2.503 178.809 176.300 0.010 0.000 1.063 702 M CA 1.582 56.887 55.300 0.009 0.000 1.119 702 M CB -1.293 31.307 32.600 -0.000 0.000 1.377 702 M HN 0.817 nan 8.290 nan 0.000 0.415 703 W N -0.252 121.058 121.300 0.017 0.000 3.330 703 W HA 0.365 5.027 4.660 0.003 0.000 0.348 703 W C 1.844 178.374 176.519 0.018 0.000 1.205 703 W CA 0.056 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 -0.257 3.865 4.120 0.003 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 -0.542 119.659 120.200 0.001 0.000 2.472 705 E HA 0.276 4.628 4.350 0.003 0.000 0.196 705 E C 1.069 177.671 176.600 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 0.527 120.730 120.200 0.006 0.000 2.149 706 E HA 0.613 4.965 4.350 0.003 0.000 0.255 706 E C 0.781 177.388 176.600 0.012 0.000 0.888 706 E CA -0.371 56.034 56.400 0.008 0.000 0.742 706 E CB -0.256 29.449 29.700 0.009 0.000 1.164 706 E HN 0.382 nan 8.360 nan 0.000 0.422 707 I N 1.170 121.746 120.570 0.011 0.000 2.264 707 I HA -0.227 3.945 4.170 0.003 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 37.459 38.000 0.011 0.000 1.060 707 I HN 0.732 nan 8.210 nan 0.000 0.418 708 D N 1.067 121.478 120.400 0.019 0.000 2.137 708 D HA -0.196 4.446 4.640 0.003 0.000 0.189 708 D C 2.169 178.484 176.300 0.025 0.000 0.998 708 D CA 2.507 56.520 54.000 0.022 0.000 0.839 708 D CB -1.011 39.801 40.800 0.019 0.000 0.962 708 D HN 0.129 nan 8.370 nan 0.000 0.446 709 V N -0.193 119.733 119.914 0.021 0.000 2.407 709 V HA -0.142 3.980 4.120 0.003 0.000 0.248 709 V C 2.760 178.875 176.094 0.035 0.000 1.055 709 V CA 1.387 63.699 62.300 0.019 0.000 1.049 709 V CB -0.459 31.370 31.823 0.011 0.000 0.662 709 V HN 0.445 nan 8.190 nan 0.000 0.455 710 L N 0.971 122.218 121.223 0.041 0.000 1.970 710 L HA -0.192 4.150 4.340 0.003 0.000 0.212 710 L C 2.899 179.814 176.870 0.075 0.000 1.071 710 L CA 2.728 57.605 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 -0.817 119.413 120.200 0.051 0.000 2.097 711 E HA -0.218 4.134 4.350 0.003 0.000 0.196 711 E C 2.227 178.862 176.600 0.059 0.000 1.000 711 E CA 1.845 58.275 56.400 0.050 0.000 0.804 711 E CB -1.171 28.552 29.700 0.038 0.000 0.740 711 E HN 0.632 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 0.200 4.522 4.320 0.003 0.000 0.217 712 A C 2.844 180.464 177.584 0.061 0.000 1.186 712 A CA 2.772 54.837 52.037 0.046 0.000 0.624 712 A CB -0.787 18.227 19.000 0.023 0.000 0.822 712 A HN 1.062 nan 8.150 nan 0.000 0.444 713 A N -1.112 121.759 122.820 0.085 0.000 1.873 713 A HA -0.138 4.183 4.320 0.003 0.000 0.215 713 A C 2.333 180.071 177.584 0.256 0.000 1.186 713 A CA 1.581 53.711 52.037 0.154 0.000 0.616 713 A CB -1.321 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 4.311 4.460 0.003 0.000 0.276 714 C C 3.462 178.465 174.990 0.022 0.000 1.236 714 C CA 1.656 60.796 59.018 0.204 0.000 1.735 714 C CB -1.294 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 2.083 117.765 115.700 -0.031 0.000 2.359 715 S HA -0.230 4.242 4.470 0.003 0.000 0.223 715 S C 2.042 176.400 174.600 -0.404 0.000 1.039 715 S CA 1.862 59.916 58.200 -0.242 0.000 1.042 715 S CB -0.930 62.261 63.200 -0.015 0.000 0.915 715 S HN 0.682 nan 8.310 nan 0.000 0.439 716 A N 2.134 124.950 122.820 -0.006 0.000 1.873 716 A HA -0.140 4.182 4.320 0.003 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 -1.030 18.156 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 -0.161 4.321 4.480 0.003 0.000 0.258 717 M C 2.310 178.478 176.300 -0.219 0.000 1.070 717 M CA 3.117 58.212 55.300 -0.341 0.000 1.103 717 M CB -0.862 31.505 32.600 -0.387 0.000 1.321 717 M HN 0.453 nan 8.290 nan 0.000 0.405 718 K N -0.713 119.568 120.400 -0.198 0.000 2.020 718 K HA -0.215 4.107 4.320 0.003 0.000 0.212 718 K C 1.892 178.426 176.600 -0.111 0.000 1.050 718 K CA 2.316 58.492 56.287 -0.184 0.000 0.929 718 K CB -2.202 30.154 32.500 -0.239 0.000 0.714 718 K HN 0.764 nan 8.250 nan 0.000 0.443 719 H N -0.129 118.965 119.070 0.039 0.000 2.422 719 H HA 0.062 4.620 4.556 0.003 0.000 0.298 719 H C 2.400 177.704 175.328 -0.039 0.000 1.098 719 H CA 1.433 57.514 56.048 0.055 0.000 1.315 719 H CB -0.601 29.256 29.762 0.158 0.000 1.382 719 H HN 0.596 nan 8.280 nan 0.000 0.523 720 A N 1.134 123.917 122.820 -0.062 0.000 1.975 720 A HA 0.088 4.410 4.320 0.003 0.000 0.215 720 A C 2.861 180.264 177.584 -0.301 0.000 1.170 720 A CA 1.239 52.998 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 4.052 4.170 0.003 0.000 0.254 721 I C 2.474 178.530 176.117 -0.102 0.000 1.156 721 I CA 2.583 63.790 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 1.292 115.804 114.554 -0.069 0.000 2.759 722 T HA -0.182 4.170 4.350 0.003 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 4.691 4.740 0.003 0.000 0.186 723 N C 1.897 177.365 175.510 -0.070 0.000 1.019 723 N CA 1.468 54.471 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 0.691 121.866 121.223 -0.080 0.000 1.990 724 L HA -0.132 4.209 4.340 0.003 0.000 0.213 724 L C 2.962 179.805 176.870 -0.045 0.000 1.072 724 L CA 3.131 57.932 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 0.024 120.501 120.500 -0.039 0.000 2.133 725 R HA -0.084 4.258 4.340 0.003 0.000 0.245 725 R C 1.670 177.956 176.300 -0.024 0.000 1.137 725 R CA 2.216 58.300 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 0.810 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 -0.454 31.230 31.700 -0.027 0.000 0.814 731 M N -1.083 118.486 119.600 -0.051 0.000 2.175 731 M HA 0.206 4.688 4.480 0.003 0.000 0.264 731 M C 2.620 178.891 176.300 -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 0.133 121.334 121.223 -0.036 0.000 2.129 732 L HA -0.032 4.310 4.340 0.003 0.000 0.212 732 L C 2.546 179.411 176.870 -0.009 0.000 1.087 732 L CA 3.680 58.507 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 -0.732 119.063 119.800 -0.007 0.000 2.020 733 Q HA -0.286 4.056 4.340 0.003 0.000 0.202 733 Q C 2.183 178.195 176.000 0.019 0.000 0.982 733 Q CA 1.732 57.537 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 0.075 120.484 120.400 0.016 0.000 2.264 734 D HA -0.072 4.570 4.640 0.003 0.000 0.208 734 D C 2.017 178.375 176.300 0.097 0.000 0.966 734 D CA 1.515 55.541 54.000 0.044 0.000 0.864 734 D CB -0.220 40.589 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 -0.121 4.221 4.340 0.003 0.000 0.208 735 L C 3.243 180.168 176.870 0.093 0.000 1.071 735 L CA 2.412 57.329 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 4.778 4.460 0.003 0.000 0.281 736 C C 3.023 178.025 174.990 0.020 0.000 1.336 736 C CA 2.934 61.958 59.018 0.011 0.000 1.770 736 C CB -1.536 26.208 27.740 0.006 0.000 1.929 736 C HN 0.967 nan 8.230 nan 0.000 0.509 737 L N -1.717 119.541 121.223 0.058 0.000 2.127 737 L HA 0.244 4.586 4.340 0.003 0.000 0.203 737 L C 2.591 179.529 176.870 0.114 0.000 1.080 737 L CA 2.106 56.989 54.840 0.072 0.000 0.768 737 L CB -1.731 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 4.471 4.527 0.003 0.000 0.299 738 F C 2.020 177.821 175.800 0.001 0.000 1.090 738 F CA 1.590 59.598 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 0.100 120.502 120.570 -0.281 0.000 2.500 739 I HA -0.130 4.042 4.170 0.003 0.000 0.252 739 I C 2.506 178.494 176.117 -0.215 0.000 1.142 739 I CA 0.926 61.999 61.300 -0.377 0.000 1.451 739 I CB -0.781 37.087 38.000 -0.219 0.000 1.093 739 I HN 0.162 nan 8.210 nan 0.000 0.430 740 V N 0.436 120.283 119.914 -0.110 0.000 3.141 740 V HA -0.016 4.106 4.120 0.003 0.000 0.265 740 V C 2.404 178.460 176.094 -0.063 0.000 1.126 740 V CA 2.166 64.427 62.300 -0.066 0.000 1.141 740 V CB -0.633 31.175 31.823 -0.025 0.000 0.743 740 V HN 0.321 nan 8.190 nan 0.000 0.492 741 A N -0.739 122.033 122.820 -0.080 0.000 1.973 741 A HA 0.350 4.672 4.320 0.003 0.000 0.210 741 A C 2.562 180.086 177.584 -0.100 0.000 1.200 741 A CA 1.725 53.732 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 -0.644 114.927 115.700 -0.216 0.000 2.348 742 S HA 0.053 4.525 4.470 0.003 0.000 0.221 742 S C 2.173 176.680 174.600 -0.155 0.000 1.033 742 S CA 2.206 60.262 58.200 -0.240 0.000 1.010 742 S CB -1.196 61.736 63.200 -0.448 0.000 0.891 742 S HN 1.221 nan 8.310 nan 0.000 0.442 743 F N 1.209 121.069 119.950 -0.150 0.000 2.192 743 F HA 0.277 4.806 4.527 0.003 0.000 0.301 743 F C 2.034 177.785 175.800 -0.082 0.000 1.079 743 F CA 2.014 59.951 58.000 -0.105 0.000 1.303 743 F CB -1.654 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 5.210 4.460 0.003 0.000 0.397 748 C C 2.064 177.039 174.990 -0.024 0.000 1.301 748 C CA 0.919 59.917 59.018 -0.032 0.000 2.219 748 C CB -0.020 27.706 27.740 -0.024 0.000 2.699 748 C HN 2.025 nan 8.230 nan 0.000 0.669 749 A N 2.615 125.431 122.820 -0.007 0.000 1.978 749 A HA -0.044 4.278 4.320 0.003 0.000 0.220 749 A C 0.584 178.169 177.584 0.002 0.000 1.170 749 A CA 2.391 54.434 52.037 0.009 0.000 0.636 749 A CB -1.496 17.516 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 65.401 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 4.120 4.350 0.003 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 4.735 4.340 0.003 0.000 0.212 752 L C 2.844 179.577 176.870 -0.230 0.000 1.105 752 L CA 2.641 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 4.090 4.350 0.003 0.000 0.194 753 E C 2.060 178.593 176.600 -0.111 0.000 0.997 753 E CA 2.220 58.570 56.400 -0.083 0.000 0.801 753 E CB -0.844 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 -2.548 117.953 120.570 -0.115 0.000 2.233 754 I HA 0.056 4.228 4.170 0.003 0.000 0.243 754 I C 2.920 178.944 176.117 -0.155 0.000 1.093 754 I CA 1.856 63.096 61.300 -0.100 0.000 1.380 754 I CB -0.960 37.013 38.000 -0.045 0.000 1.067 754 I HN 0.287 nan 8.210 nan 0.000 0.413 755 S N 3.228 118.780 115.700 -0.246 0.000 2.368 755 S HA -0.310 4.162 4.470 0.003 0.000 0.226 755 S C 2.308 176.715 174.600 -0.322 0.000 1.044 755 S CA 2.727 60.729 58.200 -0.330 0.000 1.062 755 S CB -0.780 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 0.609 120.785 120.400 -0.374 0.000 2.009 756 K HA -0.145 4.177 4.320 0.003 0.000 0.210 756 K C 2.061 178.588 176.600 -0.122 0.000 1.049 756 K CA 2.349 58.497 56.287 -0.232 0.000 0.929 756 K CB -1.295 31.100 32.500 -0.175 0.000 0.714 756 K HN 0.453 nan 8.250 nan 0.000 0.440 757 T N 1.554 116.046 114.554 -0.103 0.000 2.665 757 T HA -0.156 4.196 4.350 0.003 0.000 0.268 757 T C 2.107 176.773 174.700 -0.057 0.000 1.035 757 T CA 1.962 64.025 62.100 -0.061 0.000 1.151 757 T CB -0.511 68.327 68.868 -0.051 0.000 0.862 757 T HN 0.477 nan 8.240 nan 0.000 0.438 758 A N 1.372 124.148 122.820 -0.072 0.000 1.845 758 A HA -0.039 4.283 4.320 0.003 0.000 0.215 758 A C 2.334 179.889 177.584 -0.048 0.000 1.195 758 A CA 1.459 53.462 52.037 -0.058 0.000 0.616 758 A CB -0.929 18.033 19.000 -0.062 0.000 0.832 758 A HN 0.513 nan 8.150 nan 0.000 0.443 759 I N 0.555 121.088 120.570 -0.061 0.000 2.113 759 I HA -0.295 3.877 4.170 0.003 0.000 0.242 759 I C 2.386 178.493 176.117 -0.016 0.000 1.064 759 I CA 1.918 63.197 61.300 -0.035 0.000 1.320 759 I CB -0.596 37.381 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 3.947 4.120 0.003 0.000 0.270 760 V C 1.976 178.067 176.094 -0.006 0.000 1.149 760 V CA 1.202 63.498 62.300 -0.006 0.000 1.160 760 V CB -0.595 31.224 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 4.965 4.480 0.003 0.000 0.262 761 M C 1.024 177.319 176.300 -0.009 0.000 1.097 761 M CA 0.694 55.988 55.300 -0.011 0.000 0.991 761 M CB -0.096 32.494 32.600 -0.017 0.000 1.450 761 M HN 0.801 nan 8.290 nan 0.000 0.495 762 F N -1.238 118.708 119.950 -0.006 0.000 2.893 762 F HA 0.779 5.308 4.527 0.003 0.000 0.340 762 F C 0.150 175.953 175.800 0.006 0.000 1.300 762 F CA -1.368 56.631 58.000 -0.002 0.000 1.227 762 F CB -1.002 nan 39.000 nan 0.000 1.044 762 F HN 0.317 nan 8.300 nan 0.000 0.512 770 P HA -0.028 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 2.460 65.567 63.100 0.011 0.000 0.893 770 P CB -0.740 30.964 31.700 0.007 0.000 0.784 771 L N 0.675 121.902 121.223 0.007 0.000 2.064 771 L HA -0.203 4.139 4.340 0.003 0.000 0.216 771 L C 2.984 179.857 176.870 0.006 0.000 1.077 771 L CA 3.712 58.555 54.840 0.004 0.000 0.766 771 L CB -2.438 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 4.296 4.480 0.003 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 0.598 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 4.093 4.340 0.003 0.000 0.204 773 Q C 2.308 178.335 176.000 0.044 0.000 0.982 773 Q CA 3.126 58.957 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 0.495 120.313 119.800 0.031 0.000 2.079 774 Q HA -0.143 4.199 4.340 0.003 0.000 0.200 774 Q C 1.930 177.950 176.000 0.033 0.000 0.974 774 Q CA 1.558 57.377 55.803 0.026 0.000 0.840 774 Q CB -0.886 27.861 28.738 0.016 0.000 0.898 774 Q HN 0.435 nan 8.270 nan 0.000 0.430 775 L N -0.446 120.794 121.223 0.029 0.000 2.093 775 L HA 0.015 4.357 4.340 0.003 0.000 0.208 775 L C 2.397 179.317 176.870 0.084 0.000 1.085 775 L CA 1.898 56.755 54.840 0.027 0.000 0.755 775 L CB -0.366 41.688 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 4.237 4.340 0.003 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 0.233 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 -0.344 120.212 120.500 0.095 0.000 2.081 777 R HA -0.183 4.159 4.340 0.003 0.000 0.235 777 R C 2.271 178.581 176.300 0.016 0.000 1.131 777 R CA 1.732 57.855 56.100 0.039 0.000 0.960 777 R CB -0.255 30.063 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 4.140 4.350 0.003 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 1.376 121.265 119.950 -0.101 0.000 2.120 779 F HA -0.150 4.379 4.527 0.003 0.000 0.300 779 F C 2.133 177.811 175.800 -0.203 0.000 1.095 779 F CA 1.918 59.846 58.000 -0.119 0.000 1.249 779 F CB -0.418 38.550 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 -0.464 0.000 2.193 780 I HA -0.271 3.901 4.170 0.003 0.000 0.240 780 I C 2.502 178.000 176.117 -1.031 0.000 1.084 780 I CA 1.573 62.397 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 0.174 nan 8.210 nan 0.000 0.410 781 Q N 0.257 119.795 119.800 -0.436 0.000 2.226 781 Q HA -0.203 4.139 4.340 0.003 0.000 0.204 781 Q C 2.276 178.149 176.000 -0.212 0.000 0.975 781 Q CA 1.826 57.535 55.803 -0.157 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 -2.578 116.313 119.070 -0.299 0.000 2.372 782 H HA 0.126 4.684 4.556 0.003 0.000 0.301 782 H C 2.453 177.556 175.328 -0.374 0.000 1.065 782 H CA 0.578 56.483 56.048 -0.238 0.000 1.364 782 H CB -0.780 28.884 29.762 -0.164 0.000 1.406 782 H HN 0.319 nan 8.280 nan 0.000 0.521 783 S N 0.539 115.838 115.700 -0.670 0.000 2.374 783 S HA -0.173 4.299 4.470 0.003 0.000 0.227 783 S C 1.855 175.992 174.600 -0.772 0.000 1.037 783 S CA 1.797 59.436 58.200 -0.936 0.000 1.024 783 S CB -0.666 61.423 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 4.321 4.527 0.003 0.000 0.298 784 F C 2.946 178.589 175.800 -0.263 0.000 1.104 784 F CA 1.151 58.834 58.000 -0.528 0.000 1.232 784 F CB -0.733 38.028 39.000 -0.399 0.000 0.987 784 F HN 0.261 nan 8.300 nan 0.000 0.475 785 K N 0.636 121.021 120.400 -0.025 0.000 2.059 785 K HA -0.231 4.091 4.320 0.003 0.000 0.212 785 K C 1.789 178.367 176.600 -0.036 0.000 1.050 785 K CA 2.007 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 -0.719 120.442 121.223 -0.102 0.000 2.056 786 L HA 0.060 4.402 4.340 0.003 0.000 0.207 786 L C 2.479 179.320 176.870 -0.048 0.000 1.078 786 L CA 1.542 56.328 54.840 -0.090 0.000 0.749 786 L CB -0.328 41.644 42.059 -0.145 0.000 0.901 786 L HN 0.398 nan 8.230 nan 0.000 0.433 787 F N -0.431 119.480 119.950 -0.066 0.000 2.451 787 F HA -0.081 4.448 4.527 0.003 0.000 0.299 787 F C 2.295 178.229 175.800 0.222 0.000 1.101 787 F CA 0.948 58.991 58.000 0.072 0.000 1.436 787 F CB -0.580 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 0.156 0.000 2.511 788 E HA -0.026 4.326 4.350 0.003 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 0.693 116.430 115.700 0.061 0.000 2.587 789 S HA -0.036 4.436 4.470 0.003 0.000 0.260 789 S C 0.657 175.281 174.600 0.040 0.000 1.353 789 S CA -0.408 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 -0.517 114.053 114.554 0.025 0.000 2.765 790 T HA 0.119 4.471 4.350 0.003 0.000 0.275 790 T C -1.824 172.889 174.700 0.022 0.000 1.007 790 T CA -0.647 61.464 62.100 0.019 0.000 1.175 790 T CB -0.247 68.628 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 -0.269 4.083 4.350 0.003 0.000 0.195 792 E C 2.178 178.783 176.600 0.008 0.000 1.000 792 E CA 2.619 59.020 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 -1.179 118.627 119.800 0.011 0.000 2.389 793 Q HA 0.123 4.465 4.340 0.003 0.000 0.201 793 Q C 2.432 178.442 176.000 0.018 0.000 0.956 793 Q CA 1.762 57.573 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 -0.015 118.696 118.700 0.018 0.000 2.061 794 N HA -0.234 4.508 4.740 0.003 0.000 0.193 794 N C 2.064 177.592 175.510 0.031 0.000 1.030 794 N CA 2.623 55.686 53.050 0.022 0.000 0.856 794 N CB -1.449 37.051 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 4.350 4.527 0.003 0.000 0.301 795 F C 2.630 178.460 175.800 0.050 0.000 1.087 795 F CA 2.261 60.292 58.000 0.052 0.000 1.274 795 F CB -1.131 37.899 39.000 0.051 0.000 1.009 795 F HN 0.504 nan 8.300 nan 0.000 0.485 796 S N 0.424 116.146 115.700 0.038 0.000 2.345 796 S HA -0.187 4.285 4.470 0.003 0.000 0.220 796 S C 1.521 176.143 174.600 0.036 0.000 1.031 796 S CA 1.345 59.567 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 1.542 120.260 118.700 0.029 0.000 2.364 797 N HA -0.004 4.738 4.740 0.003 0.000 0.183 797 N C 1.067 176.594 175.510 0.027 0.000 1.022 797 N CA 0.733 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 1.270 121.861 120.570 0.034 0.000 3.564 798 I HA 0.014 4.186 4.170 0.003 0.000 0.294 798 I C 2.430 178.576 176.117 0.049 0.000 1.289 798 I CA 0.132 61.453 61.300 0.034 0.000 1.325 798 I CB -1.618 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 4.089 4.470 0.003 0.000 0.234 799 S C 2.037 176.678 174.600 0.068 0.000 1.063 799 S CA 2.858 61.099 58.200 0.067 0.000 1.108 799 S CB -1.045 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 0.012 120.443 120.400 0.051 0.000 2.103 800 D HA -0.089 4.553 4.640 0.003 0.000 0.190 800 D C 2.151 178.483 176.300 0.053 0.000 0.997 800 D CA 2.422 56.450 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 4.417 4.350 0.003 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 1.430 121.074 119.600 0.074 0.000 2.117 802 M HA 0.069 4.551 4.480 0.003 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 -0.177 120.134 120.200 0.185 0.000 2.015 803 E HA -0.150 4.202 4.350 0.003 0.000 0.191 803 E C 2.063 178.759 176.600 0.160 0.000 0.991 803 E CA 2.128 58.637 56.400 0.181 0.000 0.802 803 E CB -1.753 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 0.135 114.759 114.554 0.117 0.000 2.607 804 T HA -0.134 4.218 4.350 0.003 0.000 0.267 804 T C 1.704 176.475 174.700 0.118 0.000 1.049 804 T CA 1.751 63.912 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 1.331 121.232 119.950 -0.082 0.000 2.063 805 F HA -0.190 4.338 4.527 0.003 0.000 0.298 805 F C 1.852 177.524 175.800 -0.213 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 0.124 119.901 119.950 -0.289 0.000 2.259 806 F HA 0.004 4.533 4.527 0.003 0.000 0.298 806 F C 2.682 178.409 175.800 -0.122 0.000 1.088 806 F CA 0.763 58.505 58.000 -0.430 0.000 1.358 806 F CB -1.111 37.745 39.000 -0.240 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 3.701 3.960 0.003 0.000 0.218 807 G HA3 -0.261 3.701 3.960 0.003 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 0.417 nan 8.290 nan 0.000 0.552 808 C N -0.328 119.011 119.300 0.066 0.000 2.466 808 C HA 0.140 4.602 4.460 0.003 0.000 0.278 808 C C 2.550 177.601 174.990 0.101 0.000 1.288 808 C CA 0.187 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 0.982 122.237 121.223 0.054 0.000 2.465 809 L HA -0.041 4.301 4.340 0.003 0.000 0.224 809 L C 2.282 179.375 176.870 0.370 0.000 1.145 809 L CA 1.660 56.575 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 -1.936 112.813 114.554 0.324 0.000 2.939 810 T HA -0.082 4.270 4.350 0.003 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 0.064 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 4.439 4.340 0.003 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 28.457 28.738 0.016 0.000 0.903 811 Q HN 0.484 nan 8.270 nan 0.000 0.433 812 I N 0.469 121.078 120.570 0.065 0.000 2.567 812 I HA -0.255 3.917 4.170 0.003 0.000 0.257 812 I C 1.980 178.153 176.117 0.094 0.000 1.184 812 I CA 0.866 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 0.791 121.419 120.570 0.096 0.000 2.162 813 I HA -0.256 3.915 4.170 0.003 0.000 0.238 813 I C 2.479 178.614 176.117 0.029 0.000 1.076 813 I CA 1.395 62.749 61.300 0.090 0.000 1.353 813 I CB -0.257 37.794 38.000 0.086 0.000 1.063 813 I HN 0.106 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 4.153 4.320 0.003 0.000 0.212 814 K C 1.183 177.776 176.600 -0.011 0.000 1.050 814 K CA 1.629 57.880 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 1.144 121.541 120.400 -0.005 0.000 2.087 815 K HA 0.357 4.679 4.320 0.003 0.000 0.255 815 K C 0.448 177.065 176.600 0.029 0.000 0.988 815 K CA -0.124 56.169 56.287 0.010 0.000 0.915 815 K CB -0.210 32.293 32.500 0.005 0.000 1.043 815 K HN 0.326 nan 8.250 nan 0.000 0.457 816 I N -0.290 120.301 120.570 0.035 0.000 6.214 816 I HA -0.230 3.942 4.170 0.003 0.000 0.126 816 I C -1.184 174.976 176.117 0.071 0.000 1.821 816 I CA 0.389 61.718 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 1.343 178.717 177.300 0.124 0.000 1.153 817 P CA 1.239 64.397 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 0.121 119.981 119.800 0.100 0.000 2.522 818 Q HA -0.092 4.250 4.340 0.003 0.000 0.216 818 Q C 1.873 177.921 176.000 0.080 0.000 0.986 818 Q CA 0.599 56.450 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 0.229 120.210 119.914 0.111 0.000 2.358 819 V HA -0.282 3.840 4.120 0.003 0.000 0.246 819 V C 2.687 178.902 176.094 0.202 0.000 1.047 819 V CA 1.693 64.076 62.300 0.139 0.000 1.035 819 V CB -0.853 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 0.295 121.652 121.223 0.224 0.000 2.261 820 L HA -0.169 4.173 4.340 0.003 0.000 0.216 820 L C 2.635 179.666 176.870 0.268 0.000 1.114 820 L CA 2.795 57.810 54.840 0.292 0.000 0.777 820 L CB -1.783 40.413 42.059 0.228 0.000 0.910 820 L HN 0.611 nan 8.230 nan 0.000 0.440 821 E N 1.075 121.335 120.200 0.100 0.000 2.153 821 E HA -0.080 4.272 4.350 0.003 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 28.103 29.700 -0.099 0.000 0.746 821 E HN 1.094 nan 8.360 nan 0.000 0.466 822 D N 0.170 120.644 120.400 0.123 0.000 2.380 822 D HA 0.388 5.030 4.640 0.003 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 0.098 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 0.625 120.958 120.400 -0.113 0.000 2.362 823 K HA -0.140 4.182 4.320 0.003 0.000 0.202 823 K C 2.307 178.959 176.600 0.088 0.000 1.045 823 K CA 2.085 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 0.410 114.996 114.554 0.053 0.000 2.652 824 T HA 0.075 4.427 4.350 0.003 0.000 0.267 824 T C 1.776 176.478 174.700 0.004 0.000 1.039 824 T CA 1.248 63.370 62.100 0.037 0.000 1.153 824 T CB -1.305 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 1.412 122.605 121.223 -0.051 0.000 2.653 825 L HA 0.550 4.892 4.340 0.003 0.000 0.288 825 L C 0.877 177.435 176.870 -0.520 0.000 1.243 825 L CA -0.175 54.493 54.840 -0.287 0.000 0.906 825 L CB -1.500 40.321 42.059 -0.395 0.000 1.154 825 L HN 0.544 nan 8.230 nan 0.000 0.498 826 A N 2.978 125.625 122.820 -0.288 0.000 2.506 826 A HA 0.571 4.893 4.320 0.003 0.000 0.320 826 A C 0.599 178.109 177.584 -0.125 0.000 1.424 826 A CA -0.347 51.605 52.037 -0.143 0.000 1.044 826 A CB -0.512 18.481 19.000 -0.012 0.000 1.140 826 A HN 0.931 nan 8.150 nan 0.000 0.538 827 Y N 1.075 121.484 120.300 0.182 0.000 2.243 827 Y HA -0.037 4.515 4.550 0.003 0.000 0.293 827 Y C 2.584 178.541 175.900 0.095 0.000 1.124 827 Y CA 1.439 59.627 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 0.495 121.034 120.400 0.232 0.000 2.172 828 D HA -0.217 4.425 4.640 0.003 0.000 0.196 828 D C 2.297 178.663 176.300 0.110 0.000 0.999 828 D CA 1.900 55.979 54.000 0.131 0.000 0.856 828 D CB -0.741 40.094 40.800 0.057 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 4.449 4.340 0.003 0.000 0.231 829 R C 2.827 179.371 176.300 0.406 0.000 1.136 829 R CA 1.033 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 0.030 121.512 121.223 0.432 0.000 1.963 830 L HA -0.251 4.091 4.340 0.003 0.000 0.220 830 L C 2.559 179.739 176.870 0.516 0.000 1.076 830 L CA 2.053 57.208 54.840 0.526 0.000 0.772 830 L CB -0.967 41.306 42.059 0.356 0.000 0.892 830 L HN 0.153 nan 8.230 nan 0.000 0.435 831 V N -0.706 119.402 119.914 0.322 0.000 2.392 831 V HA -0.328 3.794 4.120 0.003 0.000 0.249 831 V C 2.251 178.502 176.094 0.262 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 0.543 120.579 119.950 0.144 0.000 2.043 832 F HA -0.289 4.240 4.527 0.003 0.000 0.297 832 F C 2.240 178.044 175.800 0.006 0.000 1.118 832 F CA 2.147 60.152 58.000 0.009 0.000 1.202 832 F CB -0.572 38.373 39.000 -0.090 0.000 0.965 832 F HN 0.228 nan 8.300 nan 0.000 0.482 833 Y N -0.505 119.975 120.300 0.299 0.000 2.286 833 Y HA 0.090 4.642 4.550 0.003 0.000 0.293 833 Y C 2.488 178.547 175.900 0.266 0.000 1.124 833 Y CA 0.699 58.963 58.100 0.274 0.000 1.178 833 Y CB -1.529 37.181 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 4.054 4.320 0.003 0.000 0.219 834 A C 2.042 179.531 177.584 -0.158 0.000 1.176 834 A CA 1.888 53.759 52.037 -0.276 0.000 0.631 834 A CB -0.667 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 4.310 4.340 0.003 0.000 0.204 835 Q C 2.275 178.251 176.000 -0.040 0.000 0.962 835 Q CA 0.805 56.576 55.803 -0.054 0.000 0.879 835 Q CB -0.074 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 0.315 120.794 120.500 -0.034 0.000 2.057 836 R HA -0.067 4.275 4.340 0.003 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 3.616 3.960 0.003 0.000 0.220 837 G HA3 -0.346 3.616 3.960 0.003 0.000 0.220 837 G C 1.529 176.467 174.900 0.063 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 -0.054 4.428 4.480 0.003 0.000 0.259 838 M C 1.894 178.289 176.300 0.159 0.000 1.068 838 M CA 1.844 57.169 55.300 0.042 0.000 1.100 838 M CB -1.161 31.462 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 4.818 4.350 0.003 0.000 0.250 839 T C 0.685 175.426 174.700 0.069 0.000 1.082 839 T CA 0.091 62.246 62.100 0.091 0.000 0.968 839 T CB -1.392 67.500 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 5.316 4.340 0.003 0.000 0.238 840 L C -0.984 175.926 176.870 0.067 0.000 1.168 840 L CA -1.109 53.773 54.840 0.071 0.000 0.817 840 L CB -1.144 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 0.150 177.481 177.300 0.053 0.000 1.327 841 P CA 1.080 64.211 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 -0.771 119.464 120.200 0.060 0.000 2.313 842 E HA 0.597 4.949 4.350 0.003 0.000 0.276 842 E C 1.522 178.158 176.600 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 0.629 116.361 115.700 0.053 0.000 2.423 843 S HA 0.151 4.623 4.470 0.003 0.000 0.231 843 S C 1.921 176.555 174.600 0.056 0.000 1.014 843 S CA 1.916 60.149 58.200 0.055 0.000 0.965 843 S CB 0.173 63.402 63.200 0.047 0.000 0.785 843 S HN 1.025 nan 8.310 nan 0.000 0.495 844 G N -0.636 108.194 108.800 0.051 0.000 2.692 844 G HA2 0.430 4.392 3.960 0.003 0.000 0.201 844 G HA3 0.430 4.392 3.960 0.003 0.000 0.201 844 G C 1.398 176.322 174.900 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 1.119 123.972 122.820 0.055 0.000 2.139 845 A HA 0.008 4.330 4.320 0.003 0.000 0.221 845 A C 2.157 179.773 177.584 0.053 0.000 1.159 845 A CA 1.002 53.082 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 0.017 0.000 2.493 846 I HA -0.233 3.939 4.170 0.003 0.000 0.254 846 I C 2.624 178.649 176.117 -0.153 0.000 1.160 846 I CA 1.442 62.709 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 1.730 122.172 120.500 -0.095 0.000 2.092 847 R HA -0.150 4.191 4.340 0.003 0.000 0.231 847 R C 1.626 177.897 176.300 -0.048 0.000 1.119 847 R CA 1.824 57.863 56.100 -0.101 0.000 0.970 847 R CB -0.553 29.726 30.300 -0.035 0.000 0.864 847 R HN 0.431 nan 8.270 nan 0.000 0.440 848 N N 0.304 119.012 118.700 0.014 0.000 2.058 848 N HA -0.136 4.606 4.740 0.003 0.000 0.191 848 N C 1.814 177.346 175.510 0.037 0.000 1.037 848 N CA 1.919 55.021 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 1.179 116.818 115.700 -0.102 0.000 2.353 849 S HA -0.139 4.333 4.470 0.003 0.000 0.222 849 S C 2.051 176.522 174.600 -0.215 0.000 1.035 849 S CA 0.974 58.920 58.200 -0.423 0.000 1.025 849 S CB -0.421 62.558 63.200 -0.367 0.000 0.902 849 S HN 0.245 nan 8.310 nan 0.000 0.440 850 I N 1.824 122.280 120.570 -0.190 0.000 2.099 850 I HA -0.298 3.874 4.170 0.003 0.000 0.239 850 I C 3.352 179.423 176.117 -0.076 0.000 1.066 850 I CA 1.872 63.063 61.300 -0.180 0.000 1.324 850 I CB -1.112 36.691 38.000 -0.327 0.000 1.037 850 I HN 0.438 nan 8.210 nan 0.000 0.401 851 Q N 0.595 120.381 119.800 -0.024 0.000 2.112 851 Q HA -0.318 4.024 4.340 0.003 0.000 0.206 851 Q C 2.010 178.094 176.000 0.140 0.000 0.987 851 Q CA 2.349 58.190 55.803 0.062 0.000 0.858 851 Q CB -1.673 27.136 28.738 0.118 0.000 0.905 851 Q HN 0.610 nan 8.270 nan 0.000 0.420 852 F N 0.671 120.630 119.950 0.014 0.000 2.046 852 F HA -0.122 4.407 4.527 0.003 0.000 0.297 852 F C 2.145 177.986 175.800 0.069 0.000 1.123 852 F CA 1.988 60.017 58.000 0.049 0.000 1.199 852 F CB -0.397 38.564 39.000 -0.065 0.000 0.972 852 F HN 0.252 nan 8.300 nan 0.000 0.474 853 L N -0.207 120.966 121.223 -0.084 0.000 2.043 853 L HA -0.285 4.057 4.340 0.003 0.000 0.212 853 L C 2.333 179.162 176.870 -0.069 0.000 1.075 853 L CA 1.988 56.758 54.840 -0.117 0.000 0.752 853 L CB -1.301 40.744 42.059 -0.022 0.000 0.891 853 L HN 0.223 nan 8.230 nan 0.000 0.432 854 T N -2.317 112.192 114.554 -0.075 0.000 2.759 854 T HA -0.210 4.141 4.350 0.003 0.000 0.269 854 T C 1.709 176.310 174.700 -0.164 0.000 1.042 854 T CA 1.228 63.261 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 0.361 nan 8.240 nan 0.000 0.455 855 H N -0.909 118.114 119.070 -0.077 0.000 2.551 855 H HA 0.224 4.782 4.556 0.003 0.000 0.266 855 H C 1.739 177.016 175.328 -0.086 0.000 0.964 855 H CA 0.199 56.203 56.048 -0.074 0.000 1.180 855 H CB -0.068 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 0.913 120.733 119.950 -0.217 0.000 2.147 856 F HA -0.104 4.425 4.527 0.003 0.000 0.291 856 F C 2.172 177.918 175.800 -0.092 0.000 1.093 856 F CA 0.619 58.480 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 1.195 121.152 119.914 0.072 0.000 2.439 857 V HA -0.381 3.741 4.120 0.003 0.000 0.253 857 V C 2.439 178.552 176.094 0.032 0.000 1.074 857 V CA 1.776 64.120 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 0.018 119.604 119.600 -0.024 0.000 2.066 858 M HA -0.186 4.296 4.480 0.003 0.000 0.259 858 M C 2.629 178.870 176.300 -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 0.547 nan 8.290 nan 0.000 0.411 859 Q N -0.507 119.216 119.800 -0.129 0.000 2.172 859 Q HA -0.061 4.281 4.340 0.003 0.000 0.200 859 Q C 2.235 178.065 176.000 -0.284 0.000 0.964 859 Q CA 1.930 57.621 55.803 -0.187 0.000 0.855 859 Q CB -1.305 27.362 28.738 -0.117 0.000 0.918 859 Q HN 0.558 nan 8.270 nan 0.000 0.444 860 S N -0.373 115.105 115.700 -0.371 0.000 2.400 860 S HA -0.147 4.325 4.470 0.003 0.000 0.232 860 S C 2.337 176.862 174.600 -0.125 0.000 1.025 860 S CA 1.612 59.586 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 4.473 4.340 0.003 0.000 0.202 861 R C 1.548 177.718 176.300 -0.215 0.000 1.029 861 R CA 1.593 57.564 56.100 -0.215 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 0.025 118.564 118.700 -0.269 0.000 2.220 862 N HA 0.113 4.855 4.740 0.003 0.000 0.195 862 N C -0.029 175.226 175.510 -0.425 0.000 1.123 862 N CA -0.058 52.772 53.050 -0.366 0.000 0.874 862 N CB 0.336 38.534 38.487 -0.482 0.000 0.995 862 N HN 0.584 nan 8.380 nan 0.000 0.498 863 H N -0.835 118.192 119.070 -0.073 0.000 3.013 863 H HA 0.624 5.182 4.556 0.003 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 1.482 31.226 29.762 -0.030 0.000 1.598 863 H HN 0.235 nan 8.280 nan 0.000 0.518 864 A N 2.714 125.614 122.820 0.133 0.000 1.903 864 A HA -0.334 3.988 4.320 0.003 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 -0.114 118.981 119.070 0.043 0.000 2.255 865 H HA -0.193 4.365 4.556 0.003 0.000 0.290 865 H C 1.866 177.183 175.328 -0.018 0.000 1.087 865 H CA 3.476 59.539 56.048 0.025 0.000 1.213 865 H CB -0.786 28.983 29.762 0.011 0.000 1.349 865 H HN 0.329 nan 8.280 nan 0.000 0.487 866 V N -0.228 119.326 119.914 -0.601 0.000 2.453 866 V HA -0.169 3.953 4.120 0.003 0.000 0.247 866 V C 2.519 178.404 176.094 -0.350 0.000 1.048 866 V CA 2.613 64.466 62.300 -0.746 0.000 1.049 866 V CB -1.098 30.251 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 4.165 4.350 0.003 0.000 0.268 867 T C 2.148 176.862 174.700 0.023 0.000 1.038 867 T CA 2.614 64.711 62.100 -0.005 0.000 1.145 867 T CB -0.516 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 1.215 121.425 120.200 0.015 0.000 2.035 868 E HA -0.205 4.147 4.350 0.003 0.000 0.204 868 E C 2.439 179.072 176.600 0.056 0.000 1.025 868 E CA 1.968 58.398 56.400 0.050 0.000 0.835 868 E CB -1.476 28.263 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 3.800 4.120 0.003 0.000 0.253 869 V C 2.674 178.848 176.094 0.135 0.000 1.067 869 V CA 2.155 64.543 62.300 0.146 0.000 1.047 869 V CB -0.877 31.114 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 3.842 4.120 0.003 0.000 0.248 870 V C 2.323 178.364 176.094 -0.089 0.000 1.053 870 V CA 2.314 64.637 62.300 0.039 0.000 1.027 870 V CB -0.575 31.169 31.823 -0.132 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 4.116 4.340 0.003 0.000 0.212 871 L C 2.729 179.544 176.870 -0.091 0.000 1.073 871 L CA 1.890 56.750 54.840 0.032 0.000 0.753 871 L CB -0.969 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 -0.554 122.227 122.820 -0.065 0.000 1.877 872 A HA -0.177 4.145 4.320 0.003 0.000 0.216 872 A C 2.295 179.766 177.584 -0.188 0.000 1.186 872 A CA 2.270 54.249 52.037 -0.095 0.000 0.620 872 A CB -0.966 18.021 19.000 -0.023 0.000 0.822 872 A HN 0.393 nan 8.150 nan 0.000 0.443 873 T N 0.143 114.605 114.554 -0.154 0.000 3.113 873 T HA 0.141 4.493 4.350 0.003 0.000 0.263 873 T C 1.713 176.198 174.700 -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 68.398 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 3.624 3.960 0.003 0.000 0.215 874 G HA3 -0.338 3.624 3.960 0.003 0.000 0.215 874 G C 1.649 175.766 174.900 -1.305 0.000 1.327 874 G CA 1.602 45.821 45.100 -1.469 0.000 0.802 874 G HN 0.573 nan 8.290 nan 0.000 0.658 875 E N -0.447 118.821 120.200 -1.554 0.000 2.265 875 E HA -0.118 4.234 4.350 0.003 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 0.071 119.674 119.800 -0.330 0.000 2.050 876 Q HA -0.096 4.246 4.340 0.003 0.000 0.202 876 Q C 2.379 178.306 176.000 -0.121 0.000 0.980 876 Q CA 2.442 58.136 55.803 -0.180 0.000 0.840 876 Q CB -0.722 27.923 28.738 -0.154 0.000 0.898 876 Q HN 0.539 nan 8.270 nan 0.000 0.424 877 T N 0.545 115.025 114.554 -0.123 0.000 2.588 877 T HA -0.134 4.218 4.350 0.003 0.000 0.261 877 T C 1.687 176.387 174.700 0.001 0.000 1.069 877 T CA 1.522 63.594 62.100 -0.047 0.000 1.172 877 T CB -0.507 68.343 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 0.022 0.000 2.197 878 L HA -0.190 4.152 4.340 0.003 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 -1.009 41.138 42.059 0.146 0.000 0.897 878 L HN 0.560 nan 8.230 nan 0.000 0.436 879 Y N -1.141 119.158 120.300 -0.002 0.000 2.153 879 Y HA -0.238 4.314 4.550 0.003 0.000 0.289 879 Y C 2.810 178.703 175.900 -0.011 0.000 1.127 879 Y CA 2.034 60.126 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 0.251 114.798 114.554 -0.011 0.000 2.737 880 T HA -0.137 4.215 4.350 0.003 0.000 0.269 880 T C 2.398 177.129 174.700 0.051 0.000 1.040 880 T CA 1.858 63.962 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 1.851 124.724 122.820 0.087 0.000 1.858 881 A HA -0.057 4.265 4.320 0.003 0.000 0.216 881 A C 2.284 179.832 177.584 -0.059 0.000 1.190 881 A CA 1.468 53.589 52.037 0.139 0.000 0.617 881 A CB -0.559 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 -1.094 118.487 119.600 -0.032 0.000 2.279 882 M HA -0.052 4.430 4.480 0.003 0.000 0.264 882 M C 2.188 178.432 176.300 -0.093 0.000 1.062 882 M CA 1.219 56.480 55.300 -0.065 0.000 1.099 882 M CB -1.273 31.315 32.600 -0.021 0.000 1.394 882 M HN 0.472 nan 8.290 nan 0.000 0.426 883 M N -0.737 118.817 119.600 -0.077 0.000 2.077 883 M HA -0.225 4.257 4.480 0.003 0.000 0.261 883 M C 2.357 178.588 176.300 -0.114 0.000 1.070 883 M CA 1.557 56.813 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 0.315 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 4.365 4.460 0.003 0.000 0.277 884 C C 2.609 177.377 174.990 -0.369 0.000 1.249 884 C CA 0.479 59.355 59.018 -0.237 0.000 1.725 884 C CB -0.935 26.653 27.740 -0.253 0.000 2.028 884 C HN 0.389 nan 8.230 nan 0.000 0.477 885 V N 0.826 120.431 119.914 -0.515 0.000 2.794 885 V HA -0.076 4.045 4.120 0.003 0.000 0.260 885 V C 2.095 178.064 176.094 -0.208 0.000 1.103 885 V CA 2.313 64.359 62.300 -0.424 0.000 1.125 885 V CB -0.905 30.710 31.823 -0.347 0.000 0.702 885 V HN 0.776 nan 8.190 nan 0.000 0.494 886 G N -2.645 106.062 108.800 -0.155 0.000 2.799 886 G HA2 0.035 3.997 3.960 0.003 0.000 0.201 886 G HA3 0.035 3.997 3.960 0.003 0.000 0.201 886 G C 0.880 175.739 174.900 -0.068 0.000 1.142 886 G CA 0.835 45.880 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 5.117 4.550 0.003 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 0.674 121.865 121.223 -0.054 0.000 2.730 888 L HA 0.515 4.857 4.340 0.003 0.000 0.236 888 L C 0.631 177.492 176.870 -0.016 0.000 1.061 888 L CA 1.129 55.952 54.840 -0.028 0.000 0.898 888 L CB 0.474 42.521 42.059 -0.020 0.000 1.270 888 L HN 0.290 nan 8.230 nan 0.000 0.500 889 T N 3.710 118.237 114.554 -0.046 0.000 2.851 889 T HA 0.270 4.622 4.350 0.003 0.000 0.298 889 T C -2.475 172.228 174.700 0.004 0.000 0.977 889 T CA -1.111 60.987 62.100 -0.003 0.000 1.126 889 T CB 0.919 69.740 68.868 -0.077 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 -0.009 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 1.775 122.286 120.500 0.018 0.000 2.133 891 R HA -0.200 4.142 4.340 0.003 0.000 0.247 891 R C 2.477 178.793 176.300 0.026 0.000 1.151 891 R CA 2.305 58.413 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 1.766 117.490 115.700 0.040 0.000 2.395 892 S HA -0.138 4.334 4.470 0.003 0.000 0.225 892 S C 1.815 176.462 174.600 0.078 0.000 1.027 892 S CA 0.698 58.928 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 0.959 120.822 119.800 0.106 0.000 2.291 893 Q HA 0.295 4.637 4.340 0.003 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 0.838 120.853 119.914 0.169 0.000 2.379 894 V HA -0.217 3.905 4.120 0.003 0.000 0.245 894 V C 2.043 178.292 176.094 0.257 0.000 1.044 894 V CA 2.027 64.398 62.300 0.118 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 0.744 121.250 120.400 0.178 0.000 2.182 895 D HA -0.195 4.447 4.640 0.003 0.000 0.201 895 D C 2.025 178.432 176.300 0.179 0.000 0.986 895 D CA 1.137 55.226 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 -0.131 4.191 4.320 0.003 0.000 0.197 896 K C 1.447 178.004 176.600 -0.071 0.000 1.043 896 K CA 0.478 56.787 56.287 0.037 0.000 0.944 896 K CB -0.126 32.343 32.500 -0.052 0.000 0.770 896 K HN 0.260 nan 8.250 nan 0.000 0.480 897 F N 0.112 120.072 119.950 0.015 0.000 2.656 897 F HA 0.170 4.699 4.527 0.003 0.000 0.291 897 F C 2.220 178.030 175.800 0.016 0.000 1.122 897 F CA -0.006 58.002 58.000 0.014 0.000 1.427 897 F CB -0.262 38.746 39.000 0.014 0.000 1.125 897 F HN -0.081 nan 8.300 nan 0.000 0.583 898 A N -0.247 122.689 122.820 0.192 0.000 2.234 898 A HA -0.161 4.161 4.320 0.003 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 0.229 120.653 120.400 0.039 0.000 2.120 899 D HA -0.104 4.538 4.640 0.003 0.000 0.202 899 D C 2.069 178.363 176.300 -0.009 0.000 0.972 899 D CA 1.693 55.689 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 -1.094 119.479 120.570 0.005 0.000 2.286 900 I HA -0.147 4.025 4.170 0.003 0.000 0.245 900 I C 2.334 178.487 176.117 0.061 0.000 1.104 900 I CA 0.889 62.201 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 1.477 122.750 121.223 0.084 0.000 2.191 901 L HA -0.193 4.149 4.340 0.003 0.000 0.212 901 L C 3.223 180.135 176.870 0.070 0.000 1.103 901 L CA 1.459 56.354 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 4.539 4.340 0.003 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 -1.758 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 -1.312 121.518 122.820 0.018 0.000 2.125 903 A HA -0.093 4.229 4.320 0.003 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 -1.116 118.549 119.600 0.109 0.000 2.510 904 M HA 0.021 4.503 4.480 0.003 0.000 0.256 904 M C 1.634 178.016 176.300 0.137 0.000 1.132 904 M CA 0.596 56.004 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 1.137 119.878 118.700 0.067 0.000 2.395 905 N HA -0.032 4.710 4.740 0.003 0.000 0.175 905 N C 1.822 177.329 175.510 -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 0.486 120.983 120.500 -0.005 0.000 2.119 906 R HA 0.101 4.443 4.340 0.003 0.000 0.222 906 R C 2.229 178.472 176.300 -0.094 0.000 1.088 906 R CA 1.808 57.882 56.100 -0.042 0.000 0.984 906 R CB -1.332 28.947 30.300 -0.036 0.000 0.884 906 R HN 0.469 nan 8.270 nan 0.000 0.447 907 K N -1.176 119.166 120.400 -0.098 0.000 2.365 907 K HA 0.299 4.621 4.320 0.003 0.000 0.195 907 K C 0.341 176.564 176.600 -0.628 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 -0.459 119.795 120.300 -0.076 0.000 2.555 908 Y HA 0.529 5.081 4.550 0.003 0.000 0.317 908 Y C 1.611 177.394 175.900 -0.194 0.000 0.928 908 Y CA -1.074 56.946 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 0.136 nan 8.280 nan 0.000 0.627 909 A N 0.928 123.710 122.820 -0.064 0.000 1.873 909 A HA -0.199 4.123 4.320 0.003 0.000 0.218 909 A C 2.419 179.920 177.584 -0.138 0.000 1.193 909 A CA 2.473 54.459 52.037 -0.084 0.000 0.629 909 A CB -0.886 18.068 19.000 -0.077 0.000 0.826 909 A HN 0.608 nan 8.150 nan 0.000 0.447 910 A N -0.762 121.972 122.820 -0.143 0.000 1.873 910 A HA -0.156 4.166 4.320 0.003 0.000 0.218 910 A C 2.033 179.440 177.584 -0.295 0.000 1.193 910 A CA 2.304 54.240 52.037 -0.168 0.000 0.629 910 A CB -0.994 17.931 19.000 -0.126 0.000 0.826 910 A HN 0.505 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 4.114 4.350 0.003 0.000 0.193 911 E C 2.131 177.950 176.600 -1.303 0.000 0.994 911 E CA 1.341 57.171 56.400 -0.950 0.000 0.800 911 E CB -0.673 28.339 29.700 -1.147 0.000 0.752 911 E HN 0.732 nan 8.360 nan 0.000 0.447 912 M N 0.172 119.273 119.600 -0.833 0.000 2.202 912 M HA -0.157 4.325 4.480 0.003 0.000 0.262 912 M C 2.318 178.494 176.300 -0.208 0.000 1.063 912 M CA 1.900 56.971 55.300 -0.382 0.000 1.097 912 M CB -0.281 32.255 32.600 -0.108 0.000 1.382 912 M HN 0.323 nan 8.290 nan 0.000 0.413 913 A N -0.667 122.021 122.820 -0.220 0.000 2.019 913 A HA -0.078 4.244 4.320 0.003 0.000 0.219 913 A C 1.912 179.431 177.584 -0.108 0.000 1.164 913 A CA 1.715 53.677 52.037 -0.126 0.000 0.644 913 A CB -0.666 18.264 19.000 -0.116 0.000 0.805 913 A HN 0.444 nan 8.150 nan 0.000 0.449 914 V N -2.253 117.548 119.914 -0.189 0.000 2.426 914 V HA -0.122 4.000 4.120 0.003 0.000 0.242 914 V C 2.213 178.343 176.094 0.060 0.000 1.036 914 V CA 0.879 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 -0.687 120.617 121.300 0.005 0.000 2.387 915 W HA -0.069 4.593 4.660 0.003 0.000 0.272 915 W C 2.318 178.837 176.519 -0.001 0.000 1.224 915 W CA 0.648 57.993 57.345 0.001 0.000 1.210 915 W CB -1.004 28.455 29.460 -0.002 0.000 1.125 915 W HN 0.256 nan 8.180 nan 0.000 0.572 916 M N 0.438 120.146 119.600 0.180 0.000 2.134 916 M HA -0.127 4.355 4.480 0.003 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 -0.296 120.132 120.400 0.046 0.000 2.063 917 K HA -0.055 4.267 4.320 0.003 0.000 0.208 917 K C 2.340 178.965 176.600 0.042 0.000 1.048 917 K CA 1.460 57.765 56.287 0.030 0.000 0.928 917 K CB -1.080 31.430 32.500 0.015 0.000 0.713 917 K HN 0.385 nan 8.250 nan 0.000 0.442 918 S N 0.461 116.203 115.700 0.069 0.000 2.382 918 S HA 0.058 4.530 4.470 0.003 0.000 0.228 918 S C 1.721 176.354 174.600 0.054 0.000 1.027 918 S CA 1.174 59.416 58.200 0.069 0.000 0.991 918 S CB -0.240 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 -0.368 120.892 121.223 0.062 0.000 2.416 919 L HA 0.150 4.492 4.340 0.003 0.000 0.216 919 L C 2.163 179.048 176.870 0.025 0.000 1.098 919 L CA 0.381 55.245 54.840 0.040 0.000 0.840 919 L CB -0.204 41.883 42.059 0.047 0.000 0.981 919 L HN 0.300 nan 8.230 nan 0.000 0.462 920 M N -1.285 118.331 119.600 0.027 0.000 2.751 920 M HA 0.054 4.536 4.480 0.003 0.000 0.252 920 M C 2.412 178.717 176.300 0.009 0.000 1.264 920 M CA 1.105 56.413 55.300 0.014 0.000 1.237 920 M CB -0.621 31.986 32.600 0.013 0.000 1.242 920 M HN 0.005 nan 8.290 nan 0.000 0.525 921 S N -0.141 115.566 115.700 0.011 0.000 2.395 921 S HA -0.005 4.467 4.470 0.003 0.000 0.225 921 S C 1.625 176.230 174.600 0.007 0.000 1.027 921 S CA 1.782 59.986 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 2.395 116.957 114.554 0.013 0.000 3.186 922 T HA 0.370 4.722 4.350 0.003 0.000 0.257 922 T C -1.842 172.865 174.700 0.011 0.000 1.029 922 T CA -0.896 61.211 62.100 0.012 0.000 0.916 922 T CB -0.135 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 -0.174 118.526 118.700 -0.001 0.000 2.216 924 N HA 0.061 4.803 4.740 0.003 0.000 0.183 924 N C 0.660 176.168 175.510 -0.003 0.000 1.017 924 N CA 1.561 54.610 53.050 -0.002 0.000 0.861 924 N CB -0.346 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 5.185 4.527 0.003 0.000 0.390 925 F C -2.275 173.519 175.800 -0.010 0.000 1.235 925 F CA -1.502 56.494 58.000 -0.007 0.000 1.236 925 F CB 0.934 39.930 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 0.484 32.178 31.700 -0.011 0.000 0.779 927 T N -4.454 110.092 114.554 -0.014 0.000 3.003 927 T HA 0.332 4.683 4.350 0.003 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 1.377 121.173 119.800 -0.007 0.000 2.079 928 Q HA 0.015 4.356 4.340 0.003 0.000 0.200 928 Q C 2.060 178.057 176.000 -0.005 0.000 0.974 928 Q CA 2.108 57.909 55.803 -0.005 0.000 0.840 928 Q CB -0.896 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 0.223 121.443 121.223 -0.005 0.000 2.023 929 L HA 0.146 4.488 4.340 0.003 0.000 0.205 929 L C 1.828 178.693 176.870 -0.007 0.000 1.073 929 L CA 0.483 55.319 54.840 -0.006 0.000 0.745 929 L CB -0.820 41.236 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 4.017 4.170 0.003 0.000 0.308 930 I C 0.039 176.151 176.117 -0.008 0.000 1.224 930 I CA 0.391 61.686 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 6.483 121.032 114.554 -0.008 0.000 2.856 931 T HA 0.097 4.449 4.350 0.003 0.000 0.292 931 T C 0.628 175.324 174.700 -0.007 0.000 0.980 931 T CA -0.331 61.764 62.100 -0.008 0.000 1.091 931 T CB 1.206 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 2.316 122.712 120.400 -0.007 0.000 2.149 932 D HA -0.149 4.493 4.640 0.003 0.000 0.194 932 D C 2.140 178.436 176.300 -0.007 0.000 1.001 932 D CA 1.648 55.645 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 0.772 123.587 122.820 -0.007 0.000 1.845 933 A HA -0.205 4.117 4.320 0.003 0.000 0.215 933 A C 1.790 179.369 177.584 -0.009 0.000 1.195 933 A CA 2.039 54.071 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 -1.135 119.261 120.400 -0.007 0.000 2.264 934 D HA -0.047 4.595 4.640 0.003 0.000 0.208 934 D C 1.985 178.282 176.300 -0.006 0.000 0.966 934 D CA 1.289 55.286 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 -0.232 120.164 120.400 -0.007 0.000 2.062 935 K HA -0.051 4.271 4.320 0.003 0.000 0.205 935 K C 2.406 179.000 176.600 -0.010 0.000 1.051 935 K CA 1.721 58.004 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 0.353 114.900 114.554 -0.011 0.000 2.821 936 T HA -0.085 4.267 4.350 0.003 0.000 0.267 936 T C 2.100 176.787 174.700 -0.022 0.000 1.046 936 T CA 1.495 63.587 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 4.401 4.340 0.003 0.000 0.228 937 R C 2.763 179.030 176.300 -0.054 0.000 1.110 937 R CA 1.559 57.638 56.100 -0.035 0.000 0.973 937 R CB -0.987 29.299 30.300 -0.024 0.000 0.869 937 R HN 0.644 nan 8.270 nan 0.000 0.440 938 Y N 1.167 121.444 120.300 -0.038 0.000 2.242 938 Y HA -0.149 4.403 4.550 0.003 0.000 0.291 938 Y C 2.599 178.466 175.900 -0.055 0.000 1.137 938 Y CA 1.777 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 -0.014 114.519 114.554 -0.035 0.000 2.881 939 T HA 0.034 4.386 4.350 0.003 0.000 0.270 939 T C 2.368 177.042 174.700 -0.044 0.000 1.068 939 T CA 1.312 63.396 62.100 -0.026 0.000 1.131 939 T CB -0.593 68.267 68.868 -0.012 0.000 0.871 939 T HN 0.718 nan 8.240 nan 0.000 0.479 940 A N 1.208 123.992 122.820 -0.061 0.000 1.874 940 A HA 0.311 4.633 4.320 0.003 0.000 0.214 940 A C 2.736 180.255 177.584 -0.109 0.000 1.189 940 A CA 1.433 53.428 52.037 -0.070 0.000 0.615 940 A CB -1.252 17.710 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 4.320 4.340 0.003 0.000 0.208 941 L C 2.592 179.316 176.870 -0.243 0.000 1.073 941 L CA 2.403 57.050 54.840 -0.322 0.000 0.745 941 L CB -1.782 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 -0.485 119.991 120.570 -0.157 0.000 2.248 942 I HA -0.319 3.853 4.170 0.003 0.000 0.248 942 I C 2.399 178.501 176.117 -0.025 0.000 1.107 942 I CA 1.906 63.178 61.300 -0.047 0.000 1.373 942 I CB -0.293 37.704 38.000 -0.004 0.000 1.055 942 I HN 0.507 nan 8.210 nan 0.000 0.418 943 I N 0.625 121.171 120.570 -0.040 0.000 3.059 943 I HA -0.110 4.062 4.170 0.003 0.000 0.270 943 I C 2.745 178.839 176.117 -0.037 0.000 1.238 943 I CA 0.686 61.966 61.300 -0.032 0.000 1.478 943 I CB -0.495 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 4.445 4.320 0.003 0.000 0.197 944 K C 0.899 177.487 176.600 -0.021 0.000 1.043 944 K CA 0.668 56.930 56.287 -0.041 0.000 0.997 944 K CB -0.085 32.382 32.500 -0.055 0.000 0.807 944 K HN 0.113 nan 8.250 nan 0.000 0.497 945 E N 1.011 121.207 120.200 -0.007 0.000 2.046 945 E HA 0.084 4.436 4.350 0.003 0.000 0.279 945 E C 0.109 176.724 176.600 0.024 0.000 0.989 945 E CA -0.144 56.272 56.400 0.027 0.000 0.798 945 E CB 1.512 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 4.569 4.320 0.003 0.000 0.204 946 K C 0.981 177.584 176.600 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 -0.938 118.982 119.914 0.010 0.000 3.643 947 V HA 0.450 4.572 4.120 0.003 0.000 0.280 947 V C 0.711 176.812 176.094 0.013 0.000 1.351 947 V CA 0.806 63.111 62.300 0.007 0.000 1.073 947 V CB -0.604 31.222 31.823 0.005 0.000 0.863 947 V HN 0.734 nan 8.190 nan 0.000 0.436 948 N N -0.397 118.316 118.700 0.023 0.000 2.295 948 N HA 0.622 5.364 4.740 0.003 0.000 0.293 948 N C 0.408 175.936 175.510 0.029 0.000 1.040 948 N CA 0.291 53.355 53.050 0.024 0.000 0.840 948 N CB 1.524 40.027 38.487 0.028 0.000 1.468 948 N HN 0.592 nan 8.380 nan 0.000 0.478 949 K N 0.101 120.513 120.400 0.020 0.000 2.308 949 K HA 0.189 4.511 4.320 0.003 0.000 0.197 949 K C 1.952 178.563 176.600 0.019 0.000 1.049 949 K CA 0.920 57.222 56.287 0.024 0.000 0.991 949 K CB -0.152 32.358 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 0.025 4.367 4.340 0.003 0.000 0.232 950 R C 2.193 178.466 176.300 -0.043 0.000 1.126 950 R CA 1.215 57.308 56.100 -0.012 0.000 0.963 950 R CB -0.382 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 4.118 4.340 0.003 0.000 0.213 951 L C 2.725 179.525 176.870 -0.116 0.000 1.072 951 L CA 2.158 56.919 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 -0.327 4.015 4.340 0.003 0.000 0.212 952 L C 2.382 179.290 176.870 0.063 0.000 1.073 952 L CA 2.710 57.627 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 0.556 nan 8.230 nan 0.000 0.432 953 Q N -0.470 119.342 119.800 0.020 0.000 2.181 953 Q HA -0.275 4.067 4.340 0.003 0.000 0.205 953 Q C 2.234 178.221 176.000 -0.021 0.000 0.980 953 Q CA 1.849 57.660 55.803 0.014 0.000 0.862 953 Q CB -0.170 28.574 28.738 0.010 0.000 0.905 953 Q HN 1.006 nan 8.270 nan 0.000 0.429 954 Q N -0.318 119.423 119.800 -0.099 0.000 2.089 954 Q HA -0.138 4.204 4.340 0.003 0.000 0.195 954 Q C 1.705 177.641 176.000 -0.107 0.000 0.963 954 Q CA 0.954 56.671 55.803 -0.144 0.000 0.834 954 Q CB -0.284 28.304 28.738 -0.249 0.000 0.906 954 Q HN 0.420 nan 8.270 nan 0.000 0.452 955 H N 0.906 119.981 119.070 0.007 0.000 2.353 955 H HA -0.061 4.497 4.556 0.003 0.000 0.300 955 H C 2.262 177.591 175.328 0.002 0.000 1.090 955 H CA 1.417 57.467 56.048 0.003 0.000 1.327 955 H CB -0.256 29.509 29.762 0.005 0.000 1.383 955 H HN 0.240 nan 8.280 nan 0.000 0.508 956 L N 0.815 122.113 121.223 0.126 0.000 1.989 956 L HA -0.242 4.100 4.340 0.003 0.000 0.211 956 L C 2.803 179.691 176.870 0.029 0.000 1.071 956 L CA 1.773 56.653 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 -0.861 114.851 115.700 0.020 0.000 2.351 957 S HA -0.256 4.216 4.470 0.003 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 62.443 63.200 0.000 0.000 0.928 957 S HN 0.466 nan 8.310 nan 0.000 0.433 958 E N 1.031 121.236 120.200 0.009 0.000 2.068 958 E HA -0.256 4.096 4.350 0.003 0.000 0.207 958 E C 2.148 178.754 176.600 0.009 0.000 1.032 958 E CA 1.758 58.165 56.400 0.010 0.000 0.839 958 E CB -0.347 29.368 29.700 0.025 0.000 0.758 958 E HN 0.574 nan 8.360 nan 0.000 0.457 959 M N 0.526 120.137 119.600 0.019 0.000 2.108 959 M HA -0.211 4.271 4.480 0.003 0.000 0.261 959 M C 2.352 178.647 176.300 -0.009 0.000 1.066 959 M CA 1.772 57.076 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 4.066 4.320 0.003 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 4.363 4.480 0.003 0.000 0.259 961 M C 2.205 178.498 176.300 -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 -0.167 120.226 120.400 -0.010 0.000 2.173 962 K HA -0.158 4.164 4.320 0.003 0.000 0.207 962 K C 2.106 178.699 176.600 -0.012 0.000 1.046 962 K CA 1.854 58.136 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 1.233 115.778 114.554 -0.015 0.000 2.639 963 T HA -0.098 4.254 4.350 0.003 0.000 0.261 963 T C 1.708 176.398 174.700 -0.017 0.000 1.053 963 T CA 1.163 63.252 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 4.576 4.340 0.003 0.000 0.224 964 R C 1.401 177.698 176.300 -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 29.707 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 3.962 3.960 0.003 0.000 0.244 965 G HA3 0.000 3.962 3.960 0.003 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