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 8gpb_1_A DATA FIRST_RESID 11 DATA SEQUENCE KQISVRGLAG VENVTELKKN FNRHLHFTLV KDRNVATPRD YYFALAHTVR DATA SEQUENCE DHLVGRWIRT QQHYYEKDPK RIYYLSLEFY MGRTLQNTMV NLALENACDE DATA SEQUENCE ATYQLGLDME ELEEIEEDAG LGNGGLGRLA ACFLDSMATL GLAAYGYGIR DATA SEQUENCE YEFGIFNQKI CGGWQMEEAD DWLRYGNPWE KARPEFTLPV HFYGRVEHTS DATA SEQUENCE QGAKWVDTQV VLAMPYDTPV PGYRNNVVNT MRLWSAKAPN DFNLKDFNVG DATA SEQUENCE GYIQAVLDRN LAENISRVLY PNDNFFEGKE LRLKQEYFVV AATLQDIIRR DATA SEQUENCE FKSSKFGCRD PVRTNFDAFP DKVAIQLNDT HPSLAIPELM RVLVDLERLD DATA SEQUENCE WDKAWEVTVK TCAYTNHTVI PEALERWPVH LLETLLPRHL QIIYEINQRF DATA SEQUENCE LNRVAAAFPG DVDRLRRMSL VEEGAVKRIN MAHLCIAGSH AVNGVARIHS DATA SEQUENCE EILKKTIFKD FYELEPHKFQ NKTNGITPRR WLVLCNPGLA EIIAERIGEE DATA SEQUENCE YISDLDQLRK LLSYVDDEAF IRDVAKVKQE NKLKFAAYLE REYKVHINPN DATA SEQUENCE SLFDVQVKRI HEYKRQLLNC LHVITLYNRI KKEPNKFVVP RTVMIGGKAA DATA SEQUENCE PGYHMAKMII KLITAIGDVV NHDPVVGDRL RVIFLENYRV SLAEKVIPAA DATA SEQUENCE DLSEQISTAG TEASGTGNMK FMLNGALTIG TMDGANVEMA EEAGEENFFI DATA SEQUENCE FGMRVEDVDR LDQRGYNAQE YYDRIPELRQ IIEQLSSGFF SPKQPDLFKD DATA SEQUENCE IVNMLMHHDR FKVFADYEEY VKCQERVSAL YKNPREWTRM VIRNIATSGK DATA SEQUENCE FSSDRTIAQY AREIWGVEPS RQRLPAPDEK IP 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 K HA 0.000 nan 4.320 nan 0.000 0.191 11 K C 0.000 176.580 176.600 -0.033 0.000 0.988 11 K CA 0.000 56.270 56.287 -0.028 0.000 0.838 11 K CB 0.000 32.483 32.500 -0.027 0.000 1.064 12 Q N 0.371 120.160 119.800 -0.019 0.000 2.242 12 Q HA -0.288 4.040 4.340 -0.019 0.000 0.398 12 Q C 0.381 176.370 176.000 -0.018 0.000 0.872 12 Q CA 2.839 58.633 55.803 -0.015 0.000 0.979 12 Q CB -1.558 27.170 28.738 -0.018 0.000 2.023 12 Q HN 0.713 nan 8.270 nan 0.000 0.895 13 I N -0.402 120.151 120.570 -0.029 0.000 3.218 13 I HA -0.264 3.895 4.170 -0.019 0.000 0.128 13 I C 0.759 176.869 176.117 -0.011 0.000 0.962 13 I CA 1.448 62.732 61.300 -0.027 0.000 2.760 13 I CB -2.728 35.249 38.000 -0.039 0.000 1.030 13 I HN 0.458 nan 8.210 nan 0.000 0.352 14 S N -0.004 115.694 115.700 -0.002 0.000 2.562 14 S HA 0.653 5.112 4.470 -0.019 0.000 0.256 14 S C 0.604 175.211 174.600 0.011 0.000 1.248 14 S CA -0.200 58.006 58.200 0.010 0.000 0.988 14 S CB 0.733 63.944 63.200 0.018 0.000 1.035 14 S HN 0.865 nan 8.310 nan 0.000 0.548 15 V N 1.239 121.167 119.914 0.022 0.000 2.222 15 V HA 0.390 4.499 4.120 -0.019 0.000 0.253 15 V C 0.834 176.940 176.094 0.021 0.000 1.210 15 V CA -0.668 61.643 62.300 0.019 0.000 1.079 15 V CB -0.727 31.111 31.823 0.025 0.000 1.265 15 V HN 0.720 nan 8.190 nan 0.000 0.494 16 R N 2.859 123.364 120.500 0.008 0.000 2.388 16 R HA 0.433 4.762 4.340 -0.019 0.000 0.247 16 R C 1.103 177.396 176.300 -0.010 0.000 0.931 16 R CA 0.533 56.633 56.100 0.001 0.000 1.082 16 R CB 0.429 30.725 30.300 -0.006 0.000 1.135 16 R HN 0.957 nan 8.270 nan 0.000 0.525 17 G N 1.004 109.798 108.800 -0.010 0.000 2.587 17 G HA2 -0.229 3.719 3.960 -0.019 0.000 0.212 17 G HA3 -0.229 3.719 3.960 -0.019 0.000 0.212 17 G C -1.012 173.877 174.900 -0.018 0.000 1.327 17 G CA -0.860 44.228 45.100 -0.020 0.000 0.898 17 G HN 0.098 nan 8.290 nan 0.000 0.551 18 L N 1.027 122.237 121.223 -0.021 0.000 2.325 18 L HA 0.681 5.010 4.340 -0.019 0.000 0.279 18 L C 1.166 178.025 176.870 -0.017 0.000 1.054 18 L CA 0.217 55.047 54.840 -0.017 0.000 0.804 18 L CB 1.324 43.375 42.059 -0.014 0.000 1.200 18 L HN 1.510 nan 8.230 nan 0.000 0.436 19 A N 3.748 126.560 122.820 -0.014 0.000 3.094 19 A HA 0.476 4.784 4.320 -0.019 0.000 0.288 19 A C 0.704 178.284 177.584 -0.006 0.000 1.519 19 A CA -0.306 51.724 52.037 -0.012 0.000 1.227 19 A CB -0.641 18.350 19.000 -0.014 0.000 1.175 19 A HN 0.827 nan 8.150 nan 0.000 0.568 20 G N 0.168 108.965 108.800 -0.005 0.000 2.334 20 G HA2 0.292 4.241 3.960 -0.019 0.000 0.261 20 G HA3 0.292 4.241 3.960 -0.019 0.000 0.261 20 G C 1.056 175.960 174.900 0.006 0.000 1.257 20 G CA 0.207 45.307 45.100 0.001 0.000 0.935 20 G HN 0.688 nan 8.290 nan 0.000 0.480 21 V N 2.474 122.392 119.914 0.007 0.000 2.317 21 V HA -0.201 3.907 4.120 -0.019 0.000 0.251 21 V C 2.539 178.642 176.094 0.015 0.000 1.065 21 V CA 2.672 64.978 62.300 0.010 0.000 1.049 21 V CB -0.148 31.680 31.823 0.009 0.000 0.651 21 V HN 0.834 nan 8.190 nan 0.000 0.450 22 E N -0.213 119.997 120.200 0.016 0.000 2.017 22 E HA -0.231 4.108 4.350 -0.019 0.000 0.193 22 E C 2.142 178.761 176.600 0.032 0.000 0.997 22 E CA 1.806 58.220 56.400 0.022 0.000 0.804 22 E CB -0.458 29.254 29.700 0.020 0.000 0.757 22 E HN 0.727 nan 8.360 nan 0.000 0.448 23 N N 0.114 118.834 118.700 0.033 0.000 2.309 23 N HA -0.117 4.612 4.740 -0.019 0.000 0.182 23 N C 1.890 177.423 175.510 0.039 0.000 1.018 23 N CA 0.484 53.562 53.050 0.047 0.000 0.876 23 N CB 0.301 38.810 38.487 0.036 0.000 0.972 23 N HN -0.054 nan 8.380 nan 0.000 0.434 24 V N 0.498 120.426 119.914 0.023 0.000 2.358 24 V HA -0.167 3.942 4.120 -0.019 0.000 0.246 24 V C 2.107 178.216 176.094 0.024 0.000 1.047 24 V CA 1.590 63.900 62.300 0.016 0.000 1.035 24 V CB -0.607 31.222 31.823 0.009 0.000 0.658 24 V HN 0.347 nan 8.190 nan 0.000 0.452 25 T N -0.615 113.956 114.554 0.029 0.000 2.821 25 T HA -0.175 4.164 4.350 -0.019 0.000 0.267 25 T C 1.888 176.619 174.700 0.052 0.000 1.046 25 T CA 1.424 63.544 62.100 0.033 0.000 1.139 25 T CB -0.169 68.716 68.868 0.027 0.000 0.871 25 T HN 0.538 nan 8.240 nan 0.000 0.454 26 E N 0.965 121.203 120.200 0.064 0.000 2.031 26 E HA -0.139 4.200 4.350 -0.019 0.000 0.193 26 E C 2.118 178.793 176.600 0.125 0.000 0.994 26 E CA 1.025 57.479 56.400 0.090 0.000 0.800 26 E CB -0.160 29.601 29.700 0.102 0.000 0.752 26 E HN 0.220 nan 8.360 nan 0.000 0.447 27 L N 1.682 122.979 121.223 0.123 0.000 1.971 27 L HA -0.217 4.111 4.340 -0.019 0.000 0.215 27 L C 2.494 179.451 176.870 0.145 0.000 1.072 27 L CA 1.907 56.830 54.840 0.138 0.000 0.758 27 L CB -1.183 40.915 42.059 0.064 0.000 0.889 27 L HN 0.128 nan 8.230 nan 0.000 0.433 28 K N -0.599 119.846 120.400 0.075 0.000 2.160 28 K HA -0.243 4.065 4.320 -0.019 0.000 0.206 28 K C 2.119 178.815 176.600 0.161 0.000 1.047 28 K CA 1.360 57.686 56.287 0.065 0.000 0.930 28 K CB -0.161 32.344 32.500 0.007 0.000 0.720 28 K HN 0.289 nan 8.250 nan 0.000 0.450 29 K N 1.196 121.679 120.400 0.138 0.000 1.984 29 K HA -0.116 4.192 4.320 -0.019 0.000 0.209 29 K C 1.693 178.394 176.600 0.167 0.000 1.046 29 K CA 1.263 57.629 56.287 0.131 0.000 0.934 29 K CB -0.044 32.510 32.500 0.089 0.000 0.717 29 K HN 0.100 nan 8.250 nan 0.000 0.438 30 N N 0.440 119.250 118.700 0.183 0.000 2.289 30 N HA -0.170 4.559 4.740 -0.019 0.000 0.184 30 N C 1.715 177.419 175.510 0.324 0.000 1.016 30 N CA 0.998 54.166 53.050 0.198 0.000 0.872 30 N CB -0.265 38.364 38.487 0.236 0.000 0.973 30 N HN 0.212 nan 8.380 nan 0.000 0.433 31 F N 2.596 122.668 119.950 0.203 0.000 2.060 31 F HA -0.044 4.471 4.527 -0.019 0.000 0.295 31 F C 2.043 177.971 175.800 0.213 0.000 1.120 31 F CA 1.203 59.336 58.000 0.221 0.000 1.205 31 F CB -0.381 38.706 39.000 0.146 0.000 0.986 31 F HN -0.076 nan 8.300 nan 0.000 0.470 32 N N 0.707 119.661 118.700 0.424 0.000 2.205 32 N HA -0.218 4.511 4.740 -0.019 0.000 0.186 32 N C 2.066 177.671 175.510 0.157 0.000 1.015 32 N CA 1.238 54.445 53.050 0.261 0.000 0.862 32 N CB -0.551 38.074 38.487 0.229 0.000 0.986 32 N HN 0.396 nan 8.380 nan 0.000 0.429 33 R N 0.308 120.912 120.500 0.174 0.000 2.070 33 R HA -0.112 4.216 4.340 -0.019 0.000 0.233 33 R C 1.803 178.222 176.300 0.197 0.000 1.137 33 R CA 1.557 57.793 56.100 0.227 0.000 0.945 33 R CB -0.214 30.134 30.300 0.080 0.000 0.845 33 R HN 0.399 nan 8.270 nan 0.000 0.430 34 H N -0.340 118.792 119.070 0.104 0.000 2.423 34 H HA -0.111 4.433 4.556 -0.019 0.000 0.297 34 H C 1.793 177.078 175.328 -0.072 0.000 1.075 34 H CA 1.262 57.314 56.048 0.008 0.000 1.342 34 H CB 0.060 29.797 29.762 -0.041 0.000 1.395 34 H HN 0.138 nan 8.280 nan 0.000 0.530 35 L N -0.098 121.129 121.223 0.006 0.000 2.083 35 L HA -0.185 4.144 4.340 -0.019 0.000 0.209 35 L C 2.157 179.000 176.870 -0.045 0.000 1.083 35 L CA 1.814 56.615 54.840 -0.066 0.000 0.752 35 L CB -0.369 41.644 42.059 -0.078 0.000 0.899 35 L HN 0.288 nan 8.230 nan 0.000 0.433 36 H N -1.624 117.353 119.070 -0.154 0.000 2.275 36 H HA -0.040 4.505 4.556 -0.019 0.000 0.315 36 H C 1.851 176.917 175.328 -0.437 0.000 1.058 36 H CA 2.212 58.053 56.048 -0.345 0.000 1.387 36 H CB -0.419 29.049 29.762 -0.491 0.000 1.435 36 H HN 0.237 nan 8.280 nan 0.000 0.530 37 F N -0.078 119.875 119.950 0.005 0.000 2.171 37 F HA -0.119 4.396 4.527 -0.019 0.000 0.300 37 F C 2.582 178.320 175.800 -0.102 0.000 1.090 37 F CA 1.648 59.602 58.000 -0.075 0.000 1.293 37 F CB -0.524 38.447 39.000 -0.048 0.000 1.013 37 F HN 0.235 nan 8.300 nan 0.000 0.486 38 T N -0.920 113.665 114.554 0.051 0.000 3.010 38 T HA 0.075 4.414 4.350 -0.019 0.000 0.252 38 T C 1.753 176.381 174.700 -0.121 0.000 1.047 38 T CA 0.607 62.677 62.100 -0.049 0.000 1.140 38 T CB -0.176 68.646 68.868 -0.076 0.000 0.885 38 T HN 0.019 nan 8.240 nan 0.000 0.464 39 L N 0.701 121.859 121.223 -0.109 0.000 2.463 39 L HA 0.283 4.611 4.340 -0.019 0.000 0.219 39 L C 0.406 177.189 176.870 -0.145 0.000 1.088 39 L CA 0.337 55.099 54.840 -0.130 0.000 0.849 39 L CB 0.085 42.081 42.059 -0.105 0.000 1.012 39 L HN -0.034 nan 8.230 nan 0.000 0.468 40 V N 0.566 120.371 119.914 -0.183 0.000 6.125 40 V HA -0.257 3.851 4.120 -0.019 0.000 0.281 40 V C -0.166 175.825 176.094 -0.172 0.000 0.591 40 V CA 0.733 62.897 62.300 -0.227 0.000 0.617 40 V CB -1.982 29.732 31.823 -0.182 0.000 0.336 40 V HN 0.309 nan 8.190 nan 0.000 0.650 41 K N 0.577 120.886 120.400 -0.152 0.000 2.502 41 K HA 0.718 5.026 4.320 -0.019 0.000 0.257 41 K C -0.627 175.939 176.600 -0.058 0.000 0.938 41 K CA -0.782 55.443 56.287 -0.103 0.000 0.819 41 K CB 2.621 35.055 32.500 -0.111 0.000 1.333 41 K HN 0.318 nan 8.250 nan 0.000 0.434 42 D N -0.012 120.370 120.400 -0.029 0.000 2.340 42 D HA 0.323 4.952 4.640 -0.019 0.000 0.243 42 D C 1.048 177.373 176.300 0.041 0.000 0.988 42 D CA -0.488 53.525 54.000 0.021 0.000 0.959 42 D CB 1.673 42.486 40.800 0.022 0.000 1.226 42 D HN 0.436 nan 8.370 nan 0.000 0.509 43 R N 0.804 121.356 120.500 0.086 0.000 2.127 43 R HA -0.168 4.160 4.340 -0.019 0.000 0.238 43 R C 0.498 176.865 176.300 0.112 0.000 1.134 43 R CA 1.771 57.956 56.100 0.142 0.000 0.975 43 R CB -0.191 30.194 30.300 0.141 0.000 0.865 43 R HN 0.483 nan 8.270 nan 0.000 0.447 44 N N -0.984 117.755 118.700 0.066 0.000 2.322 44 N HA -0.010 4.719 4.740 -0.019 0.000 0.216 44 N C 0.555 176.085 175.510 0.033 0.000 1.144 44 N CA 0.030 53.112 53.050 0.053 0.000 0.830 44 N CB 1.498 40.008 38.487 0.039 0.000 1.034 44 N HN 0.056 nan 8.380 nan 0.000 0.484 45 V N -1.790 118.135 119.914 0.018 0.000 3.443 45 V HA 0.451 4.559 4.120 -0.019 0.000 0.277 45 V C 0.071 176.135 176.094 -0.051 0.000 1.648 45 V CA -0.063 62.232 62.300 -0.009 0.000 1.058 45 V CB -0.061 31.753 31.823 -0.015 0.000 0.877 45 V HN 0.391 nan 8.190 nan 0.000 0.417 46 A N 1.593 124.356 122.820 -0.095 0.000 2.440 46 A HA 0.585 4.893 4.320 -0.019 0.000 0.251 46 A C 0.661 178.042 177.584 -0.339 0.000 1.089 46 A CA 0.760 52.624 52.037 -0.288 0.000 0.779 46 A CB 0.050 18.726 19.000 -0.540 0.000 1.022 46 A HN 0.683 nan 8.150 nan 0.000 0.492 47 T N 0.779 115.156 114.554 -0.295 0.000 2.927 47 T HA 0.503 4.841 4.350 -0.019 0.000 0.281 47 T C -1.916 172.695 174.700 -0.149 0.000 0.998 47 T CA -1.715 60.311 62.100 -0.123 0.000 1.019 47 T CB 0.974 69.827 68.868 -0.025 0.000 1.061 47 T HN 0.284 nan 8.240 nan 0.000 0.518 48 P HA -0.257 nan 4.420 nan 0.000 0.222 48 P C 1.623 179.064 177.300 0.235 0.000 1.157 48 P CA 1.508 64.804 63.100 0.326 0.000 0.905 48 P CB 0.007 31.830 31.700 0.205 0.000 0.792 49 R N -0.457 120.124 120.500 0.134 0.000 2.096 49 R HA -0.158 4.170 4.340 -0.019 0.000 0.235 49 R C 1.667 178.153 176.300 0.309 0.000 1.127 49 R CA 1.867 58.087 56.100 0.200 0.000 0.968 49 R CB -0.659 29.714 30.300 0.121 0.000 0.861 49 R HN 0.120 nan 8.270 nan 0.000 0.440 50 D N -0.352 120.104 120.400 0.095 0.000 2.117 50 D HA -0.179 4.449 4.640 -0.019 0.000 0.197 50 D C 1.687 177.980 176.300 -0.012 0.000 0.987 50 D CA 1.290 55.282 54.000 -0.014 0.000 0.829 50 D CB -0.306 40.333 40.800 -0.269 0.000 0.961 50 D HN 0.305 nan 8.370 nan 0.000 0.460 51 Y N -0.162 120.224 120.300 0.144 0.000 2.200 51 Y HA -0.167 4.371 4.550 -0.019 0.000 0.290 51 Y C 2.298 178.305 175.900 0.179 0.000 1.137 51 Y CA 0.251 58.467 58.100 0.193 0.000 1.163 51 Y CB -1.148 37.488 38.460 0.293 0.000 0.988 51 Y HN 0.060 nan 8.280 nan 0.000 0.518 52 Y N -0.313 120.117 120.300 0.215 0.000 2.097 52 Y HA -0.295 4.244 4.550 -0.019 0.000 0.282 52 Y C 2.016 177.851 175.900 -0.108 0.000 1.152 52 Y CA 1.302 59.413 58.100 0.019 0.000 1.136 52 Y CB -1.184 37.186 38.460 -0.149 0.000 0.975 52 Y HN 0.027 nan 8.280 nan 0.000 0.498 53 F N 0.327 120.030 119.950 -0.411 0.000 2.171 53 F HA -0.147 4.369 4.527 -0.018 0.000 0.300 53 F C 2.639 178.217 175.800 -0.371 0.000 1.090 53 F CA 1.497 59.180 58.000 -0.529 0.000 1.293 53 F CB -1.083 37.814 39.000 -0.172 0.000 1.013 53 F HN 0.218 nan 8.300 nan 0.000 0.486 54 A N -0.148 122.599 122.820 -0.121 0.000 1.898 54 A HA -0.119 4.190 4.320 -0.019 0.000 0.216 54 A C 2.293 179.752 177.584 -0.209 0.000 1.181 54 A CA 1.124 53.002 52.037 -0.264 0.000 0.620 54 A CB -0.949 17.588 19.000 -0.771 0.000 0.819 54 A HN 0.371 nan 8.150 nan 0.000 0.442 55 L N -0.479 120.725 121.223 -0.033 0.000 1.970 55 L HA -0.221 4.108 4.340 -0.019 0.000 0.212 55 L C 2.965 179.776 176.870 -0.098 0.000 1.071 55 L CA 1.942 56.871 54.840 0.148 0.000 0.751 55 L CB -0.869 41.333 42.059 0.237 0.000 0.889 55 L HN 0.447 nan 8.230 nan 0.000 0.432 56 A N -0.559 122.009 122.820 -0.419 0.000 1.903 56 A HA -0.324 3.985 4.320 -0.019 0.000 0.219 56 A C 1.855 179.017 177.584 -0.703 0.000 1.191 56 A CA 2.337 53.977 52.037 -0.662 0.000 0.638 56 A CB -1.149 17.105 19.000 -1.243 0.000 0.823 56 A HN 0.690 nan 8.150 nan 0.000 0.451 57 H N -0.950 117.805 119.070 -0.524 0.000 2.428 57 H HA -0.025 4.520 4.556 -0.019 0.000 0.296 57 H C 2.332 177.420 175.328 -0.400 0.000 1.062 57 H CA 1.686 57.390 56.048 -0.573 0.000 1.350 57 H CB -0.111 29.074 29.762 -0.961 0.000 1.403 57 H HN 0.527 nan 8.280 nan 0.000 0.533 58 T N -0.300 114.182 114.554 -0.120 0.000 2.857 58 T HA -0.104 4.235 4.350 -0.019 0.000 0.266 58 T C 2.243 177.098 174.700 0.259 0.000 1.048 58 T CA 1.025 63.247 62.100 0.204 0.000 1.139 58 T CB -0.351 68.694 68.868 0.296 0.000 0.874 58 T HN 0.091 nan 8.240 nan 0.000 0.455 59 V N 1.379 121.387 119.914 0.156 0.000 2.358 59 V HA -0.089 4.019 4.120 -0.019 0.000 0.246 59 V C 2.850 179.106 176.094 0.270 0.000 1.047 59 V CA 1.311 63.721 62.300 0.184 0.000 1.035 59 V CB -0.505 31.441 31.823 0.205 0.000 0.658 59 V HN 0.290 nan 8.190 nan 0.000 0.452 60 R N 0.170 120.815 120.500 0.242 0.000 2.105 60 R HA -0.179 4.149 4.340 -0.019 0.000 0.239 60 R C 1.961 178.397 176.300 0.226 0.000 1.135 60 R CA 1.773 58.021 56.100 0.247 0.000 0.967 60 R CB -0.720 29.591 30.300 0.018 0.000 0.861 60 R HN 0.514 nan 8.270 nan 0.000 0.442 61 D N -0.567 119.971 120.400 0.229 0.000 2.221 61 D HA -0.141 4.487 4.640 -0.019 0.000 0.204 61 D C 1.446 177.822 176.300 0.127 0.000 0.982 61 D CA 1.215 55.329 54.000 0.189 0.000 0.857 61 D CB -0.232 40.679 40.800 0.186 0.000 0.934 61 D HN 0.415 nan 8.370 nan 0.000 0.475 62 H N -0.829 118.309 119.070 0.114 0.000 2.551 62 H HA 0.114 4.659 4.556 -0.019 0.000 0.266 62 H C 1.610 176.984 175.328 0.076 0.000 0.977 62 H CA 0.097 56.195 56.048 0.084 0.000 1.163 62 H CB 0.195 29.996 29.762 0.066 0.000 1.381 62 H HN 0.026 nan 8.280 nan 0.000 0.581 63 L N 0.463 121.807 121.223 0.201 0.000 2.209 63 L HA -0.034 4.295 4.340 -0.019 0.000 0.207 63 L C 1.956 178.936 176.870 0.184 0.000 1.094 63 L CA 0.753 55.679 54.840 0.143 0.000 0.790 63 L CB -0.169 41.962 42.059 0.121 0.000 0.932 63 L HN 0.205 nan 8.230 nan 0.000 0.447 64 V N -3.187 116.856 119.914 0.215 0.000 2.719 64 V HA 0.087 4.196 4.120 -0.019 0.000 0.252 64 V C 2.360 178.568 176.094 0.191 0.000 1.065 64 V CA 1.257 63.730 62.300 0.288 0.000 1.086 64 V CB -1.885 30.088 31.823 0.249 0.000 0.700 64 V HN 0.371 nan 8.190 nan 0.000 0.467 65 G N 0.138 109.004 108.800 0.110 0.000 2.421 65 G HA2 -0.169 3.779 3.960 -0.019 0.000 0.217 65 G HA3 -0.169 3.779 3.960 -0.019 0.000 0.217 65 G C 1.745 176.688 174.900 0.072 0.000 1.143 65 G CA 0.666 45.804 45.100 0.064 0.000 0.784 65 G HN 0.445 nan 8.290 nan 0.000 0.541 66 R N -1.024 119.531 120.500 0.092 0.000 2.066 66 R HA -0.010 4.319 4.340 -0.019 0.000 0.232 66 R C 2.114 178.495 176.300 0.134 0.000 1.131 66 R CA 1.198 57.343 56.100 0.075 0.000 0.955 66 R CB -0.532 29.799 30.300 0.052 0.000 0.851 66 R HN 0.480 nan 8.270 nan 0.000 0.432 67 W N 1.174 122.457 121.300 -0.027 0.000 2.333 67 W HA -0.124 4.525 4.660 -0.019 0.000 0.316 67 W C 1.605 178.100 176.519 -0.041 0.000 1.215 67 W CA 1.235 58.559 57.345 -0.033 0.000 1.278 67 W CB -0.681 28.779 29.460 -0.000 0.000 1.154 67 W HN 0.021 nan 8.180 nan 0.000 0.486 68 I N 0.101 120.707 120.570 0.060 0.000 2.264 68 I HA -0.322 3.837 4.170 -0.019 0.000 0.248 68 I C 2.737 178.831 176.117 -0.039 0.000 1.111 68 I CA 1.610 62.862 61.300 -0.080 0.000 1.382 68 I CB -0.610 37.355 38.000 -0.059 0.000 1.060 68 I HN -0.060 nan 8.210 nan 0.000 0.418 69 R N -0.042 120.460 120.500 0.003 0.000 2.115 69 R HA -0.099 4.229 4.340 -0.019 0.000 0.226 69 R C 2.280 178.564 176.300 -0.025 0.000 1.100 69 R CA 1.615 57.719 56.100 0.007 0.000 0.980 69 R CB -0.094 30.217 30.300 0.019 0.000 0.875 69 R HN 0.306 nan 8.270 nan 0.000 0.445 70 T N 0.738 115.239 114.554 -0.088 0.000 2.770 70 T HA -0.097 4.242 4.350 -0.019 0.000 0.263 70 T C 1.663 176.059 174.700 -0.507 0.000 1.039 70 T CA 0.839 62.761 62.100 -0.296 0.000 1.142 70 T CB -0.042 68.698 68.868 -0.213 0.000 0.868 70 T HN 0.175 nan 8.240 nan 0.000 0.435 71 Q N 1.050 120.712 119.800 -0.230 0.000 2.079 71 Q HA -0.082 4.246 4.340 -0.019 0.000 0.200 71 Q C 2.369 178.346 176.000 -0.038 0.000 0.974 71 Q CA 1.339 57.073 55.803 -0.115 0.000 0.840 71 Q CB -0.693 28.017 28.738 -0.046 0.000 0.898 71 Q HN 0.465 nan 8.270 nan 0.000 0.430 72 Q N 0.360 120.144 119.800 -0.027 0.000 2.096 72 Q HA -0.194 4.135 4.340 -0.019 0.000 0.204 72 Q C 1.815 177.851 176.000 0.061 0.000 0.982 72 Q CA 1.926 57.751 55.803 0.036 0.000 0.850 72 Q CB -0.492 28.251 28.738 0.008 0.000 0.901 72 Q HN 0.565 nan 8.270 nan 0.000 0.422 73 H N -1.343 117.687 119.070 -0.068 0.000 2.353 73 H HA -0.177 4.368 4.556 -0.019 0.000 0.298 73 H C 0.958 176.313 175.328 0.044 0.000 1.103 73 H CA 2.261 58.272 56.048 -0.063 0.000 1.293 73 H CB -0.050 29.606 29.762 -0.176 0.000 1.372 73 H HN 0.374 nan 8.280 nan 0.000 0.501 74 Y N -1.873 118.537 120.300 0.183 0.000 2.516 74 Y HA -0.088 4.450 4.550 -0.019 0.000 0.291 74 Y C 2.013 177.972 175.900 0.099 0.000 1.131 74 Y CA 0.427 58.605 58.100 0.131 0.000 1.281 74 Y CB -0.830 37.715 38.460 0.142 0.000 1.013 74 Y HN 0.361 nan 8.280 nan 0.000 0.554 75 Y N 1.772 122.160 120.300 0.147 0.000 2.243 75 Y HA -0.115 4.424 4.550 -0.019 0.000 0.293 75 Y C 2.180 178.090 175.900 0.017 0.000 1.124 75 Y CA 1.790 59.935 58.100 0.074 0.000 1.159 75 Y CB -0.143 38.342 38.460 0.041 0.000 1.008 75 Y HN 0.272 nan 8.280 nan 0.000 0.527 76 E N 0.197 120.303 120.200 -0.155 0.000 2.112 76 E HA -0.180 4.158 4.350 -0.019 0.000 0.190 76 E C 1.979 178.468 176.600 -0.185 0.000 0.979 76 E CA 1.232 57.489 56.400 -0.238 0.000 0.814 76 E CB -0.492 29.127 29.700 -0.137 0.000 0.762 76 E HN 0.406 nan 8.360 nan 0.000 0.460 77 K N 1.484 121.815 120.400 -0.114 0.000 2.432 77 K HA -0.119 4.190 4.320 -0.019 0.000 0.196 77 K C -0.080 176.505 176.600 -0.026 0.000 1.038 77 K CA 0.690 56.952 56.287 -0.042 0.000 0.986 77 K CB -0.120 32.412 32.500 0.054 0.000 0.782 77 K HN -0.059 nan 8.250 nan 0.000 0.485 78 D N 1.737 122.109 120.400 -0.047 0.000 2.894 78 D HA -0.117 4.512 4.640 -0.019 0.000 0.216 78 D C -2.311 173.963 176.300 -0.043 0.000 1.245 78 D CA 0.096 54.060 54.000 -0.060 0.000 0.728 78 D CB -0.177 40.535 40.800 -0.146 0.000 0.924 78 D HN 0.233 nan 8.370 nan 0.000 0.395 79 P HA 0.046 nan 4.420 nan 0.000 0.270 79 P C -0.190 177.066 177.300 -0.074 0.000 1.223 79 P CA -0.344 62.719 63.100 -0.061 0.000 0.785 79 P CB 0.489 32.112 31.700 -0.128 0.000 0.923 80 K N 2.379 122.736 120.400 -0.072 0.000 2.489 80 K HA 0.032 4.340 4.320 -0.019 0.000 0.278 80 K C -0.125 176.405 176.600 -0.117 0.000 1.000 80 K CA -0.000 56.243 56.287 -0.074 0.000 1.012 80 K CB 0.308 32.779 32.500 -0.048 0.000 0.903 80 K HN 0.272 nan 8.250 nan 0.000 0.485 81 R N 4.366 124.796 120.500 -0.117 0.000 2.604 81 R HA 0.422 4.751 4.340 -0.019 0.000 0.287 81 R C -0.317 175.793 176.300 -0.316 0.000 0.970 81 R CA -0.784 55.188 56.100 -0.212 0.000 0.946 81 R CB 0.606 30.797 30.300 -0.181 0.000 1.127 81 R HN 0.586 nan 8.270 nan 0.000 0.473 82 I N 2.840 123.152 120.570 -0.430 0.000 2.339 82 I HA 0.288 4.447 4.170 -0.019 0.000 0.290 82 I C -0.647 175.209 176.117 -0.435 0.000 0.994 82 I CA -0.745 60.247 61.300 -0.514 0.000 1.191 82 I CB 0.698 38.253 38.000 -0.741 0.000 1.343 82 I HN 0.335 nan 8.210 nan 0.000 0.458 83 Y N 5.652 125.933 120.300 -0.032 0.000 2.331 83 Y HA 0.329 4.867 4.550 -0.019 0.000 0.338 83 Y C -0.534 175.463 175.900 0.162 0.000 0.992 83 Y CA -0.609 57.590 58.100 0.166 0.000 1.121 83 Y CB 1.155 39.655 38.460 0.067 0.000 1.184 83 Y HN 0.412 nan 8.280 nan 0.000 0.469 84 Y N 4.529 125.009 120.300 0.300 0.000 2.417 84 Y HA 0.491 5.030 4.550 -0.019 0.000 0.336 84 Y C -1.369 174.767 175.900 0.393 0.000 0.961 84 Y CA -1.112 57.159 58.100 0.285 0.000 1.215 84 Y CB 0.382 39.015 38.460 0.288 0.000 1.120 84 Y HN 0.570 nan 8.280 nan 0.000 0.499 85 L N 5.307 126.526 121.223 -0.007 0.000 2.278 85 L HA 0.426 4.754 4.340 -0.019 0.000 0.287 85 L C -0.113 176.724 176.870 -0.055 0.000 1.072 85 L CA 0.396 55.290 54.840 0.090 0.000 0.819 85 L CB 0.978 43.070 42.059 0.055 0.000 1.176 85 L HN 0.627 nan 8.230 nan 0.000 0.435 86 S N 2.830 118.587 115.700 0.096 0.000 2.541 86 S HA 0.536 4.995 4.470 -0.019 0.000 0.271 86 S C 0.082 174.750 174.600 0.112 0.000 1.133 86 S CA -0.557 57.618 58.200 -0.041 0.000 0.876 86 S CB 1.100 64.097 63.200 -0.339 0.000 1.105 86 S HN 0.441 nan 8.310 nan 0.000 0.470 87 L N 2.576 123.904 121.223 0.174 0.000 2.607 87 L HA 0.497 4.826 4.340 -0.019 0.000 0.228 87 L C 0.117 177.180 176.870 0.321 0.000 1.123 87 L CA 0.729 55.746 54.840 0.297 0.000 0.890 87 L CB -0.016 42.261 42.059 0.363 0.000 1.103 87 L HN 0.658 nan 8.230 nan 0.000 0.468 88 E N -1.089 119.188 120.200 0.128 0.000 2.275 88 E HA 0.413 4.752 4.350 -0.019 0.000 0.270 88 E C -1.430 175.082 176.600 -0.146 0.000 0.882 88 E CA -0.476 55.988 56.400 0.106 0.000 0.758 88 E CB 2.008 31.748 29.700 0.066 0.000 1.195 88 E HN -0.192 nan 8.360 nan 0.000 0.419 89 F N 2.305 122.359 119.950 0.174 0.000 2.716 89 F HA 0.178 4.694 4.527 -0.019 0.000 0.354 89 F C -0.945 174.947 175.800 0.153 0.000 1.168 89 F CA -0.720 57.372 58.000 0.154 0.000 1.045 89 F CB 1.027 40.107 39.000 0.134 0.000 1.311 89 F HN 0.476 nan 8.300 nan 0.000 0.477 90 Y N 5.660 126.045 120.300 0.142 0.000 2.880 90 Y HA 0.253 4.792 4.550 -0.018 0.000 0.329 90 Y C 0.878 176.801 175.900 0.039 0.000 1.156 90 Y CA -1.351 56.780 58.100 0.052 0.000 1.348 90 Y CB 0.380 38.852 38.460 0.021 0.000 1.280 90 Y HN 0.529 nan 8.280 nan 0.000 0.516 91 M N 1.586 121.312 119.600 0.211 0.000 2.132 91 M HA 0.058 4.526 4.480 -0.019 0.000 0.263 91 M C 1.682 177.951 176.300 -0.050 0.000 1.065 91 M CA 1.344 56.673 55.300 0.050 0.000 1.122 91 M CB -1.444 31.160 32.600 0.006 0.000 1.365 91 M HN 0.672 nan 8.290 nan 0.000 0.411 92 G N 0.983 109.768 108.800 -0.025 0.000 2.539 92 G HA2 -0.261 3.688 3.960 -0.019 0.000 0.256 92 G HA3 -0.261 3.688 3.960 -0.019 0.000 0.256 92 G C -0.188 174.664 174.900 -0.081 0.000 1.233 92 G CA -0.157 44.895 45.100 -0.079 0.000 0.936 92 G HN 0.450 nan 8.290 nan 0.000 0.571 93 R N -0.330 120.103 120.500 -0.112 0.000 2.500 93 R HA 0.572 4.901 4.340 -0.019 0.000 0.275 93 R C 0.902 177.078 176.300 -0.207 0.000 1.051 93 R CA 0.158 56.201 56.100 -0.096 0.000 1.088 93 R CB 0.872 31.125 30.300 -0.078 0.000 1.063 93 R HN 0.536 nan 8.270 nan 0.000 0.511 94 T N 1.075 115.441 114.554 -0.314 0.000 3.015 94 T HA -0.023 4.316 4.350 -0.019 0.000 0.250 94 T C 1.566 175.875 174.700 -0.653 0.000 1.057 94 T CA -0.084 61.612 62.100 -0.674 0.000 1.066 94 T CB 0.109 68.094 68.868 -1.472 0.000 0.959 94 T HN 0.287 nan 8.240 nan 0.000 0.488 95 L N 1.873 122.945 121.223 -0.252 0.000 1.989 95 L HA -0.035 4.294 4.340 -0.019 0.000 0.211 95 L C 2.452 179.289 176.870 -0.055 0.000 1.071 95 L CA 1.960 56.802 54.840 0.003 0.000 0.749 95 L CB -0.736 41.528 42.059 0.342 0.000 0.890 95 L HN 0.180 nan 8.230 nan 0.000 0.431 96 Q N -0.860 118.900 119.800 -0.067 0.000 2.079 96 Q HA -0.230 4.099 4.340 -0.019 0.000 0.200 96 Q C 2.245 178.174 176.000 -0.118 0.000 0.974 96 Q CA 1.739 57.498 55.803 -0.074 0.000 0.840 96 Q CB -0.210 28.480 28.738 -0.081 0.000 0.898 96 Q HN 0.675 nan 8.270 nan 0.000 0.430 97 N N -1.029 117.562 118.700 -0.182 0.000 2.069 97 N HA -0.157 4.572 4.740 -0.019 0.000 0.191 97 N C 1.409 176.814 175.510 -0.175 0.000 1.031 97 N CA 1.756 54.690 53.050 -0.194 0.000 0.852 97 N CB 0.078 38.415 38.487 -0.250 0.000 1.018 97 N HN 0.203 nan 8.380 nan 0.000 0.423 98 T N 1.072 115.488 114.554 -0.229 0.000 2.833 98 T HA -0.081 4.257 4.350 -0.019 0.000 0.269 98 T C 1.931 176.571 174.700 -0.100 0.000 1.054 98 T CA 1.145 63.132 62.100 -0.188 0.000 1.135 98 T CB -0.045 68.666 68.868 -0.261 0.000 0.869 98 T HN 0.298 nan 8.240 nan 0.000 0.466 99 M N 0.296 119.851 119.600 -0.074 0.000 2.200 99 M HA -0.010 4.458 4.480 -0.019 0.000 0.265 99 M C 2.419 178.688 176.300 -0.052 0.000 1.066 99 M CA 0.862 56.132 55.300 -0.050 0.000 1.127 99 M CB -0.514 32.069 32.600 -0.029 0.000 1.379 99 M HN 0.044 nan 8.290 nan 0.000 0.420 100 V N 1.227 121.116 119.914 -0.043 0.000 2.255 100 V HA -0.288 3.820 4.120 -0.019 0.000 0.247 100 V C 1.928 178.028 176.094 0.011 0.000 1.051 100 V CA 2.004 64.306 62.300 0.004 0.000 1.018 100 V CB -0.810 31.013 31.823 0.000 0.000 0.641 100 V HN 0.478 nan 8.190 nan 0.000 0.445 101 N N -0.600 118.088 118.700 -0.020 0.000 2.396 101 N HA -0.035 4.694 4.740 -0.019 0.000 0.180 101 N C 1.122 176.534 175.510 -0.164 0.000 1.028 101 N CA 0.744 53.757 53.050 -0.062 0.000 0.893 101 N CB -0.052 38.409 38.487 -0.043 0.000 0.967 101 N HN 0.290 nan 8.380 nan 0.000 0.440 102 L N -0.352 120.798 121.223 -0.122 0.000 2.693 102 L HA 0.411 4.740 4.340 -0.019 0.000 0.235 102 L C 0.673 177.473 176.870 -0.117 0.000 1.127 102 L CA -0.133 54.640 54.840 -0.111 0.000 0.914 102 L CB -0.555 41.468 42.059 -0.061 0.000 1.193 102 L HN 0.119 nan 8.230 nan 0.000 0.502 103 A N -0.765 121.978 122.820 -0.128 0.000 2.847 103 A HA -0.222 4.087 4.320 -0.019 0.000 0.263 103 A C 1.238 178.777 177.584 -0.074 0.000 1.391 103 A CA 1.028 53.002 52.037 -0.105 0.000 0.866 103 A CB -2.002 16.923 19.000 -0.125 0.000 1.057 103 A HN 0.198 nan 8.150 nan 0.000 0.673 104 L N -0.329 120.849 121.223 -0.075 0.000 2.591 104 L HA 0.119 4.447 4.340 -0.019 0.000 0.228 104 L C 1.969 178.807 176.870 -0.053 0.000 1.133 104 L CA 1.904 56.697 54.840 -0.078 0.000 0.880 104 L CB -0.873 41.120 42.059 -0.110 0.000 1.033 104 L HN 0.739 nan 8.230 nan 0.000 0.450 105 E N -0.204 119.973 120.200 -0.039 0.000 2.110 105 E HA -0.207 4.131 4.350 -0.019 0.000 0.193 105 E C 1.728 178.315 176.600 -0.021 0.000 0.988 105 E CA 1.128 57.513 56.400 -0.025 0.000 0.804 105 E CB 0.302 29.991 29.700 -0.019 0.000 0.745 105 E HN 0.393 nan 8.360 nan 0.000 0.458 106 N N -0.115 118.572 118.700 -0.023 0.000 2.250 106 N HA -0.054 4.675 4.740 -0.019 0.000 0.181 106 N C 1.574 177.072 175.510 -0.021 0.000 1.017 106 N CA 1.068 54.105 53.050 -0.021 0.000 0.866 106 N CB -0.141 38.333 38.487 -0.021 0.000 0.985 106 N HN 0.211 nan 8.380 nan 0.000 0.429 107 A N 0.402 123.207 122.820 -0.025 0.000 1.933 107 A HA -0.119 4.190 4.320 -0.019 0.000 0.218 107 A C 2.559 180.129 177.584 -0.023 0.000 1.175 107 A CA 1.149 53.172 52.037 -0.023 0.000 0.628 107 A CB -0.779 18.202 19.000 -0.031 0.000 0.814 107 A HN 0.427 nan 8.150 nan 0.000 0.444 108 C N -1.162 118.122 119.300 -0.027 0.000 2.467 108 C HA 0.010 4.459 4.460 -0.019 0.000 0.279 108 C C 2.315 177.296 174.990 -0.014 0.000 1.347 108 C CA 0.878 59.883 59.018 -0.021 0.000 1.748 108 C CB -1.180 26.555 27.740 -0.009 0.000 1.977 108 C HN 0.743 nan 8.230 nan 0.000 0.501 109 D N 0.714 121.113 120.400 -0.003 0.000 2.178 109 D HA -0.130 4.499 4.640 -0.019 0.000 0.202 109 D C 2.126 178.450 176.300 0.041 0.000 0.974 109 D CA 1.034 55.043 54.000 0.015 0.000 0.841 109 D CB -0.008 40.795 40.800 0.006 0.000 0.953 109 D HN 0.366 nan 8.370 nan 0.000 0.478 110 E N 0.222 120.435 120.200 0.022 0.000 2.015 110 E HA -0.079 4.260 4.350 -0.019 0.000 0.191 110 E C 1.925 178.554 176.600 0.048 0.000 0.991 110 E CA 1.500 57.930 56.400 0.050 0.000 0.802 110 E CB -0.669 29.042 29.700 0.018 0.000 0.759 110 E HN 0.236 nan 8.360 nan 0.000 0.447 111 A N -0.173 122.640 122.820 -0.011 0.000 1.892 111 A HA -0.247 4.062 4.320 -0.019 0.000 0.218 111 A C 2.467 179.966 177.584 -0.143 0.000 1.188 111 A CA 3.120 55.119 52.037 -0.063 0.000 0.631 111 A CB -1.476 17.485 19.000 -0.065 0.000 0.822 111 A HN 0.515 nan 8.150 nan 0.000 0.447 112 T N -4.208 110.255 114.554 -0.152 0.000 2.951 112 T HA -0.135 4.204 4.350 -0.019 0.000 0.268 112 T C 1.789 176.394 174.700 -0.158 0.000 1.073 112 T CA 1.328 63.288 62.100 -0.235 0.000 1.134 112 T CB -0.471 68.296 68.868 -0.169 0.000 0.884 112 T HN 0.403 nan 8.240 nan 0.000 0.479 113 Y N 2.519 122.745 120.300 -0.124 0.000 2.145 113 Y HA -0.117 4.422 4.550 -0.018 0.000 0.286 113 Y C 2.661 178.503 175.900 -0.097 0.000 1.145 113 Y CA 1.536 59.581 58.100 -0.091 0.000 1.148 113 Y CB -0.446 37.977 38.460 -0.062 0.000 0.981 113 Y HN 0.281 nan 8.280 nan 0.000 0.507 114 Q N -1.223 118.505 119.800 -0.119 0.000 2.172 114 Q HA -0.101 4.227 4.340 -0.019 0.000 0.200 114 Q C 1.741 177.626 176.000 -0.192 0.000 0.964 114 Q CA 0.768 56.486 55.803 -0.142 0.000 0.855 114 Q CB -0.097 28.617 28.738 -0.039 0.000 0.918 114 Q HN 0.324 nan 8.270 nan 0.000 0.444 115 L N -0.167 120.918 121.223 -0.229 0.000 2.551 115 L HA 0.056 4.385 4.340 -0.019 0.000 0.228 115 L C 1.038 177.745 176.870 -0.271 0.000 1.153 115 L CA 1.456 56.147 54.840 -0.248 0.000 0.851 115 L CB -0.961 40.864 42.059 -0.390 0.000 0.959 115 L HN 0.391 nan 8.230 nan 0.000 0.451 116 G N -0.722 107.882 108.800 -0.327 0.000 2.248 116 G HA2 -0.255 3.694 3.960 -0.019 0.000 0.252 116 G HA3 -0.255 3.694 3.960 -0.019 0.000 0.252 116 G C 0.733 175.450 174.900 -0.306 0.000 1.085 116 G CA 0.441 45.334 45.100 -0.345 0.000 0.845 116 G HN 0.383 nan 8.290 nan 0.000 0.494 117 L N -0.877 120.178 121.223 -0.279 0.000 2.685 117 L HA 0.320 4.649 4.340 -0.019 0.000 0.235 117 L C 0.847 177.666 176.870 -0.085 0.000 1.070 117 L CA 0.296 55.008 54.840 -0.214 0.000 0.888 117 L CB 0.275 42.166 42.059 -0.279 0.000 1.203 117 L HN 0.420 nan 8.230 nan 0.000 0.499 118 D N 0.974 121.358 120.400 -0.026 0.000 4.693 118 D HA -0.227 4.402 4.640 -0.019 0.000 0.242 118 D C 0.642 176.967 176.300 0.043 0.000 1.084 118 D CA 0.455 54.481 54.000 0.043 0.000 1.227 118 D CB -0.129 40.700 40.800 0.048 0.000 0.779 118 D HN 0.246 nan 8.370 nan 0.000 0.380 119 M N 3.055 122.685 119.600 0.049 0.000 2.159 119 M HA -0.157 4.312 4.480 -0.019 0.000 0.263 119 M C 1.795 178.132 176.300 0.062 0.000 1.063 119 M CA 1.480 56.814 55.300 0.057 0.000 1.110 119 M CB 0.041 32.669 32.600 0.047 0.000 1.374 119 M HN 0.382 nan 8.290 nan 0.000 0.411 120 E N -0.125 120.104 120.200 0.049 0.000 2.204 120 E HA -0.246 4.093 4.350 -0.019 0.000 0.195 120 E C 1.785 178.410 176.600 0.043 0.000 0.990 120 E CA 1.221 57.645 56.400 0.040 0.000 0.821 120 E CB -0.097 29.624 29.700 0.034 0.000 0.750 120 E HN 0.655 nan 8.360 nan 0.000 0.477 121 E N 0.198 120.428 120.200 0.051 0.000 2.072 121 E HA -0.165 4.174 4.350 -0.019 0.000 0.190 121 E C 1.806 178.441 176.600 0.059 0.000 0.982 121 E CA 0.476 56.908 56.400 0.052 0.000 0.803 121 E CB 0.220 29.953 29.700 0.055 0.000 0.755 121 E HN 0.062 nan 8.360 nan 0.000 0.453 122 L N 1.125 122.403 121.223 0.093 0.000 2.156 122 L HA -0.095 4.234 4.340 -0.019 0.000 0.208 122 L C 1.892 178.817 176.870 0.092 0.000 1.095 122 L CA 1.538 56.464 54.840 0.143 0.000 0.770 122 L CB -0.482 41.712 42.059 0.225 0.000 0.914 122 L HN 0.097 nan 8.230 nan 0.000 0.439 123 E N -0.722 119.518 120.200 0.066 0.000 2.153 123 E HA -0.247 4.091 4.350 -0.019 0.000 0.194 123 E C 1.780 178.326 176.600 -0.091 0.000 0.988 123 E CA 0.827 57.234 56.400 0.012 0.000 0.811 123 E CB 0.030 29.742 29.700 0.020 0.000 0.746 123 E HN 0.287 nan 8.360 nan 0.000 0.466 124 E N 0.229 120.391 120.200 -0.064 0.000 2.478 124 E HA -0.088 4.251 4.350 -0.019 0.000 0.198 124 E C 1.195 177.714 176.600 -0.135 0.000 1.046 124 E CA 0.428 56.787 56.400 -0.068 0.000 0.870 124 E CB 0.116 29.813 29.700 -0.006 0.000 0.818 124 E HN 0.195 nan 8.360 nan 0.000 0.527 125 I N 0.403 120.823 120.570 -0.250 0.000 3.226 125 I HA 0.012 4.171 4.170 -0.019 0.000 0.277 125 I C 0.838 176.609 176.117 -0.577 0.000 1.243 125 I CA 0.325 61.418 61.300 -0.346 0.000 1.459 125 I CB -0.664 37.155 38.000 -0.302 0.000 1.093 125 I HN 0.167 nan 8.210 nan 0.000 0.453 126 E N 2.270 122.039 120.200 -0.720 0.000 2.344 126 E HA -0.017 4.322 4.350 -0.019 0.000 0.270 126 E C -0.112 176.382 176.600 -0.176 0.000 1.021 126 E CA -0.171 55.880 56.400 -0.582 0.000 0.887 126 E CB 0.870 30.325 29.700 -0.409 0.000 0.997 126 E HN 0.039 nan 8.360 nan 0.000 0.429 127 E N 2.945 123.123 120.200 -0.036 0.000 2.331 127 E HA 0.086 4.425 4.350 -0.019 0.000 0.272 127 E C -1.230 175.462 176.600 0.154 0.000 1.036 127 E CA -0.295 56.176 56.400 0.117 0.000 0.864 127 E CB 0.777 30.627 29.700 0.250 0.000 1.035 127 E HN 0.334 nan 8.360 nan 0.000 0.408 128 D N 1.710 122.182 120.400 0.120 0.000 2.341 128 D HA 0.323 4.951 4.640 -0.019 0.000 0.245 128 D C -0.787 175.541 176.300 0.046 0.000 1.106 128 D CA 0.037 54.077 54.000 0.068 0.000 0.905 128 D CB 1.078 41.899 40.800 0.036 0.000 1.202 128 D HN 0.463 nan 8.370 nan 0.000 0.426 129 A N 1.786 124.578 122.820 -0.047 0.000 2.437 129 A HA 0.484 4.793 4.320 -0.019 0.000 0.303 129 A C 0.981 178.407 177.584 -0.262 0.000 1.324 129 A CA -0.390 51.402 52.037 -0.407 0.000 0.983 129 A CB -0.255 18.567 19.000 -0.297 0.000 1.142 129 A HN 0.570 nan 8.150 nan 0.000 0.541 130 G N 1.985 110.580 108.800 -0.342 0.000 4.084 130 G HA2 0.404 4.352 3.960 -0.019 0.000 0.293 130 G HA3 0.404 4.352 3.960 -0.019 0.000 0.293 130 G C 0.190 174.873 174.900 -0.361 0.000 1.303 130 G CA -0.207 44.774 45.100 -0.198 0.000 1.289 130 G HN 0.539 nan 8.290 nan 0.000 0.609 131 L N 1.519 122.575 121.223 -0.278 0.000 2.747 131 L HA 0.384 4.713 4.340 -0.019 0.000 0.248 131 L C 1.219 178.055 176.870 -0.057 0.000 1.191 131 L CA -0.027 54.763 54.840 -0.084 0.000 1.003 131 L CB -0.411 41.690 42.059 0.069 0.000 1.235 131 L HN 0.292 nan 8.230 nan 0.000 0.426 132 G N -2.172 106.377 108.800 -0.418 0.000 2.649 132 G HA2 0.230 4.179 3.960 -0.019 0.000 0.290 132 G HA3 0.230 4.179 3.960 -0.019 0.000 0.290 132 G C 0.161 174.611 174.900 -0.750 0.000 1.426 132 G CA -0.484 44.354 45.100 -0.436 0.000 0.794 132 G HN -0.099 nan 8.290 nan 0.000 0.483 133 N N -0.912 117.560 118.700 -0.381 0.000 2.454 133 N HA 0.231 4.960 4.740 -0.019 0.000 0.177 133 N C 1.100 176.615 175.510 0.009 0.000 1.049 133 N CA 1.174 54.107 53.050 -0.195 0.000 0.887 133 N CB 1.623 40.108 38.487 -0.004 0.000 1.095 133 N HN 0.836 nan 8.380 nan 0.000 0.446 134 G N -0.482 108.415 108.800 0.162 0.000 2.927 134 G HA2 0.152 4.101 3.960 -0.019 0.000 0.111 134 G HA3 0.152 4.101 3.960 -0.019 0.000 0.111 134 G C 0.719 175.765 174.900 0.244 0.000 1.198 134 G CA 0.250 45.529 45.100 0.298 0.000 1.382 134 G HN 0.152 nan 8.290 nan 0.000 0.663 135 G N 0.493 109.367 108.800 0.123 0.000 2.433 135 G HA2 -0.032 3.917 3.960 -0.019 0.000 0.216 135 G HA3 -0.032 3.917 3.960 -0.019 0.000 0.216 135 G C 1.907 176.794 174.900 -0.023 0.000 1.186 135 G CA 1.442 46.570 45.100 0.047 0.000 0.779 135 G HN 0.868 nan 8.290 nan 0.000 0.543 136 L N 0.598 121.753 121.223 -0.114 0.000 2.079 136 L HA 0.073 4.402 4.340 -0.019 0.000 0.210 136 L C 2.637 179.418 176.870 -0.150 0.000 1.081 136 L CA 1.968 56.617 54.840 -0.317 0.000 0.752 136 L CB -0.363 41.438 42.059 -0.429 0.000 0.896 136 L HN 0.250 nan 8.230 nan 0.000 0.433 137 G N -0.995 107.797 108.800 -0.013 0.000 2.459 137 G HA2 -0.184 3.765 3.960 -0.019 0.000 0.213 137 G HA3 -0.184 3.765 3.960 -0.019 0.000 0.213 137 G C 1.605 176.586 174.900 0.134 0.000 1.155 137 G CA 0.231 45.356 45.100 0.042 0.000 0.811 137 G HN 0.203 nan 8.290 nan 0.000 0.534 138 R N 0.506 121.119 120.500 0.188 0.000 2.096 138 R HA 0.062 4.391 4.340 -0.019 0.000 0.235 138 R C 2.315 178.630 176.300 0.025 0.000 1.127 138 R CA 0.916 57.079 56.100 0.104 0.000 0.968 138 R CB -1.183 29.129 30.300 0.019 0.000 0.861 138 R HN 0.337 nan 8.270 nan 0.000 0.440 139 L N 0.519 121.695 121.223 -0.077 0.000 1.971 139 L HA -0.131 4.198 4.340 -0.019 0.000 0.215 139 L C 2.219 178.803 176.870 -0.476 0.000 1.072 139 L CA 2.510 57.185 54.840 -0.276 0.000 0.758 139 L CB -1.093 40.774 42.059 -0.319 0.000 0.889 139 L HN 0.256 nan 8.230 nan 0.000 0.433 140 A N -0.636 121.975 122.820 -0.349 0.000 1.892 140 A HA -0.254 4.055 4.320 -0.019 0.000 0.218 140 A C 2.424 180.031 177.584 0.039 0.000 1.188 140 A CA 2.418 54.302 52.037 -0.255 0.000 0.631 140 A CB -1.354 17.453 19.000 -0.321 0.000 0.822 140 A HN 0.620 nan 8.150 nan 0.000 0.447 141 A N -1.626 121.279 122.820 0.142 0.000 1.969 141 A HA -0.115 4.193 4.320 -0.019 0.000 0.218 141 A C 2.273 179.937 177.584 0.132 0.000 1.169 141 A CA 1.613 53.773 52.037 0.206 0.000 0.635 141 A CB -1.083 18.023 19.000 0.177 0.000 0.810 141 A HN 0.609 nan 8.150 nan 0.000 0.445 142 C N -1.782 117.593 119.300 0.126 0.000 2.457 142 C HA 0.035 4.483 4.460 -0.019 0.000 0.278 142 C C 2.345 177.482 174.990 0.246 0.000 1.309 142 C CA 0.342 59.471 59.018 0.186 0.000 1.735 142 C CB -1.513 26.367 27.740 0.234 0.000 1.992 142 C HN 0.622 nan 8.230 nan 0.000 0.493 143 F N 0.699 120.623 119.950 -0.044 0.000 2.126 143 F HA -0.120 4.396 4.527 -0.019 0.000 0.299 143 F C 2.111 177.851 175.800 -0.101 0.000 1.096 143 F CA 1.164 59.087 58.000 -0.129 0.000 1.255 143 F CB -1.318 37.469 39.000 -0.356 0.000 0.997 143 F HN 0.087 nan 8.300 nan 0.000 0.479 144 L N 0.357 121.662 121.223 0.137 0.000 2.012 144 L HA -0.250 4.079 4.340 -0.019 0.000 0.210 144 L C 2.212 179.093 176.870 0.018 0.000 1.073 144 L CA 2.160 57.038 54.840 0.063 0.000 0.748 144 L CB -1.314 40.793 42.059 0.081 0.000 0.891 144 L HN 0.162 nan 8.230 nan 0.000 0.431 145 D N -1.712 118.702 120.400 0.025 0.000 2.104 145 D HA -0.177 4.451 4.640 -0.019 0.000 0.194 145 D C 2.061 178.368 176.300 0.010 0.000 0.994 145 D CA 1.507 55.507 54.000 -0.001 0.000 0.830 145 D CB 0.154 40.952 40.800 -0.004 0.000 0.959 145 D HN 0.232 nan 8.370 nan 0.000 0.452 146 S N -0.808 114.910 115.700 0.029 0.000 2.428 146 S HA -0.034 4.425 4.470 -0.019 0.000 0.230 146 S C 1.910 176.507 174.600 -0.005 0.000 1.014 146 S CA 0.601 58.809 58.200 0.013 0.000 0.957 146 S CB -0.164 63.042 63.200 0.011 0.000 0.784 146 S HN 0.333 nan 8.310 nan 0.000 0.499 147 M N 1.082 120.674 119.600 -0.013 0.000 2.175 147 M HA -0.031 4.438 4.480 -0.019 0.000 0.264 147 M C 2.429 178.717 176.300 -0.019 0.000 1.063 147 M CA 1.322 56.612 55.300 -0.017 0.000 1.119 147 M CB -0.439 32.139 32.600 -0.037 0.000 1.377 147 M HN 0.386 nan 8.290 nan 0.000 0.415 148 A N -0.214 122.594 122.820 -0.020 0.000 1.872 148 A HA -0.115 4.193 4.320 -0.019 0.000 0.214 148 A C 2.179 179.763 177.584 0.001 0.000 1.187 148 A CA 2.010 54.036 52.037 -0.017 0.000 0.614 148 A CB -1.127 17.851 19.000 -0.038 0.000 0.826 148 A HN 0.413 nan 8.150 nan 0.000 0.442 149 T N 0.459 115.020 114.554 0.012 0.000 2.881 149 T HA -0.015 4.324 4.350 -0.019 0.000 0.270 149 T C 1.335 176.050 174.700 0.025 0.000 1.068 149 T CA 1.088 63.207 62.100 0.032 0.000 1.131 149 T CB -0.281 68.617 68.868 0.049 0.000 0.871 149 T HN 0.329 nan 8.240 nan 0.000 0.479 150 L N 0.496 121.729 121.223 0.016 0.000 2.629 150 L HA 0.286 4.615 4.340 -0.019 0.000 0.230 150 L C 1.592 178.473 176.870 0.018 0.000 1.151 150 L CA -0.052 54.798 54.840 0.016 0.000 0.924 150 L CB -0.492 41.576 42.059 0.016 0.000 1.137 150 L HN 0.410 nan 8.230 nan 0.000 0.457 151 G N 0.962 109.773 108.800 0.018 0.000 2.246 151 G HA2 -0.257 3.692 3.960 -0.019 0.000 0.273 151 G HA3 -0.257 3.692 3.960 -0.019 0.000 0.273 151 G C -0.290 174.622 174.900 0.020 0.000 1.055 151 G CA -0.141 44.976 45.100 0.029 0.000 0.851 151 G HN 0.116 nan 8.290 nan 0.000 0.500 152 L N 0.199 121.413 121.223 -0.015 0.000 2.325 152 L HA 0.755 5.084 4.340 -0.019 0.000 0.279 152 L C 0.993 177.720 176.870 -0.239 0.000 1.054 152 L CA -0.513 54.276 54.840 -0.085 0.000 0.804 152 L CB 1.475 43.507 42.059 -0.045 0.000 1.200 152 L HN 0.509 nan 8.230 nan 0.000 0.436 153 A N 3.045 125.588 122.820 -0.462 0.000 2.981 153 A HA 0.635 4.944 4.320 -0.019 0.000 0.280 153 A C 0.241 177.448 177.584 -0.628 0.000 1.743 153 A CA 0.004 51.490 52.037 -0.919 0.000 1.430 153 A CB -0.912 17.460 19.000 -1.046 0.000 1.085 153 A HN 0.708 nan 8.150 nan 0.000 0.597 154 A N 1.624 124.101 122.820 -0.572 0.000 2.365 154 A HA 0.778 5.087 4.320 -0.019 0.000 0.318 154 A C -1.219 176.037 177.584 -0.546 0.000 1.091 154 A CA -0.468 51.302 52.037 -0.446 0.000 0.763 154 A CB 0.884 19.730 19.000 -0.258 0.000 1.248 154 A HN 0.596 nan 8.150 nan 0.000 0.442 155 Y N 0.659 120.874 120.300 -0.142 0.000 2.332 155 Y HA 0.509 5.048 4.550 -0.019 0.000 0.326 155 Y C 0.896 176.913 175.900 0.195 0.000 0.978 155 Y CA -0.483 57.629 58.100 0.019 0.000 1.205 155 Y CB 2.139 40.688 38.460 0.149 0.000 1.131 155 Y HN 0.841 nan 8.280 nan 0.000 0.462 156 G N 2.557 111.472 108.800 0.191 0.000 2.370 156 G HA2 0.379 4.327 3.960 -0.019 0.000 0.272 156 G HA3 0.379 4.327 3.960 -0.019 0.000 0.272 156 G C -1.551 173.454 174.900 0.175 0.000 1.208 156 G CA -0.127 45.154 45.100 0.301 0.000 0.856 156 G HN 0.523 nan 8.290 nan 0.000 0.500 157 Y N 0.985 121.553 120.300 0.446 0.000 2.361 157 Y HA 0.619 5.158 4.550 -0.019 0.000 0.337 157 Y C 0.735 176.953 175.900 0.530 0.000 0.965 157 Y CA 0.086 58.402 58.100 0.360 0.000 1.091 157 Y CB 2.682 41.377 38.460 0.392 0.000 1.182 157 Y HN 0.862 nan 8.280 nan 0.000 0.450 158 G N 2.353 111.473 108.800 0.533 0.000 2.782 158 G HA2 0.596 4.545 3.960 -0.019 0.000 0.304 158 G HA3 0.596 4.545 3.960 -0.019 0.000 0.304 158 G C -1.690 173.438 174.900 0.379 0.000 1.315 158 G CA -0.888 44.535 45.100 0.537 0.000 0.791 158 G HN 0.462 nan 8.290 nan 0.000 0.519 159 I N 0.644 121.320 120.570 0.177 0.000 2.392 159 I HA 0.390 4.549 4.170 -0.019 0.000 0.295 159 I C 0.494 176.541 176.117 -0.118 0.000 0.985 159 I CA -0.644 60.671 61.300 0.026 0.000 1.221 159 I CB 1.839 39.636 38.000 -0.339 0.000 1.366 159 I HN 0.275 nan 8.210 nan 0.000 0.467 160 R N 6.069 126.603 120.500 0.056 0.000 2.308 160 R HA 0.230 4.559 4.340 -0.019 0.000 0.325 160 R C -1.383 174.987 176.300 0.117 0.000 1.161 160 R CA -0.405 55.739 56.100 0.074 0.000 1.022 160 R CB 0.121 30.411 30.300 -0.017 0.000 1.091 160 R HN 0.388 nan 8.270 nan 0.000 0.497 161 Y N 2.191 122.651 120.300 0.267 0.000 2.319 161 Y HA 0.017 4.555 4.550 -0.019 0.000 0.328 161 Y C 1.484 177.554 175.900 0.284 0.000 1.133 161 Y CA -0.334 57.916 58.100 0.250 0.000 1.265 161 Y CB 1.172 39.767 38.460 0.226 0.000 1.218 161 Y HN 0.567 nan 8.280 nan 0.000 0.508 162 E N 1.536 121.904 120.200 0.281 0.000 2.230 162 E HA -0.009 4.330 4.350 -0.019 0.000 0.192 162 E C -0.722 175.760 176.600 -0.197 0.000 0.987 162 E CA 0.707 57.075 56.400 -0.055 0.000 0.841 162 E CB 0.102 29.543 29.700 -0.433 0.000 0.783 162 E HN 0.356 nan 8.360 nan 0.000 0.481 163 F N 1.237 121.397 119.950 0.350 0.000 2.477 163 F HA 0.502 5.017 4.527 -0.019 0.000 0.335 163 F C 0.924 176.803 175.800 0.131 0.000 1.130 163 F CA -0.945 57.222 58.000 0.278 0.000 0.948 163 F CB 1.991 41.089 39.000 0.164 0.000 1.154 163 F HN -0.123 nan 8.300 nan 0.000 0.439 164 G N 2.509 111.433 108.800 0.205 0.000 2.630 164 G HA2 0.300 4.249 3.960 -0.019 0.000 0.223 164 G HA3 0.300 4.249 3.960 -0.019 0.000 0.223 164 G C -0.367 174.496 174.900 -0.062 0.000 1.434 164 G CA -0.598 44.454 45.100 -0.081 0.000 1.057 164 G HN 0.516 nan 8.290 nan 0.000 0.570 165 I N 1.594 122.063 120.570 -0.169 0.000 2.529 165 I HA 0.214 4.373 4.170 -0.019 0.000 0.284 165 I C 0.518 176.564 176.117 -0.118 0.000 1.082 165 I CA -0.646 60.543 61.300 -0.186 0.000 1.406 165 I CB 0.424 38.220 38.000 -0.340 0.000 1.405 165 I HN 0.379 nan 8.210 nan 0.000 0.548 166 F N 6.828 126.787 119.950 0.015 0.000 2.628 166 F HA 0.079 4.595 4.527 -0.019 0.000 0.346 166 F C -0.089 175.756 175.800 0.076 0.000 1.188 166 F CA -0.483 57.544 58.000 0.046 0.000 1.376 166 F CB -0.523 38.489 39.000 0.021 0.000 1.104 166 F HN 0.455 nan 8.300 nan 0.000 0.616 167 N N 1.279 120.169 118.700 0.317 0.000 2.438 167 N HA 0.174 4.902 4.740 -0.019 0.000 0.282 167 N C -1.228 174.522 175.510 0.400 0.000 1.037 167 N CA -0.905 52.291 53.050 0.243 0.000 0.942 167 N CB 1.203 39.818 38.487 0.213 0.000 1.136 167 N HN 0.686 nan 8.380 nan 0.000 0.481 168 Q N 2.349 122.354 119.800 0.341 0.000 2.278 168 Q HA 0.244 4.573 4.340 -0.019 0.000 0.257 168 Q C -1.140 175.011 176.000 0.251 0.000 0.928 168 Q CA -0.612 55.420 55.803 0.382 0.000 0.932 168 Q CB 0.850 29.823 28.738 0.393 0.000 1.221 168 Q HN 0.345 nan 8.270 nan 0.000 0.434 169 K N 4.063 124.586 120.400 0.205 0.000 2.270 169 K HA 0.458 4.766 4.320 -0.019 0.000 0.255 169 K C -1.646 175.025 176.600 0.119 0.000 0.936 169 K CA -0.524 55.855 56.287 0.153 0.000 0.809 169 K CB 1.252 33.830 32.500 0.130 0.000 1.131 169 K HN 0.563 nan 8.250 nan 0.000 0.427 170 I N 4.078 124.702 120.570 0.090 0.000 2.339 170 I HA 0.321 4.479 4.170 -0.019 0.000 0.290 170 I C -1.036 175.116 176.117 0.058 0.000 0.994 170 I CA -0.104 61.221 61.300 0.042 0.000 1.191 170 I CB 1.267 39.252 38.000 -0.025 0.000 1.343 170 I HN 0.597 nan 8.210 nan 0.000 0.458 171 C N 5.105 124.457 119.300 0.086 0.000 2.322 171 C HA 0.637 5.085 4.460 -0.019 0.000 0.324 171 C C 1.046 176.127 174.990 0.151 0.000 1.249 171 C CA -0.596 58.480 59.018 0.097 0.000 1.453 171 C CB 0.277 28.070 27.740 0.087 0.000 2.145 171 C HN 1.073 nan 8.230 nan 0.000 0.466 172 G N 2.494 111.360 108.800 0.110 0.000 2.249 172 G HA2 0.123 4.071 3.960 -0.019 0.000 0.273 172 G HA3 0.123 4.071 3.960 -0.019 0.000 0.273 172 G C 1.084 176.009 174.900 0.042 0.000 1.036 172 G CA 0.959 46.138 45.100 0.132 0.000 0.824 172 G HN 2.363 nan 8.290 nan 0.000 0.504 173 G N -2.826 105.931 108.800 -0.072 0.000 2.199 173 G HA2 -0.288 3.661 3.960 -0.019 0.000 0.254 173 G HA3 -0.288 3.661 3.960 -0.019 0.000 0.254 173 G C 0.337 175.001 174.900 -0.392 0.000 0.982 173 G CA 0.660 45.591 45.100 -0.282 0.000 0.632 173 G HN 1.242 nan 8.290 nan 0.000 0.529 174 W N 1.221 122.463 121.300 -0.097 0.000 2.469 174 W HA 0.668 5.317 4.660 -0.019 0.000 0.320 174 W C 0.648 177.106 176.519 -0.102 0.000 1.086 174 W CA -0.923 56.359 57.345 -0.105 0.000 1.211 174 W CB 0.823 30.241 29.460 -0.069 0.000 1.298 174 W HN 0.275 nan 8.180 nan 0.000 0.525 175 Q N 3.157 123.019 119.800 0.104 0.000 2.286 175 Q HA 0.091 4.420 4.340 -0.019 0.000 0.290 175 Q C -0.595 175.452 176.000 0.078 0.000 1.049 175 Q CA 0.480 56.330 55.803 0.078 0.000 0.923 175 Q CB 0.440 29.219 28.738 0.068 0.000 1.183 175 Q HN 0.299 nan 8.270 nan 0.000 0.383 176 M N 3.586 123.223 119.600 0.062 0.000 2.197 176 M HA 0.337 4.806 4.480 -0.019 0.000 0.301 176 M C -1.131 175.175 176.300 0.010 0.000 0.987 176 M CA -0.715 54.594 55.300 0.016 0.000 0.921 176 M CB 1.658 34.282 32.600 0.039 0.000 1.569 176 M HN 0.576 nan 8.290 nan 0.000 0.431 177 E N 1.602 121.734 120.200 -0.113 0.000 2.343 177 E HA 0.483 4.821 4.350 -0.019 0.000 0.269 177 E C -0.650 175.944 176.600 -0.010 0.000 1.047 177 E CA -0.131 56.169 56.400 -0.167 0.000 0.874 177 E CB 1.356 30.712 29.700 -0.573 0.000 1.033 177 E HN 0.411 nan 8.360 nan 0.000 0.409 178 E N 0.246 120.522 120.200 0.127 0.000 2.367 178 E HA 0.595 4.933 4.350 -0.019 0.000 0.273 178 E C -1.279 175.407 176.600 0.143 0.000 0.903 178 E CA -1.234 55.231 56.400 0.108 0.000 0.764 178 E CB 1.896 31.677 29.700 0.135 0.000 1.252 178 E HN 0.554 nan 8.360 nan 0.000 0.446 179 A N 1.850 124.712 122.820 0.070 0.000 2.450 179 A HA 0.101 4.410 4.320 -0.019 0.000 0.255 179 A C -0.243 177.491 177.584 0.250 0.000 1.096 179 A CA -0.024 52.047 52.037 0.056 0.000 0.778 179 A CB 0.150 19.021 19.000 -0.213 0.000 1.031 179 A HN 0.576 nan 8.150 nan 0.000 0.494 180 D N 1.845 122.462 120.400 0.360 0.000 2.422 180 D HA 0.132 4.761 4.640 -0.019 0.000 0.227 180 D C -0.469 176.194 176.300 0.604 0.000 1.190 180 D CA -0.050 54.187 54.000 0.395 0.000 0.905 180 D CB 0.463 41.431 40.800 0.281 0.000 1.034 180 D HN 0.352 nan 8.370 nan 0.000 0.507 181 D N 4.524 125.227 120.400 0.505 0.000 3.057 181 D HA -0.003 4.626 4.640 -0.019 0.000 0.246 181 D C 1.048 177.519 176.300 0.285 0.000 1.238 181 D CA -0.471 53.774 54.000 0.408 0.000 0.949 181 D CB -0.126 40.892 40.800 0.363 0.000 1.086 181 D HN 0.633 nan 8.370 nan 0.000 0.487 182 W N 0.823 122.193 121.300 0.116 0.000 2.465 182 W HA -0.072 4.577 4.660 -0.019 0.000 0.268 182 W C 0.549 177.136 176.519 0.114 0.000 1.242 182 W CA 0.092 57.512 57.345 0.124 0.000 1.248 182 W CB -0.905 28.622 29.460 0.113 0.000 1.118 182 W HN 0.115 nan 8.180 nan 0.000 0.587 183 L N 0.874 121.737 121.223 -0.600 0.000 2.558 183 L HA 0.075 4.404 4.340 -0.019 0.000 0.225 183 L C 2.853 179.572 176.870 -0.251 0.000 1.128 183 L CA 0.288 54.756 54.840 -0.620 0.000 0.868 183 L CB -0.673 40.882 42.059 -0.841 0.000 1.006 183 L HN -0.085 nan 8.230 nan 0.000 0.454 184 R N 0.484 120.909 120.500 -0.126 0.000 2.162 184 R HA -0.267 4.062 4.340 -0.019 0.000 0.245 184 R C 1.709 177.850 176.300 -0.265 0.000 1.129 184 R CA 2.320 58.318 56.100 -0.171 0.000 0.940 184 R CB -0.374 29.842 30.300 -0.141 0.000 0.875 184 R HN 0.270 nan 8.270 nan 0.000 0.437 185 Y N -0.417 119.899 120.300 0.026 0.000 2.529 185 Y HA 0.257 4.796 4.550 -0.019 0.000 0.290 185 Y C 0.973 176.846 175.900 -0.044 0.000 1.177 185 Y CA 0.616 58.735 58.100 0.031 0.000 1.305 185 Y CB 0.610 39.208 38.460 0.229 0.000 1.047 185 Y HN 0.507 nan 8.280 nan 0.000 0.522 186 G N 0.987 109.826 108.800 0.064 0.000 2.612 186 G HA2 -0.227 3.722 3.960 -0.019 0.000 0.686 186 G HA3 -0.227 3.722 3.960 -0.019 0.000 0.686 186 G C -1.103 173.866 174.900 0.114 0.000 1.274 186 G CA -0.648 44.461 45.100 0.014 0.000 0.849 186 G HN 0.325 nan 8.290 nan 0.000 0.595 187 N N 0.958 119.687 118.700 0.049 0.000 2.540 187 N HA 0.553 5.282 4.740 -0.019 0.000 0.275 187 N C -1.333 174.196 175.510 0.031 0.000 1.053 187 N CA -1.881 51.220 53.050 0.085 0.000 0.876 187 N CB 2.048 40.534 38.487 -0.001 0.000 1.284 187 N HN 0.286 nan 8.380 nan 0.000 0.518 188 P HA -0.004 nan 4.420 nan 0.000 0.237 188 P C 0.014 177.083 177.300 -0.384 0.000 1.178 188 P CA 0.643 63.483 63.100 -0.433 0.000 0.766 188 P CB -0.013 31.078 31.700 -1.015 0.000 0.876 189 W N 1.302 122.645 121.300 0.072 0.000 3.177 189 W HA 0.145 4.794 4.660 -0.019 0.000 0.309 189 W C 0.938 177.511 176.519 0.090 0.000 1.224 189 W CA -0.553 56.820 57.345 0.047 0.000 1.718 189 W CB 0.195 29.672 29.460 0.028 0.000 1.078 189 W HN -0.021 nan 8.180 nan 0.000 0.618 190 E N 1.376 121.756 120.200 0.299 0.000 2.227 190 E HA 0.453 4.792 4.350 -0.019 0.000 0.268 190 E C -0.725 176.064 176.600 0.317 0.000 0.990 190 E CA -1.038 55.550 56.400 0.314 0.000 0.856 190 E CB 1.643 31.538 29.700 0.325 0.000 1.159 190 E HN -0.255 nan 8.360 nan 0.000 0.401 191 K N 1.425 122.030 120.400 0.342 0.000 2.575 191 K HA 0.398 4.707 4.320 -0.019 0.000 0.236 191 K C -1.027 175.638 176.600 0.108 0.000 0.976 191 K CA -0.368 56.062 56.287 0.237 0.000 0.985 191 K CB 1.127 33.793 32.500 0.278 0.000 1.198 191 K HN 0.674 nan 8.250 nan 0.000 0.464 192 A N 4.015 126.815 122.820 -0.033 0.000 2.565 192 A HA 0.154 4.462 4.320 -0.019 0.000 0.237 192 A C -0.232 177.176 177.584 -0.294 0.000 1.053 192 A CA 0.254 51.973 52.037 -0.530 0.000 0.755 192 A CB 0.165 18.828 19.000 -0.561 0.000 0.980 192 A HN 0.736 nan 8.150 nan 0.000 0.506 193 R N 3.486 123.816 120.500 -0.282 0.000 2.629 193 R HA 0.196 4.525 4.340 -0.019 0.000 0.277 193 R C -2.465 173.752 176.300 -0.138 0.000 1.637 193 R CA -1.364 54.673 56.100 -0.105 0.000 1.663 193 R CB 1.192 31.604 30.300 0.187 0.000 1.228 193 R HN 0.576 nan 8.270 nan 0.000 0.632 194 P HA -0.147 nan 4.420 nan 0.000 0.221 194 P C 0.560 177.784 177.300 -0.127 0.000 1.150 194 P CA 1.029 64.058 63.100 -0.117 0.000 0.800 194 P CB 0.406 32.040 31.700 -0.110 0.000 0.787 195 E N -0.166 119.876 120.200 -0.265 0.000 2.169 195 E HA -0.210 4.128 4.350 -0.019 0.000 0.202 195 E C 0.788 177.154 176.600 -0.391 0.000 1.016 195 E CA 1.307 57.449 56.400 -0.430 0.000 0.817 195 E CB -1.101 28.148 29.700 -0.751 0.000 0.736 195 E HN 0.290 nan 8.360 nan 0.000 0.462 196 F N 1.163 121.119 119.950 0.010 0.000 2.639 196 F HA 0.218 4.734 4.527 -0.019 0.000 0.300 196 F C 0.410 176.284 175.800 0.124 0.000 1.109 196 F CA -0.374 57.660 58.000 0.056 0.000 1.335 196 F CB -0.134 38.895 39.000 0.048 0.000 1.014 196 F HN -0.265 nan 8.300 nan 0.000 0.537 197 T N 2.666 117.351 114.554 0.219 0.000 2.946 197 T HA 0.282 4.620 4.350 -0.019 0.000 0.311 197 T C -0.207 174.590 174.700 0.161 0.000 1.063 197 T CA 0.435 62.663 62.100 0.213 0.000 1.139 197 T CB 0.611 69.557 68.868 0.130 0.000 0.994 197 T HN -0.158 nan 8.240 nan 0.000 0.547 198 L N 4.736 126.032 121.223 0.122 0.000 2.393 198 L HA 0.575 4.904 4.340 -0.019 0.000 0.260 198 L C -2.289 174.557 176.870 -0.040 0.000 1.002 198 L CA -2.167 52.688 54.840 0.025 0.000 0.818 198 L CB 2.183 44.212 42.059 -0.048 0.000 1.369 198 L HN 0.393 nan 8.230 nan 0.000 0.412 199 P HA 0.478 nan 4.420 nan 0.000 0.287 199 P C -1.386 175.798 177.300 -0.193 0.000 1.270 199 P CA -0.504 62.513 63.100 -0.138 0.000 0.844 199 P CB 2.050 33.637 31.700 -0.188 0.000 1.068 200 V N 2.877 122.667 119.914 -0.207 0.000 2.656 200 V HA 0.335 4.443 4.120 -0.019 0.000 0.307 200 V C 0.100 176.010 176.094 -0.306 0.000 1.051 200 V CA -0.619 61.557 62.300 -0.208 0.000 0.893 200 V CB 1.500 33.247 31.823 -0.127 0.000 0.999 200 V HN 0.604 nan 8.190 nan 0.000 0.426 201 H N 3.693 122.601 119.070 -0.269 0.000 2.463 201 H HA 0.604 5.149 4.556 -0.019 0.000 0.332 201 H C -1.349 173.678 175.328 -0.502 0.000 1.127 201 H CA -0.130 55.681 56.048 -0.395 0.000 1.238 201 H CB 1.869 31.176 29.762 -0.758 0.000 1.478 201 H HN 0.458 nan 8.280 nan 0.000 0.499 202 F N 0.490 120.466 119.950 0.044 0.000 2.588 202 F HA 0.202 4.717 4.527 -0.019 0.000 0.314 202 F C -0.107 175.774 175.800 0.135 0.000 1.069 202 F CA -0.502 57.530 58.000 0.054 0.000 0.931 202 F CB 0.935 39.881 39.000 -0.089 0.000 1.260 202 F HN 0.593 nan 8.300 nan 0.000 0.465 203 Y N 0.306 120.904 120.300 0.496 0.000 2.887 203 Y HA -0.057 4.482 4.550 -0.019 0.000 0.467 203 Y C 1.467 177.616 175.900 0.415 0.000 1.191 203 Y CA 0.756 59.075 58.100 0.365 0.000 2.537 203 Y CB -1.949 36.654 38.460 0.237 0.000 1.225 203 Y HN 1.265 nan 8.280 nan 0.000 0.630 204 G N 0.704 109.770 108.800 0.443 0.000 2.598 204 G HA2 0.179 4.128 3.960 -0.019 0.000 0.244 204 G HA3 0.179 4.128 3.960 -0.019 0.000 0.244 204 G C -0.572 174.543 174.900 0.359 0.000 1.302 204 G CA 1.257 46.540 45.100 0.305 0.000 0.903 204 G HN 1.410 nan 8.290 nan 0.000 0.575 205 R N -2.965 117.742 120.500 0.346 0.000 2.747 205 R HA 0.747 5.076 4.340 -0.019 0.000 0.272 205 R C -1.235 175.241 176.300 0.293 0.000 1.032 205 R CA -0.735 55.531 56.100 0.277 0.000 0.896 205 R CB 1.004 31.413 30.300 0.183 0.000 1.253 205 R HN 1.047 nan 8.270 nan 0.000 0.461 206 V N 1.210 121.232 119.914 0.181 0.000 2.483 206 V HA 0.441 4.550 4.120 -0.019 0.000 0.295 206 V C -0.418 175.717 176.094 0.068 0.000 1.035 206 V CA -0.554 61.803 62.300 0.096 0.000 0.896 206 V CB 1.350 33.185 31.823 0.020 0.000 0.986 206 V HN 0.859 nan 8.190 nan 0.000 0.447 207 E N 3.814 124.020 120.200 0.010 0.000 2.199 207 E HA 0.471 4.810 4.350 -0.019 0.000 0.269 207 E C -1.134 175.427 176.600 -0.065 0.000 0.899 207 E CA -0.842 55.581 56.400 0.037 0.000 0.772 207 E CB 1.782 31.511 29.700 0.048 0.000 1.155 207 E HN 0.702 nan 8.360 nan 0.000 0.408 208 H N 3.087 122.172 119.070 0.026 0.000 2.724 208 H HA 0.217 4.761 4.556 -0.019 0.000 0.278 208 H C -0.609 174.728 175.328 0.015 0.000 1.159 208 H CA -0.343 55.715 56.048 0.016 0.000 1.254 208 H CB 1.202 30.970 29.762 0.009 0.000 1.412 208 H HN 0.601 nan 8.280 nan 0.000 0.488 209 T N 0.244 114.835 114.554 0.062 0.000 2.847 209 T HA 0.341 4.680 4.350 -0.019 0.000 0.291 209 T C 0.707 175.428 174.700 0.034 0.000 0.998 209 T CA -0.197 61.931 62.100 0.047 0.000 0.967 209 T CB 2.289 71.175 68.868 0.030 0.000 0.954 209 T HN 0.652 nan 8.240 nan 0.000 0.441 210 S N 3.048 118.770 115.700 0.038 0.000 4.157 210 S HA -0.401 4.058 4.470 -0.019 0.000 0.552 210 S C 1.818 176.435 174.600 0.029 0.000 1.867 210 S CA 2.192 60.409 58.200 0.028 0.000 4.248 210 S CB -1.861 61.351 63.200 0.020 0.000 0.222 210 S HN 1.140 nan 8.310 nan 0.000 0.457 211 Q N 1.958 121.771 119.800 0.022 0.000 2.123 211 Q HA 0.393 4.722 4.340 -0.019 0.000 0.199 211 Q C 1.223 177.240 176.000 0.028 0.000 0.966 211 Q CA 1.072 56.888 55.803 0.022 0.000 0.845 211 Q CB -0.219 28.528 28.738 0.016 0.000 0.907 211 Q HN 1.141 nan 8.270 nan 0.000 0.439 212 G N -0.026 108.786 108.800 0.020 0.000 2.548 212 G HA2 0.519 4.468 3.960 -0.019 0.000 0.301 212 G HA3 0.519 4.468 3.960 -0.019 0.000 0.301 212 G C -1.761 173.110 174.900 -0.050 0.000 1.349 212 G CA -0.571 44.536 45.100 0.011 0.000 0.792 212 G HN 0.333 nan 8.290 nan 0.000 0.481 213 A N -0.293 122.450 122.820 -0.128 0.000 2.407 213 A HA 0.723 5.031 4.320 -0.019 0.000 0.248 213 A C 0.082 177.565 177.584 -0.169 0.000 1.082 213 A CA 0.275 52.119 52.037 -0.322 0.000 0.785 213 A CB 0.977 19.722 19.000 -0.424 0.000 1.020 213 A HN 1.039 nan 8.150 nan 0.000 0.489 214 K N 1.388 121.698 120.400 -0.150 0.000 2.507 214 K HA 0.380 4.689 4.320 -0.019 0.000 0.251 214 K C -1.919 174.710 176.600 0.049 0.000 0.943 214 K CA -0.343 55.919 56.287 -0.041 0.000 0.794 214 K CB 0.932 33.410 32.500 -0.036 0.000 1.188 214 K HN 0.673 nan 8.250 nan 0.000 0.428 215 W N 6.554 127.776 121.300 -0.131 0.000 2.311 215 W HA 0.518 5.167 4.660 -0.019 0.000 0.317 215 W C -1.283 175.192 176.519 -0.073 0.000 1.065 215 W CA -1.097 56.183 57.345 -0.107 0.000 1.364 215 W CB 0.471 29.849 29.460 -0.138 0.000 1.233 215 W HN 0.352 nan 8.180 nan 0.000 0.409 216 V N 6.539 126.507 119.914 0.090 0.000 2.994 216 V HA 0.316 4.425 4.120 -0.019 0.000 0.318 216 V C -0.206 175.885 176.094 -0.004 0.000 1.085 216 V CA -0.524 61.779 62.300 0.005 0.000 0.998 216 V CB 1.839 33.694 31.823 0.054 0.000 1.063 216 V HN 0.468 nan 8.190 nan 0.000 0.447 217 D N 1.669 122.080 120.400 0.017 0.000 2.720 217 D HA -0.144 4.485 4.640 -0.019 0.000 0.229 217 D C 0.482 176.828 176.300 0.077 0.000 1.198 217 D CA 1.232 55.275 54.000 0.071 0.000 0.639 217 D CB -1.205 39.653 40.800 0.097 0.000 1.003 217 D HN 0.811 nan 8.370 nan 0.000 0.411 218 T N -2.975 111.567 114.554 -0.020 0.000 2.913 218 T HA 0.335 4.674 4.350 -0.019 0.000 0.287 218 T C 0.284 175.041 174.700 0.097 0.000 1.008 218 T CA -0.885 61.191 62.100 -0.040 0.000 1.067 218 T CB 2.864 71.515 68.868 -0.362 0.000 0.996 218 T HN 0.250 nan 8.240 nan 0.000 0.513 219 Q N 1.101 121.017 119.800 0.193 0.000 2.227 219 Q HA 0.494 4.823 4.340 -0.019 0.000 0.245 219 Q C -1.514 174.530 176.000 0.074 0.000 0.926 219 Q CA -0.785 55.129 55.803 0.185 0.000 0.895 219 Q CB 1.457 30.380 28.738 0.308 0.000 1.230 219 Q HN 0.618 nan 8.270 nan 0.000 0.450 220 V N 3.121 123.011 119.914 -0.040 0.000 2.495 220 V HA 0.454 4.563 4.120 -0.019 0.000 0.298 220 V C -0.474 175.625 176.094 0.008 0.000 1.031 220 V CA -0.685 61.524 62.300 -0.152 0.000 0.871 220 V CB 1.883 33.511 31.823 -0.325 0.000 0.988 220 V HN 0.645 nan 8.190 nan 0.000 0.432 221 V N 5.791 125.759 119.914 0.089 0.000 2.680 221 V HA 0.516 4.625 4.120 -0.019 0.000 0.309 221 V C -0.293 175.886 176.094 0.143 0.000 1.052 221 V CA -0.624 61.777 62.300 0.168 0.000 0.908 221 V CB 2.041 34.066 31.823 0.336 0.000 1.001 221 V HN 0.632 nan 8.190 nan 0.000 0.431 222 L N 3.558 124.871 121.223 0.150 0.000 2.325 222 L HA 0.761 5.090 4.340 -0.019 0.000 0.279 222 L C 0.360 177.409 176.870 0.299 0.000 1.054 222 L CA -0.451 54.477 54.840 0.147 0.000 0.804 222 L CB 1.604 43.724 42.059 0.102 0.000 1.200 222 L HN 0.743 nan 8.230 nan 0.000 0.436 223 A N 4.994 127.951 122.820 0.228 0.000 2.258 223 A HA 0.597 4.906 4.320 -0.019 0.000 0.316 223 A C -0.472 177.382 177.584 0.450 0.000 1.279 223 A CA -0.459 51.757 52.037 0.297 0.000 0.876 223 A CB 0.822 19.608 19.000 -0.356 0.000 1.170 223 A HN 0.785 nan 8.150 nan 0.000 0.520 224 M N 6.454 126.382 119.600 0.547 0.000 2.101 224 M HA 0.412 4.881 4.480 -0.019 0.000 0.340 224 M C -2.546 174.009 176.300 0.425 0.000 1.057 224 M CA -2.191 53.361 55.300 0.420 0.000 0.984 224 M CB 1.790 34.578 32.600 0.313 0.000 1.560 224 M HN 0.347 nan 8.290 nan 0.000 0.435 225 P HA 0.123 nan 4.420 nan 0.000 0.276 225 P C -1.869 175.401 177.300 -0.049 0.000 1.230 225 P CA 0.226 63.275 63.100 -0.085 0.000 0.776 225 P CB 0.278 31.843 31.700 -0.225 0.000 0.888 226 Y N 1.216 121.453 120.300 -0.104 0.000 2.338 226 Y HA 0.284 4.823 4.550 -0.019 0.000 0.333 226 Y C 0.202 176.095 175.900 -0.012 0.000 0.968 226 Y CA -0.373 57.727 58.100 -0.000 0.000 1.123 226 Y CB 1.523 40.012 38.460 0.048 0.000 1.165 226 Y HN 0.237 nan 8.280 nan 0.000 0.452 227 D N 2.214 122.738 120.400 0.207 0.000 2.217 227 D HA 0.404 5.033 4.640 -0.019 0.000 0.243 227 D C -0.579 175.919 176.300 0.329 0.000 1.054 227 D CA -0.340 53.803 54.000 0.239 0.000 0.838 227 D CB 1.942 42.969 40.800 0.378 0.000 1.162 227 D HN 0.353 nan 8.370 nan 0.000 0.472 228 T N 2.584 117.222 114.554 0.140 0.000 2.829 228 T HA 0.460 4.799 4.350 -0.019 0.000 0.280 228 T C -2.494 172.010 174.700 -0.326 0.000 0.999 228 T CA -1.542 60.542 62.100 -0.028 0.000 0.983 228 T CB 1.986 70.847 68.868 -0.010 0.000 0.968 228 T HN 0.163 nan 8.240 nan 0.000 0.446 229 P HA 0.234 nan 4.420 nan 0.000 0.271 229 P C -0.934 176.048 177.300 -0.530 0.000 1.220 229 P CA -0.309 62.130 63.100 -1.102 0.000 0.768 229 P CB 0.618 31.482 31.700 -1.393 0.000 0.848 230 V N 6.047 125.728 119.914 -0.389 0.000 2.284 230 V HA 0.249 4.358 4.120 -0.019 0.000 0.274 230 V C -1.928 174.045 176.094 -0.201 0.000 1.023 230 V CA -1.990 60.161 62.300 -0.248 0.000 0.808 230 V CB 1.202 32.919 31.823 -0.176 0.000 1.035 230 V HN 0.537 nan 8.190 nan 0.000 0.445 231 P HA 0.217 nan 4.420 nan 0.000 0.282 231 P C 0.440 177.692 177.300 -0.081 0.000 1.262 231 P CA 0.374 63.394 63.100 -0.132 0.000 0.773 231 P CB 1.473 33.092 31.700 -0.135 0.000 0.879 232 G N 2.917 111.686 108.800 -0.052 0.000 2.634 232 G HA2 0.062 4.011 3.960 -0.019 0.000 0.255 232 G HA3 0.062 4.011 3.960 -0.019 0.000 0.255 232 G C -0.997 173.911 174.900 0.014 0.000 1.205 232 G CA -0.422 44.672 45.100 -0.010 0.000 0.884 232 G HN 0.477 nan 8.290 nan 0.000 0.549 233 Y N 0.564 120.824 120.300 -0.067 0.000 2.697 233 Y HA 0.188 4.726 4.550 -0.019 0.000 0.349 233 Y C 1.426 177.289 175.900 -0.062 0.000 1.120 233 Y CA -0.113 57.944 58.100 -0.072 0.000 1.468 233 Y CB 0.000 38.415 38.460 -0.075 0.000 1.182 233 Y HN 0.727 nan 8.280 nan 0.000 0.525 234 R N 2.910 123.108 120.500 -0.503 0.000 3.610 234 R HA -0.315 4.014 4.340 -0.019 0.000 0.274 234 R C -0.102 176.061 176.300 -0.228 0.000 1.123 234 R CA 1.478 57.301 56.100 -0.461 0.000 0.747 234 R CB -1.794 27.995 30.300 -0.851 0.000 1.149 234 R HN 0.931 nan 8.270 nan 0.000 0.471 235 N N -1.401 117.219 118.700 -0.133 0.000 2.299 235 N HA 0.079 4.808 4.740 -0.019 0.000 0.246 235 N C -0.333 175.136 175.510 -0.068 0.000 1.254 235 N CA -0.448 52.555 53.050 -0.079 0.000 0.879 235 N CB 0.571 39.033 38.487 -0.042 0.000 1.214 235 N HN 0.050 nan 8.380 nan 0.000 0.510 236 N N -0.322 118.334 118.700 -0.073 0.000 2.713 236 N HA -0.142 4.587 4.740 -0.019 0.000 0.251 236 N C -0.926 174.550 175.510 -0.056 0.000 1.117 236 N CA 0.654 53.669 53.050 -0.058 0.000 0.770 236 N CB -1.309 37.145 38.487 -0.055 0.000 1.137 236 N HN 0.253 nan 8.380 nan 0.000 0.566 237 V N 1.062 120.944 119.914 -0.052 0.000 2.407 237 V HA 0.448 4.557 4.120 -0.019 0.000 0.278 237 V C 0.455 176.527 176.094 -0.038 0.000 1.037 237 V CA -0.521 61.755 62.300 -0.041 0.000 0.900 237 V CB 2.093 33.909 31.823 -0.012 0.000 0.983 237 V HN -0.034 nan 8.190 nan 0.000 0.459 238 V N 5.492 125.391 119.914 -0.024 0.000 2.419 238 V HA 0.443 4.552 4.120 -0.019 0.000 0.287 238 V C -0.144 175.959 176.094 0.016 0.000 1.017 238 V CA -0.854 61.412 62.300 -0.056 0.000 0.844 238 V CB 1.568 33.354 31.823 -0.061 0.000 1.011 238 V HN 0.822 nan 8.190 nan 0.000 0.429 239 N N 1.869 120.545 118.700 -0.040 0.000 2.447 239 N HA 0.577 5.305 4.740 -0.019 0.000 0.271 239 N C -0.043 175.448 175.510 -0.030 0.000 1.226 239 N CA -0.270 52.774 53.050 -0.010 0.000 0.980 239 N CB 1.400 39.842 38.487 -0.075 0.000 1.206 239 N HN 0.585 nan 8.380 nan 0.000 0.558 240 T N 0.820 115.375 114.554 0.001 0.000 2.823 240 T HA 0.395 4.733 4.350 -0.019 0.000 0.279 240 T C -0.132 174.529 174.700 -0.066 0.000 0.998 240 T CA -0.508 61.643 62.100 0.086 0.000 0.994 240 T CB 0.929 69.972 68.868 0.292 0.000 0.960 240 T HN 0.297 nan 8.240 nan 0.000 0.448 241 M N 3.520 123.038 119.600 -0.137 0.000 2.149 241 M HA 0.561 5.030 4.480 -0.019 0.000 0.342 241 M C -0.550 175.581 176.300 -0.281 0.000 1.068 241 M CA -0.808 54.324 55.300 -0.280 0.000 0.991 241 M CB 0.670 33.036 32.600 -0.389 0.000 1.596 241 M HN 0.429 nan 8.290 nan 0.000 0.439 242 R N 4.662 124.876 120.500 -0.476 0.000 2.246 242 R HA 0.521 4.849 4.340 -0.019 0.000 0.332 242 R C -2.068 173.905 176.300 -0.545 0.000 0.974 242 R CA -0.377 55.377 56.100 -0.576 0.000 0.837 242 R CB 0.748 30.469 30.300 -0.964 0.000 1.145 242 R HN 0.715 nan 8.270 nan 0.000 0.467 243 L N 5.921 126.936 121.223 -0.346 0.000 2.294 243 L HA 0.459 4.788 4.340 -0.019 0.000 0.283 243 L C -1.085 175.712 176.870 -0.120 0.000 1.015 243 L CA -0.270 54.466 54.840 -0.173 0.000 0.831 243 L CB 0.842 42.883 42.059 -0.030 0.000 1.217 243 L HN 0.622 nan 8.230 nan 0.000 0.420 244 W N 3.128 124.556 121.300 0.214 0.000 2.266 244 W HA 0.443 5.091 4.660 -0.019 0.000 0.317 244 W C 0.784 177.542 176.519 0.398 0.000 1.310 244 W CA -0.050 57.452 57.345 0.261 0.000 1.207 244 W CB 0.880 30.375 29.460 0.058 0.000 1.199 244 W HN 0.417 nan 8.180 nan 0.000 0.544 245 S N 1.897 118.009 115.700 0.687 0.000 2.509 245 S HA 0.771 5.230 4.470 -0.019 0.000 0.297 245 S C -0.298 174.654 174.600 0.587 0.000 1.118 245 S CA -0.745 57.772 58.200 0.528 0.000 1.074 245 S CB 0.680 64.157 63.200 0.462 0.000 1.038 245 S HN 0.500 nan 8.310 nan 0.000 0.498 246 A N 3.224 126.228 122.820 0.306 0.000 2.309 246 A HA 0.718 5.027 4.320 -0.019 0.000 0.298 246 A C -0.296 177.379 177.584 0.152 0.000 1.165 246 A CA -0.451 51.666 52.037 0.134 0.000 0.821 246 A CB 0.441 19.276 19.000 -0.275 0.000 1.102 246 A HN 0.652 nan 8.150 nan 0.000 0.500 247 K N 1.823 122.323 120.400 0.167 0.000 2.501 247 K HA 0.672 4.981 4.320 -0.019 0.000 0.252 247 K C -0.521 176.136 176.600 0.096 0.000 0.934 247 K CA 0.049 56.413 56.287 0.129 0.000 0.797 247 K CB 1.786 34.379 32.500 0.154 0.000 1.270 247 K HN 0.982 nan 8.250 nan 0.000 0.431 248 A N 4.550 127.411 122.820 0.067 0.000 2.407 248 A HA 0.458 4.766 4.320 -0.019 0.000 0.248 248 A C -2.120 175.487 177.584 0.038 0.000 1.082 248 A CA -1.131 50.936 52.037 0.050 0.000 0.785 248 A CB -0.496 18.528 19.000 0.040 0.000 1.020 248 A HN 0.700 nan 8.150 nan 0.000 0.489 249 P HA 0.002 nan 4.420 nan 0.000 0.269 249 P C 0.228 177.535 177.300 0.011 0.000 1.209 249 P CA -0.233 62.861 63.100 -0.010 0.000 0.776 249 P CB 0.549 32.206 31.700 -0.072 0.000 0.876 250 N N 1.850 120.557 118.700 0.012 0.000 2.331 250 N HA -0.174 4.555 4.740 -0.019 0.000 0.180 250 N C 0.904 176.443 175.510 0.048 0.000 1.019 250 N CA 1.151 54.218 53.050 0.029 0.000 0.881 250 N CB -0.559 37.944 38.487 0.026 0.000 0.972 250 N HN 0.519 nan 8.380 nan 0.000 0.435 251 D N 0.155 120.581 120.400 0.044 0.000 2.162 251 D HA -0.085 4.544 4.640 -0.019 0.000 0.252 251 D C 1.369 177.791 176.300 0.203 0.000 1.095 251 D CA 0.089 54.148 54.000 0.098 0.000 0.928 251 D CB -0.348 40.486 40.800 0.057 0.000 0.989 251 D HN -0.099 nan 8.370 nan 0.000 0.401 252 F N 1.008 120.958 119.950 -0.001 0.000 2.346 252 F HA -0.091 4.425 4.527 -0.019 0.000 0.301 252 F C 2.098 177.898 175.800 0.001 0.000 1.070 252 F CA 0.757 58.755 58.000 -0.003 0.000 1.407 252 F CB -1.502 37.499 39.000 0.002 0.000 1.072 252 F HN 0.253 nan 8.300 nan 0.000 0.543 253 N N -0.262 118.555 118.700 0.195 0.000 2.205 253 N HA -0.193 4.535 4.740 -0.019 0.000 0.186 253 N C 1.415 176.963 175.510 0.063 0.000 1.015 253 N CA 0.990 54.101 53.050 0.102 0.000 0.862 253 N CB 0.014 38.539 38.487 0.063 0.000 0.986 253 N HN 0.195 nan 8.380 nan 0.000 0.429 254 L N 0.058 121.328 121.223 0.079 0.000 2.515 254 L HA 0.145 4.474 4.340 -0.019 0.000 0.202 254 L C 0.863 177.768 176.870 0.057 0.000 1.056 254 L CA 0.493 55.374 54.840 0.068 0.000 0.847 254 L CB -0.316 41.801 42.059 0.097 0.000 1.131 254 L HN -0.095 nan 8.230 nan 0.000 0.484 255 K N 0.914 121.358 120.400 0.074 0.000 2.230 255 K HA 0.085 4.394 4.320 -0.019 0.000 0.253 255 K C -0.611 175.896 176.600 -0.155 0.000 1.008 255 K CA 0.309 56.595 56.287 -0.002 0.000 0.910 255 K CB 0.220 32.787 32.500 0.112 0.000 0.994 255 K HN 0.172 nan 8.250 nan 0.000 0.495 256 D N -0.394 119.821 120.400 -0.308 0.000 5.019 256 D HA -0.251 4.377 4.640 -0.019 0.000 0.304 256 D C -0.398 175.702 176.300 -0.333 0.000 2.360 256 D CA 0.433 54.175 54.000 -0.430 0.000 1.276 256 D CB -0.671 39.824 40.800 -0.509 0.000 1.079 256 D HN 0.436 nan 8.370 nan 0.000 1.254 257 F N 1.473 121.359 119.950 -0.107 0.000 2.660 257 F HA 0.234 4.750 4.527 -0.019 0.000 0.342 257 F C 1.120 176.893 175.800 -0.045 0.000 1.195 257 F CA -0.086 57.879 58.000 -0.058 0.000 1.300 257 F CB -0.889 38.082 39.000 -0.049 0.000 1.616 257 F HN 0.098 nan 8.300 nan 0.000 0.592 258 N N 0.368 119.141 118.700 0.122 0.000 2.635 258 N HA 0.086 4.815 4.740 -0.019 0.000 0.307 258 N C 0.515 176.080 175.510 0.092 0.000 1.433 258 N CA -0.117 52.979 53.050 0.077 0.000 0.973 258 N CB 1.024 39.529 38.487 0.030 0.000 1.304 258 N HN 0.188 nan 8.380 nan 0.000 0.507 259 V N 0.770 120.772 119.914 0.146 0.000 3.292 259 V HA 0.236 4.344 4.120 -0.019 0.000 0.372 259 V C 1.188 177.334 176.094 0.087 0.000 1.249 259 V CA 0.162 62.549 62.300 0.145 0.000 1.378 259 V CB -0.719 31.255 31.823 0.251 0.000 1.245 259 V HN 0.465 nan 8.190 nan 0.000 0.467 260 G N 0.792 109.629 108.800 0.062 0.000 3.518 260 G HA2 0.515 4.464 3.960 -0.019 0.000 0.273 260 G HA3 0.515 4.464 3.960 -0.019 0.000 0.273 260 G C 0.629 175.551 174.900 0.036 0.000 1.199 260 G CA 0.269 45.392 45.100 0.039 0.000 0.899 260 G HN 1.305 nan 8.290 nan 0.000 0.533 261 G N -1.015 107.818 108.800 0.056 0.000 3.101 261 G HA2 -0.085 3.864 3.960 -0.019 0.000 0.672 261 G HA3 -0.085 3.864 3.960 -0.019 0.000 0.672 261 G C -0.011 174.933 174.900 0.074 0.000 1.331 261 G CA -0.037 45.102 45.100 0.064 0.000 0.925 261 G HN 0.406 nan 8.290 nan 0.000 0.596 262 Y N 3.459 123.776 120.300 0.028 0.000 2.145 262 Y HA 0.002 4.540 4.550 -0.019 0.000 0.286 262 Y C 2.500 178.415 175.900 0.025 0.000 1.145 262 Y CA 2.569 60.685 58.100 0.028 0.000 1.148 262 Y CB -0.133 38.341 38.460 0.024 0.000 0.981 262 Y HN 0.572 nan 8.280 nan 0.000 0.507 263 I N 0.567 121.039 120.570 -0.164 0.000 2.179 263 I HA -0.262 3.897 4.170 -0.019 0.000 0.242 263 I C 2.518 178.533 176.117 -0.171 0.000 1.088 263 I CA 1.762 62.933 61.300 -0.214 0.000 1.357 263 I CB -0.620 37.404 38.000 0.039 0.000 1.051 263 I HN 0.331 nan 8.210 nan 0.000 0.409 264 Q N 0.727 120.478 119.800 -0.081 0.000 2.084 264 Q HA -0.156 4.173 4.340 -0.019 0.000 0.202 264 Q C 2.174 178.129 176.000 -0.074 0.000 0.978 264 Q CA 2.159 57.930 55.803 -0.055 0.000 0.844 264 Q CB -0.556 28.170 28.738 -0.019 0.000 0.898 264 Q HN 0.548 nan 8.270 nan 0.000 0.426 265 A N -0.683 122.080 122.820 -0.096 0.000 1.948 265 A HA -0.171 4.138 4.320 -0.019 0.000 0.220 265 A C 2.235 179.741 177.584 -0.129 0.000 1.177 265 A CA 1.854 53.835 52.037 -0.093 0.000 0.636 265 A CB -0.754 18.192 19.000 -0.089 0.000 0.815 265 A HN 0.284 nan 8.150 nan 0.000 0.449 266 V N -0.007 119.766 119.914 -0.234 0.000 2.488 266 V HA -0.155 3.954 4.120 -0.019 0.000 0.246 266 V C 2.444 178.475 176.094 -0.106 0.000 1.046 266 V CA 1.509 63.688 62.300 -0.201 0.000 1.053 266 V CB -0.616 31.018 31.823 -0.314 0.000 0.679 266 V HN 0.567 nan 8.190 nan 0.000 0.458 267 L N -0.200 120.968 121.223 -0.092 0.000 2.141 267 L HA -0.134 4.195 4.340 -0.019 0.000 0.209 267 L C 1.934 178.788 176.870 -0.026 0.000 1.094 267 L CA 1.256 56.069 54.840 -0.046 0.000 0.763 267 L CB -0.711 41.326 42.059 -0.037 0.000 0.908 267 L HN 0.328 nan 8.230 nan 0.000 0.437 268 D N 0.058 120.441 120.400 -0.029 0.000 2.371 268 D HA -0.062 4.567 4.640 -0.019 0.000 0.221 268 D C 2.145 178.444 176.300 -0.001 0.000 0.986 268 D CA 0.360 54.353 54.000 -0.011 0.000 0.899 268 D CB 0.017 40.812 40.800 -0.009 0.000 0.902 268 D HN 0.217 nan 8.370 nan 0.000 0.530 269 R N 0.511 121.008 120.500 -0.005 0.000 2.139 269 R HA -0.111 4.217 4.340 -0.019 0.000 0.243 269 R C 1.656 177.967 176.300 0.017 0.000 1.145 269 R CA 0.815 56.920 56.100 0.010 0.000 0.976 269 R CB -0.169 30.134 30.300 0.007 0.000 0.866 269 R HN 0.181 nan 8.270 nan 0.000 0.449 270 N N 0.748 119.457 118.700 0.015 0.000 2.192 270 N HA -0.168 4.560 4.740 -0.019 0.000 0.188 270 N C 1.633 177.155 175.510 0.020 0.000 1.013 270 N CA 1.043 54.106 53.050 0.022 0.000 0.863 270 N CB -0.194 38.307 38.487 0.022 0.000 0.990 270 N HN 0.076 nan 8.380 nan 0.000 0.430 271 L N 1.059 122.290 121.223 0.014 0.000 2.043 271 L HA -0.142 4.186 4.340 -0.019 0.000 0.212 271 L C 2.257 179.127 176.870 0.000 0.000 1.075 271 L CA 1.536 56.382 54.840 0.010 0.000 0.752 271 L CB -1.114 40.952 42.059 0.011 0.000 0.891 271 L HN 0.142 nan 8.230 nan 0.000 0.432 272 A N -1.622 121.201 122.820 0.004 0.000 2.021 272 A HA -0.076 4.233 4.320 -0.019 0.000 0.216 272 A C 2.074 179.645 177.584 -0.023 0.000 1.163 272 A CA 0.713 52.744 52.037 -0.010 0.000 0.676 272 A CB -0.324 18.690 19.000 0.022 0.000 0.818 272 A HN 0.467 nan 8.150 nan 0.000 0.453 273 E N 0.250 120.453 120.200 0.005 0.000 2.481 273 E HA -0.044 4.294 4.350 -0.019 0.000 0.195 273 E C 1.002 177.612 176.600 0.017 0.000 1.047 273 E CA 0.057 56.466 56.400 0.016 0.000 0.867 273 E CB -0.003 29.724 29.700 0.045 0.000 0.858 273 E HN 0.462 nan 8.360 nan 0.000 0.513 274 N N 0.743 119.449 118.700 0.011 0.000 2.331 274 N HA -0.070 4.658 4.740 -0.019 0.000 0.180 274 N C 1.628 177.155 175.510 0.028 0.000 1.019 274 N CA 0.640 53.712 53.050 0.037 0.000 0.881 274 N CB 0.013 38.519 38.487 0.033 0.000 0.972 274 N HN 0.224 nan 8.380 nan 0.000 0.435 275 I N 0.791 121.324 120.570 -0.061 0.000 2.300 275 I HA -0.271 3.888 4.170 -0.019 0.000 0.252 275 I C 1.151 177.242 176.117 -0.044 0.000 1.119 275 I CA 1.356 62.585 61.300 -0.119 0.000 1.384 275 I CB -0.191 37.576 38.000 -0.388 0.000 1.062 275 I HN 0.133 nan 8.210 nan 0.000 0.426 276 S N -0.971 114.725 115.700 -0.006 0.000 2.651 276 S HA 0.257 4.716 4.470 -0.019 0.000 0.246 276 S C 1.305 176.064 174.600 0.265 0.000 1.039 276 S CA -0.688 57.604 58.200 0.154 0.000 1.013 276 S CB 0.395 63.659 63.200 0.107 0.000 0.861 276 S HN 0.185 nan 8.310 nan 0.000 0.485 277 R N 1.493 122.137 120.500 0.239 0.000 2.066 277 R HA 0.213 4.541 4.340 -0.019 0.000 0.232 277 R C 0.479 177.033 176.300 0.422 0.000 1.131 277 R CA 1.404 57.681 56.100 0.294 0.000 0.955 277 R CB -0.325 30.117 30.300 0.237 0.000 0.851 277 R HN 0.418 nan 8.270 nan 0.000 0.432 278 V N -0.006 120.112 119.914 0.340 0.000 3.012 278 V HA 0.373 4.482 4.120 -0.019 0.000 0.307 278 V C -1.645 174.403 176.094 -0.076 0.000 1.166 278 V CA -1.376 61.038 62.300 0.190 0.000 0.974 278 V CB 1.838 33.711 31.823 0.084 0.000 1.040 278 V HN 0.167 nan 8.190 nan 0.000 0.428 279 L N 6.257 127.191 121.223 -0.482 0.000 2.319 279 L HA 0.500 4.828 4.340 -0.019 0.000 0.280 279 L C -0.800 175.945 176.870 -0.208 0.000 1.099 279 L CA 0.318 54.708 54.840 -0.749 0.000 0.828 279 L CB 0.510 42.033 42.059 -0.893 0.000 1.150 279 L HN 0.689 nan 8.230 nan 0.000 0.442 280 Y N 7.212 127.458 120.300 -0.090 0.000 2.745 280 Y HA 0.084 4.623 4.550 -0.019 0.000 0.335 280 Y C -1.205 174.706 175.900 0.018 0.000 1.212 280 Y CA -0.896 57.205 58.100 0.002 0.000 1.535 280 Y CB 0.100 38.586 38.460 0.043 0.000 1.220 280 Y HN 0.582 nan 8.280 nan 0.000 0.531 281 P HA -0.061 nan 4.420 nan 0.000 0.263 281 P C -1.028 176.395 177.300 0.205 0.000 1.386 281 P CA 0.344 63.550 63.100 0.177 0.000 0.797 281 P CB -0.088 31.773 31.700 0.269 0.000 1.381 282 N N 0.681 119.508 118.700 0.212 0.000 2.400 282 N HA 0.279 5.008 4.740 -0.019 0.000 0.288 282 N C -0.924 174.725 175.510 0.232 0.000 1.024 282 N CA -0.508 52.677 53.050 0.226 0.000 0.894 282 N CB 0.983 39.642 38.487 0.286 0.000 1.173 282 N HN -0.077 nan 8.380 nan 0.000 0.487 283 D N 1.169 121.727 120.400 0.263 0.000 2.303 283 D HA 0.247 4.875 4.640 -0.019 0.000 0.236 283 D C -0.580 175.996 176.300 0.460 0.000 1.068 283 D CA -0.378 53.819 54.000 0.328 0.000 0.830 283 D CB 0.338 41.354 40.800 0.360 0.000 1.109 283 D HN 0.388 nan 8.370 nan 0.000 0.496 284 N N 3.077 121.979 118.700 0.337 0.000 2.714 284 N HA -0.250 4.478 4.740 -0.019 0.000 0.253 284 N C -1.414 174.322 175.510 0.377 0.000 1.024 284 N CA 0.732 53.948 53.050 0.276 0.000 0.726 284 N CB -0.838 37.722 38.487 0.121 0.000 0.908 284 N HN 0.377 nan 8.380 nan 0.000 0.542 285 F N 0.960 121.001 119.950 0.152 0.000 2.623 285 F HA 0.388 4.903 4.527 -0.019 0.000 0.323 285 F C -1.111 174.760 175.800 0.119 0.000 1.158 285 F CA -1.181 56.880 58.000 0.102 0.000 1.030 285 F CB 0.776 39.795 39.000 0.032 0.000 1.280 285 F HN -0.012 nan 8.300 nan 0.000 0.474 286 F N 5.629 125.258 119.950 -0.536 0.000 2.394 286 F HA 0.581 5.097 4.527 -0.019 0.000 0.340 286 F C -0.600 174.866 175.800 -0.557 0.000 1.105 286 F CA -0.121 57.600 58.000 -0.464 0.000 1.124 286 F CB 0.941 39.669 39.000 -0.452 0.000 1.145 286 F HN 0.542 nan 8.300 nan 0.000 0.505 287 E N 3.356 123.007 120.200 -0.915 0.000 2.244 287 E HA 0.296 4.634 4.350 -0.019 0.000 0.260 287 E C -0.508 175.386 176.600 -1.178 0.000 0.884 287 E CA -0.736 55.181 56.400 -0.805 0.000 0.777 287 E CB 1.477 31.054 29.700 -0.206 0.000 1.197 287 E HN 0.959 nan 8.360 nan 0.000 0.416 288 G N 3.803 111.798 108.800 -1.342 0.000 3.101 288 G HA2 0.082 4.031 3.960 -0.019 0.000 0.272 288 G HA3 0.082 4.031 3.960 -0.019 0.000 0.272 288 G C -0.048 174.706 174.900 -0.244 0.000 0.801 288 G CA -0.105 44.347 45.100 -1.079 0.000 1.978 288 G HN 0.058 nan 8.290 nan 0.000 0.591 289 K N 0.477 120.835 120.400 -0.070 0.000 2.185 289 K HA 0.266 4.575 4.320 -0.019 0.000 0.269 289 K C 1.076 177.833 176.600 0.261 0.000 0.987 289 K CA -0.871 55.485 56.287 0.115 0.000 0.865 289 K CB 1.933 34.481 32.500 0.081 0.000 1.090 289 K HN 0.393 nan 8.250 nan 0.000 0.450 290 E N 2.040 122.364 120.200 0.206 0.000 2.085 290 E HA -0.212 4.127 4.350 -0.019 0.000 0.194 290 E C 1.304 177.956 176.600 0.088 0.000 0.994 290 E CA 1.078 57.555 56.400 0.129 0.000 0.801 290 E CB 0.091 29.862 29.700 0.118 0.000 0.743 290 E HN 0.432 nan 8.360 nan 0.000 0.453 291 L N 1.153 122.461 121.223 0.142 0.000 2.261 291 L HA -0.142 4.186 4.340 -0.019 0.000 0.216 291 L C 2.213 179.181 176.870 0.164 0.000 1.114 291 L CA 1.540 56.477 54.840 0.162 0.000 0.777 291 L CB -0.276 41.945 42.059 0.270 0.000 0.910 291 L HN 0.033 nan 8.230 nan 0.000 0.440 292 R N -1.376 119.158 120.500 0.055 0.000 2.100 292 R HA -0.052 4.276 4.340 -0.019 0.000 0.220 292 R C 2.124 178.469 176.300 0.076 0.000 1.091 292 R CA 1.032 57.102 56.100 -0.052 0.000 0.986 292 R CB -0.216 29.911 30.300 -0.288 0.000 0.888 292 R HN 0.369 nan 8.270 nan 0.000 0.444 293 L N 1.758 122.957 121.223 -0.040 0.000 2.093 293 L HA -0.124 4.205 4.340 -0.019 0.000 0.208 293 L C 1.666 178.493 176.870 -0.072 0.000 1.085 293 L CA 1.810 56.420 54.840 -0.383 0.000 0.755 293 L CB -0.174 41.340 42.059 -0.910 0.000 0.904 293 L HN 0.012 nan 8.230 nan 0.000 0.435 294 K N -1.036 119.378 120.400 0.024 0.000 2.097 294 K HA -0.174 4.135 4.320 -0.019 0.000 0.205 294 K C 2.061 178.834 176.600 0.287 0.000 1.050 294 K CA 1.583 57.965 56.287 0.160 0.000 0.938 294 K CB -0.230 32.183 32.500 -0.144 0.000 0.718 294 K HN 0.491 nan 8.250 nan 0.000 0.442 295 Q N 0.988 120.915 119.800 0.212 0.000 2.050 295 Q HA -0.165 4.163 4.340 -0.019 0.000 0.202 295 Q C 2.015 178.204 176.000 0.315 0.000 0.980 295 Q CA 1.409 57.385 55.803 0.289 0.000 0.840 295 Q CB 0.000 28.927 28.738 0.314 0.000 0.898 295 Q HN 0.367 nan 8.270 nan 0.000 0.424 296 E N -0.109 120.229 120.200 0.229 0.000 2.058 296 E HA -0.231 4.108 4.350 -0.019 0.000 0.194 296 E C 1.790 178.490 176.600 0.167 0.000 0.997 296 E CA 1.204 57.716 56.400 0.188 0.000 0.801 296 E CB -0.192 29.585 29.700 0.128 0.000 0.746 296 E HN 0.319 nan 8.360 nan 0.000 0.450 297 Y N 0.340 120.668 120.300 0.047 0.000 2.242 297 Y HA -0.221 4.318 4.550 -0.019 0.000 0.291 297 Y C 1.949 177.873 175.900 0.039 0.000 1.137 297 Y CA 1.174 59.260 58.100 -0.023 0.000 1.181 297 Y CB -0.355 38.069 38.460 -0.060 0.000 0.989 297 Y HN 0.045 nan 8.280 nan 0.000 0.527 298 F N -0.491 119.425 119.950 -0.057 0.000 2.134 298 F HA -0.180 4.336 4.527 -0.019 0.000 0.299 298 F C 2.024 177.654 175.800 -0.284 0.000 1.097 298 F CA 1.724 59.629 58.000 -0.159 0.000 1.264 298 F CB -0.650 38.432 39.000 0.138 0.000 1.001 298 F HN -0.125 nan 8.300 nan 0.000 0.479 299 V N -0.278 119.566 119.914 -0.116 0.000 2.261 299 V HA -0.296 3.813 4.120 -0.019 0.000 0.246 299 V C 2.428 178.328 176.094 -0.324 0.000 1.047 299 V CA 1.708 63.904 62.300 -0.173 0.000 1.015 299 V CB -0.972 30.943 31.823 0.153 0.000 0.642 299 V HN 0.269 nan 8.190 nan 0.000 0.446 300 V N 0.339 120.096 119.914 -0.261 0.000 2.252 300 V HA -0.324 3.785 4.120 -0.019 0.000 0.249 300 V C 2.738 178.562 176.094 -0.449 0.000 1.056 300 V CA 2.366 64.495 62.300 -0.286 0.000 1.022 300 V CB -1.214 30.495 31.823 -0.191 0.000 0.641 300 V HN 0.574 nan 8.190 nan 0.000 0.445 301 A N -0.229 122.159 122.820 -0.720 0.000 1.865 301 A HA -0.150 4.159 4.320 -0.019 0.000 0.217 301 A C 2.413 179.631 177.584 -0.611 0.000 1.191 301 A CA 2.420 54.052 52.037 -0.675 0.000 0.623 301 A CB -0.949 17.494 19.000 -0.929 0.000 0.826 301 A HN 0.606 nan 8.150 nan 0.000 0.444 302 A N -1.235 121.045 122.820 -0.899 0.000 1.898 302 A HA -0.056 4.252 4.320 -0.019 0.000 0.216 302 A C 2.307 179.409 177.584 -0.802 0.000 1.181 302 A CA 2.265 53.614 52.037 -1.146 0.000 0.620 302 A CB -1.313 16.371 19.000 -2.193 0.000 0.819 302 A HN 0.439 nan 8.150 nan 0.000 0.442 303 T N 0.225 114.446 114.554 -0.555 0.000 2.720 303 T HA -0.131 4.208 4.350 -0.019 0.000 0.268 303 T C 1.696 176.153 174.700 -0.404 0.000 1.037 303 T CA 1.599 63.493 62.100 -0.343 0.000 1.144 303 T CB -0.326 68.315 68.868 -0.378 0.000 0.864 303 T HN 0.215 nan 8.240 nan 0.000 0.444 304 L N 0.976 121.995 121.223 -0.340 0.000 2.275 304 L HA -0.029 4.300 4.340 -0.019 0.000 0.215 304 L C 2.548 179.314 176.870 -0.174 0.000 1.119 304 L CA 1.490 56.177 54.840 -0.256 0.000 0.790 304 L CB -0.578 41.361 42.059 -0.201 0.000 0.919 304 L HN 0.308 nan 8.230 nan 0.000 0.443 305 Q N -1.345 118.352 119.800 -0.172 0.000 2.187 305 Q HA -0.177 4.152 4.340 -0.019 0.000 0.199 305 Q C 1.554 177.539 176.000 -0.026 0.000 0.957 305 Q CA 1.194 56.948 55.803 -0.081 0.000 0.857 305 Q CB -0.008 28.675 28.738 -0.092 0.000 0.929 305 Q HN 0.385 nan 8.270 nan 0.000 0.453 306 D N 0.580 120.955 120.400 -0.041 0.000 2.183 306 D HA -0.051 4.577 4.640 -0.019 0.000 0.203 306 D C 1.627 177.890 176.300 -0.063 0.000 0.969 306 D CA 0.731 54.747 54.000 0.026 0.000 0.842 306 D CB 0.118 41.029 40.800 0.185 0.000 0.957 306 D HN 0.164 nan 8.370 nan 0.000 0.484 307 I N -0.191 120.239 120.570 -0.234 0.000 2.163 307 I HA -0.212 3.946 4.170 -0.019 0.000 0.240 307 I C 2.175 178.312 176.117 0.034 0.000 1.081 307 I CA 0.552 61.656 61.300 -0.327 0.000 1.353 307 I CB -0.094 37.550 38.000 -0.593 0.000 1.054 307 I HN -0.027 nan 8.210 nan 0.000 0.407 308 I N 0.576 121.234 120.570 0.147 0.000 2.226 308 I HA -0.283 3.876 4.170 -0.019 0.000 0.245 308 I C 2.744 179.058 176.117 0.328 0.000 1.100 308 I CA 1.385 62.906 61.300 0.368 0.000 1.374 308 I CB -0.409 37.740 38.000 0.249 0.000 1.057 308 I HN 0.116 nan 8.210 nan 0.000 0.413 309 R N 0.662 121.271 120.500 0.182 0.000 2.073 309 R HA -0.168 4.161 4.340 -0.019 0.000 0.234 309 R C 2.417 178.804 176.300 0.146 0.000 1.134 309 R CA 1.606 57.794 56.100 0.146 0.000 0.952 309 R CB -0.245 30.113 30.300 0.097 0.000 0.850 309 R HN 0.283 nan 8.270 nan 0.000 0.433 310 R N -0.544 120.035 120.500 0.133 0.000 2.096 310 R HA -0.144 4.185 4.340 -0.019 0.000 0.235 310 R C 2.249 178.662 176.300 0.189 0.000 1.127 310 R CA 1.559 57.747 56.100 0.146 0.000 0.968 310 R CB -0.482 29.899 30.300 0.135 0.000 0.861 310 R HN 0.250 nan 8.270 nan 0.000 0.440 311 F N 2.167 122.167 119.950 0.082 0.000 2.102 311 F HA -0.195 4.320 4.527 -0.019 0.000 0.298 311 F C 1.887 177.771 175.800 0.139 0.000 1.105 311 F CA 1.571 59.620 58.000 0.081 0.000 1.239 311 F CB -0.036 39.037 39.000 0.121 0.000 0.991 311 F HN -0.215 nan 8.300 nan 0.000 0.474 312 K N -0.301 120.109 120.400 0.017 0.000 2.026 312 K HA -0.052 4.257 4.320 -0.019 0.000 0.208 312 K C 1.117 177.684 176.600 -0.054 0.000 1.048 312 K CA 1.522 57.748 56.287 -0.102 0.000 0.929 312 K CB -0.325 32.215 32.500 0.066 0.000 0.713 312 K HN 0.130 nan 8.250 nan 0.000 0.439 313 S N 1.082 116.802 115.700 0.034 0.000 2.489 313 S HA 0.084 4.543 4.470 -0.019 0.000 0.237 313 S C -0.501 174.171 174.600 0.119 0.000 1.220 313 S CA -0.529 57.714 58.200 0.071 0.000 1.231 313 S CB 0.536 63.790 63.200 0.089 0.000 0.900 313 S HN 0.221 nan 8.310 nan 0.000 0.492 314 S N 1.371 117.088 115.700 0.028 0.000 2.620 314 S HA 0.401 4.860 4.470 -0.019 0.000 0.244 314 S C 0.266 174.782 174.600 -0.139 0.000 1.192 314 S CA -0.810 57.371 58.200 -0.031 0.000 1.148 314 S CB 0.360 63.555 63.200 -0.008 0.000 1.106 314 S HN 0.261 nan 8.310 nan 0.000 0.474 315 K N 0.583 120.895 120.400 -0.147 0.000 3.456 315 K HA -0.220 4.089 4.320 -0.019 0.000 0.313 315 K C 0.059 176.646 176.600 -0.020 0.000 1.252 315 K CA 1.662 57.871 56.287 -0.130 0.000 0.991 315 K CB -1.540 30.836 32.500 -0.207 0.000 1.259 315 K HN 0.603 nan 8.250 nan 0.000 0.420 316 F N 0.607 120.424 119.950 -0.221 0.000 2.582 316 F HA 0.156 4.671 4.527 -0.019 0.000 0.290 316 F C 2.579 178.258 175.800 -0.201 0.000 1.115 316 F CA 0.811 58.650 58.000 -0.270 0.000 1.445 316 F CB -0.630 38.062 39.000 -0.513 0.000 1.126 316 F HN 0.132 nan 8.300 nan 0.000 0.574 317 G N -0.154 108.663 108.800 0.028 0.000 2.505 317 G HA2 -0.332 3.617 3.960 -0.019 0.000 0.220 317 G HA3 -0.332 3.617 3.960 -0.019 0.000 0.220 317 G C 1.918 176.820 174.900 0.002 0.000 1.145 317 G CA 1.493 46.598 45.100 0.008 0.000 0.761 317 G HN 0.414 nan 8.290 nan 0.000 0.571 318 C N -0.249 119.059 119.300 0.014 0.000 2.453 318 C HA 0.187 4.636 4.460 -0.019 0.000 0.277 318 C C 1.623 176.611 174.990 -0.004 0.000 1.262 318 C CA -0.203 58.820 59.018 0.008 0.000 1.718 318 C CB -0.649 27.096 27.740 0.008 0.000 2.031 318 C HN 0.282 nan 8.230 nan 0.000 0.480 319 R N 1.989 122.497 120.500 0.012 0.000 2.242 319 R HA 0.077 4.405 4.340 -0.019 0.000 0.334 319 R C 0.235 176.461 176.300 -0.124 0.000 1.071 319 R CA 0.404 56.501 56.100 -0.006 0.000 0.922 319 R CB 0.247 30.626 30.300 0.132 0.000 1.023 319 R HN 0.568 nan 8.270 nan 0.000 0.458 320 D N 6.096 126.441 120.400 -0.093 0.000 2.429 320 D HA 0.027 4.655 4.640 -0.019 0.000 0.242 320 D C -1.335 174.897 176.300 -0.113 0.000 1.076 320 D CA 0.271 54.203 54.000 -0.114 0.000 0.955 320 D CB -1.459 39.301 40.800 -0.066 0.000 1.076 320 D HN 0.380 nan 8.370 nan 0.000 0.448 321 P HA 0.065 nan 4.420 nan 0.000 0.290 321 P C 0.393 177.671 177.300 -0.038 0.000 1.584 321 P CA 0.433 63.508 63.100 -0.041 0.000 0.813 321 P CB 0.274 31.961 31.700 -0.021 0.000 1.775 322 V N -2.197 117.685 119.914 -0.052 0.000 3.218 322 V HA 0.331 4.440 4.120 -0.019 0.000 0.212 322 V C -0.402 175.673 176.094 -0.031 0.000 1.596 322 V CA 0.447 62.727 62.300 -0.033 0.000 1.113 322 V CB 0.484 32.294 31.823 -0.021 0.000 1.081 322 V HN 0.076 nan 8.190 nan 0.000 0.483 323 R N -0.658 119.807 120.500 -0.059 0.000 3.012 323 R HA 0.430 4.759 4.340 -0.019 0.000 0.287 323 R C -1.045 175.178 176.300 -0.128 0.000 0.990 323 R CA 0.185 56.259 56.100 -0.044 0.000 0.839 323 R CB 0.881 31.188 30.300 0.010 0.000 1.317 323 R HN 0.148 nan 8.270 nan 0.000 0.518 324 T N 1.691 116.182 114.554 -0.106 0.000 2.727 324 T HA 0.268 4.606 4.350 -0.019 0.000 0.295 324 T C -0.414 174.190 174.700 -0.161 0.000 0.915 324 T CA -0.074 61.867 62.100 -0.266 0.000 1.066 324 T CB -0.182 68.594 68.868 -0.154 0.000 0.891 324 T HN 0.310 nan 8.240 nan 0.000 0.516 325 N N 2.215 120.757 118.700 -0.262 0.000 2.439 325 N HA 0.307 5.035 4.740 -0.019 0.000 0.249 325 N C 0.120 175.762 175.510 0.220 0.000 1.003 325 N CA -0.442 52.628 53.050 0.034 0.000 0.942 325 N CB 0.550 39.072 38.487 0.059 0.000 1.115 325 N HN 0.492 nan 8.380 nan 0.000 0.505 326 F N 0.377 120.481 119.950 0.256 0.000 2.802 326 F HA -0.000 4.515 4.527 -0.019 0.000 0.300 326 F C 0.739 176.636 175.800 0.163 0.000 1.168 326 F CA 0.050 58.162 58.000 0.188 0.000 1.433 326 F CB 0.134 39.083 39.000 -0.085 0.000 1.115 326 F HN 0.422 nan 8.300 nan 0.000 0.582 327 D N 0.274 120.854 120.400 0.301 0.000 2.934 327 D HA 0.339 4.968 4.640 -0.019 0.000 0.237 327 D C 1.124 177.566 176.300 0.236 0.000 1.158 327 D CA 0.360 54.488 54.000 0.213 0.000 0.971 327 D CB 0.342 41.234 40.800 0.154 0.000 1.123 327 D HN 0.312 nan 8.370 nan 0.000 0.467 328 A N -0.521 122.471 122.820 0.286 0.000 2.452 328 A HA 0.010 4.319 4.320 -0.019 0.000 0.147 328 A C 1.105 178.822 177.584 0.222 0.000 1.842 328 A CA -0.419 51.786 52.037 0.280 0.000 1.336 328 A CB -0.869 18.394 19.000 0.439 0.000 1.524 328 A HN 0.183 nan 8.150 nan 0.000 0.369 329 F N 2.702 122.597 119.950 -0.092 0.000 2.091 329 F HA -0.092 4.423 4.527 -0.019 0.000 0.299 329 F C -0.544 175.150 175.800 -0.176 0.000 1.103 329 F CA 3.104 60.836 58.000 -0.447 0.000 1.228 329 F CB -0.192 38.531 39.000 -0.462 0.000 0.984 329 F HN 0.212 nan 8.300 nan 0.000 0.477 330 P HA -0.104 nan 4.420 nan 0.000 0.226 330 P C 0.442 177.710 177.300 -0.054 0.000 1.153 330 P CA 1.416 64.507 63.100 -0.014 0.000 0.777 330 P CB -0.072 31.631 31.700 0.005 0.000 0.794 331 D N -0.557 119.823 120.400 -0.033 0.000 2.339 331 D HA 0.031 4.660 4.640 -0.019 0.000 0.217 331 D C 1.556 177.824 176.300 -0.054 0.000 1.050 331 D CA 0.500 54.482 54.000 -0.030 0.000 0.856 331 D CB 0.335 41.133 40.800 -0.004 0.000 0.922 331 D HN 0.219 nan 8.370 nan 0.000 0.518 332 K N -0.052 120.291 120.400 -0.094 0.000 2.391 332 K HA 0.190 4.498 4.320 -0.019 0.000 0.197 332 K C 0.156 176.656 176.600 -0.167 0.000 1.087 332 K CA 0.164 56.397 56.287 -0.091 0.000 1.012 332 K CB 2.420 34.948 32.500 0.046 0.000 0.925 332 K HN -0.092 nan 8.250 nan 0.000 0.547 333 V N 1.090 120.831 119.914 -0.288 0.000 2.709 333 V HA 0.583 4.692 4.120 -0.019 0.000 0.308 333 V C -1.161 174.867 176.094 -0.111 0.000 1.062 333 V CA -1.138 61.003 62.300 -0.264 0.000 0.901 333 V CB 1.851 33.218 31.823 -0.761 0.000 1.003 333 V HN 0.141 nan 8.190 nan 0.000 0.425 334 A N 5.373 128.184 122.820 -0.014 0.000 2.356 334 A HA 0.921 5.230 4.320 -0.019 0.000 0.310 334 A C -0.867 176.751 177.584 0.057 0.000 1.075 334 A CA -0.530 51.513 52.037 0.011 0.000 0.746 334 A CB 1.245 20.171 19.000 -0.123 0.000 1.221 334 A HN 1.156 nan 8.150 nan 0.000 0.443 335 I N 0.797 121.432 120.570 0.107 0.000 2.418 335 I HA 0.651 4.809 4.170 -0.019 0.000 0.287 335 I C -0.772 175.426 176.117 0.136 0.000 1.008 335 I CA -0.591 60.776 61.300 0.112 0.000 1.104 335 I CB 1.818 39.860 38.000 0.070 0.000 1.264 335 I HN 0.607 nan 8.210 nan 0.000 0.438 336 Q N 6.001 125.879 119.800 0.129 0.000 2.274 336 Q HA 0.445 4.774 4.340 -0.019 0.000 0.256 336 Q C -1.607 174.384 176.000 -0.016 0.000 0.927 336 Q CA -0.360 55.564 55.803 0.202 0.000 0.939 336 Q CB 1.399 30.393 28.738 0.427 0.000 1.201 336 Q HN 0.733 nan 8.270 nan 0.000 0.426 337 L N 4.526 125.782 121.223 0.055 0.000 2.255 337 L HA 0.348 4.676 4.340 -0.019 0.000 0.289 337 L C -0.445 176.441 176.870 0.027 0.000 1.046 337 L CA -0.222 54.630 54.840 0.020 0.000 0.816 337 L CB 0.648 42.758 42.059 0.084 0.000 1.197 337 L HN 0.631 nan 8.230 nan 0.000 0.427 338 N N 3.960 122.592 118.700 -0.113 0.000 2.521 338 N HA 0.191 4.920 4.740 -0.019 0.000 0.236 338 N C -0.033 175.488 175.510 0.018 0.000 1.067 338 N CA 0.383 53.425 53.050 -0.013 0.000 0.939 338 N CB 0.095 38.503 38.487 -0.132 0.000 1.201 338 N HN 0.581 nan 8.380 nan 0.000 0.511 339 D N 0.444 120.939 120.400 0.159 0.000 3.876 339 D HA -0.227 4.401 4.640 -0.019 0.000 0.275 339 D C -0.120 176.249 176.300 0.115 0.000 2.055 339 D CA 0.896 54.985 54.000 0.148 0.000 1.173 339 D CB -0.586 40.090 40.800 -0.206 0.000 0.929 339 D HN 0.392 nan 8.370 nan 0.000 1.134 340 T N -0.927 113.652 114.554 0.042 0.000 3.105 340 T HA 0.167 4.506 4.350 -0.019 0.000 0.253 340 T C 1.308 176.100 174.700 0.154 0.000 1.047 340 T CA 0.937 63.053 62.100 0.027 0.000 0.944 340 T CB -0.290 68.573 68.868 -0.008 0.000 1.016 340 T HN 0.329 nan 8.240 nan 0.000 0.544 341 H N 1.076 120.223 119.070 0.128 0.000 2.456 341 H HA 0.004 4.548 4.556 -0.019 0.000 0.296 341 H C -1.111 174.288 175.328 0.118 0.000 1.079 341 H CA 0.472 56.611 56.048 0.152 0.000 1.322 341 H CB -0.331 29.527 29.762 0.161 0.000 1.388 341 H HN 0.351 nan 8.280 nan 0.000 0.538 342 P HA 0.063 nan 4.420 nan 0.000 0.259 342 P C 0.879 178.198 177.300 0.032 0.000 1.530 342 P CA 0.236 63.390 63.100 0.090 0.000 1.022 342 P CB 0.439 32.176 31.700 0.062 0.000 1.514 343 S N -0.484 115.227 115.700 0.017 0.000 2.440 343 S HA -0.144 4.315 4.470 -0.019 0.000 0.238 343 S C 1.670 176.250 174.600 -0.034 0.000 1.010 343 S CA 0.907 59.078 58.200 -0.047 0.000 0.972 343 S CB -1.088 62.065 63.200 -0.079 0.000 0.774 343 S HN 0.016 nan 8.310 nan 0.000 0.501 344 L N 1.738 122.955 121.223 -0.010 0.000 2.362 344 L HA 0.227 4.555 4.340 -0.019 0.000 0.219 344 L C 2.736 179.612 176.870 0.010 0.000 1.134 344 L CA 0.647 55.483 54.840 -0.007 0.000 0.807 344 L CB -1.808 40.255 42.059 0.007 0.000 0.927 344 L HN 0.449 nan 8.230 nan 0.000 0.447 345 A N -0.326 122.485 122.820 -0.016 0.000 1.986 345 A HA -0.220 4.089 4.320 -0.019 0.000 0.220 345 A C 2.107 179.669 177.584 -0.037 0.000 1.171 345 A CA 1.587 53.602 52.037 -0.037 0.000 0.640 345 A CB -0.438 18.536 19.000 -0.044 0.000 0.811 345 A HN 0.285 nan 8.150 nan 0.000 0.451 346 I N -0.038 120.514 120.570 -0.032 0.000 2.110 346 I HA -0.110 4.049 4.170 -0.019 0.000 0.236 346 I C -0.444 175.679 176.117 0.010 0.000 1.068 346 I CA 0.976 62.260 61.300 -0.027 0.000 1.333 346 I CB -2.472 35.520 38.000 -0.013 0.000 1.054 346 I HN 0.150 nan 8.210 nan 0.000 0.402 347 P HA -0.113 nan 4.420 nan 0.000 0.223 347 P C 1.533 178.857 177.300 0.040 0.000 1.151 347 P CA 1.030 64.152 63.100 0.037 0.000 0.787 347 P CB 0.181 31.923 31.700 0.070 0.000 0.788 348 E N -0.318 119.949 120.200 0.112 0.000 2.076 348 E HA -0.118 4.221 4.350 -0.019 0.000 0.190 348 E C 1.737 178.314 176.600 -0.038 0.000 0.979 348 E CA 0.723 57.199 56.400 0.127 0.000 0.807 348 E CB -1.152 28.634 29.700 0.144 0.000 0.761 348 E HN -0.033 nan 8.360 nan 0.000 0.454 349 L N 0.097 121.266 121.223 -0.091 0.000 2.056 349 L HA -0.060 4.268 4.340 -0.019 0.000 0.207 349 L C 1.991 178.724 176.870 -0.229 0.000 1.078 349 L CA 1.610 56.340 54.840 -0.183 0.000 0.749 349 L CB -0.615 41.331 42.059 -0.187 0.000 0.901 349 L HN 0.220 nan 8.230 nan 0.000 0.433 350 M N -0.856 118.633 119.600 -0.185 0.000 2.108 350 M HA -0.233 4.235 4.480 -0.019 0.000 0.261 350 M C 2.402 178.569 176.300 -0.222 0.000 1.066 350 M CA 1.499 56.661 55.300 -0.230 0.000 1.107 350 M CB -1.258 31.218 32.600 -0.208 0.000 1.356 350 M HN 0.308 nan 8.290 nan 0.000 0.406 351 R N -0.145 120.238 120.500 -0.196 0.000 2.073 351 R HA -0.112 4.216 4.340 -0.019 0.000 0.234 351 R C 2.141 178.339 176.300 -0.170 0.000 1.134 351 R CA 1.508 57.485 56.100 -0.205 0.000 0.952 351 R CB -0.122 30.015 30.300 -0.272 0.000 0.850 351 R HN 0.209 nan 8.270 nan 0.000 0.433 352 V N 1.461 121.273 119.914 -0.170 0.000 2.270 352 V HA -0.249 3.860 4.120 -0.019 0.000 0.245 352 V C 2.430 178.363 176.094 -0.267 0.000 1.043 352 V CA 1.673 63.862 62.300 -0.185 0.000 1.014 352 V CB -0.421 31.295 31.823 -0.178 0.000 0.645 352 V HN 0.335 nan 8.190 nan 0.000 0.447 353 L N -0.633 120.372 121.223 -0.363 0.000 2.042 353 L HA -0.178 4.150 4.340 -0.019 0.000 0.210 353 L C 2.400 179.104 176.870 -0.277 0.000 1.076 353 L CA 1.342 55.918 54.840 -0.440 0.000 0.749 353 L CB -0.600 41.176 42.059 -0.473 0.000 0.893 353 L HN 0.202 nan 8.230 nan 0.000 0.432 354 V N -0.789 119.002 119.914 -0.204 0.000 2.374 354 V HA -0.163 3.946 4.120 -0.019 0.000 0.241 354 V C 1.882 177.927 176.094 -0.081 0.000 1.034 354 V CA 1.601 63.834 62.300 -0.112 0.000 1.037 354 V CB -0.185 31.594 31.823 -0.074 0.000 0.682 354 V HN 0.338 nan 8.190 nan 0.000 0.463 355 D N -0.355 119.988 120.400 -0.095 0.000 2.162 355 D HA -0.041 4.588 4.640 -0.019 0.000 0.203 355 D C 1.786 178.043 176.300 -0.072 0.000 0.967 355 D CA 0.969 54.923 54.000 -0.077 0.000 0.840 355 D CB 0.108 40.855 40.800 -0.088 0.000 0.972 355 D HN 0.218 nan 8.370 nan 0.000 0.482 356 L N 0.384 121.551 121.223 -0.094 0.000 2.269 356 L HA 0.102 4.431 4.340 -0.019 0.000 0.200 356 L C 1.893 178.720 176.870 -0.072 0.000 1.069 356 L CA 1.028 55.823 54.840 -0.076 0.000 0.804 356 L CB -0.137 41.873 42.059 -0.081 0.000 0.987 356 L HN -0.141 nan 8.230 nan 0.000 0.468 357 E N 0.077 120.203 120.200 -0.123 0.000 2.447 357 E HA 0.078 4.416 4.350 -0.019 0.000 0.195 357 E C 0.100 176.663 176.600 -0.062 0.000 1.028 357 E CA -0.063 56.279 56.400 -0.098 0.000 0.876 357 E CB 0.188 29.734 29.700 -0.257 0.000 0.885 357 E HN 0.254 nan 8.360 nan 0.000 0.500 358 R N 0.421 120.879 120.500 -0.070 0.000 3.336 358 R HA -0.187 4.142 4.340 -0.019 0.000 0.260 358 R C -0.333 175.955 176.300 -0.020 0.000 1.032 358 R CA 0.057 56.137 56.100 -0.033 0.000 0.693 358 R CB -2.213 28.081 30.300 -0.010 0.000 1.134 358 R HN 0.067 nan 8.270 nan 0.000 0.433 359 L N 0.359 121.551 121.223 -0.053 0.000 2.468 359 L HA 0.167 4.495 4.340 -0.019 0.000 0.254 359 L C 0.683 177.557 176.870 0.006 0.000 1.171 359 L CA 0.216 55.038 54.840 -0.031 0.000 0.809 359 L CB 0.622 42.629 42.059 -0.087 0.000 1.155 359 L HN 0.074 nan 8.230 nan 0.000 0.473 360 D N -0.780 119.645 120.400 0.041 0.000 2.283 360 D HA 0.031 4.660 4.640 -0.019 0.000 0.248 360 D C 0.077 176.462 176.300 0.141 0.000 1.072 360 D CA -0.224 53.834 54.000 0.096 0.000 0.929 360 D CB 0.582 41.438 40.800 0.093 0.000 1.182 360 D HN 0.435 nan 8.370 nan 0.000 0.433 361 W N 1.054 122.356 121.300 0.003 0.000 2.338 361 W HA -0.187 4.461 4.660 -0.019 0.000 0.304 361 W C 1.492 178.052 176.519 0.068 0.000 1.212 361 W CA 1.303 58.655 57.345 0.011 0.000 1.264 361 W CB 0.135 29.582 29.460 -0.023 0.000 1.142 361 W HN 0.432 nan 8.180 nan 0.000 0.512 362 D N -0.225 120.430 120.400 0.426 0.000 2.117 362 D HA -0.177 4.451 4.640 -0.019 0.000 0.198 362 D C 1.890 178.327 176.300 0.227 0.000 0.982 362 D CA 1.413 55.635 54.000 0.371 0.000 0.828 362 D CB -0.386 40.577 40.800 0.272 0.000 0.967 362 D HN 0.043 nan 8.370 nan 0.000 0.464 363 K N 1.227 121.715 120.400 0.146 0.000 2.097 363 K HA -0.012 4.296 4.320 -0.019 0.000 0.205 363 K C 1.738 178.347 176.600 0.014 0.000 1.050 363 K CA 1.267 57.602 56.287 0.080 0.000 0.938 363 K CB -0.342 32.200 32.500 0.070 0.000 0.718 363 K HN 0.006 nan 8.250 nan 0.000 0.442 364 A N -0.163 122.633 122.820 -0.040 0.000 1.970 364 A HA -0.099 4.209 4.320 -0.019 0.000 0.216 364 A C 2.130 179.625 177.584 -0.148 0.000 1.170 364 A CA 0.943 52.887 52.037 -0.156 0.000 0.645 364 A CB -0.956 17.903 19.000 -0.236 0.000 0.816 364 A HN 0.653 nan 8.150 nan 0.000 0.447 365 W N 1.382 122.477 121.300 -0.342 0.000 2.388 365 W HA -0.189 4.460 4.660 -0.019 0.000 0.294 365 W C 2.018 178.449 176.519 -0.147 0.000 1.212 365 W CA 1.698 58.835 57.345 -0.346 0.000 1.271 365 W CB 0.067 29.298 29.460 -0.383 0.000 1.126 365 W HN 0.677 nan 8.180 nan 0.000 0.535 366 E N 0.140 120.298 120.200 -0.070 0.000 2.106 366 E HA -0.190 4.149 4.350 -0.019 0.000 0.192 366 E C 1.885 178.400 176.600 -0.141 0.000 0.984 366 E CA 1.699 58.036 56.400 -0.105 0.000 0.806 366 E CB -0.827 28.886 29.700 0.021 0.000 0.750 366 E HN 0.032 nan 8.360 nan 0.000 0.458 367 V N 1.330 121.176 119.914 -0.113 0.000 2.307 367 V HA -0.255 3.854 4.120 -0.019 0.000 0.245 367 V C 2.409 178.414 176.094 -0.148 0.000 1.045 367 V CA 2.230 64.474 62.300 -0.094 0.000 1.024 367 V CB -0.796 30.965 31.823 -0.102 0.000 0.651 367 V HN 0.461 nan 8.190 nan 0.000 0.449 368 T N -0.016 114.382 114.554 -0.260 0.000 2.684 368 T HA -0.202 4.136 4.350 -0.019 0.000 0.267 368 T C 1.930 176.432 174.700 -0.331 0.000 1.036 368 T CA 1.812 63.731 62.100 -0.301 0.000 1.148 368 T CB -0.336 68.303 68.868 -0.381 0.000 0.863 368 T HN 0.266 nan 8.240 nan 0.000 0.436 369 V N 1.228 120.833 119.914 -0.514 0.000 2.343 369 V HA -0.164 3.945 4.120 -0.019 0.000 0.247 369 V C 2.330 178.387 176.094 -0.062 0.000 1.051 369 V CA 1.665 63.745 62.300 -0.368 0.000 1.036 369 V CB -0.454 31.060 31.823 -0.514 0.000 0.654 369 V HN 0.448 nan 8.190 nan 0.000 0.451 370 K N -0.739 119.590 120.400 -0.118 0.000 2.439 370 K HA -0.056 4.253 4.320 -0.019 0.000 0.197 370 K C 1.995 178.507 176.600 -0.148 0.000 1.041 370 K CA 1.226 57.401 56.287 -0.187 0.000 0.970 370 K CB -0.098 32.312 32.500 -0.150 0.000 0.773 370 K HN 0.432 nan 8.250 nan 0.000 0.479 371 T N -0.104 114.459 114.554 0.015 0.000 3.031 371 T HA 0.057 4.396 4.350 -0.019 0.000 0.254 371 T C 0.714 175.528 174.700 0.190 0.000 1.060 371 T CA 0.280 62.439 62.100 0.097 0.000 1.135 371 T CB 0.191 69.156 68.868 0.161 0.000 0.896 371 T HN 0.159 nan 8.240 nan 0.000 0.472 372 C N 2.210 121.613 119.300 0.172 0.000 2.370 372 C HA 0.904 5.353 4.460 -0.019 0.000 0.354 372 C C 0.507 175.566 174.990 0.116 0.000 1.218 372 C CA -0.981 58.113 59.018 0.126 0.000 2.154 372 C CB 0.406 28.139 27.740 -0.012 0.000 2.391 372 C HN 0.595 nan 8.230 nan 0.000 0.540 373 A N 1.629 124.495 122.820 0.077 0.000 2.594 373 A HA 0.758 5.067 4.320 -0.019 0.000 0.295 373 A C -1.806 175.853 177.584 0.124 0.000 1.071 373 A CA -0.366 51.665 52.037 -0.011 0.000 0.685 373 A CB 1.207 20.235 19.000 0.047 0.000 1.285 373 A HN 0.971 nan 8.150 nan 0.000 0.405 374 Y N 0.782 121.038 120.300 -0.074 0.000 2.406 374 Y HA 0.675 5.214 4.550 -0.019 0.000 0.340 374 Y C -0.681 175.203 175.900 -0.027 0.000 0.975 374 Y CA -0.620 57.446 58.100 -0.057 0.000 1.056 374 Y CB 2.000 40.379 38.460 -0.135 0.000 1.210 374 Y HN 0.599 nan 8.280 nan 0.000 0.448 375 T N 6.779 121.220 114.554 -0.188 0.000 2.767 375 T HA 0.252 4.591 4.350 -0.019 0.000 0.284 375 T C -0.562 173.760 174.700 -0.631 0.000 0.973 375 T CA -0.742 61.154 62.100 -0.341 0.000 0.996 375 T CB 0.367 69.196 68.868 -0.065 0.000 0.927 375 T HN 0.670 nan 8.240 nan 0.000 0.456 376 N N 1.594 119.898 118.700 -0.659 0.000 2.456 376 N HA 0.121 4.850 4.740 -0.019 0.000 0.288 376 N C 0.088 175.527 175.510 -0.118 0.000 1.059 376 N CA -0.371 52.502 53.050 -0.294 0.000 0.946 376 N CB 0.830 39.261 38.487 -0.093 0.000 1.150 376 N HN 0.628 nan 8.380 nan 0.000 0.479 377 H N 0.943 120.062 119.070 0.082 0.000 2.874 377 H HA 0.149 4.694 4.556 -0.019 0.000 0.264 377 H C -0.083 175.205 175.328 -0.065 0.000 1.007 377 H CA 0.265 56.316 56.048 0.005 0.000 1.207 377 H CB 1.098 30.860 29.762 0.001 0.000 1.487 377 H HN 0.569 nan 8.280 nan 0.000 0.505 378 T N -0.306 114.330 114.554 0.137 0.000 2.830 378 T HA 0.260 4.599 4.350 -0.019 0.000 0.322 378 T C 0.607 175.380 174.700 0.121 0.000 1.501 378 T CA -0.274 61.853 62.100 0.045 0.000 1.036 378 T CB 1.147 70.005 68.868 -0.017 0.000 1.379 378 T HN -0.094 nan 8.240 nan 0.000 0.493 379 V N 0.959 120.905 119.914 0.053 0.000 3.661 379 V HA 0.534 4.642 4.120 -0.019 0.000 0.271 379 V C 0.971 177.044 176.094 -0.034 0.000 1.315 379 V CA 0.055 62.355 62.300 -0.000 0.000 1.072 379 V CB -0.711 31.102 31.823 -0.017 0.000 0.830 379 V HN 0.745 nan 8.190 nan 0.000 0.443 380 I N 3.476 124.010 120.570 -0.058 0.000 2.668 380 I HA 0.132 4.291 4.170 -0.019 0.000 0.285 380 I C -0.461 175.646 176.117 -0.017 0.000 1.168 380 I CA -1.164 60.105 61.300 -0.051 0.000 1.424 380 I CB 0.682 38.591 38.000 -0.152 0.000 1.377 380 I HN 0.089 nan 8.210 nan 0.000 0.560 381 P HA -0.221 nan 4.420 nan 0.000 0.215 381 P C 1.004 178.289 177.300 -0.024 0.000 1.153 381 P CA 1.425 64.519 63.100 -0.010 0.000 0.853 381 P CB -0.031 31.669 31.700 0.000 0.000 0.788 382 E N 0.511 120.716 120.200 0.010 0.000 2.478 382 E HA -0.034 4.305 4.350 -0.019 0.000 0.198 382 E C 1.620 178.154 176.600 -0.111 0.000 1.046 382 E CA 0.924 57.298 56.400 -0.043 0.000 0.870 382 E CB -0.780 28.983 29.700 0.104 0.000 0.818 382 E HN 0.195 nan 8.360 nan 0.000 0.527 383 A N 1.186 123.996 122.820 -0.017 0.000 2.081 383 A HA 0.142 4.451 4.320 -0.019 0.000 0.214 383 A C 1.288 178.861 177.584 -0.020 0.000 1.158 383 A CA -0.040 52.012 52.037 0.025 0.000 0.724 383 A CB -0.254 18.781 19.000 0.059 0.000 0.826 383 A HN 0.303 nan 8.150 nan 0.000 0.463 384 L N 0.444 121.608 121.223 -0.099 0.000 2.426 384 L HA 0.332 4.661 4.340 -0.019 0.000 0.271 384 L C 0.083 176.603 176.870 -0.583 0.000 1.169 384 L CA -0.008 54.710 54.840 -0.202 0.000 0.836 384 L CB 0.415 42.390 42.059 -0.140 0.000 1.112 384 L HN 0.332 nan 8.230 nan 0.000 0.465 385 E N 4.710 124.488 120.200 -0.704 0.000 2.081 385 E HA 0.358 4.697 4.350 -0.019 0.000 0.276 385 E C -0.954 174.998 176.600 -1.080 0.000 0.950 385 E CA -0.353 55.215 56.400 -1.387 0.000 0.776 385 E CB 0.461 29.819 29.700 -0.569 0.000 1.094 385 E HN 0.606 nan 8.360 nan 0.000 0.402 386 R N 4.693 124.355 120.500 -1.396 0.000 2.415 386 R HA 0.185 4.514 4.340 -0.019 0.000 0.292 386 R C -1.339 174.808 176.300 -0.255 0.000 1.295 386 R CA -0.574 55.206 56.100 -0.533 0.000 1.137 386 R CB 0.790 30.895 30.300 -0.326 0.000 1.135 386 R HN 0.531 nan 8.270 nan 0.000 0.560 387 W N 4.437 125.697 121.300 -0.067 0.000 2.304 387 W HA 0.202 4.851 4.660 -0.019 0.000 0.313 387 W C -1.798 174.717 176.519 -0.007 0.000 1.323 387 W CA -1.944 55.431 57.345 0.051 0.000 1.223 387 W CB 0.723 30.180 29.460 -0.004 0.000 1.237 387 W HN 0.249 nan 8.180 nan 0.000 0.535 388 P HA -0.160 nan 4.420 nan 0.000 0.256 388 P C 0.901 178.164 177.300 -0.062 0.000 1.173 388 P CA 0.470 63.573 63.100 0.006 0.000 0.768 388 P CB 0.382 31.957 31.700 -0.208 0.000 0.758 389 V N 2.872 122.795 119.914 0.015 0.000 2.626 389 V HA -0.271 3.837 4.120 -0.019 0.000 0.252 389 V C 1.886 178.001 176.094 0.035 0.000 1.067 389 V CA 2.094 64.411 62.300 0.027 0.000 1.081 389 V CB -1.849 30.041 31.823 0.111 0.000 0.686 389 V HN 0.619 nan 8.190 nan 0.000 0.468 390 H N -0.158 118.975 119.070 0.105 0.000 2.422 390 H HA -0.096 4.449 4.556 -0.019 0.000 0.298 390 H C 1.816 177.200 175.328 0.092 0.000 1.098 390 H CA 2.168 58.274 56.048 0.096 0.000 1.315 390 H CB -0.611 29.207 29.762 0.094 0.000 1.382 390 H HN 0.449 nan 8.280 nan 0.000 0.523 391 L N -0.106 120.941 121.223 -0.293 0.000 2.162 391 L HA 0.142 4.470 4.340 -0.019 0.000 0.205 391 L C 2.160 178.977 176.870 -0.088 0.000 1.086 391 L CA 1.001 55.762 54.840 -0.132 0.000 0.778 391 L CB -0.472 41.448 42.059 -0.233 0.000 0.928 391 L HN 0.394 nan 8.230 nan 0.000 0.446 392 L N -0.495 120.661 121.223 -0.112 0.000 2.109 392 L HA -0.155 4.174 4.340 -0.019 0.000 0.207 392 L C 2.321 179.123 176.870 -0.114 0.000 1.086 392 L CA 1.382 56.129 54.840 -0.156 0.000 0.760 392 L CB -0.359 41.598 42.059 -0.170 0.000 0.910 392 L HN 0.422 nan 8.230 nan 0.000 0.437 393 E N -1.628 118.551 120.200 -0.036 0.000 2.385 393 E HA -0.068 4.270 4.350 -0.019 0.000 0.194 393 E C 1.687 178.324 176.600 0.063 0.000 1.013 393 E CA 0.898 57.295 56.400 -0.006 0.000 0.866 393 E CB -0.231 29.491 29.700 0.037 0.000 0.832 393 E HN 0.253 nan 8.360 nan 0.000 0.500 394 T N 1.593 116.214 114.554 0.112 0.000 2.674 394 T HA -0.125 4.213 4.350 -0.019 0.000 0.265 394 T C 1.660 176.484 174.700 0.205 0.000 1.039 394 T CA 1.168 63.392 62.100 0.207 0.000 1.150 394 T CB -0.166 68.859 68.868 0.262 0.000 0.864 394 T HN 0.075 nan 8.240 nan 0.000 0.427 395 L N -0.170 121.066 121.223 0.023 0.000 2.162 395 L HA 0.343 4.671 4.340 -0.019 0.000 0.205 395 L C 0.340 177.132 176.870 -0.130 0.000 1.086 395 L CA 1.568 56.285 54.840 -0.204 0.000 0.778 395 L CB -0.074 41.845 42.059 -0.233 0.000 0.928 395 L HN 0.196 nan 8.230 nan 0.000 0.446 396 L N 0.795 121.908 121.223 -0.184 0.000 2.502 396 L HA 0.309 4.638 4.340 -0.019 0.000 0.249 396 L C -1.735 174.940 176.870 -0.325 0.000 1.446 396 L CA -0.815 53.818 54.840 -0.344 0.000 0.887 396 L CB 1.097 42.798 42.059 -0.596 0.000 1.126 396 L HN -0.102 nan 8.230 nan 0.000 0.509 397 P HA -0.178 nan 4.420 nan 0.000 0.218 397 P C 1.426 178.548 177.300 -0.298 0.000 1.149 397 P CA 1.099 64.094 63.100 -0.175 0.000 0.817 397 P CB 0.437 32.123 31.700 -0.023 0.000 0.785 398 R N -0.389 119.752 120.500 -0.598 0.000 2.093 398 R HA -0.089 4.240 4.340 -0.019 0.000 0.224 398 R C 2.296 178.279 176.300 -0.528 0.000 1.101 398 R CA 1.383 57.140 56.100 -0.572 0.000 0.979 398 R CB -1.185 28.615 30.300 -0.833 0.000 0.877 398 R HN 0.222 nan 8.270 nan 0.000 0.441 399 H N -0.487 118.280 119.070 -0.504 0.000 2.428 399 H HA 0.009 4.554 4.556 -0.019 0.000 0.296 399 H C 1.699 176.833 175.328 -0.324 0.000 1.062 399 H CA 1.462 57.280 56.048 -0.383 0.000 1.350 399 H CB 0.015 29.509 29.762 -0.446 0.000 1.403 399 H HN 0.085 nan 8.280 nan 0.000 0.533 400 L N 0.360 121.430 121.223 -0.256 0.000 2.141 400 L HA -0.212 4.117 4.340 -0.019 0.000 0.209 400 L C 1.893 178.512 176.870 -0.418 0.000 1.094 400 L CA 1.350 55.951 54.840 -0.399 0.000 0.763 400 L CB -0.215 41.622 42.059 -0.370 0.000 0.908 400 L HN 0.414 nan 8.230 nan 0.000 0.437 401 Q N -0.318 119.379 119.800 -0.171 0.000 2.084 401 Q HA -0.210 4.119 4.340 -0.019 0.000 0.202 401 Q C 2.204 178.212 176.000 0.014 0.000 0.978 401 Q CA 1.530 57.338 55.803 0.008 0.000 0.844 401 Q CB 0.016 28.775 28.738 0.034 0.000 0.898 401 Q HN 0.517 nan 8.270 nan 0.000 0.426 402 I N 0.207 120.741 120.570 -0.060 0.000 2.252 402 I HA -0.260 3.899 4.170 -0.019 0.000 0.245 402 I C 2.005 178.137 176.117 0.025 0.000 1.102 402 I CA 0.986 62.295 61.300 0.015 0.000 1.385 402 I CB -0.089 37.863 38.000 -0.081 0.000 1.064 402 I HN 0.219 nan 8.210 nan 0.000 0.414 403 I N -0.442 120.080 120.570 -0.080 0.000 2.394 403 I HA -0.297 3.861 4.170 -0.019 0.000 0.251 403 I C 2.269 178.391 176.117 0.009 0.000 1.136 403 I CA 1.240 62.497 61.300 -0.072 0.000 1.425 403 I CB -0.325 37.573 38.000 -0.170 0.000 1.079 403 I HN 0.194 nan 8.210 nan 0.000 0.425 404 Y N 0.750 121.056 120.300 0.010 0.000 2.242 404 Y HA -0.209 4.329 4.550 -0.019 0.000 0.291 404 Y C 2.589 178.472 175.900 -0.028 0.000 1.137 404 Y CA 1.058 59.156 58.100 -0.003 0.000 1.181 404 Y CB -0.717 37.734 38.460 -0.015 0.000 0.989 404 Y HN 0.129 nan 8.280 nan 0.000 0.527 405 E N 0.584 120.860 120.200 0.126 0.000 2.028 405 E HA -0.140 4.199 4.350 -0.019 0.000 0.191 405 E C 2.202 178.753 176.600 -0.081 0.000 0.988 405 E CA 1.274 57.641 56.400 -0.055 0.000 0.799 405 E CB -0.622 29.023 29.700 -0.090 0.000 0.755 405 E HN 0.431 nan 8.360 nan 0.000 0.447 406 I N 0.972 121.596 120.570 0.091 0.000 2.145 406 I HA -0.374 3.785 4.170 -0.019 0.000 0.244 406 I C 2.291 178.447 176.117 0.065 0.000 1.075 406 I CA 1.683 63.004 61.300 0.035 0.000 1.332 406 I CB -0.475 37.501 38.000 -0.041 0.000 1.033 406 I HN 0.212 nan 8.210 nan 0.000 0.410 407 N N 0.543 119.315 118.700 0.119 0.000 2.149 407 N HA -0.252 4.477 4.740 -0.019 0.000 0.188 407 N C 1.826 177.429 175.510 0.155 0.000 1.019 407 N CA 1.569 54.733 53.050 0.190 0.000 0.857 407 N CB -0.097 38.509 38.487 0.199 0.000 0.997 407 N HN 0.328 nan 8.380 nan 0.000 0.426 408 Q N -0.106 119.729 119.800 0.057 0.000 2.016 408 Q HA 0.024 4.353 4.340 -0.019 0.000 0.200 408 Q C 2.018 177.999 176.000 -0.032 0.000 0.978 408 Q CA 1.349 57.145 55.803 -0.012 0.000 0.833 408 Q CB 0.026 28.718 28.738 -0.078 0.000 0.895 408 Q HN 0.324 nan 8.270 nan 0.000 0.427 409 R N -0.771 119.680 120.500 -0.081 0.000 2.152 409 R HA -0.131 4.197 4.340 -0.019 0.000 0.232 409 R C 2.016 178.356 176.300 0.067 0.000 1.117 409 R CA 1.034 57.091 56.100 -0.071 0.000 0.981 409 R CB -0.203 29.982 30.300 -0.192 0.000 0.870 409 R HN 0.276 nan 8.270 nan 0.000 0.451 410 F N 0.979 120.928 119.950 -0.003 0.000 2.187 410 F HA 0.013 4.528 4.527 -0.019 0.000 0.295 410 F C 1.774 177.607 175.800 0.055 0.000 1.091 410 F CA 1.019 59.061 58.000 0.070 0.000 1.308 410 F CB -0.080 38.988 39.000 0.112 0.000 1.030 410 F HN -0.150 nan 8.300 nan 0.000 0.487 411 L N 0.163 121.361 121.223 -0.042 0.000 2.376 411 L HA -0.126 4.202 4.340 -0.019 0.000 0.219 411 L C 1.384 178.188 176.870 -0.111 0.000 1.133 411 L CA 0.649 55.413 54.840 -0.127 0.000 0.816 411 L CB -0.689 41.366 42.059 -0.007 0.000 0.933 411 L HN 0.122 nan 8.230 nan 0.000 0.449 412 N N -0.156 118.498 118.700 -0.076 0.000 2.459 412 N HA -0.061 4.668 4.740 -0.019 0.000 0.181 412 N C 1.764 177.230 175.510 -0.073 0.000 1.046 412 N CA 0.602 53.613 53.050 -0.066 0.000 0.904 412 N CB 0.061 38.515 38.487 -0.054 0.000 0.964 412 N HN 0.202 nan 8.380 nan 0.000 0.444 413 R N -0.320 120.115 120.500 -0.109 0.000 2.100 413 R HA 0.123 4.451 4.340 -0.019 0.000 0.220 413 R C 1.662 177.893 176.300 -0.115 0.000 1.091 413 R CA 0.491 56.533 56.100 -0.096 0.000 0.986 413 R CB -0.254 29.999 30.300 -0.078 0.000 0.888 413 R HN 0.079 nan 8.270 nan 0.000 0.444 414 V N 1.388 121.180 119.914 -0.203 0.000 2.223 414 V HA -0.247 3.862 4.120 -0.019 0.000 0.244 414 V C 2.544 178.670 176.094 0.055 0.000 1.045 414 V CA 2.053 64.312 62.300 -0.068 0.000 1.000 414 V CB -0.884 30.784 31.823 -0.258 0.000 0.635 414 V HN 0.354 nan 8.190 nan 0.000 0.445 415 A N 0.137 122.944 122.820 -0.021 0.000 1.915 415 A HA -0.312 3.997 4.320 -0.019 0.000 0.220 415 A C 2.377 179.953 177.584 -0.013 0.000 1.198 415 A CA 2.972 55.006 52.037 -0.006 0.000 0.647 415 A CB -1.018 17.963 19.000 -0.031 0.000 0.825 415 A HN 0.673 nan 8.150 nan 0.000 0.456 416 A N -0.999 121.796 122.820 -0.041 0.000 1.930 416 A HA 0.279 4.587 4.320 -0.019 0.000 0.217 416 A C 2.408 179.928 177.584 -0.107 0.000 1.175 416 A CA 1.933 53.934 52.037 -0.060 0.000 0.627 416 A CB -0.752 18.215 19.000 -0.056 0.000 0.815 416 A HN 1.151 nan 8.150 nan 0.000 0.443 417 A N -1.761 120.962 122.820 -0.161 0.000 2.021 417 A HA 0.385 4.693 4.320 -0.019 0.000 0.216 417 A C 0.483 177.700 177.584 -0.612 0.000 1.163 417 A CA 0.366 52.164 52.037 -0.398 0.000 0.676 417 A CB -0.177 18.500 19.000 -0.538 0.000 0.818 417 A HN 0.403 nan 8.150 nan 0.000 0.453 418 F N 0.051 119.957 119.950 -0.074 0.000 2.471 418 F HA 0.333 4.849 4.527 -0.019 0.000 0.318 418 F C -2.682 173.083 175.800 -0.059 0.000 1.308 418 F CA -2.639 55.321 58.000 -0.066 0.000 1.162 418 F CB 0.645 39.596 39.000 -0.080 0.000 1.383 418 F HN -0.055 nan 8.300 nan 0.000 0.552 419 P HA 0.139 nan 4.420 nan 0.000 0.257 419 P C 0.950 178.267 177.300 0.028 0.000 1.189 419 P CA 1.179 64.290 63.100 0.018 0.000 0.780 419 P CB 0.429 32.121 31.700 -0.013 0.000 0.772 420 G N 2.918 111.731 108.800 0.021 0.000 2.195 420 G HA2 -0.208 3.740 3.960 -0.019 0.000 0.224 420 G HA3 -0.208 3.740 3.960 -0.019 0.000 0.224 420 G C 0.196 175.104 174.900 0.013 0.000 0.990 420 G CA -0.221 44.886 45.100 0.012 0.000 0.639 420 G HN 0.576 nan 8.290 nan 0.000 0.514 421 D N 1.453 121.869 120.400 0.026 0.000 2.517 421 D HA 0.472 5.101 4.640 -0.019 0.000 0.220 421 D C 1.710 177.997 176.300 -0.022 0.000 1.158 421 D CA 0.040 54.041 54.000 0.003 0.000 0.992 421 D CB 0.660 41.462 40.800 0.004 0.000 1.058 421 D HN 0.096 nan 8.370 nan 0.000 0.516 422 V N 2.727 122.630 119.914 -0.018 0.000 2.759 422 V HA -0.128 3.981 4.120 -0.019 0.000 0.256 422 V C 1.881 177.957 176.094 -0.029 0.000 1.080 422 V CA 1.178 63.465 62.300 -0.021 0.000 1.101 422 V CB -0.153 31.663 31.823 -0.013 0.000 0.698 422 V HN 0.502 nan 8.190 nan 0.000 0.477 423 D N -0.346 120.032 120.400 -0.037 0.000 2.289 423 D HA -0.074 4.555 4.640 -0.019 0.000 0.207 423 D C 2.299 178.560 176.300 -0.065 0.000 0.966 423 D CA 0.494 54.470 54.000 -0.039 0.000 0.868 423 D CB 0.208 40.989 40.800 -0.033 0.000 0.943 423 D HN 0.344 nan 8.370 nan 0.000 0.514 424 R N 0.431 120.867 120.500 -0.107 0.000 2.073 424 R HA -0.141 4.187 4.340 -0.019 0.000 0.234 424 R C 2.196 178.404 176.300 -0.153 0.000 1.134 424 R CA 0.814 56.805 56.100 -0.181 0.000 0.952 424 R CB -0.135 29.999 30.300 -0.277 0.000 0.850 424 R HN -0.001 nan 8.270 nan 0.000 0.433 425 L N 1.226 122.385 121.223 -0.106 0.000 1.997 425 L HA -0.239 4.090 4.340 -0.019 0.000 0.216 425 L C 2.556 179.410 176.870 -0.026 0.000 1.074 425 L CA 2.236 57.034 54.840 -0.069 0.000 0.763 425 L CB -0.987 41.048 42.059 -0.041 0.000 0.890 425 L HN 0.307 nan 8.230 nan 0.000 0.434 426 R N -0.604 119.889 120.500 -0.012 0.000 2.148 426 R HA -0.064 4.265 4.340 -0.019 0.000 0.227 426 R C 2.091 178.420 176.300 0.049 0.000 1.103 426 R CA 1.125 57.239 56.100 0.024 0.000 0.983 426 R CB -0.569 29.742 30.300 0.019 0.000 0.874 426 R HN 0.245 nan 8.270 nan 0.000 0.451 427 R N -0.157 120.354 120.500 0.020 0.000 2.161 427 R HA 0.192 4.521 4.340 -0.019 0.000 0.213 427 R C 1.901 178.240 176.300 0.065 0.000 1.055 427 R CA 1.353 57.486 56.100 0.054 0.000 0.996 427 R CB -0.107 30.196 30.300 0.004 0.000 0.901 427 R HN 0.293 nan 8.270 nan 0.000 0.456 428 M N 0.256 119.829 119.600 -0.045 0.000 2.541 428 M HA 0.048 4.517 4.480 -0.019 0.000 0.252 428 M C 0.719 177.095 176.300 0.126 0.000 1.125 428 M CA 0.110 55.340 55.300 -0.115 0.000 1.091 428 M CB 0.471 32.894 32.600 -0.296 0.000 1.420 428 M HN -0.081 nan 8.290 nan 0.000 0.486 429 S N 0.839 116.647 115.700 0.181 0.000 2.558 429 S HA 0.085 4.544 4.470 -0.019 0.000 0.288 429 S C 1.115 175.948 174.600 0.388 0.000 1.318 429 S CA -0.232 58.121 58.200 0.254 0.000 1.056 429 S CB 0.537 63.844 63.200 0.179 0.000 0.853 429 S HN 0.352 nan 8.310 nan 0.000 0.505 430 L N 3.917 125.340 121.223 0.333 0.000 2.418 430 L HA 0.169 4.498 4.340 -0.019 0.000 0.218 430 L C 0.117 177.113 176.870 0.210 0.000 1.125 430 L CA 0.101 55.120 54.840 0.299 0.000 0.835 430 L CB -0.389 41.777 42.059 0.178 0.000 0.953 430 L HN 0.334 nan 8.230 nan 0.000 0.454 431 V N 0.832 120.872 119.914 0.209 0.000 2.333 431 V HA 0.161 4.270 4.120 -0.019 0.000 0.274 431 V C 0.069 176.254 176.094 0.152 0.000 1.028 431 V CA -0.472 61.936 62.300 0.180 0.000 0.851 431 V CB 1.158 33.107 31.823 0.210 0.000 1.000 431 V HN 0.175 nan 8.190 nan 0.000 0.456 432 E N 3.880 124.154 120.200 0.123 0.000 1.996 432 E HA 0.192 4.531 4.350 -0.019 0.000 0.280 432 E C -0.168 176.486 176.600 0.090 0.000 1.092 432 E CA -0.346 56.115 56.400 0.102 0.000 0.862 432 E CB 0.597 30.341 29.700 0.074 0.000 1.066 432 E HN 0.563 nan 8.360 nan 0.000 0.396 433 E N 1.833 122.083 120.200 0.084 0.000 2.324 433 E HA 0.339 4.678 4.350 -0.019 0.000 0.271 433 E C 0.076 176.712 176.600 0.061 0.000 1.028 433 E CA 0.062 56.504 56.400 0.070 0.000 0.890 433 E CB 1.540 31.274 29.700 0.056 0.000 1.004 433 E HN 0.677 nan 8.360 nan 0.000 0.431 434 G N 0.557 109.393 108.800 0.060 0.000 2.506 434 G HA2 0.430 4.378 3.960 -0.019 0.000 0.292 434 G HA3 0.430 4.378 3.960 -0.019 0.000 0.292 434 G C -1.335 173.598 174.900 0.056 0.000 1.425 434 G CA -0.279 44.852 45.100 0.053 0.000 0.788 434 G HN 0.421 nan 8.290 nan 0.000 0.490 435 A N 0.091 122.941 122.820 0.050 0.000 2.915 435 A HA 0.627 4.935 4.320 -0.019 0.000 0.292 435 A C 0.274 177.897 177.584 0.064 0.000 1.632 435 A CA 0.085 52.153 52.037 0.051 0.000 1.337 435 A CB -0.686 18.339 19.000 0.040 0.000 1.111 435 A HN 1.993 nan 8.150 nan 0.000 0.569 436 V N 2.574 122.538 119.914 0.082 0.000 2.848 436 V HA -0.103 4.006 4.120 -0.019 0.000 0.391 436 V C 0.067 176.225 176.094 0.106 0.000 0.703 436 V CA -0.364 62.004 62.300 0.114 0.000 1.904 436 V CB -0.815 31.080 31.823 0.120 0.000 2.406 436 V HN 0.962 nan 8.190 nan 0.000 0.476 437 K N 4.889 125.358 120.400 0.114 0.000 2.451 437 K HA 0.400 4.709 4.320 -0.019 0.000 0.280 437 K C 0.207 176.877 176.600 0.116 0.000 1.020 437 K CA 0.035 56.389 56.287 0.112 0.000 1.008 437 K CB 0.562 33.135 32.500 0.122 0.000 0.917 437 K HN 0.663 nan 8.250 nan 0.000 0.478 438 R N 2.894 123.455 120.500 0.102 0.000 2.836 438 R HA 0.500 4.828 4.340 -0.019 0.000 0.269 438 R C -0.740 175.609 176.300 0.082 0.000 1.010 438 R CA -1.126 55.028 56.100 0.089 0.000 0.930 438 R CB 1.055 31.392 30.300 0.061 0.000 1.218 438 R HN 0.361 nan 8.270 nan 0.000 0.473 439 I N 1.802 122.415 120.570 0.073 0.000 2.378 439 I HA 0.175 4.334 4.170 -0.019 0.000 0.291 439 I C -0.234 175.878 176.117 -0.010 0.000 0.992 439 I CA -0.943 60.388 61.300 0.051 0.000 1.154 439 I CB 1.189 39.214 38.000 0.041 0.000 1.315 439 I HN 0.517 nan 8.210 nan 0.000 0.448 440 N N 7.102 125.769 118.700 -0.054 0.000 2.402 440 N HA 0.093 4.821 4.740 -0.019 0.000 0.252 440 N C 0.811 176.209 175.510 -0.187 0.000 1.118 440 N CA -0.279 52.654 53.050 -0.195 0.000 0.945 440 N CB 0.897 39.181 38.487 -0.339 0.000 1.147 440 N HN 0.369 nan 8.380 nan 0.000 0.495 441 M N 2.345 121.843 119.600 -0.171 0.000 2.374 441 M HA -0.049 4.419 4.480 -0.019 0.000 0.264 441 M C 1.743 177.889 176.300 -0.256 0.000 1.067 441 M CA 0.623 55.838 55.300 -0.142 0.000 1.103 441 M CB -1.367 31.201 32.600 -0.053 0.000 1.402 441 M HN 0.609 nan 8.290 nan 0.000 0.444 442 A N -1.097 121.551 122.820 -0.288 0.000 2.016 442 A HA -0.110 4.199 4.320 -0.019 0.000 0.217 442 A C 1.878 179.207 177.584 -0.425 0.000 1.162 442 A CA 0.966 52.780 52.037 -0.371 0.000 0.662 442 A CB -0.952 18.013 19.000 -0.059 0.000 0.812 442 A HN 0.572 nan 8.150 nan 0.000 0.450 443 H N -1.089 117.782 119.070 -0.333 0.000 2.428 443 H HA 0.052 4.597 4.556 -0.019 0.000 0.296 443 H C 2.047 177.166 175.328 -0.348 0.000 1.062 443 H CA 0.774 56.600 56.048 -0.371 0.000 1.350 443 H CB 0.063 29.800 29.762 -0.041 0.000 1.403 443 H HN 0.336 nan 8.280 nan 0.000 0.533 444 L N 0.241 121.382 121.223 -0.138 0.000 1.994 444 L HA -0.230 4.098 4.340 -0.019 0.000 0.208 444 L C 2.216 178.949 176.870 -0.230 0.000 1.071 444 L CA 1.355 56.111 54.840 -0.140 0.000 0.745 444 L CB -0.380 41.616 42.059 -0.104 0.000 0.892 444 L HN 0.467 nan 8.230 nan 0.000 0.431 445 C N 0.014 119.075 119.300 -0.399 0.000 2.429 445 C HA -0.184 4.265 4.460 -0.019 0.000 0.277 445 C C 2.685 177.418 174.990 -0.429 0.000 1.262 445 C CA 0.526 59.223 59.018 -0.536 0.000 1.733 445 C CB -0.789 26.251 27.740 -1.166 0.000 2.010 445 C HN 0.490 nan 8.230 nan 0.000 0.483 446 I N 1.487 121.777 120.570 -0.466 0.000 2.179 446 I HA -0.218 3.941 4.170 -0.019 0.000 0.242 446 I C 2.794 178.772 176.117 -0.231 0.000 1.088 446 I CA 1.712 62.797 61.300 -0.359 0.000 1.357 446 I CB -0.662 36.978 38.000 -0.600 0.000 1.051 446 I HN 0.273 nan 8.210 nan 0.000 0.409 447 A N 0.646 123.297 122.820 -0.281 0.000 1.940 447 A HA -0.123 4.186 4.320 -0.019 0.000 0.219 447 A C 2.227 179.821 177.584 0.018 0.000 1.176 447 A CA 1.982 53.877 52.037 -0.237 0.000 0.631 447 A CB -1.156 17.526 19.000 -0.530 0.000 0.814 447 A HN 0.498 nan 8.150 nan 0.000 0.446 448 G N -1.207 107.554 108.800 -0.066 0.000 3.189 448 G HA2 0.397 4.346 3.960 -0.019 0.000 0.225 448 G HA3 0.397 4.346 3.960 -0.019 0.000 0.225 448 G C 0.169 174.884 174.900 -0.308 0.000 1.159 448 G CA 0.493 45.409 45.100 -0.307 0.000 0.763 448 G HN 0.367 nan 8.290 nan 0.000 0.549 449 S N 0.193 115.783 115.700 -0.183 0.000 2.537 449 S HA 0.323 4.781 4.470 -0.019 0.000 0.301 449 S C 0.815 175.359 174.600 -0.095 0.000 1.092 449 S CA -0.696 57.426 58.200 -0.129 0.000 1.048 449 S CB 1.161 64.289 63.200 -0.119 0.000 1.053 449 S HN 0.509 nan 8.310 nan 0.000 0.501 450 H N -0.125 118.910 119.070 -0.057 0.000 2.548 450 H HA 0.493 5.038 4.556 -0.019 0.000 0.265 450 H C 0.173 175.496 175.328 -0.009 0.000 0.969 450 H CA 0.223 56.264 56.048 -0.012 0.000 1.155 450 H CB -0.031 29.733 29.762 0.003 0.000 1.394 450 H HN 0.525 nan 8.280 nan 0.000 0.570 451 A N 0.851 123.350 122.820 -0.535 0.000 2.520 451 A HA 0.580 4.889 4.320 -0.019 0.000 0.298 451 A C -1.366 176.023 177.584 -0.326 0.000 1.051 451 A CA -0.581 51.221 52.037 -0.392 0.000 0.690 451 A CB 2.207 20.972 19.000 -0.391 0.000 1.281 451 A HN 0.086 nan 8.150 nan 0.000 0.402 452 V N 3.691 123.380 119.914 -0.376 0.000 2.638 452 V HA 0.612 4.720 4.120 -0.019 0.000 0.306 452 V C -0.748 175.150 176.094 -0.326 0.000 1.052 452 V CA -0.729 61.330 62.300 -0.401 0.000 0.885 452 V CB 1.941 33.374 31.823 -0.650 0.000 0.999 452 V HN 1.053 nan 8.190 nan 0.000 0.424 453 N N 2.539 121.070 118.700 -0.280 0.000 2.277 453 N HA 0.582 5.311 4.740 -0.019 0.000 0.286 453 N C -0.445 174.980 175.510 -0.143 0.000 1.140 453 N CA -0.420 52.520 53.050 -0.182 0.000 0.799 453 N CB 2.874 41.231 38.487 -0.215 0.000 1.596 453 N HN 0.695 nan 8.380 nan 0.000 0.473 454 G N -0.662 108.101 108.800 -0.062 0.000 2.488 454 G HA2 0.426 4.374 3.960 -0.019 0.000 0.318 454 G HA3 0.426 4.374 3.960 -0.019 0.000 0.318 454 G C 0.839 175.824 174.900 0.141 0.000 1.188 454 G CA -0.601 44.539 45.100 0.066 0.000 0.944 454 G HN 0.629 nan 8.290 nan 0.000 0.495 455 V N -2.970 117.121 119.914 0.294 0.000 3.542 455 V HA 0.679 4.788 4.120 -0.019 0.000 0.296 455 V C 0.629 176.810 176.094 0.145 0.000 1.364 455 V CA 0.368 62.760 62.300 0.155 0.000 1.118 455 V CB -0.956 30.900 31.823 0.055 0.000 0.972 455 V HN 1.332 nan 8.190 nan 0.000 0.430 456 A N 0.978 123.898 122.820 0.166 0.000 2.599 456 A HA 0.651 4.959 4.320 -0.019 0.000 0.294 456 A C 0.642 178.289 177.584 0.106 0.000 1.055 456 A CA -0.245 51.866 52.037 0.124 0.000 0.683 456 A CB 1.038 20.098 19.000 0.100 0.000 1.278 456 A HN 0.303 nan 8.150 nan 0.000 0.412 457 R N 0.784 121.322 120.500 0.064 0.000 2.115 457 R HA -0.074 4.255 4.340 -0.019 0.000 0.230 457 R C 1.303 177.612 176.300 0.014 0.000 1.111 457 R CA 2.008 58.124 56.100 0.027 0.000 0.976 457 R CB -0.336 29.972 30.300 0.012 0.000 0.870 457 R HN 0.613 nan 8.270 nan 0.000 0.445 458 I N 1.327 121.915 120.570 0.030 0.000 2.252 458 I HA -0.185 3.973 4.170 -0.019 0.000 0.245 458 I C 2.261 178.399 176.117 0.035 0.000 1.102 458 I CA 1.603 62.913 61.300 0.016 0.000 1.385 458 I CB -0.596 37.413 38.000 0.015 0.000 1.064 458 I HN 0.337 nan 8.210 nan 0.000 0.414 459 H N -0.068 118.987 119.070 -0.025 0.000 2.293 459 H HA -0.099 4.446 4.556 -0.019 0.000 0.300 459 H C 2.285 177.592 175.328 -0.035 0.000 1.082 459 H CA 2.253 58.284 56.048 -0.029 0.000 1.308 459 H CB -0.414 29.340 29.762 -0.012 0.000 1.375 459 H HN 0.286 nan 8.280 nan 0.000 0.495 460 S N 0.075 115.684 115.700 -0.152 0.000 2.400 460 S HA -0.128 4.331 4.470 -0.019 0.000 0.232 460 S C 1.871 176.370 174.600 -0.169 0.000 1.025 460 S CA 1.254 59.343 58.200 -0.185 0.000 0.993 460 S CB -0.106 63.056 63.200 -0.065 0.000 0.808 460 S HN 0.477 nan 8.310 nan 0.000 0.478 461 E N 0.811 120.930 120.200 -0.135 0.000 2.158 461 E HA 0.102 4.441 4.350 -0.019 0.000 0.191 461 E C 1.932 178.425 176.600 -0.179 0.000 0.982 461 E CA 0.378 56.683 56.400 -0.159 0.000 0.823 461 E CB -0.227 29.407 29.700 -0.109 0.000 0.766 461 E HN 0.493 nan 8.360 nan 0.000 0.468 462 I N 0.812 121.288 120.570 -0.156 0.000 2.361 462 I HA -0.247 3.911 4.170 -0.019 0.000 0.251 462 I C 2.223 178.212 176.117 -0.214 0.000 1.133 462 I CA 0.653 61.862 61.300 -0.152 0.000 1.413 462 I CB -0.038 37.906 38.000 -0.094 0.000 1.073 462 I HN 0.070 nan 8.210 nan 0.000 0.424 463 L N 0.164 121.226 121.223 -0.269 0.000 2.056 463 L HA -0.211 4.118 4.340 -0.019 0.000 0.207 463 L C 2.439 179.162 176.870 -0.246 0.000 1.078 463 L CA 1.495 56.166 54.840 -0.283 0.000 0.749 463 L CB -0.582 41.380 42.059 -0.163 0.000 0.901 463 L HN 0.176 nan 8.230 nan 0.000 0.433 464 K N -0.279 119.926 120.400 -0.325 0.000 2.155 464 K HA -0.091 4.218 4.320 -0.019 0.000 0.203 464 K C 1.910 178.290 176.600 -0.366 0.000 1.052 464 K CA 0.733 56.691 56.287 -0.549 0.000 0.948 464 K CB 0.111 32.084 32.500 -0.879 0.000 0.728 464 K HN 0.092 nan 8.250 nan 0.000 0.448 465 K N -0.175 120.072 120.400 -0.256 0.000 2.356 465 K HA 0.099 4.408 4.320 -0.019 0.000 0.195 465 K C 1.240 177.771 176.600 -0.114 0.000 1.037 465 K CA 0.772 56.964 56.287 -0.159 0.000 1.014 465 K CB 0.879 33.299 32.500 -0.132 0.000 0.815 465 K HN 0.091 nan 8.250 nan 0.000 0.507 466 T N 0.229 114.703 114.554 -0.133 0.000 3.431 466 T HA 0.148 4.487 4.350 -0.019 0.000 0.207 466 T C 1.866 176.493 174.700 -0.121 0.000 0.979 466 T CA 0.042 62.079 62.100 -0.106 0.000 1.141 466 T CB -0.272 68.532 68.868 -0.106 0.000 1.278 466 T HN 0.048 nan 8.240 nan 0.000 0.334 467 I N -0.258 120.167 120.570 -0.242 0.000 2.286 467 I HA 0.067 4.226 4.170 -0.019 0.000 0.248 467 I C 0.933 176.956 176.117 -0.157 0.000 1.115 467 I CA 1.682 62.792 61.300 -0.316 0.000 1.392 467 I CB -0.397 37.184 38.000 -0.700 0.000 1.065 467 I HN 0.081 nan 8.210 nan 0.000 0.418 468 F N 2.247 122.274 119.950 0.129 0.000 2.855 468 F HA 0.292 4.808 4.527 -0.019 0.000 0.317 468 F C 1.788 177.695 175.800 0.177 0.000 1.169 468 F CA -1.367 56.808 58.000 0.291 0.000 1.299 468 F CB -0.466 38.710 39.000 0.294 0.000 0.962 468 F HN 0.071 nan 8.300 nan 0.000 0.506 469 K N -0.459 120.045 120.400 0.172 0.000 2.057 469 K HA -0.140 4.168 4.320 -0.019 0.000 0.207 469 K C 0.912 177.559 176.600 0.079 0.000 1.049 469 K CA 1.772 58.106 56.287 0.078 0.000 0.931 469 K CB -0.324 32.182 32.500 0.010 0.000 0.714 469 K HN 0.096 nan 8.250 nan 0.000 0.440 470 D N 0.752 121.157 120.400 0.007 0.000 2.158 470 D HA -0.153 4.476 4.640 -0.019 0.000 0.197 470 D C 1.877 178.030 176.300 -0.246 0.000 0.995 470 D CA 1.280 55.143 54.000 -0.228 0.000 0.846 470 D CB -0.247 40.313 40.800 -0.400 0.000 0.941 470 D HN 0.244 nan 8.370 nan 0.000 0.456 471 F N -0.200 119.828 119.950 0.129 0.000 2.163 471 F HA -0.108 4.408 4.527 -0.019 0.000 0.297 471 F C 2.367 178.307 175.800 0.233 0.000 1.094 471 F CA 0.402 58.558 58.000 0.260 0.000 1.290 471 F CB -0.727 38.531 39.000 0.429 0.000 1.017 471 F HN -0.061 nan 8.300 nan 0.000 0.483 472 Y N 1.798 122.096 120.300 -0.003 0.000 2.181 472 Y HA -0.221 4.318 4.550 -0.019 0.000 0.288 472 Y C 2.400 178.293 175.900 -0.012 0.000 1.146 472 Y CA 1.978 59.907 58.100 -0.285 0.000 1.164 472 Y CB -0.579 37.490 38.460 -0.651 0.000 0.982 472 Y HN 0.246 nan 8.280 nan 0.000 0.515 473 E N -0.616 119.515 120.200 -0.116 0.000 2.158 473 E HA -0.167 4.172 4.350 -0.019 0.000 0.191 473 E C 2.102 178.756 176.600 0.090 0.000 0.982 473 E CA 1.142 57.497 56.400 -0.074 0.000 0.823 473 E CB -0.688 29.049 29.700 0.063 0.000 0.766 473 E HN 0.475 nan 8.360 nan 0.000 0.468 474 L N 1.355 122.676 121.223 0.164 0.000 2.017 474 L HA -0.082 4.247 4.340 -0.019 0.000 0.208 474 L C 0.623 177.555 176.870 0.104 0.000 1.073 474 L CA 1.785 56.763 54.840 0.229 0.000 0.745 474 L CB 0.084 42.266 42.059 0.204 0.000 0.894 474 L HN 0.020 nan 8.230 nan 0.000 0.432 475 E N -1.199 119.025 120.200 0.040 0.000 3.374 475 E HA 0.161 4.499 4.350 -0.019 0.000 0.223 475 E C -1.992 174.424 176.600 -0.306 0.000 1.210 475 E CA -1.342 54.911 56.400 -0.246 0.000 0.987 475 E CB 0.961 30.539 29.700 -0.204 0.000 1.322 475 E HN 0.183 nan 8.360 nan 0.000 0.404 476 P HA -0.276 nan 4.420 nan 0.000 0.216 476 P C 1.317 178.671 177.300 0.089 0.000 1.154 476 P CA 1.395 64.276 63.100 -0.365 0.000 0.865 476 P CB -0.103 31.397 31.700 -0.334 0.000 0.789 477 H N -0.057 119.094 119.070 0.134 0.000 2.457 477 H HA -0.046 4.498 4.556 -0.019 0.000 0.297 477 H C 1.465 176.877 175.328 0.141 0.000 1.092 477 H CA 1.161 57.290 56.048 0.135 0.000 1.309 477 H CB -0.709 29.106 29.762 0.089 0.000 1.382 477 H HN 0.157 nan 8.280 nan 0.000 0.535 478 K N 0.332 120.722 120.400 -0.017 0.000 2.148 478 K HA 0.000 4.309 4.320 -0.019 0.000 0.204 478 K C -0.037 176.422 176.600 -0.236 0.000 1.050 478 K CA 0.478 56.681 56.287 -0.140 0.000 0.942 478 K CB 0.016 32.281 32.500 -0.393 0.000 0.724 478 K HN 0.090 nan 8.250 nan 0.000 0.446 479 F N 1.710 121.723 119.950 0.105 0.000 2.427 479 F HA 0.170 4.686 4.527 -0.019 0.000 0.352 479 F C 0.531 176.362 175.800 0.051 0.000 1.100 479 F CA -0.075 57.988 58.000 0.106 0.000 1.191 479 F CB 0.858 39.994 39.000 0.226 0.000 1.128 479 F HN -0.069 nan 8.300 nan 0.000 0.533 480 Q N 1.706 121.563 119.800 0.095 0.000 2.683 480 Q HA 0.386 4.714 4.340 -0.019 0.000 0.302 480 Q C -1.276 174.705 176.000 -0.033 0.000 1.042 480 Q CA -1.299 54.505 55.803 0.003 0.000 0.773 480 Q CB 3.184 31.863 28.738 -0.099 0.000 1.508 480 Q HN 0.635 nan 8.270 nan 0.000 0.459 481 N N 0.506 119.164 118.700 -0.069 0.000 2.240 481 N HA 0.295 5.024 4.740 -0.019 0.000 0.302 481 N C -1.568 173.860 175.510 -0.135 0.000 1.106 481 N CA -0.436 52.570 53.050 -0.072 0.000 0.778 481 N CB 1.396 39.862 38.487 -0.035 0.000 1.431 481 N HN 0.292 nan 8.380 nan 0.000 0.479 482 K N 2.508 122.832 120.400 -0.127 0.000 2.723 482 K HA 0.203 4.512 4.320 -0.019 0.000 0.229 482 K C -0.926 175.696 176.600 0.036 0.000 1.022 482 K CA -0.466 55.731 56.287 -0.151 0.000 1.045 482 K CB 1.110 33.327 32.500 -0.471 0.000 1.227 482 K HN 0.578 nan 8.250 nan 0.000 0.516 483 T N 1.801 116.394 114.554 0.066 0.000 2.946 483 T HA 0.043 4.382 4.350 -0.019 0.000 0.311 483 T C 0.842 175.670 174.700 0.213 0.000 1.063 483 T CA 0.340 62.525 62.100 0.141 0.000 1.139 483 T CB 0.410 69.367 68.868 0.148 0.000 0.994 483 T HN 0.357 nan 8.240 nan 0.000 0.547 484 N N 0.164 119.010 118.700 0.243 0.000 2.288 484 N HA 0.450 5.178 4.740 -0.019 0.000 0.237 484 N C 0.420 176.102 175.510 0.287 0.000 1.311 484 N CA -0.391 52.832 53.050 0.287 0.000 0.909 484 N CB 0.411 39.019 38.487 0.202 0.000 1.167 484 N HN 0.757 nan 8.380 nan 0.000 0.476 485 G N -0.413 108.562 108.800 0.291 0.000 2.695 485 G HA2 0.612 4.561 3.960 -0.019 0.000 0.290 485 G HA3 0.612 4.561 3.960 -0.019 0.000 0.290 485 G C -1.646 173.382 174.900 0.212 0.000 1.410 485 G CA -0.298 44.956 45.100 0.255 0.000 0.844 485 G HN 0.269 nan 8.290 nan 0.000 0.478 486 I N 0.064 120.745 120.570 0.186 0.000 2.689 486 I HA 0.523 4.682 4.170 -0.019 0.000 0.299 486 I C 0.078 176.352 176.117 0.260 0.000 1.059 486 I CA -0.696 60.707 61.300 0.173 0.000 1.055 486 I CB 2.185 40.192 38.000 0.012 0.000 1.243 486 I HN 0.446 nan 8.210 nan 0.000 0.425 487 T N 6.632 121.420 114.554 0.391 0.000 2.771 487 T HA 0.380 4.719 4.350 -0.019 0.000 0.291 487 T C -1.720 173.105 174.700 0.207 0.000 0.954 487 T CA -1.688 60.550 62.100 0.229 0.000 1.045 487 T CB 1.052 70.001 68.868 0.134 0.000 0.917 487 T HN 0.353 nan 8.240 nan 0.000 0.484 488 P HA 0.084 nan 4.420 nan 0.000 0.237 488 P C 1.023 178.293 177.300 -0.050 0.000 1.178 488 P CA 0.320 63.456 63.100 0.060 0.000 0.766 488 P CB 0.391 32.113 31.700 0.037 0.000 0.876 489 R N 0.327 120.756 120.500 -0.118 0.000 2.051 489 R HA 0.052 4.380 4.340 -0.019 0.000 0.225 489 R C 2.693 178.880 176.300 -0.188 0.000 1.155 489 R CA 1.419 57.410 56.100 -0.182 0.000 0.945 489 R CB -0.967 29.233 30.300 -0.167 0.000 0.840 489 R HN 0.019 nan 8.270 nan 0.000 0.432 490 R N -0.719 119.602 120.500 -0.298 0.000 2.092 490 R HA -0.118 4.210 4.340 -0.019 0.000 0.231 490 R C 1.216 177.205 176.300 -0.519 0.000 1.119 490 R CA 1.634 57.413 56.100 -0.535 0.000 0.970 490 R CB -0.199 29.582 30.300 -0.865 0.000 0.864 490 R HN 0.316 nan 8.270 nan 0.000 0.440 491 W N -0.346 120.914 121.300 -0.067 0.000 3.256 491 W HA 0.133 4.781 4.660 -0.020 0.000 0.269 491 W C 1.080 177.571 176.519 -0.046 0.000 1.310 491 W CA -0.776 56.529 57.345 -0.066 0.000 1.673 491 W CB 0.450 29.878 29.460 -0.054 0.000 1.115 491 W HN 0.230 nan 8.180 nan 0.000 0.686 492 L N -1.649 119.640 121.223 0.111 0.000 3.358 492 L HA 0.225 4.554 4.340 -0.019 0.000 0.169 492 L C 1.730 178.620 176.870 0.033 0.000 1.158 492 L CA 0.806 55.701 54.840 0.092 0.000 0.861 492 L CB -1.082 41.054 42.059 0.128 0.000 1.597 492 L HN -0.239 nan 8.230 nan 0.000 0.580 493 V N 0.653 120.563 119.914 -0.006 0.000 2.515 493 V HA -0.148 3.960 4.120 -0.019 0.000 0.250 493 V C 2.209 178.277 176.094 -0.043 0.000 1.058 493 V CA 2.212 64.501 62.300 -0.018 0.000 1.064 493 V CB -0.133 31.657 31.823 -0.056 0.000 0.675 493 V HN 0.503 nan 8.190 nan 0.000 0.461 494 L N 0.486 121.654 121.223 -0.091 0.000 2.007 494 L HA -0.141 4.188 4.340 -0.019 0.000 0.205 494 L C 2.705 179.512 176.870 -0.105 0.000 1.073 494 L CA 2.450 57.219 54.840 -0.117 0.000 0.744 494 L CB -0.460 41.482 42.059 -0.196 0.000 0.898 494 L HN 0.652 nan 8.230 nan 0.000 0.435 495 C N -1.094 118.137 119.300 -0.115 0.000 2.500 495 C HA 0.145 4.594 4.460 -0.019 0.000 0.273 495 C C 1.067 176.044 174.990 -0.022 0.000 1.428 495 C CA -0.278 58.697 59.018 -0.071 0.000 1.766 495 C CB -1.320 26.386 27.740 -0.057 0.000 1.817 495 C HN 0.606 nan 8.230 nan 0.000 0.543 496 N N 0.963 119.661 118.700 -0.003 0.000 2.725 496 N HA 0.333 5.062 4.740 -0.019 0.000 0.248 496 N C -2.384 173.138 175.510 0.021 0.000 1.402 496 N CA -1.418 51.640 53.050 0.013 0.000 0.766 496 N CB 1.162 39.665 38.487 0.026 0.000 1.223 496 N HN 0.138 nan 8.380 nan 0.000 0.515 497 P HA 0.126 nan 4.420 nan 0.000 0.224 497 P C 1.345 178.661 177.300 0.028 0.000 1.157 497 P CA 0.496 63.608 63.100 0.020 0.000 0.799 497 P CB 0.410 32.115 31.700 0.008 0.000 0.809 498 G N 0.860 109.672 108.800 0.019 0.000 2.433 498 G HA2 -0.247 3.702 3.960 -0.019 0.000 0.216 498 G HA3 -0.247 3.702 3.960 -0.019 0.000 0.216 498 G C 1.431 176.342 174.900 0.018 0.000 1.186 498 G CA 0.670 45.779 45.100 0.016 0.000 0.779 498 G HN 0.213 nan 8.290 nan 0.000 0.543 499 L N 1.505 122.737 121.223 0.015 0.000 2.017 499 L HA 0.106 4.435 4.340 -0.019 0.000 0.208 499 L C 3.083 179.981 176.870 0.048 0.000 1.073 499 L CA 2.259 57.105 54.840 0.010 0.000 0.745 499 L CB -0.837 41.226 42.059 0.007 0.000 0.894 499 L HN 0.253 nan 8.230 nan 0.000 0.432 500 A N -0.801 122.071 122.820 0.086 0.000 1.933 500 A HA -0.279 4.030 4.320 -0.019 0.000 0.218 500 A C 2.281 179.960 177.584 0.158 0.000 1.175 500 A CA 1.780 53.922 52.037 0.174 0.000 0.628 500 A CB -0.728 18.370 19.000 0.165 0.000 0.814 500 A HN 0.663 nan 8.150 nan 0.000 0.444 501 E N 0.561 120.817 120.200 0.094 0.000 2.017 501 E HA -0.215 4.123 4.350 -0.019 0.000 0.193 501 E C 1.958 178.603 176.600 0.075 0.000 0.997 501 E CA 1.824 58.270 56.400 0.076 0.000 0.804 501 E CB -0.464 29.264 29.700 0.047 0.000 0.757 501 E HN 0.738 nan 8.360 nan 0.000 0.448 502 I N -1.108 119.506 120.570 0.074 0.000 2.361 502 I HA -0.193 3.966 4.170 -0.019 0.000 0.251 502 I C 2.264 178.477 176.117 0.161 0.000 1.133 502 I CA 1.212 62.584 61.300 0.121 0.000 1.413 502 I CB -0.379 37.700 38.000 0.131 0.000 1.073 502 I HN 0.130 nan 8.210 nan 0.000 0.424 503 I N 1.821 122.451 120.570 0.099 0.000 2.193 503 I HA -0.166 3.993 4.170 -0.019 0.000 0.240 503 I C 3.038 179.103 176.117 -0.086 0.000 1.084 503 I CA 1.301 62.583 61.300 -0.030 0.000 1.365 503 I CB -0.509 37.358 38.000 -0.222 0.000 1.064 503 I HN 0.284 nan 8.210 nan 0.000 0.410 504 A N 0.326 123.184 122.820 0.063 0.000 1.908 504 A HA -0.290 4.018 4.320 -0.019 0.000 0.218 504 A C 2.269 179.879 177.584 0.044 0.000 1.181 504 A CA 2.021 54.149 52.037 0.151 0.000 0.627 504 A CB -0.751 18.378 19.000 0.215 0.000 0.818 504 A HN 0.515 nan 8.150 nan 0.000 0.445 505 E N -0.811 119.399 120.200 0.016 0.000 2.219 505 E HA -0.241 4.098 4.350 -0.019 0.000 0.198 505 E C 1.962 178.518 176.600 -0.074 0.000 0.998 505 E CA 1.256 57.648 56.400 -0.012 0.000 0.818 505 E CB 0.061 29.765 29.700 0.007 0.000 0.741 505 E HN 0.487 nan 8.360 nan 0.000 0.477 506 R N -0.280 120.113 120.500 -0.180 0.000 2.121 506 R HA 0.106 4.434 4.340 -0.019 0.000 0.206 506 R C 2.406 178.595 176.300 -0.186 0.000 1.094 506 R CA 0.980 56.892 56.100 -0.312 0.000 1.055 506 R CB -0.349 29.416 30.300 -0.892 0.000 0.964 506 R HN 0.360 nan 8.270 nan 0.000 0.473 507 I N -2.643 117.831 120.570 -0.160 0.000 4.018 507 I HA 0.443 4.602 4.170 -0.019 0.000 0.337 507 I C 0.575 176.711 176.117 0.032 0.000 1.327 507 I CA 0.221 61.487 61.300 -0.056 0.000 1.100 507 I CB 0.714 38.664 38.000 -0.083 0.000 1.025 507 I HN 0.178 nan 8.210 nan 0.000 0.396 508 G N 1.979 110.815 108.800 0.060 0.000 2.610 508 G HA2 -0.195 3.753 3.960 -0.019 0.000 0.304 508 G HA3 -0.195 3.753 3.960 -0.019 0.000 0.304 508 G C -0.149 174.887 174.900 0.227 0.000 1.309 508 G CA 0.064 45.228 45.100 0.107 0.000 0.906 508 G HN 0.401 nan 8.290 nan 0.000 0.521 509 E N -0.523 119.762 120.200 0.141 0.000 2.498 509 E HA 0.167 4.506 4.350 -0.019 0.000 0.203 509 E C 1.641 178.202 176.600 -0.065 0.000 1.013 509 E CA 0.302 56.718 56.400 0.027 0.000 0.927 509 E CB 0.598 30.299 29.700 0.003 0.000 1.012 509 E HN 0.445 nan 8.360 nan 0.000 0.482 510 E N 0.238 120.464 120.200 0.044 0.000 2.409 510 E HA -0.172 4.167 4.350 -0.019 0.000 0.198 510 E C 1.340 177.943 176.600 0.005 0.000 1.024 510 E CA 0.715 57.129 56.400 0.023 0.000 0.861 510 E CB -0.123 29.609 29.700 0.054 0.000 0.788 510 E HN 0.504 nan 8.360 nan 0.000 0.521 511 Y N -1.884 118.411 120.300 -0.009 0.000 2.509 511 Y HA 0.098 4.637 4.550 -0.017 0.000 0.293 511 Y C 1.462 177.326 175.900 -0.060 0.000 1.133 511 Y CA 0.435 58.520 58.100 -0.024 0.000 1.283 511 Y CB -0.431 38.019 38.460 -0.016 0.000 1.001 511 Y HN -0.012 nan 8.280 nan 0.000 0.555 512 I N 0.612 120.807 120.570 -0.626 0.000 2.761 512 I HA -0.143 4.016 4.170 -0.019 0.000 0.261 512 I C 1.403 177.283 176.117 -0.394 0.000 1.198 512 I CA 1.243 62.175 61.300 -0.613 0.000 1.482 512 I CB -0.171 37.277 38.000 -0.919 0.000 1.100 512 I HN 0.303 nan 8.210 nan 0.000 0.445 513 S N -1.605 113.959 115.700 -0.226 0.000 2.578 513 S HA 0.168 4.626 4.470 -0.019 0.000 0.231 513 S C 0.314 174.896 174.600 -0.031 0.000 0.994 513 S CA -0.340 57.806 58.200 -0.091 0.000 0.956 513 S CB 0.252 63.460 63.200 0.013 0.000 0.870 513 S HN 0.304 nan 8.310 nan 0.000 0.494 514 D N 0.799 121.189 120.400 -0.016 0.000 2.978 514 D HA 0.241 4.869 4.640 -0.019 0.000 0.268 514 D C 0.624 176.961 176.300 0.061 0.000 1.252 514 D CA -0.338 53.674 54.000 0.021 0.000 0.771 514 D CB -0.267 40.550 40.800 0.027 0.000 1.361 514 D HN 0.059 nan 8.370 nan 0.000 0.558 515 L N 0.459 121.718 121.223 0.060 0.000 2.127 515 L HA -0.126 4.203 4.340 -0.019 0.000 0.211 515 L C 1.224 178.137 176.870 0.071 0.000 1.089 515 L CA 1.196 56.098 54.840 0.104 0.000 0.757 515 L CB 0.009 42.118 42.059 0.084 0.000 0.899 515 L HN 0.358 nan 8.230 nan 0.000 0.434 516 D N -0.260 120.157 120.400 0.028 0.000 2.239 516 D HA -0.254 4.375 4.640 -0.019 0.000 0.202 516 D C 1.998 178.310 176.300 0.021 0.000 0.993 516 D CA 1.022 55.025 54.000 0.005 0.000 0.874 516 D CB -0.048 40.745 40.800 -0.013 0.000 0.922 516 D HN 0.508 nan 8.370 nan 0.000 0.464 517 Q N -0.264 119.564 119.800 0.046 0.000 2.376 517 Q HA -0.168 4.160 4.340 -0.019 0.000 0.211 517 Q C 1.896 177.907 176.000 0.017 0.000 0.986 517 Q CA 0.344 56.177 55.803 0.049 0.000 0.886 517 Q CB -0.021 28.775 28.738 0.098 0.000 0.927 517 Q HN 0.223 nan 8.270 nan 0.000 0.457 518 L N 0.509 121.735 121.223 0.004 0.000 2.353 518 L HA -0.163 4.166 4.340 -0.019 0.000 0.220 518 L C 2.093 178.960 176.870 -0.005 0.000 1.133 518 L CA 1.372 56.188 54.840 -0.041 0.000 0.798 518 L CB -0.410 41.635 42.059 -0.024 0.000 0.922 518 L HN 0.120 nan 8.230 nan 0.000 0.445 519 R N 0.059 120.566 120.500 0.011 0.000 2.117 519 R HA -0.206 4.123 4.340 -0.019 0.000 0.243 519 R C 1.937 178.256 176.300 0.031 0.000 1.143 519 R CA 1.191 57.303 56.100 0.020 0.000 0.968 519 R CB -0.528 29.779 30.300 0.011 0.000 0.863 519 R HN 0.429 nan 8.270 nan 0.000 0.444 520 K N 0.314 120.731 120.400 0.028 0.000 2.442 520 K HA -0.097 4.212 4.320 -0.019 0.000 0.198 520 K C 1.641 178.308 176.600 0.112 0.000 1.044 520 K CA 0.518 56.837 56.287 0.052 0.000 0.948 520 K CB -0.057 32.467 32.500 0.040 0.000 0.762 520 K HN -0.027 nan 8.250 nan 0.000 0.472 521 L N 0.381 121.656 121.223 0.087 0.000 2.418 521 L HA -0.014 4.315 4.340 -0.019 0.000 0.218 521 L C 1.548 178.550 176.870 0.221 0.000 1.125 521 L CA 0.921 55.849 54.840 0.147 0.000 0.835 521 L CB -0.294 41.822 42.059 0.096 0.000 0.953 521 L HN 0.112 nan 8.230 nan 0.000 0.454 522 L N -0.478 120.823 121.223 0.129 0.000 2.191 522 L HA -0.130 4.198 4.340 -0.019 0.000 0.212 522 L C 2.272 179.181 176.870 0.066 0.000 1.103 522 L CA 1.548 56.442 54.840 0.091 0.000 0.769 522 L CB -0.891 41.196 42.059 0.047 0.000 0.908 522 L HN 0.428 nan 8.230 nan 0.000 0.438 523 S N -2.668 113.054 115.700 0.035 0.000 2.754 523 S HA 0.015 4.473 4.470 -0.019 0.000 0.223 523 S C 0.644 175.053 174.600 -0.317 0.000 0.951 523 S CA -0.027 58.090 58.200 -0.139 0.000 0.954 523 S CB -0.549 62.523 63.200 -0.213 0.000 0.780 523 S HN 0.443 nan 8.310 nan 0.000 0.509 524 Y N -0.042 120.245 120.300 -0.022 0.000 2.717 524 Y HA 0.258 4.804 4.550 -0.005 0.000 0.250 524 Y C 1.752 177.736 175.900 0.139 0.000 1.149 524 Y CA -0.617 57.486 58.100 0.005 0.000 1.211 524 Y CB 0.191 38.536 38.460 -0.191 0.000 1.289 524 Y HN 0.252 nan 8.280 nan 0.000 0.552 525 V N -2.630 117.406 119.914 0.202 0.000 2.515 525 V HA -0.097 4.012 4.120 -0.019 0.000 0.250 525 V C 0.192 176.352 176.094 0.109 0.000 1.058 525 V CA 1.492 63.882 62.300 0.151 0.000 1.064 525 V CB -0.007 31.868 31.823 0.087 0.000 0.675 525 V HN 0.149 nan 8.190 nan 0.000 0.461 526 D N 1.762 122.207 120.400 0.075 0.000 2.460 526 D HA 0.459 5.088 4.640 -0.019 0.000 0.268 526 D C -0.921 175.402 176.300 0.039 0.000 1.153 526 D CA 0.211 54.238 54.000 0.045 0.000 0.929 526 D CB 0.879 41.686 40.800 0.011 0.000 1.015 526 D HN 0.529 nan 8.370 nan 0.000 0.502 527 D N 1.424 121.885 120.400 0.101 0.000 2.633 527 D HA -0.042 4.587 4.640 -0.019 0.000 0.198 527 D C 0.344 176.754 176.300 0.183 0.000 1.273 527 D CA -0.227 53.852 54.000 0.131 0.000 0.830 527 D CB 1.631 42.554 40.800 0.205 0.000 1.771 527 D HN -0.055 nan 8.370 nan 0.000 0.547 528 E N 2.069 122.346 120.200 0.128 0.000 2.122 528 E HA 0.022 4.360 4.350 -0.019 0.000 0.190 528 E C 1.666 178.338 176.600 0.120 0.000 0.977 528 E CA 0.862 57.324 56.400 0.103 0.000 0.820 528 E CB 0.302 30.041 29.700 0.065 0.000 0.770 528 E HN 0.572 nan 8.360 nan 0.000 0.462 529 A N 0.786 123.691 122.820 0.142 0.000 1.877 529 A HA -0.176 4.133 4.320 -0.019 0.000 0.216 529 A C 1.993 179.712 177.584 0.224 0.000 1.186 529 A CA 1.025 53.149 52.037 0.145 0.000 0.620 529 A CB -0.781 18.302 19.000 0.137 0.000 0.822 529 A HN 0.258 nan 8.150 nan 0.000 0.443 530 F N 0.705 120.693 119.950 0.063 0.000 2.171 530 F HA -0.132 4.386 4.527 -0.016 0.000 0.300 530 F C 2.016 177.833 175.800 0.028 0.000 1.090 530 F CA 0.585 58.606 58.000 0.034 0.000 1.293 530 F CB -0.134 38.907 39.000 0.069 0.000 1.013 530 F HN 0.120 nan 8.300 nan 0.000 0.486 531 I N -0.326 120.320 120.570 0.126 0.000 2.226 531 I HA -0.252 3.906 4.170 -0.019 0.000 0.245 531 I C 2.423 178.523 176.117 -0.027 0.000 1.100 531 I CA 1.218 62.523 61.300 0.008 0.000 1.374 531 I CB -1.383 36.645 38.000 0.047 0.000 1.057 531 I HN 0.057 nan 8.210 nan 0.000 0.413 532 R N 0.933 121.439 120.500 0.010 0.000 2.081 532 R HA -0.144 4.184 4.340 -0.019 0.000 0.235 532 R C 1.938 178.218 176.300 -0.033 0.000 1.131 532 R CA 1.325 57.422 56.100 -0.005 0.000 0.960 532 R CB -0.252 30.058 30.300 0.016 0.000 0.856 532 R HN 0.337 nan 8.270 nan 0.000 0.436 533 D N -0.580 119.797 120.400 -0.038 0.000 2.084 533 D HA -0.117 4.512 4.640 -0.019 0.000 0.196 533 D C 1.893 178.088 176.300 -0.174 0.000 0.985 533 D CA 1.177 55.133 54.000 -0.073 0.000 0.826 533 D CB -0.345 40.450 40.800 -0.008 0.000 0.978 533 D HN -0.021 nan 8.370 nan 0.000 0.456 534 V N 1.402 121.111 119.914 -0.341 0.000 2.287 534 V HA -0.243 3.865 4.120 -0.019 0.000 0.248 534 V C 2.419 178.424 176.094 -0.148 0.000 1.053 534 V CA 1.964 64.068 62.300 -0.327 0.000 1.027 534 V CB -0.799 30.752 31.823 -0.453 0.000 0.646 534 V HN 0.211 nan 8.190 nan 0.000 0.447 535 A N -1.083 121.679 122.820 -0.097 0.000 2.119 535 A HA -0.113 4.196 4.320 -0.019 0.000 0.217 535 A C 2.147 179.705 177.584 -0.043 0.000 1.153 535 A CA 1.362 53.373 52.037 -0.044 0.000 0.692 535 A CB -0.308 18.674 19.000 -0.031 0.000 0.799 535 A HN 0.416 nan 8.150 nan 0.000 0.458 536 K N -0.487 119.883 120.400 -0.049 0.000 2.076 536 K HA 0.072 4.381 4.320 -0.019 0.000 0.204 536 K C 1.801 178.383 176.600 -0.031 0.000 1.051 536 K CA 1.094 57.360 56.287 -0.035 0.000 0.949 536 K CB -0.596 31.887 32.500 -0.027 0.000 0.726 536 K HN 0.216 nan 8.250 nan 0.000 0.443 537 V N 1.298 121.188 119.914 -0.039 0.000 2.287 537 V HA -0.267 3.841 4.120 -0.019 0.000 0.248 537 V C 2.217 178.298 176.094 -0.021 0.000 1.053 537 V CA 1.868 64.152 62.300 -0.027 0.000 1.027 537 V CB -0.466 31.336 31.823 -0.034 0.000 0.646 537 V HN 0.251 nan 8.190 nan 0.000 0.447 538 K N 0.419 120.803 120.400 -0.026 0.000 2.103 538 K HA -0.238 4.070 4.320 -0.019 0.000 0.207 538 K C 2.215 178.792 176.600 -0.039 0.000 1.048 538 K CA 1.811 58.089 56.287 -0.016 0.000 0.930 538 K CB -0.456 32.050 32.500 0.010 0.000 0.716 538 K HN 0.562 nan 8.250 nan 0.000 0.444 539 Q N -0.098 119.677 119.800 -0.042 0.000 2.123 539 Q HA -0.124 4.205 4.340 -0.019 0.000 0.199 539 Q C 1.673 177.652 176.000 -0.034 0.000 0.966 539 Q CA 1.431 57.200 55.803 -0.056 0.000 0.845 539 Q CB 0.066 28.777 28.738 -0.045 0.000 0.907 539 Q HN 0.462 nan 8.270 nan 0.000 0.439 540 E N 0.200 120.392 120.200 -0.013 0.000 2.028 540 E HA -0.162 4.177 4.350 -0.019 0.000 0.191 540 E C 1.825 178.441 176.600 0.027 0.000 0.988 540 E CA 1.073 57.478 56.400 0.008 0.000 0.799 540 E CB -0.009 29.697 29.700 0.010 0.000 0.755 540 E HN 0.359 nan 8.360 nan 0.000 0.447 541 N N 1.095 119.809 118.700 0.023 0.000 2.192 541 N HA -0.171 4.557 4.740 -0.019 0.000 0.188 541 N C 1.444 177.007 175.510 0.089 0.000 1.013 541 N CA 1.112 54.193 53.050 0.052 0.000 0.863 541 N CB -0.103 38.403 38.487 0.031 0.000 0.990 541 N HN 0.159 nan 8.380 nan 0.000 0.430 542 K N 0.268 120.673 120.400 0.007 0.000 2.103 542 K HA 0.052 4.361 4.320 -0.019 0.000 0.204 542 K C 2.065 178.729 176.600 0.107 0.000 1.052 542 K CA 0.478 56.745 56.287 -0.032 0.000 0.945 542 K CB -0.157 32.080 32.500 -0.440 0.000 0.722 542 K HN 0.144 nan 8.250 nan 0.000 0.443 543 L N 1.291 122.550 121.223 0.061 0.000 2.046 543 L HA -0.154 4.175 4.340 -0.019 0.000 0.208 543 L C 2.547 179.498 176.870 0.136 0.000 1.077 543 L CA 1.126 56.022 54.840 0.094 0.000 0.747 543 L CB -0.249 41.841 42.059 0.052 0.000 0.896 543 L HN 0.040 nan 8.230 nan 0.000 0.432 544 K N -0.498 119.986 120.400 0.140 0.000 2.211 544 K HA -0.165 4.143 4.320 -0.019 0.000 0.203 544 K C 1.999 178.740 176.600 0.234 0.000 1.050 544 K CA 1.366 57.746 56.287 0.154 0.000 0.945 544 K CB -0.130 32.445 32.500 0.124 0.000 0.732 544 K HN 0.177 nan 8.250 nan 0.000 0.451 545 F N 0.681 120.732 119.950 0.168 0.000 2.473 545 F HA 0.109 4.624 4.527 -0.019 0.000 0.294 545 F C 1.903 177.866 175.800 0.271 0.000 1.103 545 F CA 0.521 58.654 58.000 0.222 0.000 1.442 545 F CB -0.109 39.034 39.000 0.238 0.000 1.097 545 F HN -0.033 nan 8.300 nan 0.000 0.547 546 A N 0.436 123.399 122.820 0.237 0.000 1.877 546 A HA -0.058 4.250 4.320 -0.019 0.000 0.216 546 A C 2.383 179.983 177.584 0.027 0.000 1.186 546 A CA 1.749 53.868 52.037 0.138 0.000 0.620 546 A CB -1.471 17.655 19.000 0.209 0.000 0.822 546 A HN 0.367 nan 8.150 nan 0.000 0.443 547 A N -1.916 120.944 122.820 0.067 0.000 2.067 547 A HA -0.007 4.302 4.320 -0.019 0.000 0.219 547 A C 2.022 179.619 177.584 0.021 0.000 1.158 547 A CA 1.463 53.529 52.037 0.048 0.000 0.661 547 A CB -0.687 18.354 19.000 0.069 0.000 0.801 547 A HN 0.761 nan 8.150 nan 0.000 0.452 548 Y N 0.466 120.691 120.300 -0.125 0.000 2.200 548 Y HA -0.149 4.390 4.550 -0.019 0.000 0.290 548 Y C 1.758 177.555 175.900 -0.172 0.000 1.137 548 Y CA 1.536 59.542 58.100 -0.156 0.000 1.163 548 Y CB -0.104 38.228 38.460 -0.212 0.000 0.988 548 Y HN 0.184 nan 8.280 nan 0.000 0.518 549 L N 0.466 121.543 121.223 -0.243 0.000 2.109 549 L HA -0.096 4.233 4.340 -0.019 0.000 0.207 549 L C 2.394 179.188 176.870 -0.127 0.000 1.086 549 L CA 1.854 56.571 54.840 -0.205 0.000 0.760 549 L CB -1.744 40.221 42.059 -0.156 0.000 0.910 549 L HN 0.291 nan 8.230 nan 0.000 0.437 550 E N 0.784 120.937 120.200 -0.078 0.000 2.051 550 E HA -0.229 4.110 4.350 -0.019 0.000 0.192 550 E C 2.269 178.827 176.600 -0.072 0.000 0.991 550 E CA 1.501 57.883 56.400 -0.030 0.000 0.799 550 E CB 0.079 29.792 29.700 0.022 0.000 0.748 550 E HN 0.523 nan 8.360 nan 0.000 0.449 551 R N 0.295 120.729 120.500 -0.111 0.000 2.089 551 R HA -0.007 4.322 4.340 -0.019 0.000 0.222 551 R C 2.320 178.467 176.300 -0.255 0.000 1.151 551 R CA 1.593 57.611 56.100 -0.136 0.000 0.908 551 R CB -0.877 29.360 30.300 -0.104 0.000 0.813 551 R HN 0.074 nan 8.270 nan 0.000 0.440 552 E N -0.908 119.003 120.200 -0.482 0.000 2.409 552 E HA -0.127 4.212 4.350 -0.019 0.000 0.198 552 E C -0.042 176.080 176.600 -0.798 0.000 1.024 552 E CA 0.780 56.748 56.400 -0.721 0.000 0.861 552 E CB 0.270 29.278 29.700 -1.152 0.000 0.788 552 E HN 0.524 nan 8.360 nan 0.000 0.521 553 Y N -0.720 119.423 120.300 -0.262 0.000 2.809 553 Y HA 0.206 4.744 4.550 -0.019 0.000 0.251 553 Y C -0.534 175.309 175.900 -0.096 0.000 1.136 553 Y CA -0.871 57.138 58.100 -0.151 0.000 1.185 553 Y CB 0.600 38.973 38.460 -0.146 0.000 1.260 553 Y HN -0.295 nan 8.280 nan 0.000 0.576 554 K N 1.258 121.669 120.400 0.019 0.000 5.510 554 K HA -0.155 4.153 4.320 -0.019 0.000 0.595 554 K C -0.200 176.428 176.600 0.046 0.000 1.631 554 K CA 0.618 56.921 56.287 0.027 0.000 1.368 554 K CB -0.671 31.847 32.500 0.030 0.000 1.839 554 K HN 0.375 nan 8.250 nan 0.000 0.296 555 V N 3.264 123.206 119.914 0.046 0.000 3.177 555 V HA 0.016 4.125 4.120 -0.019 0.000 0.220 555 V C 0.639 176.786 176.094 0.087 0.000 1.395 555 V CA 0.856 63.184 62.300 0.047 0.000 1.317 555 V CB -0.238 31.586 31.823 0.002 0.000 1.148 555 V HN 0.984 nan 8.190 nan 0.000 0.499 556 H N 2.661 121.735 119.070 0.007 0.000 2.252 556 H HA -0.181 4.364 4.556 -0.019 0.000 0.314 556 H C 0.004 175.341 175.328 0.015 0.000 0.918 556 H CA 0.780 56.838 56.048 0.017 0.000 1.042 556 H CB -0.689 29.087 29.762 0.023 0.000 1.604 556 H HN 0.588 nan 8.280 nan 0.000 0.331 557 I N -0.065 120.348 120.570 -0.262 0.000 2.834 557 I HA 0.264 4.423 4.170 -0.019 0.000 0.305 557 I C 0.600 176.512 176.117 -0.342 0.000 1.008 557 I CA -0.815 60.340 61.300 -0.241 0.000 1.273 557 I CB 1.209 39.117 38.000 -0.153 0.000 1.432 557 I HN 0.279 nan 8.210 nan 0.000 0.557 558 N N 3.847 122.448 118.700 -0.165 0.000 2.425 558 N HA 0.407 5.136 4.740 -0.019 0.000 0.268 558 N C -2.212 173.393 175.510 0.158 0.000 0.991 558 N CA -2.495 50.515 53.050 -0.066 0.000 0.931 558 N CB 1.542 40.012 38.487 -0.028 0.000 1.130 558 N HN 0.330 nan 8.380 nan 0.000 0.493 559 P HA 0.105 nan 4.420 nan 0.000 0.236 559 P C 0.163 177.457 177.300 -0.010 0.000 1.177 559 P CA 0.760 63.923 63.100 0.106 0.000 0.773 559 P CB 0.277 32.014 31.700 0.062 0.000 0.878 560 N N -0.958 117.770 118.700 0.046 0.000 2.398 560 N HA -0.001 4.728 4.740 -0.019 0.000 0.188 560 N C 0.100 175.669 175.510 0.098 0.000 1.122 560 N CA -0.063 53.011 53.050 0.041 0.000 0.866 560 N CB 0.022 38.535 38.487 0.044 0.000 0.970 560 N HN 0.122 nan 8.380 nan 0.000 0.462 561 S N -0.193 115.577 115.700 0.117 0.000 2.652 561 S HA 0.241 4.700 4.470 -0.019 0.000 0.270 561 S C -0.072 174.531 174.600 0.005 0.000 1.243 561 S CA -0.977 57.283 58.200 0.100 0.000 0.999 561 S CB 1.178 64.442 63.200 0.106 0.000 0.973 561 S HN 0.113 nan 8.310 nan 0.000 0.544 562 L N 1.966 122.991 121.223 -0.330 0.000 2.477 562 L HA 0.379 4.708 4.340 -0.019 0.000 0.272 562 L C -1.144 175.659 176.870 -0.112 0.000 1.157 562 L CA -0.121 54.282 54.840 -0.729 0.000 0.889 562 L CB -1.048 40.344 42.059 -1.113 0.000 1.158 562 L HN 0.588 nan 8.230 nan 0.000 0.473 563 F N 4.112 123.901 119.950 -0.268 0.000 2.375 563 F HA 0.254 4.770 4.527 -0.018 0.000 0.362 563 F C 0.374 176.095 175.800 -0.132 0.000 1.129 563 F CA -0.941 56.983 58.000 -0.127 0.000 1.154 563 F CB 0.304 39.284 39.000 -0.035 0.000 1.205 563 F HN 0.511 nan 8.300 nan 0.000 0.513 564 D N 3.844 124.234 120.400 -0.018 0.000 2.412 564 D HA 0.346 4.974 4.640 -0.019 0.000 0.224 564 D C -1.128 175.116 176.300 -0.094 0.000 1.093 564 D CA -0.121 53.830 54.000 -0.082 0.000 0.850 564 D CB 1.209 41.940 40.800 -0.115 0.000 1.046 564 D HN 0.293 nan 8.370 nan 0.000 0.507 565 V N 2.763 122.616 119.914 -0.101 0.000 2.531 565 V HA 0.538 4.647 4.120 -0.019 0.000 0.301 565 V C -1.330 174.658 176.094 -0.176 0.000 1.034 565 V CA -0.721 61.515 62.300 -0.107 0.000 0.865 565 V CB 1.739 33.562 31.823 -0.000 0.000 0.995 565 V HN 0.535 nan 8.190 nan 0.000 0.424 566 Q N 4.701 124.393 119.800 -0.180 0.000 2.381 566 Q HA 0.682 5.011 4.340 -0.019 0.000 0.263 566 Q C -1.282 174.569 176.000 -0.249 0.000 1.030 566 Q CA -0.676 55.006 55.803 -0.201 0.000 0.772 566 Q CB 1.832 30.464 28.738 -0.177 0.000 1.232 566 Q HN 1.146 nan 8.270 nan 0.000 0.476 567 V N 1.949 121.703 119.914 -0.267 0.000 2.443 567 V HA 0.820 4.929 4.120 -0.019 0.000 0.293 567 V C -0.934 174.845 176.094 -0.524 0.000 1.021 567 V CA -0.605 61.316 62.300 -0.632 0.000 0.848 567 V CB 0.974 32.191 31.823 -1.011 0.000 0.998 567 V HN 0.842 nan 8.190 nan 0.000 0.424 568 K N 2.107 122.288 120.400 -0.364 0.000 2.772 568 K HA 0.557 4.866 4.320 -0.019 0.000 0.292 568 K C -1.053 175.577 176.600 0.049 0.000 1.049 568 K CA -1.233 55.037 56.287 -0.028 0.000 0.846 568 K CB 1.267 33.734 32.500 -0.053 0.000 1.514 568 K HN 0.473 nan 8.250 nan 0.000 0.373 569 R N 1.110 121.697 120.500 0.146 0.000 2.640 569 R HA 0.141 4.470 4.340 -0.019 0.000 0.270 569 R C 0.012 176.385 176.300 0.121 0.000 1.024 569 R CA -0.152 56.051 56.100 0.172 0.000 1.085 569 R CB 0.135 30.585 30.300 0.250 0.000 0.963 569 R HN 0.534 nan 8.270 nan 0.000 0.426 570 I N 5.645 126.260 120.570 0.075 0.000 2.505 570 I HA 0.094 4.252 4.170 -0.019 0.000 0.287 570 I C 0.375 176.456 176.117 -0.061 0.000 1.104 570 I CA 0.664 61.960 61.300 -0.007 0.000 1.387 570 I CB -0.207 37.779 38.000 -0.023 0.000 1.404 570 I HN 0.529 nan 8.210 nan 0.000 0.528 571 H N 4.325 123.362 119.070 -0.054 0.000 3.016 571 H HA 0.233 4.777 4.556 -0.019 0.000 0.362 571 H C 0.302 175.590 175.328 -0.067 0.000 1.233 571 H CA -0.470 55.611 56.048 0.055 0.000 1.124 571 H CB 2.079 31.889 29.762 0.079 0.000 1.850 571 H HN 0.483 nan 8.280 nan 0.000 0.549 572 E N 0.894 121.215 120.200 0.202 0.000 2.152 572 E HA -0.161 4.178 4.350 -0.019 0.000 0.192 572 E C 1.370 177.781 176.600 -0.315 0.000 0.983 572 E CA 1.046 57.460 56.400 0.024 0.000 0.818 572 E CB 0.058 29.908 29.700 0.249 0.000 0.758 572 E HN 0.521 nan 8.360 nan 0.000 0.467 573 Y N 0.612 120.414 120.300 -0.830 0.000 2.439 573 Y HA 0.079 4.618 4.550 -0.019 0.000 0.292 573 Y C 1.507 177.174 175.900 -0.388 0.000 1.130 573 Y CA 0.601 58.079 58.100 -1.037 0.000 1.254 573 Y CB -0.058 37.768 38.460 -1.056 0.000 1.000 573 Y HN -0.215 nan 8.280 nan 0.000 0.554 574 K N 0.697 120.663 120.400 -0.723 0.000 2.296 574 K HA 0.033 4.341 4.320 -0.019 0.000 0.200 574 K C 0.190 176.616 176.600 -0.290 0.000 1.048 574 K CA 0.585 56.524 56.287 -0.581 0.000 0.966 574 K CB -0.049 32.132 32.500 -0.532 0.000 0.754 574 K HN 0.212 nan 8.250 nan 0.000 0.466 575 R N 0.758 121.126 120.500 -0.220 0.000 3.205 575 R HA -0.220 4.109 4.340 -0.019 0.000 0.249 575 R C 0.398 176.615 176.300 -0.138 0.000 0.937 575 R CA 0.004 56.019 56.100 -0.140 0.000 0.641 575 R CB -1.485 28.747 30.300 -0.114 0.000 1.114 575 R HN 0.240 nan 8.270 nan 0.000 0.451 576 Q N 0.284 120.006 119.800 -0.130 0.000 2.135 576 Q HA -0.098 4.230 4.340 -0.019 0.000 0.204 576 Q C 1.852 177.794 176.000 -0.096 0.000 0.981 576 Q CA 1.696 57.433 55.803 -0.110 0.000 0.856 576 Q CB 0.010 28.692 28.738 -0.095 0.000 0.902 576 Q HN 0.627 nan 8.270 nan 0.000 0.425 577 L N -0.572 120.598 121.223 -0.089 0.000 2.131 577 L HA -0.187 4.141 4.340 -0.019 0.000 0.210 577 L C 1.980 178.827 176.870 -0.038 0.000 1.092 577 L CA 0.439 55.236 54.840 -0.072 0.000 0.759 577 L CB -0.334 41.693 42.059 -0.054 0.000 0.903 577 L HN 0.300 nan 8.230 nan 0.000 0.435 578 L N 0.095 121.283 121.223 -0.058 0.000 2.017 578 L HA -0.255 4.074 4.340 -0.019 0.000 0.208 578 L C 2.082 178.938 176.870 -0.024 0.000 1.073 578 L CA 1.949 56.746 54.840 -0.071 0.000 0.745 578 L CB -0.962 40.934 42.059 -0.272 0.000 0.894 578 L HN 0.309 nan 8.230 nan 0.000 0.432 579 N N -1.624 117.039 118.700 -0.062 0.000 2.104 579 N HA -0.247 4.482 4.740 -0.019 0.000 0.190 579 N C 1.961 177.533 175.510 0.103 0.000 1.024 579 N CA 1.585 54.698 53.050 0.105 0.000 0.853 579 N CB -0.110 38.389 38.487 0.021 0.000 1.008 579 N HN 0.491 nan 8.380 nan 0.000 0.424 580 C N 0.595 119.894 119.300 -0.000 0.000 2.413 580 C HA -0.084 4.364 4.460 -0.019 0.000 0.276 580 C C 2.579 177.555 174.990 -0.024 0.000 1.248 580 C CA 0.406 59.385 59.018 -0.065 0.000 1.742 580 C CB -1.202 26.452 27.740 -0.143 0.000 2.017 580 C HN 0.518 nan 8.230 nan 0.000 0.481 581 L N -0.524 120.739 121.223 0.067 0.000 2.141 581 L HA -0.158 4.170 4.340 -0.019 0.000 0.209 581 L C 2.669 179.689 176.870 0.250 0.000 1.094 581 L CA 1.512 56.436 54.840 0.141 0.000 0.763 581 L CB -1.055 41.132 42.059 0.214 0.000 0.908 581 L HN 0.608 nan 8.230 nan 0.000 0.437 582 H N -0.109 119.090 119.070 0.215 0.000 2.357 582 H HA -0.109 4.436 4.556 -0.019 0.000 0.301 582 H C 2.180 177.532 175.328 0.040 0.000 1.082 582 H CA 1.599 57.729 56.048 0.137 0.000 1.342 582 H CB 0.496 30.328 29.762 0.116 0.000 1.389 582 H HN 0.093 nan 8.280 nan 0.000 0.511 583 V N 2.727 122.583 119.914 -0.097 0.000 2.427 583 V HA -0.239 3.869 4.120 -0.019 0.000 0.248 583 V C 2.736 178.768 176.094 -0.103 0.000 1.051 583 V CA 1.648 63.849 62.300 -0.165 0.000 1.048 583 V CB -0.475 31.292 31.823 -0.094 0.000 0.666 583 V HN 0.540 nan 8.190 nan 0.000 0.456 584 I N -1.950 118.594 120.570 -0.043 0.000 2.928 584 I HA -0.062 4.097 4.170 -0.019 0.000 0.266 584 I C 2.116 178.300 176.117 0.112 0.000 1.234 584 I CA 0.998 62.352 61.300 0.089 0.000 1.483 584 I CB -1.522 36.538 38.000 0.101 0.000 1.097 584 I HN 0.217 nan 8.210 nan 0.000 0.455 585 T N 2.604 117.167 114.554 0.015 0.000 2.614 585 T HA -0.162 4.176 4.350 -0.019 0.000 0.263 585 T C 1.980 176.641 174.700 -0.066 0.000 1.055 585 T CA 1.856 63.956 62.100 0.000 0.000 1.162 585 T CB -0.460 68.417 68.868 0.015 0.000 0.863 585 T HN 0.288 nan 8.240 nan 0.000 0.414 586 L N 0.521 121.634 121.223 -0.184 0.000 2.021 586 L HA -0.154 4.175 4.340 -0.019 0.000 0.215 586 L C 2.189 179.010 176.870 -0.083 0.000 1.074 586 L CA 1.845 56.570 54.840 -0.191 0.000 0.760 586 L CB -1.101 40.737 42.059 -0.367 0.000 0.889 586 L HN 0.356 nan 8.230 nan 0.000 0.433 587 Y N 0.515 120.749 120.300 -0.109 0.000 2.102 587 Y HA -0.333 4.205 4.550 -0.019 0.000 0.280 587 Y C 2.383 178.261 175.900 -0.037 0.000 1.178 587 Y CA 2.410 60.484 58.100 -0.042 0.000 1.146 587 Y CB -0.425 38.054 38.460 0.033 0.000 0.968 587 Y HN 0.392 nan 8.280 nan 0.000 0.504 588 N N -0.132 118.496 118.700 -0.120 0.000 2.300 588 N HA -0.060 4.669 4.740 -0.019 0.000 0.179 588 N C 1.902 177.304 175.510 -0.181 0.000 1.016 588 N CA 0.902 53.834 53.050 -0.196 0.000 0.876 588 N CB -0.302 38.155 38.487 -0.050 0.000 0.979 588 N HN 0.285 nan 8.380 nan 0.000 0.432 589 R N 0.980 121.399 120.500 -0.135 0.000 2.070 589 R HA 0.081 4.409 4.340 -0.019 0.000 0.232 589 R C 2.210 178.424 176.300 -0.143 0.000 1.138 589 R CA 0.936 56.965 56.100 -0.118 0.000 0.936 589 R CB -0.511 29.727 30.300 -0.104 0.000 0.839 589 R HN 0.183 nan 8.270 nan 0.000 0.429 590 I N 0.826 121.294 120.570 -0.172 0.000 2.113 590 I HA -0.373 3.785 4.170 -0.019 0.000 0.242 590 I C 2.027 178.025 176.117 -0.198 0.000 1.064 590 I CA 1.514 62.708 61.300 -0.176 0.000 1.320 590 I CB -0.365 37.521 38.000 -0.189 0.000 1.028 590 I HN 0.157 nan 8.210 nan 0.000 0.406 591 K N 0.311 120.532 120.400 -0.299 0.000 2.362 591 K HA -0.122 4.187 4.320 -0.019 0.000 0.200 591 K C 2.027 178.528 176.600 -0.164 0.000 1.046 591 K CA 0.644 56.775 56.287 -0.260 0.000 0.952 591 K CB -0.022 32.249 32.500 -0.382 0.000 0.753 591 K HN 0.216 nan 8.250 nan 0.000 0.466 592 K N 1.194 121.506 120.400 -0.147 0.000 2.128 592 K HA -0.002 4.306 4.320 -0.019 0.000 0.202 592 K C 0.082 176.636 176.600 -0.077 0.000 1.050 592 K CA 0.889 57.115 56.287 -0.101 0.000 0.966 592 K CB 0.444 32.889 32.500 -0.092 0.000 0.759 592 K HN 0.070 nan 8.250 nan 0.000 0.454 593 E N 0.704 120.858 120.200 -0.077 0.000 2.969 593 E HA 0.150 4.489 4.350 -0.019 0.000 0.213 593 E C -2.187 174.380 176.600 -0.055 0.000 1.107 593 E CA -1.541 54.826 56.400 -0.055 0.000 1.007 593 E CB 1.388 31.060 29.700 -0.046 0.000 1.326 593 E HN 0.028 nan 8.360 nan 0.000 0.432 594 P HA -0.090 nan 4.420 nan 0.000 0.223 594 P C 0.359 177.645 177.300 -0.023 0.000 1.151 594 P CA 0.807 63.877 63.100 -0.050 0.000 0.787 594 P CB 0.338 32.010 31.700 -0.048 0.000 0.788 595 N N -0.391 118.304 118.700 -0.009 0.000 2.320 595 N HA 0.038 4.767 4.740 -0.019 0.000 0.237 595 N C 0.175 175.704 175.510 0.033 0.000 1.129 595 N CA 0.038 53.096 53.050 0.014 0.000 0.854 595 N CB 0.348 38.841 38.487 0.011 0.000 1.083 595 N HN 0.233 nan 8.380 nan 0.000 0.504 596 K N 0.958 121.371 120.400 0.022 0.000 2.201 596 K HA 0.126 4.435 4.320 -0.019 0.000 0.278 596 K C -0.564 176.080 176.600 0.074 0.000 1.027 596 K CA -0.495 55.818 56.287 0.044 0.000 0.909 596 K CB 0.769 33.271 32.500 0.004 0.000 1.062 596 K HN -0.183 nan 8.250 nan 0.000 0.465 597 F N 4.461 124.396 119.950 -0.024 0.000 2.459 597 F HA 0.319 4.835 4.527 -0.019 0.000 0.346 597 F C -0.735 175.049 175.800 -0.026 0.000 1.128 597 F CA 0.141 58.128 58.000 -0.022 0.000 1.268 597 F CB 0.842 39.831 39.000 -0.019 0.000 1.161 597 F HN 0.183 nan 8.300 nan 0.000 0.583 598 V N 5.822 125.091 119.914 -1.076 0.000 2.969 598 V HA 0.267 4.376 4.120 -0.019 0.000 0.304 598 V C -1.118 174.297 176.094 -1.131 0.000 1.192 598 V CA -1.030 60.797 62.300 -0.789 0.000 0.962 598 V CB 2.335 33.927 31.823 -0.385 0.000 1.045 598 V HN 0.595 nan 8.190 nan 0.000 0.428 599 V N 7.036 126.560 119.914 -0.649 0.000 2.529 599 V HA 0.192 4.301 4.120 -0.019 0.000 0.292 599 V C -2.054 173.879 176.094 -0.268 0.000 1.028 599 V CA -0.879 61.200 62.300 -0.370 0.000 1.074 599 V CB 1.083 32.824 31.823 -0.137 0.000 0.958 599 V HN 0.750 nan 8.190 nan 0.000 0.481 600 P HA 0.347 nan 4.420 nan 0.000 0.271 600 P C -0.689 176.548 177.300 -0.106 0.000 1.216 600 P CA -0.214 62.820 63.100 -0.110 0.000 0.776 600 P CB 0.489 32.175 31.700 -0.023 0.000 0.881 601 R N -0.033 120.408 120.500 -0.099 0.000 2.707 601 R HA 0.665 4.993 4.340 -0.019 0.000 0.272 601 R C -1.440 174.813 176.300 -0.079 0.000 1.011 601 R CA -0.730 55.313 56.100 -0.096 0.000 0.893 601 R CB 0.533 30.746 30.300 -0.145 0.000 1.233 601 R HN 0.166 nan 8.270 nan 0.000 0.464 602 T N 1.696 116.205 114.554 -0.075 0.000 2.772 602 T HA 0.340 4.679 4.350 -0.019 0.000 0.288 602 T C -0.353 174.253 174.700 -0.158 0.000 0.994 602 T CA -0.572 61.441 62.100 -0.146 0.000 0.951 602 T CB 1.394 70.094 68.868 -0.281 0.000 0.933 602 T HN 0.337 nan 8.240 nan 0.000 0.447 603 V N 5.358 125.188 119.914 -0.139 0.000 2.350 603 V HA 0.488 4.597 4.120 -0.019 0.000 0.276 603 V C -0.082 175.927 176.094 -0.141 0.000 1.028 603 V CA -0.639 61.588 62.300 -0.122 0.000 0.860 603 V CB 0.949 32.717 31.823 -0.091 0.000 0.990 603 V HN 0.867 nan 8.190 nan 0.000 0.453 604 M N 6.200 125.707 119.600 -0.155 0.000 2.311 604 M HA 0.646 5.115 4.480 -0.019 0.000 0.325 604 M C -1.054 175.128 176.300 -0.195 0.000 1.061 604 M CA -0.172 55.027 55.300 -0.169 0.000 0.957 604 M CB 2.175 34.677 32.600 -0.163 0.000 1.646 604 M HN 0.462 nan 8.290 nan 0.000 0.434 605 I N 1.665 122.086 120.570 -0.248 0.000 2.582 605 I HA 0.856 5.015 4.170 -0.019 0.000 0.292 605 I C -0.051 175.688 176.117 -0.629 0.000 1.066 605 I CA -0.641 60.473 61.300 -0.311 0.000 1.053 605 I CB 2.420 40.317 38.000 -0.173 0.000 1.241 605 I HN 0.803 nan 8.210 nan 0.000 0.421 606 G N 2.817 111.213 108.800 -0.673 0.000 2.704 606 G HA2 0.822 4.771 3.960 -0.019 0.000 0.293 606 G HA3 0.822 4.771 3.960 -0.019 0.000 0.293 606 G C -1.108 173.491 174.900 -0.502 0.000 1.421 606 G CA -0.584 43.957 45.100 -0.931 0.000 0.870 606 G HN 1.007 nan 8.290 nan 0.000 0.492 607 G N -0.518 108.166 108.800 -0.194 0.000 2.352 607 G HA2 0.415 4.363 3.960 -0.019 0.000 0.305 607 G HA3 0.415 4.363 3.960 -0.019 0.000 0.305 607 G C -1.443 173.595 174.900 0.230 0.000 1.537 607 G CA -1.030 44.118 45.100 0.082 0.000 0.959 607 G HN 0.572 nan 8.290 nan 0.000 0.668 608 K N 0.057 120.584 120.400 0.212 0.000 2.172 608 K HA 0.693 5.002 4.320 -0.019 0.000 0.276 608 K C 0.322 177.050 176.600 0.214 0.000 1.013 608 K CA -0.141 56.272 56.287 0.209 0.000 0.913 608 K CB 1.830 34.349 32.500 0.031 0.000 1.055 608 K HN 0.837 nan 8.250 nan 0.000 0.461 609 A N 2.011 124.991 122.820 0.267 0.000 2.301 609 A HA 0.599 4.908 4.320 -0.019 0.000 0.312 609 A C -0.297 177.452 177.584 0.274 0.000 1.182 609 A CA -0.653 51.484 52.037 0.168 0.000 0.826 609 A CB 0.883 19.909 19.000 0.044 0.000 1.134 609 A HN 0.797 nan 8.150 nan 0.000 0.501 610 A N 3.682 126.642 122.820 0.233 0.000 2.511 610 A HA 0.537 4.846 4.320 -0.019 0.000 0.242 610 A C -2.348 175.295 177.584 0.099 0.000 1.069 610 A CA -1.038 51.130 52.037 0.219 0.000 0.763 610 A CB -0.679 18.412 19.000 0.152 0.000 1.001 610 A HN 0.605 nan 8.150 nan 0.000 0.498 611 P HA 0.217 nan 4.420 nan 0.000 0.262 611 P C 1.100 178.390 177.300 -0.016 0.000 1.182 611 P CA 1.761 64.802 63.100 -0.099 0.000 0.761 611 P CB 0.539 32.115 31.700 -0.207 0.000 0.795 612 G N 2.131 110.938 108.800 0.011 0.000 2.234 612 G HA2 -0.307 3.641 3.960 -0.019 0.000 0.260 612 G HA3 -0.307 3.641 3.960 -0.019 0.000 0.260 612 G C -0.015 174.940 174.900 0.092 0.000 0.987 612 G CA -0.263 44.859 45.100 0.036 0.000 0.625 612 G HN 0.562 nan 8.290 nan 0.000 0.532 613 Y N 3.199 123.453 120.300 -0.076 0.000 2.594 613 Y HA 0.352 4.890 4.550 -0.019 0.000 0.344 613 Y C 1.576 177.475 175.900 -0.002 0.000 1.185 613 Y CA -0.552 57.486 58.100 -0.103 0.000 1.565 613 Y CB -0.915 37.446 38.460 -0.164 0.000 1.415 613 Y HN 0.461 nan 8.280 nan 0.000 0.488 614 H N 3.592 122.755 119.070 0.154 0.000 2.352 614 H HA -0.214 4.330 4.556 -0.019 0.000 0.299 614 H C 1.591 176.938 175.328 0.031 0.000 1.097 614 H CA 2.128 58.222 56.048 0.076 0.000 1.311 614 H CB 0.410 30.220 29.762 0.080 0.000 1.377 614 H HN 0.595 nan 8.280 nan 0.000 0.504 615 M N 1.173 120.714 119.600 -0.098 0.000 2.086 615 M HA -0.067 4.401 4.480 -0.019 0.000 0.261 615 M C 2.650 178.703 176.300 -0.410 0.000 1.067 615 M CA 1.891 57.050 55.300 -0.234 0.000 1.116 615 M CB -0.959 31.642 32.600 0.002 0.000 1.348 615 M HN 0.350 nan 8.290 nan 0.000 0.407 616 A N -0.195 122.133 122.820 -0.820 0.000 1.978 616 A HA -0.193 4.116 4.320 -0.019 0.000 0.220 616 A C 2.130 179.514 177.584 -0.334 0.000 1.170 616 A CA 1.735 53.337 52.037 -0.725 0.000 0.636 616 A CB -0.685 17.691 19.000 -1.041 0.000 0.810 616 A HN 0.529 nan 8.150 nan 0.000 0.448 617 K N -1.170 119.092 120.400 -0.230 0.000 2.217 617 K HA 0.005 4.313 4.320 -0.019 0.000 0.202 617 K C 1.770 178.360 176.600 -0.018 0.000 1.051 617 K CA 0.871 57.122 56.287 -0.059 0.000 0.952 617 K CB -0.261 32.261 32.500 0.037 0.000 0.736 617 K HN 0.395 nan 8.250 nan 0.000 0.453 618 M N 0.546 120.084 119.600 -0.103 0.000 2.200 618 M HA -0.008 4.461 4.480 -0.019 0.000 0.265 618 M C 2.213 178.444 176.300 -0.115 0.000 1.066 618 M CA 1.151 56.425 55.300 -0.043 0.000 1.127 618 M CB -0.690 31.847 32.600 -0.105 0.000 1.379 618 M HN 0.041 nan 8.290 nan 0.000 0.420 619 I N -0.135 120.327 120.570 -0.179 0.000 2.252 619 I HA -0.290 3.869 4.170 -0.019 0.000 0.245 619 I C 2.265 178.252 176.117 -0.217 0.000 1.102 619 I CA 0.994 62.175 61.300 -0.199 0.000 1.385 619 I CB -0.289 37.602 38.000 -0.180 0.000 1.064 619 I HN 0.152 nan 8.210 nan 0.000 0.414 620 I N 0.744 121.176 120.570 -0.229 0.000 2.151 620 I HA -0.348 3.810 4.170 -0.019 0.000 0.243 620 I C 2.592 178.431 176.117 -0.463 0.000 1.080 620 I CA 1.399 62.465 61.300 -0.391 0.000 1.339 620 I CB -0.342 37.391 38.000 -0.446 0.000 1.039 620 I HN 0.158 nan 8.210 nan 0.000 0.409 621 K N 1.338 121.477 120.400 -0.434 0.000 2.097 621 K HA -0.143 4.166 4.320 -0.019 0.000 0.206 621 K C 1.995 178.414 176.600 -0.302 0.000 1.049 621 K CA 1.472 57.434 56.287 -0.543 0.000 0.933 621 K CB -0.532 31.434 32.500 -0.889 0.000 0.717 621 K HN 0.258 nan 8.250 nan 0.000 0.442 622 L N 0.190 121.188 121.223 -0.375 0.000 2.017 622 L HA -0.175 4.154 4.340 -0.019 0.000 0.208 622 L C 2.169 178.754 176.870 -0.474 0.000 1.073 622 L CA 1.538 55.948 54.840 -0.716 0.000 0.745 622 L CB -0.249 41.344 42.059 -0.777 0.000 0.894 622 L HN 0.243 nan 8.230 nan 0.000 0.432 623 I N -0.404 119.974 120.570 -0.319 0.000 2.127 623 I HA -0.344 3.815 4.170 -0.019 0.000 0.241 623 I C 2.671 178.690 176.117 -0.164 0.000 1.075 623 I CA 2.010 63.194 61.300 -0.192 0.000 1.334 623 I CB -0.634 37.364 38.000 -0.005 0.000 1.040 623 I HN 0.423 nan 8.210 nan 0.000 0.405 624 T N -0.637 113.802 114.554 -0.191 0.000 2.777 624 T HA -0.107 4.232 4.350 -0.019 0.000 0.266 624 T C 2.006 176.632 174.700 -0.123 0.000 1.040 624 T CA 0.986 62.997 62.100 -0.149 0.000 1.141 624 T CB -0.609 68.118 68.868 -0.234 0.000 0.868 624 T HN 0.334 nan 8.240 nan 0.000 0.444 625 A N 1.144 123.881 122.820 -0.138 0.000 2.024 625 A HA 0.125 4.434 4.320 -0.019 0.000 0.220 625 A C 2.341 179.902 177.584 -0.038 0.000 1.164 625 A CA 1.291 53.307 52.037 -0.034 0.000 0.643 625 A CB -0.839 18.225 19.000 0.107 0.000 0.806 625 A HN 0.648 nan 8.150 nan 0.000 0.451 626 I N -0.821 119.632 120.570 -0.196 0.000 2.406 626 I HA -0.091 4.068 4.170 -0.019 0.000 0.249 626 I C 2.652 178.702 176.117 -0.112 0.000 1.122 626 I CA 0.892 62.058 61.300 -0.224 0.000 1.431 626 I CB -0.467 37.308 38.000 -0.376 0.000 1.087 626 I HN 0.366 nan 8.210 nan 0.000 0.424 627 G N 0.436 109.178 108.800 -0.096 0.000 2.432 627 G HA2 -0.234 3.714 3.960 -0.019 0.000 0.219 627 G HA3 -0.234 3.714 3.960 -0.019 0.000 0.219 627 G C 1.231 176.112 174.900 -0.031 0.000 1.135 627 G CA 0.827 45.886 45.100 -0.069 0.000 0.767 627 G HN 0.262 nan 8.290 nan 0.000 0.550 628 D N 0.011 120.424 120.400 0.021 0.000 2.144 628 D HA -0.062 4.566 4.640 -0.019 0.000 0.199 628 D C 2.711 179.096 176.300 0.142 0.000 0.984 628 D CA 0.583 54.652 54.000 0.116 0.000 0.834 628 D CB -0.167 40.667 40.800 0.057 0.000 0.955 628 D HN 0.234 nan 8.370 nan 0.000 0.465 629 V N 0.203 120.131 119.914 0.024 0.000 2.283 629 V HA -0.142 3.967 4.120 -0.019 0.000 0.239 629 V C 2.624 178.682 176.094 -0.060 0.000 1.035 629 V CA 0.747 63.021 62.300 -0.043 0.000 1.018 629 V CB -0.414 31.327 31.823 -0.137 0.000 0.658 629 V HN 0.008 nan 8.190 nan 0.000 0.459 630 V N 1.186 121.016 119.914 -0.140 0.000 2.282 630 V HA -0.265 3.844 4.120 -0.019 0.000 0.249 630 V C 2.018 178.066 176.094 -0.078 0.000 1.057 630 V CA 2.302 64.550 62.300 -0.087 0.000 1.032 630 V CB -0.889 30.873 31.823 -0.103 0.000 0.645 630 V HN 0.601 nan 8.190 nan 0.000 0.447 631 N N -0.696 117.867 118.700 -0.228 0.000 2.521 631 N HA -0.038 4.691 4.740 -0.019 0.000 0.188 631 N C 0.723 175.767 175.510 -0.778 0.000 1.146 631 N CA 0.593 53.389 53.050 -0.423 0.000 0.893 631 N CB -0.261 37.950 38.487 -0.460 0.000 0.975 631 N HN 0.697 nan 8.380 nan 0.000 0.451 632 H N -1.451 117.642 119.070 0.037 0.000 2.549 632 H HA 0.227 4.772 4.556 -0.019 0.000 0.253 632 H C -0.827 174.534 175.328 0.054 0.000 1.170 632 H CA -0.496 55.574 56.048 0.035 0.000 0.943 632 H CB 0.593 30.363 29.762 0.013 0.000 1.849 632 H HN -0.049 nan 8.280 nan 0.000 0.603 633 D N 1.920 122.377 120.400 0.096 0.000 2.329 633 D HA 0.075 4.704 4.640 -0.019 0.000 0.232 633 D C -1.393 174.959 176.300 0.087 0.000 1.088 633 D CA -2.262 51.815 54.000 0.129 0.000 0.835 633 D CB 2.011 42.946 40.800 0.224 0.000 1.078 633 D HN 0.144 nan 8.370 nan 0.000 0.495 634 P HA -0.128 nan 4.420 nan 0.000 0.219 634 P C 1.433 178.757 177.300 0.040 0.000 1.146 634 P CA 0.419 63.551 63.100 0.054 0.000 0.808 634 P CB 0.689 32.419 31.700 0.049 0.000 0.779 635 V N -0.239 119.696 119.914 0.035 0.000 2.591 635 V HA -0.121 3.988 4.120 -0.019 0.000 0.249 635 V C 2.770 178.865 176.094 0.003 0.000 1.053 635 V CA 1.139 63.445 62.300 0.011 0.000 1.068 635 V CB -0.487 31.335 31.823 -0.003 0.000 0.689 635 V HN -0.056 nan 8.190 nan 0.000 0.462 636 V N -0.268 119.657 119.914 0.020 0.000 2.283 636 V HA 0.185 4.294 4.120 -0.019 0.000 0.243 636 V C 1.683 177.786 176.094 0.016 0.000 1.039 636 V CA 1.501 63.809 62.300 0.014 0.000 1.016 636 V CB -1.182 30.680 31.823 0.065 0.000 0.650 636 V HN 0.705 nan 8.190 nan 0.000 0.449 637 G N 0.260 109.077 108.800 0.027 0.000 2.552 637 G HA2 -0.346 3.603 3.960 -0.019 0.000 0.265 637 G HA3 -0.346 3.603 3.960 -0.019 0.000 0.265 637 G C 0.447 175.363 174.900 0.026 0.000 1.234 637 G CA 0.369 45.488 45.100 0.032 0.000 0.944 637 G HN 0.284 nan 8.290 nan 0.000 0.568 638 D N 0.466 120.888 120.400 0.036 0.000 2.228 638 D HA -0.094 4.535 4.640 -0.019 0.000 0.203 638 D C 2.648 178.949 176.300 0.001 0.000 0.988 638 D CA 1.423 55.442 54.000 0.030 0.000 0.864 638 D CB -0.146 40.684 40.800 0.050 0.000 0.928 638 D HN 0.504 nan 8.370 nan 0.000 0.469 639 R N -0.601 119.893 120.500 -0.010 0.000 2.091 639 R HA 0.040 4.369 4.340 -0.019 0.000 0.238 639 R C 0.818 177.085 176.300 -0.055 0.000 1.136 639 R CA 0.682 56.754 56.100 -0.046 0.000 0.959 639 R CB 0.224 30.489 30.300 -0.060 0.000 0.856 639 R HN 0.142 nan 8.270 nan 0.000 0.437 640 L N 0.934 122.137 121.223 -0.033 0.000 2.470 640 L HA 0.438 4.767 4.340 -0.019 0.000 0.268 640 L C -1.347 175.499 176.870 -0.040 0.000 0.964 640 L CA -0.813 54.005 54.840 -0.037 0.000 0.839 640 L CB 1.725 43.779 42.059 -0.007 0.000 1.276 640 L HN 0.133 nan 8.230 nan 0.000 0.403 641 R N 4.137 124.598 120.500 -0.066 0.000 2.538 641 R HA 0.545 4.874 4.340 -0.019 0.000 0.292 641 R C -1.462 174.782 176.300 -0.094 0.000 1.008 641 R CA -0.777 55.273 56.100 -0.083 0.000 0.896 641 R CB 1.997 32.241 30.300 -0.094 0.000 1.187 641 R HN 0.247 nan 8.270 nan 0.000 0.440 642 V N 4.874 124.734 119.914 -0.091 0.000 2.370 642 V HA 0.488 4.597 4.120 -0.019 0.000 0.279 642 V C 0.279 176.328 176.094 -0.076 0.000 1.029 642 V CA -0.543 61.704 62.300 -0.089 0.000 0.870 642 V CB 1.401 33.169 31.823 -0.091 0.000 0.984 642 V HN 0.650 nan 8.190 nan 0.000 0.451 643 I N 4.376 124.900 120.570 -0.077 0.000 2.545 643 I HA 0.437 4.595 4.170 -0.019 0.000 0.292 643 I C -1.079 175.018 176.117 -0.033 0.000 1.040 643 I CA -0.612 60.656 61.300 -0.053 0.000 1.068 643 I CB 2.463 40.410 38.000 -0.088 0.000 1.251 643 I HN 0.528 nan 8.210 nan 0.000 0.424 644 F N 7.236 127.126 119.950 -0.101 0.000 2.404 644 F HA 0.374 4.890 4.527 -0.018 0.000 0.358 644 F C -0.524 175.220 175.800 -0.094 0.000 1.120 644 F CA -0.521 57.421 58.000 -0.097 0.000 1.144 644 F CB 0.777 39.718 39.000 -0.098 0.000 1.133 644 F HN 0.172 nan 8.300 nan 0.000 0.495 645 L N 6.285 127.184 121.223 -0.539 0.000 2.334 645 L HA 0.190 4.519 4.340 -0.019 0.000 0.286 645 L C 0.252 176.959 176.870 -0.271 0.000 1.108 645 L CA -0.015 54.642 54.840 -0.305 0.000 0.875 645 L CB 0.130 42.056 42.059 -0.222 0.000 1.246 645 L HN 0.574 nan 8.230 nan 0.000 0.439 646 E N 3.357 123.523 120.200 -0.057 0.000 2.360 646 E HA -0.034 4.305 4.350 -0.019 0.000 0.269 646 E C 0.263 176.933 176.600 0.117 0.000 1.022 646 E CA -0.221 56.249 56.400 0.116 0.000 0.887 646 E CB 0.314 30.023 29.700 0.014 0.000 0.990 646 E HN 0.537 nan 8.360 nan 0.000 0.426 647 N N 2.969 121.790 118.700 0.200 0.000 2.708 647 N HA -0.274 4.455 4.740 -0.019 0.000 0.255 647 N C -1.656 173.958 175.510 0.173 0.000 1.046 647 N CA 0.513 53.674 53.050 0.185 0.000 0.715 647 N CB -1.534 37.069 38.487 0.195 0.000 0.895 647 N HN 0.484 nan 8.380 nan 0.000 0.545 648 Y N 1.741 122.066 120.300 0.043 0.000 2.526 648 Y HA 0.335 4.873 4.550 -0.019 0.000 0.330 648 Y C 1.100 177.025 175.900 0.041 0.000 1.156 648 Y CA 0.384 58.495 58.100 0.018 0.000 1.419 648 Y CB 0.397 38.836 38.460 -0.035 0.000 1.250 648 Y HN 0.419 nan 8.280 nan 0.000 0.540 649 R N 2.368 122.576 120.500 -0.487 0.000 2.829 649 R HA 0.486 4.814 4.340 -0.019 0.000 0.267 649 R C -0.523 175.480 176.300 -0.495 0.000 1.051 649 R CA -0.681 55.221 56.100 -0.331 0.000 0.927 649 R CB 0.373 30.632 30.300 -0.069 0.000 1.292 649 R HN 0.360 nan 8.270 nan 0.000 0.445 650 V N 0.982 120.657 119.914 -0.398 0.000 2.343 650 V HA -0.247 3.861 4.120 -0.019 0.000 0.247 650 V C 2.367 178.348 176.094 -0.189 0.000 1.051 650 V CA 2.734 64.833 62.300 -0.335 0.000 1.036 650 V CB -0.590 31.012 31.823 -0.368 0.000 0.654 650 V HN 0.917 nan 8.190 nan 0.000 0.451 651 S N -0.555 115.061 115.700 -0.140 0.000 2.522 651 S HA -0.044 4.415 4.470 -0.019 0.000 0.227 651 S C 1.767 176.322 174.600 -0.075 0.000 0.986 651 S CA 0.917 59.053 58.200 -0.106 0.000 0.929 651 S CB -0.158 62.997 63.200 -0.075 0.000 0.769 651 S HN 0.393 nan 8.310 nan 0.000 0.529 652 L N 1.810 122.998 121.223 -0.057 0.000 2.162 652 L HA 0.430 4.758 4.340 -0.019 0.000 0.205 652 L C 2.576 179.452 176.870 0.010 0.000 1.086 652 L CA 1.361 56.209 54.840 0.014 0.000 0.778 652 L CB -1.209 40.926 42.059 0.127 0.000 0.928 652 L HN 0.306 nan 8.230 nan 0.000 0.446 653 A N -0.647 122.157 122.820 -0.028 0.000 1.972 653 A HA -0.219 4.090 4.320 -0.019 0.000 0.219 653 A C 2.103 179.738 177.584 0.086 0.000 1.169 653 A CA 1.791 53.876 52.037 0.080 0.000 0.635 653 A CB -0.574 18.444 19.000 0.030 0.000 0.810 653 A HN 0.604 nan 8.150 nan 0.000 0.446 654 E N -0.485 119.756 120.200 0.068 0.000 2.347 654 E HA -0.111 4.228 4.350 -0.019 0.000 0.196 654 E C 1.797 178.365 176.600 -0.052 0.000 1.008 654 E CA 0.949 57.356 56.400 0.012 0.000 0.852 654 E CB 0.014 29.638 29.700 -0.127 0.000 0.783 654 E HN 0.615 nan 8.360 nan 0.000 0.505 655 K N -0.014 120.335 120.400 -0.086 0.000 2.190 655 K HA 0.056 4.364 4.320 -0.019 0.000 0.202 655 K C 2.052 178.472 176.600 -0.300 0.000 1.045 655 K CA 0.374 56.596 56.287 -0.109 0.000 0.976 655 K CB 0.064 32.504 32.500 -0.099 0.000 0.849 655 K HN -0.054 nan 8.250 nan 0.000 0.468 656 V N 1.747 121.371 119.914 -0.483 0.000 2.951 656 V HA -0.058 4.051 4.120 -0.019 0.000 0.255 656 V C 1.740 177.584 176.094 -0.416 0.000 1.088 656 V CA 0.988 62.815 62.300 -0.788 0.000 1.109 656 V CB -0.164 31.238 31.823 -0.701 0.000 0.724 656 V HN 0.223 nan 8.190 nan 0.000 0.471 657 I N 0.370 120.728 120.570 -0.353 0.000 2.333 657 I HA -0.048 4.110 4.170 -0.019 0.000 0.246 657 I C -0.228 175.759 176.117 -0.217 0.000 1.106 657 I CA 1.019 62.025 61.300 -0.489 0.000 1.411 657 I CB -1.234 36.356 38.000 -0.684 0.000 1.082 657 I HN 0.335 nan 8.210 nan 0.000 0.420 658 P HA -0.207 nan 4.420 nan 0.000 0.216 658 P C 1.153 178.450 177.300 -0.005 0.000 1.150 658 P CA 1.667 64.743 63.100 -0.039 0.000 0.843 658 P CB 0.002 31.687 31.700 -0.024 0.000 0.787 659 A N -1.506 121.303 122.820 -0.018 0.000 2.251 659 A HA 0.408 4.717 4.320 -0.019 0.000 0.209 659 A C 1.168 178.838 177.584 0.144 0.000 1.187 659 A CA 0.274 52.349 52.037 0.064 0.000 0.823 659 A CB -0.858 18.234 19.000 0.153 0.000 0.846 659 A HN 0.220 nan 8.150 nan 0.000 0.486 660 A N -0.356 122.555 122.820 0.151 0.000 2.340 660 A HA 0.481 4.789 4.320 -0.019 0.000 0.268 660 A C 0.422 178.138 177.584 0.220 0.000 1.100 660 A CA -0.156 52.028 52.037 0.244 0.000 0.803 660 A CB 0.394 19.610 19.000 0.361 0.000 1.043 660 A HN 0.269 nan 8.150 nan 0.000 0.488 661 D N 0.172 120.701 120.400 0.214 0.000 2.490 661 D HA 0.134 4.762 4.640 -0.019 0.000 0.244 661 D C 0.008 176.519 176.300 0.352 0.000 0.979 661 D CA 0.671 54.856 54.000 0.309 0.000 0.924 661 D CB 0.251 41.079 40.800 0.048 0.000 1.075 661 D HN 0.352 nan 8.370 nan 0.000 0.488 662 L N 1.324 122.632 121.223 0.141 0.000 2.325 662 L HA 0.292 4.620 4.340 -0.019 0.000 0.281 662 L C -0.529 176.212 176.870 -0.216 0.000 1.004 662 L CA -0.228 54.617 54.840 0.009 0.000 0.823 662 L CB 1.971 44.002 42.059 -0.047 0.000 1.236 662 L HN -0.148 nan 8.230 nan 0.000 0.415 663 S N 3.211 118.665 115.700 -0.410 0.000 2.480 663 S HA 0.279 4.738 4.470 -0.019 0.000 0.286 663 S C -0.440 173.846 174.600 -0.524 0.000 1.180 663 S CA -0.490 57.195 58.200 -0.859 0.000 1.075 663 S CB 1.038 63.660 63.200 -0.964 0.000 0.996 663 S HN 0.614 nan 8.310 nan 0.000 0.487 664 E N 3.282 123.194 120.200 -0.480 0.000 2.102 664 E HA 0.368 4.706 4.350 -0.019 0.000 0.263 664 E C -1.198 175.279 176.600 -0.205 0.000 0.894 664 E CA -0.180 56.074 56.400 -0.244 0.000 0.746 664 E CB 0.948 30.529 29.700 -0.199 0.000 1.129 664 E HN 0.580 nan 8.360 nan 0.000 0.416 665 Q N 4.115 123.842 119.800 -0.121 0.000 3.064 665 Q HA 0.370 4.698 4.340 -0.019 0.000 0.258 665 Q C -0.608 175.381 176.000 -0.018 0.000 0.972 665 Q CA 0.050 55.800 55.803 -0.089 0.000 0.761 665 Q CB 0.725 29.403 28.738 -0.100 0.000 1.281 665 Q HN 0.628 nan 8.270 nan 0.000 0.455 666 I N -0.094 120.461 120.570 -0.026 0.000 3.816 666 I HA 0.140 4.299 4.170 -0.019 0.000 0.334 666 I C 0.201 176.282 176.117 -0.060 0.000 1.551 666 I CA 0.127 61.441 61.300 0.023 0.000 1.153 666 I CB 0.780 38.802 38.000 0.036 0.000 1.197 666 I HN 0.280 nan 8.210 nan 0.000 0.439 667 S N 0.924 116.569 115.700 -0.092 0.000 2.561 667 S HA -0.013 4.445 4.470 -0.019 0.000 0.294 667 S C 0.673 175.258 174.600 -0.026 0.000 1.294 667 S CA 0.305 58.457 58.200 -0.079 0.000 1.055 667 S CB 0.142 63.317 63.200 -0.043 0.000 0.819 667 S HN 0.396 nan 8.310 nan 0.000 0.503 668 T N 4.020 118.599 114.554 0.041 0.000 2.902 668 T HA 0.317 4.656 4.350 -0.019 0.000 0.301 668 T C 0.504 175.228 174.700 0.041 0.000 1.012 668 T CA -0.224 61.910 62.100 0.055 0.000 1.151 668 T CB 0.480 69.451 68.868 0.172 0.000 0.946 668 T HN 0.767 nan 8.240 nan 0.000 0.542 669 A N 2.428 125.239 122.820 -0.016 0.000 2.540 669 A HA 0.482 4.791 4.320 -0.019 0.000 0.239 669 A C 1.631 179.224 177.584 0.014 0.000 1.061 669 A CA 0.214 52.240 52.037 -0.018 0.000 0.758 669 A CB -0.845 18.126 19.000 -0.048 0.000 0.991 669 A HN 1.751 nan 8.150 nan 0.000 0.502 670 G N 1.250 110.062 108.800 0.020 0.000 2.176 670 G HA2 -0.266 3.683 3.960 -0.019 0.000 0.253 670 G HA3 -0.266 3.683 3.960 -0.019 0.000 0.253 670 G C 0.848 175.773 174.900 0.041 0.000 0.979 670 G CA 1.320 46.436 45.100 0.027 0.000 0.641 670 G HN 1.942 nan 8.290 nan 0.000 0.530 671 T N -2.396 112.197 114.554 0.066 0.000 3.045 671 T HA 0.379 4.717 4.350 -0.019 0.000 0.239 671 T C 0.838 175.550 174.700 0.021 0.000 1.008 671 T CA 1.084 63.203 62.100 0.033 0.000 1.143 671 T CB 0.343 69.305 68.868 0.156 0.000 0.894 671 T HN 0.314 nan 8.240 nan 0.000 0.451 672 E N 1.571 121.858 120.200 0.145 0.000 2.180 672 E HA 0.617 4.955 4.350 -0.019 0.000 0.283 672 E C 1.042 177.647 176.600 0.009 0.000 1.061 672 E CA 0.148 56.647 56.400 0.165 0.000 0.861 672 E CB 0.933 30.709 29.700 0.127 0.000 1.056 672 E HN 0.383 nan 8.360 nan 0.000 0.407 673 A N 3.450 126.208 122.820 -0.104 0.000 1.902 673 A HA -0.143 4.166 4.320 -0.019 0.000 0.217 673 A C 1.939 179.416 177.584 -0.179 0.000 1.181 673 A CA 2.004 53.842 52.037 -0.332 0.000 0.623 673 A CB -0.199 18.311 19.000 -0.818 0.000 0.818 673 A HN 0.608 nan 8.150 nan 0.000 0.443 674 S N -3.692 111.958 115.700 -0.084 0.000 4.198 674 S HA 0.468 4.926 4.470 -0.019 0.000 0.202 674 S C 0.635 175.230 174.600 -0.009 0.000 1.124 674 S CA 1.473 59.663 58.200 -0.017 0.000 1.050 674 S CB 0.011 63.220 63.200 0.016 0.000 1.401 674 S HN 2.218 nan 8.310 nan 0.000 0.589 675 G N 0.176 108.975 108.800 -0.002 0.000 2.675 675 G HA2 0.001 3.950 3.960 -0.019 0.000 0.686 675 G HA3 0.001 3.950 3.960 -0.019 0.000 0.686 675 G C 0.158 175.046 174.900 -0.019 0.000 1.215 675 G CA 0.404 45.498 45.100 -0.011 0.000 0.777 675 G HN 1.243 nan 8.290 nan 0.000 0.638 676 T N -1.688 112.843 114.554 -0.040 0.000 2.993 676 T HA 0.402 4.740 4.350 -0.019 0.000 0.260 676 T C 2.279 176.892 174.700 -0.145 0.000 0.939 676 T CA 1.203 63.255 62.100 -0.081 0.000 0.886 676 T CB 0.551 69.372 68.868 -0.077 0.000 1.209 676 T HN 1.795 nan 8.240 nan 0.000 0.518 677 G N 2.088 110.829 108.800 -0.098 0.000 2.421 677 G HA2 -0.223 3.726 3.960 -0.019 0.000 0.216 677 G HA3 -0.223 3.726 3.960 -0.019 0.000 0.216 677 G C 1.242 176.209 174.900 0.111 0.000 1.171 677 G CA 0.993 46.065 45.100 -0.047 0.000 0.775 677 G HN 0.601 nan 8.290 nan 0.000 0.543 678 N N -0.182 118.548 118.700 0.050 0.000 1.409 678 N HA -0.357 4.372 4.740 -0.019 0.000 0.113 678 N C 2.254 177.749 175.510 -0.025 0.000 0.398 678 N CA 2.697 55.735 53.050 -0.021 0.000 0.788 678 N CB -0.334 38.106 38.487 -0.079 0.000 0.637 678 N HN 0.360 nan 8.380 nan 0.000 1.398 679 M N 0.247 119.788 119.600 -0.099 0.000 2.175 679 M HA -0.097 4.372 4.480 -0.019 0.000 0.264 679 M C 1.977 178.244 176.300 -0.056 0.000 1.063 679 M CA 1.351 56.594 55.300 -0.096 0.000 1.119 679 M CB -0.164 32.401 32.600 -0.058 0.000 1.377 679 M HN 0.145 nan 8.290 nan 0.000 0.415 680 K N 0.208 120.511 120.400 -0.162 0.000 2.057 680 K HA -0.093 4.215 4.320 -0.019 0.000 0.207 680 K C 1.695 178.214 176.600 -0.135 0.000 1.049 680 K CA 1.371 57.499 56.287 -0.265 0.000 0.931 680 K CB -0.244 31.878 32.500 -0.629 0.000 0.714 680 K HN 0.164 nan 8.250 nan 0.000 0.440 681 F N 0.947 120.820 119.950 -0.129 0.000 2.163 681 F HA -0.055 4.460 4.527 -0.020 0.000 0.297 681 F C 2.546 178.305 175.800 -0.070 0.000 1.094 681 F CA 1.038 58.983 58.000 -0.093 0.000 1.290 681 F CB -0.293 38.639 39.000 -0.113 0.000 1.017 681 F HN -0.047 nan 8.300 nan 0.000 0.483 682 M N -0.281 119.388 119.600 0.115 0.000 2.202 682 M HA -0.195 4.274 4.480 -0.019 0.000 0.262 682 M C 1.905 178.248 176.300 0.073 0.000 1.063 682 M CA 1.554 56.890 55.300 0.060 0.000 1.097 682 M CB -0.142 32.487 32.600 0.049 0.000 1.382 682 M HN 0.293 nan 8.290 nan 0.000 0.413 683 L N 0.056 121.326 121.223 0.077 0.000 2.509 683 L HA 0.071 4.400 4.340 -0.019 0.000 0.222 683 L C 1.120 178.029 176.870 0.064 0.000 1.123 683 L CA 1.201 56.091 54.840 0.084 0.000 0.856 683 L CB -0.315 41.807 42.059 0.106 0.000 0.985 683 L HN 0.263 nan 8.230 nan 0.000 0.456 684 N N 0.103 118.835 118.700 0.054 0.000 2.203 684 N HA 0.217 4.945 4.740 -0.019 0.000 0.207 684 N C 0.772 176.308 175.510 0.044 0.000 1.130 684 N CA 0.790 53.864 53.050 0.041 0.000 0.861 684 N CB 0.766 39.263 38.487 0.017 0.000 1.005 684 N HN 0.352 nan 8.380 nan 0.000 0.507 685 G N 0.475 109.302 108.800 0.045 0.000 2.164 685 G HA2 -0.138 3.811 3.960 -0.019 0.000 0.212 685 G HA3 -0.138 3.811 3.960 -0.019 0.000 0.212 685 G C -0.045 174.897 174.900 0.070 0.000 1.031 685 G CA 0.137 45.259 45.100 0.036 0.000 0.730 685 G HN 0.530 nan 8.290 nan 0.000 0.501 686 A N -0.862 122.002 122.820 0.075 0.000 2.313 686 A HA 0.949 5.258 4.320 -0.019 0.000 0.323 686 A C -0.493 177.037 177.584 -0.091 0.000 1.133 686 A CA -0.775 51.307 52.037 0.075 0.000 0.847 686 A CB 1.467 20.569 19.000 0.169 0.000 1.308 686 A HN 0.842 nan 8.150 nan 0.000 0.475 687 L N 0.387 121.487 121.223 -0.204 0.000 2.325 687 L HA 0.552 4.880 4.340 -0.019 0.000 0.278 687 L C 0.248 176.940 176.870 -0.296 0.000 1.023 687 L CA 0.236 54.877 54.840 -0.331 0.000 0.811 687 L CB 1.719 43.453 42.059 -0.542 0.000 1.249 687 L HN 0.717 nan 8.230 nan 0.000 0.431 688 T N 4.565 118.826 114.554 -0.489 0.000 2.744 688 T HA 0.483 4.822 4.350 -0.019 0.000 0.291 688 T C -0.000 174.500 174.700 -0.333 0.000 0.957 688 T CA -0.126 61.649 62.100 -0.541 0.000 1.002 688 T CB 0.613 68.926 68.868 -0.925 0.000 0.919 688 T HN 0.436 nan 8.240 nan 0.000 0.468 689 I N 2.883 123.355 120.570 -0.162 0.000 2.385 689 I HA 0.715 4.873 4.170 -0.019 0.000 0.294 689 I C 0.266 176.468 176.117 0.141 0.000 0.988 689 I CA 0.195 61.509 61.300 0.024 0.000 1.265 689 I CB 0.494 38.448 38.000 -0.077 0.000 1.388 689 I HN 0.762 nan 8.210 nan 0.000 0.480 690 G N 3.995 112.996 108.800 0.335 0.000 2.523 690 G HA2 0.416 4.365 3.960 -0.019 0.000 0.291 690 G HA3 0.416 4.365 3.960 -0.019 0.000 0.291 690 G C -0.968 173.952 174.900 0.033 0.000 1.450 690 G CA -0.261 44.984 45.100 0.241 0.000 0.790 690 G HN 0.677 nan 8.290 nan 0.000 0.496 691 T N -1.575 112.853 114.554 -0.210 0.000 2.862 691 T HA 0.551 4.890 4.350 -0.019 0.000 0.276 691 T C 0.688 175.301 174.700 -0.145 0.000 0.974 691 T CA -0.734 61.139 62.100 -0.378 0.000 0.966 691 T CB 1.212 69.841 68.868 -0.397 0.000 1.072 691 T HN 0.255 nan 8.240 nan 0.000 0.538 692 M N 2.603 122.120 119.600 -0.138 0.000 3.596 692 M HA 0.357 4.826 4.480 -0.019 0.000 0.219 692 M C -0.490 175.771 176.300 -0.064 0.000 1.471 692 M CA -0.308 54.942 55.300 -0.084 0.000 1.644 692 M CB -1.807 30.747 32.600 -0.078 0.000 1.083 692 M HN 0.679 nan 8.290 nan 0.000 0.579 693 D N -0.503 119.867 120.400 -0.051 0.000 2.527 693 D HA 0.670 5.298 4.640 -0.019 0.000 0.233 693 D C 0.897 177.189 176.300 -0.015 0.000 1.063 693 D CA 0.666 54.649 54.000 -0.027 0.000 0.880 693 D CB 1.884 42.669 40.800 -0.026 0.000 1.457 693 D HN 0.555 nan 8.370 nan 0.000 0.475 694 G N 1.894 110.695 108.800 0.003 0.000 2.684 694 G HA2 -0.315 3.634 3.960 -0.019 0.000 0.332 694 G HA3 -0.315 3.634 3.960 -0.019 0.000 0.332 694 G C 0.996 175.899 174.900 0.005 0.000 1.306 694 G CA 1.364 46.469 45.100 0.007 0.000 1.002 694 G HN 0.943 nan 8.290 nan 0.000 0.545 695 A N -0.200 122.614 122.820 -0.009 0.000 2.208 695 A HA 0.181 4.490 4.320 -0.019 0.000 0.209 695 A C 2.069 179.596 177.584 -0.096 0.000 1.161 695 A CA 1.584 53.608 52.037 -0.022 0.000 0.782 695 A CB -0.332 18.647 19.000 -0.034 0.000 0.816 695 A HN 0.559 nan 8.150 nan 0.000 0.477 696 N N 0.507 119.167 118.700 -0.067 0.000 2.149 696 N HA -0.141 4.588 4.740 -0.019 0.000 0.188 696 N C 1.633 177.042 175.510 -0.167 0.000 1.019 696 N CA 1.532 54.555 53.050 -0.044 0.000 0.857 696 N CB -0.468 38.047 38.487 0.046 0.000 0.997 696 N HN 0.282 nan 8.380 nan 0.000 0.426 697 V N 1.373 121.220 119.914 -0.112 0.000 2.295 697 V HA -0.208 3.901 4.120 -0.019 0.000 0.246 697 V C 2.092 178.111 176.094 -0.124 0.000 1.049 697 V CA 1.629 63.855 62.300 -0.123 0.000 1.024 697 V CB -0.454 31.332 31.823 -0.061 0.000 0.648 697 V HN 0.320 nan 8.190 nan 0.000 0.447 698 E N -0.609 119.571 120.200 -0.035 0.000 2.106 698 E HA -0.194 4.144 4.350 -0.019 0.000 0.192 698 E C 2.238 178.939 176.600 0.169 0.000 0.984 698 E CA 1.341 57.798 56.400 0.095 0.000 0.806 698 E CB -0.185 29.668 29.700 0.256 0.000 0.750 698 E HN 0.539 nan 8.360 nan 0.000 0.458 699 M N 0.173 119.749 119.600 -0.041 0.000 2.086 699 M HA -0.145 4.324 4.480 -0.019 0.000 0.261 699 M C 2.460 178.558 176.300 -0.336 0.000 1.067 699 M CA 1.508 56.722 55.300 -0.144 0.000 1.116 699 M CB -0.160 32.237 32.600 -0.337 0.000 1.348 699 M HN 0.129 nan 8.290 nan 0.000 0.407 700 A N 0.049 122.370 122.820 -0.832 0.000 1.902 700 A HA -0.171 4.138 4.320 -0.019 0.000 0.217 700 A C 1.986 179.352 177.584 -0.363 0.000 1.181 700 A CA 1.589 53.056 52.037 -0.951 0.000 0.623 700 A CB -0.684 17.760 19.000 -0.928 0.000 0.818 700 A HN 0.497 nan 8.150 nan 0.000 0.443 701 E N -0.396 119.673 120.200 -0.219 0.000 2.085 701 E HA -0.200 4.138 4.350 -0.019 0.000 0.194 701 E C 1.992 178.564 176.600 -0.045 0.000 0.994 701 E CA 1.297 57.638 56.400 -0.099 0.000 0.801 701 E CB -0.130 29.538 29.700 -0.053 0.000 0.743 701 E HN 0.575 nan 8.360 nan 0.000 0.453 702 E N 0.301 120.508 120.200 0.012 0.000 2.028 702 E HA -0.114 4.224 4.350 -0.019 0.000 0.191 702 E C 1.887 178.507 176.600 0.032 0.000 0.988 702 E CA 1.041 57.470 56.400 0.049 0.000 0.799 702 E CB -0.221 29.581 29.700 0.170 0.000 0.755 702 E HN 0.196 nan 8.360 nan 0.000 0.447 703 A N 0.402 123.239 122.820 0.029 0.000 2.169 703 A HA 0.340 4.648 4.320 -0.019 0.000 0.212 703 A C 0.988 178.569 177.584 -0.006 0.000 1.153 703 A CA 1.026 53.084 52.037 0.035 0.000 0.756 703 A CB -0.093 18.966 19.000 0.099 0.000 0.813 703 A HN 0.258 nan 8.150 nan 0.000 0.471 704 G N -0.562 108.209 108.800 -0.049 0.000 3.055 704 G HA2 -0.118 3.830 3.960 -0.019 0.000 0.686 704 G HA3 -0.118 3.830 3.960 -0.019 0.000 0.686 704 G C 0.204 175.056 174.900 -0.079 0.000 1.087 704 G CA 0.118 45.184 45.100 -0.058 0.000 0.779 704 G HN 0.181 nan 8.290 nan 0.000 0.599 705 E N 0.949 121.092 120.200 -0.096 0.000 2.147 705 E HA -0.241 4.098 4.350 -0.019 0.000 0.199 705 E C 2.187 178.756 176.600 -0.052 0.000 1.005 705 E CA 2.264 58.608 56.400 -0.092 0.000 0.810 705 E CB 0.108 29.764 29.700 -0.073 0.000 0.736 705 E HN 0.817 nan 8.360 nan 0.000 0.460 706 E N 0.179 120.341 120.200 -0.064 0.000 2.268 706 E HA -0.069 4.270 4.350 -0.019 0.000 0.195 706 E C 1.172 177.679 176.600 -0.155 0.000 0.995 706 E CA 0.773 57.118 56.400 -0.093 0.000 0.836 706 E CB -0.125 29.535 29.700 -0.067 0.000 0.763 706 E HN 0.146 nan 8.360 nan 0.000 0.491 707 N N -0.334 118.302 118.700 -0.106 0.000 2.295 707 N HA 0.167 4.895 4.740 -0.019 0.000 0.221 707 N C -1.025 174.413 175.510 -0.120 0.000 1.129 707 N CA 0.121 53.089 53.050 -0.137 0.000 0.836 707 N CB 0.285 38.740 38.487 -0.052 0.000 1.040 707 N HN 0.058 nan 8.380 nan 0.000 0.494 708 F N -0.590 119.114 119.950 -0.410 0.000 2.650 708 F HA 0.449 4.964 4.527 -0.020 0.000 0.320 708 F C -1.138 174.357 175.800 -0.509 0.000 1.091 708 F CA -1.108 56.680 58.000 -0.354 0.000 0.962 708 F CB 1.408 40.309 39.000 -0.167 0.000 1.363 708 F HN -0.245 nan 8.300 nan 0.000 0.482 709 F N 3.920 123.891 119.950 0.035 0.000 2.564 709 F HA 0.442 4.958 4.527 -0.019 0.000 0.361 709 F C -0.713 175.206 175.800 0.198 0.000 1.161 709 F CA -0.584 57.459 58.000 0.072 0.000 1.198 709 F CB 0.349 39.331 39.000 -0.031 0.000 1.424 709 F HN -0.021 nan 8.300 nan 0.000 0.517 710 I N 3.556 124.345 120.570 0.365 0.000 2.575 710 I HA 0.302 4.460 4.170 -0.019 0.000 0.285 710 I C 0.035 176.341 176.117 0.315 0.000 1.085 710 I CA -0.141 61.327 61.300 0.280 0.000 1.403 710 I CB 0.106 38.189 38.000 0.139 0.000 1.409 710 I HN 0.378 nan 8.210 nan 0.000 0.557 711 F N 2.499 122.515 119.950 0.110 0.000 2.869 711 F HA 0.953 5.469 4.527 -0.019 0.000 0.325 711 F C 0.251 176.096 175.800 0.075 0.000 1.184 711 F CA -0.793 57.262 58.000 0.091 0.000 0.951 711 F CB 0.569 39.630 39.000 0.103 0.000 1.421 711 F HN 0.870 nan 8.300 nan 0.000 0.501 712 G N 0.547 109.358 108.800 0.019 0.000 2.828 712 G HA2 -0.112 3.836 3.960 -0.019 0.000 0.463 712 G HA3 -0.112 3.836 3.960 -0.019 0.000 0.463 712 G C -0.816 174.034 174.900 -0.083 0.000 1.394 712 G CA -0.531 44.514 45.100 -0.091 0.000 0.862 712 G HN 0.927 nan 8.290 nan 0.000 0.540 713 M N 0.175 119.744 119.600 -0.052 0.000 2.249 713 M HA 0.288 4.756 4.480 -0.019 0.000 0.340 713 M C 1.097 177.358 176.300 -0.065 0.000 1.166 713 M CA 0.296 55.579 55.300 -0.029 0.000 1.115 713 M CB 0.422 33.017 32.600 -0.008 0.000 1.606 713 M HN 0.564 nan 8.290 nan 0.000 0.448 714 R N 0.624 121.101 120.500 -0.038 0.000 2.553 714 R HA 0.238 4.566 4.340 -0.019 0.000 0.263 714 R C 1.226 177.507 176.300 -0.030 0.000 1.066 714 R CA -0.402 55.672 56.100 -0.043 0.000 1.135 714 R CB 0.382 30.665 30.300 -0.029 0.000 1.148 714 R HN 0.631 nan 8.270 nan 0.000 0.558 715 V N -0.516 119.380 119.914 -0.029 0.000 2.317 715 V HA -0.292 3.817 4.120 -0.019 0.000 0.251 715 V C 1.901 177.986 176.094 -0.015 0.000 1.065 715 V CA 2.219 64.507 62.300 -0.021 0.000 1.049 715 V CB -0.713 31.097 31.823 -0.022 0.000 0.651 715 V HN 0.827 nan 8.190 nan 0.000 0.450 716 E N 0.751 120.944 120.200 -0.012 0.000 2.118 716 E HA -0.310 4.029 4.350 -0.019 0.000 0.195 716 E C 1.857 178.460 176.600 0.005 0.000 0.992 716 E CA 1.980 58.377 56.400 -0.005 0.000 0.804 716 E CB -0.193 29.505 29.700 -0.003 0.000 0.741 716 E HN 0.736 nan 8.360 nan 0.000 0.458 717 D N -0.100 120.305 120.400 0.008 0.000 2.183 717 D HA -0.104 4.525 4.640 -0.019 0.000 0.203 717 D C 2.044 178.359 176.300 0.025 0.000 0.969 717 D CA 0.588 54.603 54.000 0.024 0.000 0.842 717 D CB -0.112 40.706 40.800 0.030 0.000 0.957 717 D HN 0.107 nan 8.370 nan 0.000 0.484 718 V N 1.320 121.237 119.914 0.005 0.000 2.307 718 V HA -0.202 3.907 4.120 -0.019 0.000 0.245 718 V C 1.747 177.842 176.094 0.002 0.000 1.045 718 V CA 1.686 63.981 62.300 -0.007 0.000 1.024 718 V CB -0.437 31.371 31.823 -0.026 0.000 0.651 718 V HN 0.017 nan 8.190 nan 0.000 0.449 719 D N -0.180 120.220 120.400 -0.000 0.000 2.149 719 D HA -0.174 4.455 4.640 -0.019 0.000 0.198 719 D C 2.371 178.681 176.300 0.017 0.000 0.990 719 D CA 1.227 55.229 54.000 0.002 0.000 0.839 719 D CB -0.264 40.534 40.800 -0.004 0.000 0.948 719 D HN 0.263 nan 8.370 nan 0.000 0.460 720 R N -0.488 120.028 120.500 0.025 0.000 2.115 720 R HA -0.034 4.295 4.340 -0.019 0.000 0.230 720 R C 1.889 178.222 176.300 0.056 0.000 1.111 720 R CA 0.419 56.541 56.100 0.036 0.000 0.976 720 R CB -0.123 30.200 30.300 0.038 0.000 0.870 720 R HN 0.132 nan 8.270 nan 0.000 0.445 721 L N 0.476 121.741 121.223 0.070 0.000 2.270 721 L HA -0.024 4.305 4.340 -0.019 0.000 0.210 721 L C 1.093 178.028 176.870 0.108 0.000 1.104 721 L CA 1.734 56.642 54.840 0.113 0.000 0.804 721 L CB -0.024 42.123 42.059 0.147 0.000 0.937 721 L HN 0.022 nan 8.230 nan 0.000 0.450 722 D N -1.069 119.370 120.400 0.064 0.000 2.194 722 D HA -0.110 4.519 4.640 -0.019 0.000 0.204 722 D C 1.989 178.318 176.300 0.048 0.000 0.964 722 D CA 0.560 54.591 54.000 0.052 0.000 0.846 722 D CB 0.235 41.043 40.800 0.014 0.000 0.962 722 D HN 0.347 nan 8.370 nan 0.000 0.490 723 Q N 0.689 120.513 119.800 0.040 0.000 2.046 723 Q HA -0.050 4.278 4.340 -0.019 0.000 0.200 723 Q C 2.266 178.292 176.000 0.042 0.000 0.975 723 Q CA 0.897 56.721 55.803 0.034 0.000 0.836 723 Q CB -0.305 28.450 28.738 0.027 0.000 0.896 723 Q HN 0.334 nan 8.270 nan 0.000 0.428 724 R N -0.300 120.233 120.500 0.055 0.000 2.080 724 R HA 0.015 4.344 4.340 -0.019 0.000 0.236 724 R C 0.576 176.914 176.300 0.063 0.000 1.137 724 R CA 1.082 57.216 56.100 0.058 0.000 0.943 724 R CB -0.164 30.179 30.300 0.072 0.000 0.846 724 R HN 0.338 nan 8.270 nan 0.000 0.431 725 G N -0.715 108.138 108.800 0.088 0.000 3.014 725 G HA2 -0.175 3.773 3.960 -0.019 0.000 0.683 725 G HA3 -0.175 3.773 3.960 -0.019 0.000 0.683 725 G C -1.648 173.345 174.900 0.155 0.000 1.271 725 G CA -0.759 44.401 45.100 0.100 0.000 0.843 725 G HN 0.241 nan 8.290 nan 0.000 0.612 726 Y N 3.682 124.014 120.300 0.054 0.000 2.327 726 Y HA 0.680 5.219 4.550 -0.019 0.000 0.336 726 Y C 0.097 176.056 175.900 0.099 0.000 1.035 726 Y CA -1.048 57.104 58.100 0.087 0.000 1.165 726 Y CB 1.250 39.738 38.460 0.048 0.000 1.181 726 Y HN 0.634 nan 8.280 nan 0.000 0.494 727 N N 4.899 123.388 118.700 -0.352 0.000 2.491 727 N HA 0.340 5.069 4.740 -0.019 0.000 0.274 727 N C -0.451 174.826 175.510 -0.388 0.000 1.023 727 N CA 0.172 53.039 53.050 -0.304 0.000 0.902 727 N CB 1.915 40.340 38.487 -0.104 0.000 1.267 727 N HN 0.878 nan 8.380 nan 0.000 0.503 728 A N 3.026 125.573 122.820 -0.455 0.000 2.072 728 A HA -0.090 4.219 4.320 -0.019 0.000 0.216 728 A C 1.842 179.561 177.584 0.226 0.000 1.156 728 A CA 0.778 52.770 52.037 -0.074 0.000 0.701 728 A CB -0.171 18.721 19.000 -0.179 0.000 0.816 728 A HN 0.733 nan 8.150 nan 0.000 0.458 729 Q N 0.695 120.520 119.800 0.042 0.000 2.152 729 Q HA -0.239 4.090 4.340 -0.019 0.000 0.206 729 Q C 1.827 177.892 176.000 0.109 0.000 0.985 729 Q CA 2.267 58.104 55.803 0.057 0.000 0.863 729 Q CB -0.380 28.351 28.738 -0.013 0.000 0.904 729 Q HN 0.789 nan 8.270 nan 0.000 0.422 730 E N -1.456 118.755 120.200 0.019 0.000 2.097 730 E HA -0.258 4.081 4.350 -0.019 0.000 0.196 730 E C 1.451 177.959 176.600 -0.153 0.000 1.000 730 E CA 1.537 57.868 56.400 -0.115 0.000 0.804 730 E CB -0.256 29.279 29.700 -0.276 0.000 0.740 730 E HN 0.579 nan 8.360 nan 0.000 0.454 731 Y N -1.176 119.182 120.300 0.096 0.000 2.220 731 Y HA -0.154 4.384 4.550 -0.019 0.000 0.291 731 Y C 2.172 178.062 175.900 -0.017 0.000 1.129 731 Y CA 1.475 59.622 58.100 0.078 0.000 1.161 731 Y CB -0.641 37.925 38.460 0.175 0.000 0.997 731 Y HN 0.223 nan 8.280 nan 0.000 0.522 732 Y N 1.122 121.439 120.300 0.029 0.000 2.200 732 Y HA -0.236 4.303 4.550 -0.019 0.000 0.290 732 Y C 1.942 177.804 175.900 -0.063 0.000 1.137 732 Y CA 1.768 59.804 58.100 -0.107 0.000 1.163 732 Y CB -0.390 38.056 38.460 -0.023 0.000 0.988 732 Y HN 0.046 nan 8.280 nan 0.000 0.518 733 D N -0.085 120.428 120.400 0.188 0.000 2.117 733 D HA -0.132 4.496 4.640 -0.019 0.000 0.197 733 D C 2.084 178.371 176.300 -0.022 0.000 0.987 733 D CA 1.440 55.488 54.000 0.080 0.000 0.829 733 D CB -0.191 40.657 40.800 0.080 0.000 0.961 733 D HN 0.400 nan 8.370 nan 0.000 0.460 734 R N -0.470 120.014 120.500 -0.027 0.000 2.275 734 R HA 0.216 4.544 4.340 -0.019 0.000 0.199 734 R C 0.257 176.540 176.300 -0.029 0.000 0.989 734 R CA 0.243 56.322 56.100 -0.035 0.000 1.016 734 R CB 0.554 30.825 30.300 -0.048 0.000 0.918 734 R HN 0.150 nan 8.270 nan 0.000 0.473 735 I N 1.654 122.191 120.570 -0.054 0.000 2.411 735 I HA 0.193 4.351 4.170 -0.019 0.000 0.284 735 I C -1.712 174.322 176.117 -0.138 0.000 1.012 735 I CA -2.407 58.868 61.300 -0.042 0.000 1.119 735 I CB 2.273 40.300 38.000 0.044 0.000 1.261 735 I HN -0.213 nan 8.210 nan 0.000 0.448 736 P HA -0.206 nan 4.420 nan 0.000 0.215 736 P C 1.322 178.537 177.300 -0.141 0.000 1.157 736 P CA 1.409 64.425 63.100 -0.140 0.000 0.868 736 P CB 0.438 32.086 31.700 -0.086 0.000 0.788 737 E N -0.587 119.572 120.200 -0.068 0.000 2.147 737 E HA -0.177 4.161 4.350 -0.019 0.000 0.199 737 E C 2.129 178.661 176.600 -0.115 0.000 1.005 737 E CA 0.817 57.200 56.400 -0.030 0.000 0.810 737 E CB -0.568 29.189 29.700 0.094 0.000 0.736 737 E HN 0.142 nan 8.360 nan 0.000 0.460 738 L N -0.111 120.957 121.223 -0.258 0.000 2.068 738 L HA -0.100 4.229 4.340 -0.019 0.000 0.204 738 L C 2.694 179.300 176.870 -0.440 0.000 1.076 738 L CA 1.063 55.586 54.840 -0.528 0.000 0.753 738 L CB -0.218 41.391 42.059 -0.751 0.000 0.910 738 L HN 0.099 nan 8.230 nan 0.000 0.439 739 R N -0.188 120.000 120.500 -0.521 0.000 2.096 739 R HA -0.281 4.047 4.340 -0.019 0.000 0.240 739 R C 2.318 178.433 176.300 -0.307 0.000 1.139 739 R CA 2.167 57.841 56.100 -0.711 0.000 0.952 739 R CB -0.357 29.439 30.300 -0.839 0.000 0.854 739 R HN 0.436 nan 8.270 nan 0.000 0.436 740 Q N 0.502 120.173 119.800 -0.215 0.000 2.077 740 Q HA -0.214 4.115 4.340 -0.019 0.000 0.206 740 Q C 2.110 178.074 176.000 -0.060 0.000 0.989 740 Q CA 2.214 57.947 55.803 -0.118 0.000 0.853 740 Q CB -0.169 28.501 28.738 -0.113 0.000 0.907 740 Q HN 0.532 nan 8.270 nan 0.000 0.418 741 I N 0.686 121.218 120.570 -0.063 0.000 2.208 741 I HA -0.305 3.854 4.170 -0.019 0.000 0.245 741 I C 2.238 178.403 176.117 0.079 0.000 1.097 741 I CA 0.728 62.039 61.300 0.017 0.000 1.363 741 I CB -0.341 37.634 38.000 -0.041 0.000 1.051 741 I HN 0.315 nan 8.210 nan 0.000 0.413 742 I N 0.507 121.115 120.570 0.062 0.000 2.226 742 I HA -0.229 3.929 4.170 -0.019 0.000 0.245 742 I C 2.607 178.835 176.117 0.185 0.000 1.100 742 I CA 1.529 62.936 61.300 0.178 0.000 1.374 742 I CB -1.345 36.861 38.000 0.343 0.000 1.057 742 I HN 0.267 nan 8.210 nan 0.000 0.413 743 E N 0.708 120.990 120.200 0.138 0.000 2.051 743 E HA -0.218 4.121 4.350 -0.019 0.000 0.192 743 E C 2.178 178.852 176.600 0.125 0.000 0.991 743 E CA 1.089 57.561 56.400 0.121 0.000 0.799 743 E CB -0.322 29.415 29.700 0.062 0.000 0.748 743 E HN 0.575 nan 8.360 nan 0.000 0.449 744 Q N 0.289 120.155 119.800 0.109 0.000 2.061 744 Q HA -0.125 4.204 4.340 -0.019 0.000 0.204 744 Q C 2.507 178.711 176.000 0.340 0.000 0.984 744 Q CA 1.140 57.034 55.803 0.151 0.000 0.846 744 Q CB -0.210 28.585 28.738 0.094 0.000 0.902 744 Q HN 0.253 nan 8.270 nan 0.000 0.421 745 L N 0.273 121.725 121.223 0.382 0.000 1.989 745 L HA -0.210 4.119 4.340 -0.019 0.000 0.211 745 L C 2.362 179.426 176.870 0.323 0.000 1.071 745 L CA 1.538 56.621 54.840 0.405 0.000 0.749 745 L CB -0.532 41.684 42.059 0.262 0.000 0.890 745 L HN 0.251 nan 8.230 nan 0.000 0.431 746 S N -1.421 114.419 115.700 0.234 0.000 2.489 746 S HA -0.044 4.414 4.470 -0.019 0.000 0.228 746 S C 1.932 176.626 174.600 0.157 0.000 0.995 746 S CA 0.771 59.083 58.200 0.186 0.000 0.934 746 S CB 0.067 63.359 63.200 0.153 0.000 0.771 746 S HN 0.303 nan 8.310 nan 0.000 0.522 747 S N 0.863 116.658 115.700 0.159 0.000 2.461 747 S HA 0.335 4.794 4.470 -0.019 0.000 0.228 747 S C 1.573 176.245 174.600 0.120 0.000 1.005 747 S CA 0.597 58.872 58.200 0.125 0.000 0.942 747 S CB -0.160 63.110 63.200 0.118 0.000 0.776 747 S HN 0.853 nan 8.310 nan 0.000 0.514 748 G N 0.717 109.612 108.800 0.159 0.000 2.135 748 G HA2 -0.250 3.698 3.960 -0.019 0.000 0.183 748 G HA3 -0.250 3.698 3.960 -0.019 0.000 0.183 748 G C 0.386 175.332 174.900 0.076 0.000 1.004 748 G CA 0.083 45.255 45.100 0.120 0.000 0.677 748 G HN 0.427 nan 8.290 nan 0.000 0.512 749 F N 0.515 120.430 119.950 -0.060 0.000 2.171 749 F HA 0.220 4.736 4.527 -0.019 0.000 0.300 749 F C 1.855 177.398 175.800 -0.428 0.000 1.090 749 F CA 1.749 59.572 58.000 -0.295 0.000 1.293 749 F CB -0.083 38.634 39.000 -0.472 0.000 1.013 749 F HN 0.158 nan 8.300 nan 0.000 0.486 750 F N -0.303 119.656 119.950 0.015 0.000 2.727 750 F HA 0.201 4.717 4.527 -0.019 0.000 0.302 750 F C 0.897 176.732 175.800 0.058 0.000 1.097 750 F CA 0.355 58.343 58.000 -0.020 0.000 1.330 750 F CB -0.300 38.772 39.000 0.121 0.000 1.084 750 F HN 0.011 nan 8.300 nan 0.000 0.578 751 S N -1.718 114.059 115.700 0.128 0.000 2.317 751 S HA 0.356 4.815 4.470 -0.019 0.000 0.144 751 S C -2.440 172.148 174.600 -0.021 0.000 1.660 751 S CA -1.113 57.107 58.200 0.034 0.000 1.273 751 S CB 0.951 64.118 63.200 -0.054 0.000 1.330 751 S HN -0.184 nan 8.310 nan 0.000 0.395 752 P HA -0.188 nan 4.420 nan 0.000 0.215 752 P C 1.583 178.866 177.300 -0.028 0.000 1.157 752 P CA 1.392 64.460 63.100 -0.052 0.000 0.868 752 P CB 0.099 31.752 31.700 -0.077 0.000 0.788 753 K N 0.107 120.491 120.400 -0.027 0.000 2.365 753 K HA -0.059 4.250 4.320 -0.019 0.000 0.197 753 K C 0.618 177.209 176.600 -0.015 0.000 1.042 753 K CA 0.940 57.217 56.287 -0.018 0.000 0.987 753 K CB -0.090 32.402 32.500 -0.014 0.000 0.779 753 K HN 0.318 nan 8.250 nan 0.000 0.484 754 Q N -0.320 119.466 119.800 -0.024 0.000 3.412 754 Q HA 0.306 4.634 4.340 -0.019 0.000 0.219 754 Q C -2.738 173.237 176.000 -0.041 0.000 0.913 754 Q CA -1.730 54.056 55.803 -0.029 0.000 0.722 754 Q CB 1.933 30.652 28.738 -0.030 0.000 1.385 754 Q HN -0.160 nan 8.270 nan 0.000 0.461 755 P HA -0.173 nan 4.420 nan 0.000 0.220 755 P C 0.630 177.945 177.300 0.025 0.000 1.148 755 P CA 1.364 64.473 63.100 0.014 0.000 0.803 755 P CB 0.187 31.904 31.700 0.027 0.000 0.782 756 D N -0.812 119.592 120.400 0.007 0.000 2.358 756 D HA -0.007 4.622 4.640 -0.019 0.000 0.224 756 D C 1.538 177.828 176.300 -0.017 0.000 1.123 756 D CA -0.226 53.788 54.000 0.023 0.000 0.833 756 D CB -0.437 40.381 40.800 0.030 0.000 0.946 756 D HN 0.040 nan 8.370 nan 0.000 0.505 757 L N -0.029 121.120 121.223 -0.122 0.000 2.012 757 L HA -0.057 4.271 4.340 -0.019 0.000 0.210 757 L C 1.135 177.838 176.870 -0.279 0.000 1.073 757 L CA 1.603 56.287 54.840 -0.260 0.000 0.748 757 L CB -0.537 41.219 42.059 -0.504 0.000 0.891 757 L HN -0.104 nan 8.230 nan 0.000 0.431 758 F N -0.213 119.790 119.950 0.088 0.000 2.663 758 F HA 0.195 4.711 4.527 -0.019 0.000 0.299 758 F C 1.729 177.574 175.800 0.075 0.000 1.143 758 F CA -0.144 57.896 58.000 0.066 0.000 1.387 758 F CB -0.760 38.270 39.000 0.049 0.000 1.019 758 F HN 0.011 nan 8.300 nan 0.000 0.523 759 K N -0.207 120.315 120.400 0.202 0.000 2.486 759 K HA -0.080 4.229 4.320 -0.019 0.000 0.194 759 K C 0.912 177.606 176.600 0.156 0.000 1.033 759 K CA 0.718 57.104 56.287 0.164 0.000 1.004 759 K CB -0.003 32.570 32.500 0.121 0.000 0.798 759 K HN 0.283 nan 8.250 nan 0.000 0.495 760 D N 1.021 121.528 120.400 0.177 0.000 2.137 760 D HA 0.015 4.643 4.640 -0.019 0.000 0.202 760 D C 1.743 178.129 176.300 0.144 0.000 0.970 760 D CA 0.648 54.758 54.000 0.183 0.000 0.837 760 D CB 0.199 41.142 40.800 0.238 0.000 0.981 760 D HN 0.032 nan 8.370 nan 0.000 0.475 761 I N -0.131 120.521 120.570 0.137 0.000 2.252 761 I HA -0.202 3.957 4.170 -0.019 0.000 0.245 761 I C 2.145 178.285 176.117 0.037 0.000 1.102 761 I CA 0.484 61.825 61.300 0.069 0.000 1.385 761 I CB -0.084 37.944 38.000 0.045 0.000 1.064 761 I HN -0.042 nan 8.210 nan 0.000 0.414 762 V N 1.145 121.109 119.914 0.084 0.000 2.332 762 V HA -0.311 3.798 4.120 -0.019 0.000 0.248 762 V C 1.933 178.025 176.094 -0.003 0.000 1.055 762 V CA 2.282 64.621 62.300 0.065 0.000 1.038 762 V CB -0.947 30.947 31.823 0.119 0.000 0.651 762 V HN 0.498 nan 8.190 nan 0.000 0.450 763 N N -0.723 118.006 118.700 0.048 0.000 2.331 763 N HA -0.132 4.597 4.740 -0.019 0.000 0.180 763 N C 1.863 177.274 175.510 -0.164 0.000 1.019 763 N CA 0.953 54.065 53.050 0.104 0.000 0.881 763 N CB -0.121 38.482 38.487 0.193 0.000 0.972 763 N HN 0.349 nan 8.380 nan 0.000 0.435 764 M N 1.157 120.606 119.600 -0.251 0.000 2.062 764 M HA -0.095 4.374 4.480 -0.019 0.000 0.259 764 M C 1.745 177.822 176.300 -0.372 0.000 1.076 764 M CA 1.476 56.495 55.300 -0.468 0.000 1.122 764 M CB -0.719 31.831 32.600 -0.083 0.000 1.312 764 M HN 0.047 nan 8.290 nan 0.000 0.412 765 L N 0.997 122.052 121.223 -0.280 0.000 2.021 765 L HA -0.268 4.061 4.340 -0.019 0.000 0.215 765 L C 2.581 179.090 176.870 -0.601 0.000 1.074 765 L CA 1.904 56.471 54.840 -0.454 0.000 0.760 765 L CB -1.299 40.530 42.059 -0.384 0.000 0.889 765 L HN 0.386 nan 8.230 nan 0.000 0.433 766 M N -1.983 117.326 119.600 -0.485 0.000 2.254 766 M HA -0.105 4.364 4.480 -0.019 0.000 0.265 766 M C 1.866 177.722 176.300 -0.739 0.000 1.066 766 M CA 1.458 56.400 55.300 -0.596 0.000 1.123 766 M CB -0.749 31.406 32.600 -0.741 0.000 1.388 766 M HN 0.389 nan 8.290 nan 0.000 0.425 767 H N -2.066 116.889 119.070 -0.192 0.000 3.091 767 H HA 0.172 4.717 4.556 -0.019 0.000 0.249 767 H C 0.063 175.363 175.328 -0.047 0.000 0.985 767 H CA 0.617 56.599 56.048 -0.111 0.000 1.177 767 H CB 0.338 30.071 29.762 -0.048 0.000 1.456 767 H HN 0.550 nan 8.280 nan 0.000 0.467 768 H N -1.175 117.950 119.070 0.091 0.000 2.946 768 H HA 0.309 4.853 4.556 -0.019 0.000 0.217 768 H C -1.426 173.925 175.328 0.038 0.000 1.393 768 H CA -0.774 55.319 56.048 0.074 0.000 1.306 768 H CB -0.213 29.599 29.762 0.084 0.000 2.062 768 H HN -0.104 nan 8.280 nan 0.000 0.520 769 D N 1.165 121.593 120.400 0.046 0.000 2.359 769 D HA 0.195 4.824 4.640 -0.019 0.000 0.230 769 D C 0.825 177.061 176.300 -0.107 0.000 1.118 769 D CA -0.558 53.438 54.000 -0.007 0.000 0.844 769 D CB 0.977 41.734 40.800 -0.071 0.000 1.059 769 D HN 0.482 nan 8.370 nan 0.000 0.493 770 R N 2.717 123.074 120.500 -0.239 0.000 2.193 770 R HA 0.012 4.340 4.340 -0.019 0.000 0.213 770 R C 0.577 176.320 176.300 -0.928 0.000 1.055 770 R CA 0.671 56.401 56.100 -0.617 0.000 0.995 770 R CB 0.175 29.914 30.300 -0.934 0.000 0.893 770 R HN 0.449 nan 8.270 nan 0.000 0.459 771 F N 0.579 120.473 119.950 -0.094 0.000 2.653 771 F HA 0.262 4.778 4.527 -0.019 0.000 0.304 771 F C 0.190 175.857 175.800 -0.221 0.000 1.092 771 F CA -0.438 57.496 58.000 -0.109 0.000 1.279 771 F CB 0.240 39.236 39.000 -0.006 0.000 1.044 771 F HN -0.229 nan 8.300 nan 0.000 0.564 772 K N -0.319 119.860 120.400 -0.368 0.000 3.244 772 K HA -0.165 4.144 4.320 -0.019 0.000 0.270 772 K C 0.924 177.389 176.600 -0.225 0.000 1.016 772 K CA 0.146 56.036 56.287 -0.662 0.000 0.754 772 K CB -1.908 30.153 32.500 -0.733 0.000 1.326 772 K HN 0.190 nan 8.250 nan 0.000 0.465 773 V N 0.209 120.066 119.914 -0.096 0.000 2.220 773 V HA -0.286 3.823 4.120 -0.019 0.000 0.246 773 V C 2.052 178.253 176.094 0.178 0.000 1.049 773 V CA 2.279 64.601 62.300 0.036 0.000 1.003 773 V CB -0.457 31.378 31.823 0.019 0.000 0.634 773 V HN 0.408 nan 8.190 nan 0.000 0.444 774 F N 0.852 120.794 119.950 -0.013 0.000 2.236 774 F HA -0.193 4.323 4.527 -0.019 0.000 0.302 774 F C 2.414 178.015 175.800 -0.330 0.000 1.073 774 F CA 1.022 58.965 58.000 -0.095 0.000 1.336 774 F CB -1.602 37.338 39.000 -0.100 0.000 1.040 774 F HN 0.188 nan 8.300 nan 0.000 0.507 775 A N -0.754 121.921 122.820 -0.243 0.000 2.066 775 A HA -0.119 4.190 4.320 -0.019 0.000 0.218 775 A C 1.592 179.211 177.584 0.058 0.000 1.157 775 A CA 1.574 53.429 52.037 -0.303 0.000 0.670 775 A CB -0.449 18.494 19.000 -0.095 0.000 0.804 775 A HN 0.177 nan 8.150 nan 0.000 0.453 776 D N -2.688 117.786 120.400 0.122 0.000 2.369 776 D HA 0.117 4.746 4.640 -0.019 0.000 0.211 776 D C 1.048 177.530 176.300 0.304 0.000 1.077 776 D CA -0.024 54.119 54.000 0.238 0.000 0.842 776 D CB -0.046 40.899 40.800 0.242 0.000 0.947 776 D HN 0.570 nan 8.370 nan 0.000 0.509 777 Y N 1.654 122.047 120.300 0.154 0.000 2.153 777 Y HA -0.076 4.463 4.550 -0.018 0.000 0.289 777 Y C 2.022 178.018 175.900 0.160 0.000 1.127 777 Y CA 1.641 59.837 58.100 0.161 0.000 1.131 777 Y CB 0.130 38.660 38.460 0.116 0.000 0.995 777 Y HN -0.140 nan 8.280 nan 0.000 0.505 778 E N 0.198 120.435 120.200 0.062 0.000 2.070 778 E HA -0.269 4.070 4.350 -0.019 0.000 0.197 778 E C 2.147 178.710 176.600 -0.062 0.000 1.004 778 E CA 1.727 58.087 56.400 -0.065 0.000 0.805 778 E CB -0.183 29.585 29.700 0.113 0.000 0.744 778 E HN 0.624 nan 8.360 nan 0.000 0.451 779 E N -0.364 119.886 120.200 0.082 0.000 2.153 779 E HA -0.204 4.134 4.350 -0.019 0.000 0.194 779 E C 1.873 178.480 176.600 0.011 0.000 0.988 779 E CA 0.782 57.258 56.400 0.125 0.000 0.811 779 E CB -0.097 29.775 29.700 0.287 0.000 0.746 779 E HN 0.291 nan 8.360 nan 0.000 0.466 780 Y N 0.720 120.846 120.300 -0.290 0.000 2.220 780 Y HA -0.169 4.369 4.550 -0.019 0.000 0.291 780 Y C 2.098 177.640 175.900 -0.597 0.000 1.129 780 Y CA 0.863 58.500 58.100 -0.772 0.000 1.161 780 Y CB -0.264 37.763 38.460 -0.723 0.000 0.997 780 Y HN -0.207 nan 8.280 nan 0.000 0.522 781 V N 0.288 119.887 119.914 -0.527 0.000 2.427 781 V HA -0.257 3.851 4.120 -0.019 0.000 0.248 781 V C 2.267 178.145 176.094 -0.361 0.000 1.051 781 V CA 2.047 64.055 62.300 -0.486 0.000 1.048 781 V CB -0.518 31.034 31.823 -0.452 0.000 0.666 781 V HN 0.189 nan 8.190 nan 0.000 0.456 782 K N -0.351 119.891 120.400 -0.264 0.000 1.985 782 K HA -0.163 4.146 4.320 -0.019 0.000 0.210 782 K C 2.262 178.758 176.600 -0.173 0.000 1.047 782 K CA 1.862 58.052 56.287 -0.162 0.000 0.932 782 K CB -1.405 31.047 32.500 -0.080 0.000 0.716 782 K HN 0.497 nan 8.250 nan 0.000 0.439 783 C N 1.262 120.449 119.300 -0.188 0.000 2.403 783 C HA -0.159 4.289 4.460 -0.019 0.000 0.277 783 C C 2.455 177.235 174.990 -0.349 0.000 1.248 783 C CA 1.022 59.939 59.018 -0.169 0.000 1.762 783 C CB -0.738 26.922 27.740 -0.134 0.000 2.014 783 C HN 0.439 nan 8.230 nan 0.000 0.486 784 Q N 0.112 119.575 119.800 -0.562 0.000 2.167 784 Q HA -0.136 4.192 4.340 -0.019 0.000 0.202 784 Q C 2.033 177.814 176.000 -0.364 0.000 0.970 784 Q CA 1.430 56.858 55.803 -0.624 0.000 0.855 784 Q CB -0.323 27.816 28.738 -0.998 0.000 0.911 784 Q HN 0.766 nan 8.270 nan 0.000 0.438 785 E N 0.468 120.520 120.200 -0.246 0.000 2.077 785 E HA -0.171 4.168 4.350 -0.019 0.000 0.193 785 E C 2.059 178.599 176.600 -0.100 0.000 0.989 785 E CA 0.795 57.112 56.400 -0.138 0.000 0.800 785 E CB -0.081 29.563 29.700 -0.094 0.000 0.746 785 E HN 0.221 nan 8.360 nan 0.000 0.452 786 R N 0.401 120.850 120.500 -0.085 0.000 2.152 786 R HA -0.105 4.224 4.340 -0.019 0.000 0.232 786 R C 2.355 178.634 176.300 -0.035 0.000 1.117 786 R CA 0.810 56.919 56.100 0.016 0.000 0.981 786 R CB -0.186 30.188 30.300 0.123 0.000 0.870 786 R HN 0.054 nan 8.270 nan 0.000 0.451 787 V N 0.160 119.878 119.914 -0.326 0.000 2.295 787 V HA -0.238 3.871 4.120 -0.019 0.000 0.246 787 V C 2.009 178.103 176.094 -0.001 0.000 1.049 787 V CA 2.070 64.134 62.300 -0.392 0.000 1.024 787 V CB -0.309 31.169 31.823 -0.574 0.000 0.648 787 V HN 0.295 nan 8.190 nan 0.000 0.447 788 S N 0.312 115.967 115.700 -0.074 0.000 2.402 788 S HA -0.070 4.389 4.470 -0.019 0.000 0.229 788 S C 2.176 176.805 174.600 0.047 0.000 1.021 788 S CA 1.157 59.336 58.200 -0.035 0.000 0.974 788 S CB -0.388 62.760 63.200 -0.087 0.000 0.800 788 S HN 0.635 nan 8.310 nan 0.000 0.484 789 A N 1.296 124.156 122.820 0.066 0.000 1.930 789 A HA 0.019 4.328 4.320 -0.019 0.000 0.217 789 A C 2.030 179.706 177.584 0.155 0.000 1.175 789 A CA 1.065 53.161 52.037 0.098 0.000 0.627 789 A CB -0.473 18.583 19.000 0.094 0.000 0.815 789 A HN 0.411 nan 8.150 nan 0.000 0.443 790 L N -2.123 119.258 121.223 0.264 0.000 2.209 790 L HA 0.078 4.406 4.340 -0.019 0.000 0.207 790 L C 2.069 179.140 176.870 0.334 0.000 1.094 790 L CA 1.435 56.519 54.840 0.407 0.000 0.790 790 L CB -1.234 41.209 42.059 0.639 0.000 0.932 790 L HN 0.518 nan 8.230 nan 0.000 0.447 791 Y N 0.736 120.946 120.300 -0.151 0.000 2.274 791 Y HA -0.249 4.290 4.550 -0.018 0.000 0.290 791 Y C 2.387 178.118 175.900 -0.283 0.000 1.145 791 Y CA 1.785 59.443 58.100 -0.737 0.000 1.203 791 Y CB -0.077 37.873 38.460 -0.851 0.000 0.984 791 Y HN 0.149 nan 8.280 nan 0.000 0.533 792 K N 0.157 120.515 120.400 -0.070 0.000 2.218 792 K HA -0.152 4.157 4.320 -0.019 0.000 0.205 792 K C 0.096 176.656 176.600 -0.066 0.000 1.046 792 K CA 1.162 57.423 56.287 -0.042 0.000 0.933 792 K CB -0.163 32.373 32.500 0.059 0.000 0.728 792 K HN 0.237 nan 8.250 nan 0.000 0.454 793 N N 0.904 119.590 118.700 -0.023 0.000 3.105 793 N HA 0.101 4.830 4.740 -0.019 0.000 0.256 793 N C -2.360 173.148 175.510 -0.002 0.000 1.174 793 N CA -1.190 51.866 53.050 0.009 0.000 1.030 793 N CB 1.262 39.795 38.487 0.077 0.000 1.305 793 N HN -0.078 nan 8.380 nan 0.000 0.509 794 P HA -0.230 nan 4.420 nan 0.000 0.217 794 P C 1.563 178.876 177.300 0.022 0.000 1.162 794 P CA 1.324 64.361 63.100 -0.106 0.000 0.901 794 P CB 0.414 32.026 31.700 -0.146 0.000 0.793 795 R N -0.460 120.052 120.500 0.020 0.000 2.081 795 R HA -0.163 4.166 4.340 -0.019 0.000 0.235 795 R C 2.060 178.402 176.300 0.070 0.000 1.131 795 R CA 1.410 57.533 56.100 0.038 0.000 0.960 795 R CB -0.335 29.980 30.300 0.025 0.000 0.856 795 R HN 0.148 nan 8.270 nan 0.000 0.436 796 E N -0.847 119.407 120.200 0.091 0.000 2.158 796 E HA -0.174 4.165 4.350 -0.019 0.000 0.191 796 E C 1.552 178.253 176.600 0.168 0.000 0.982 796 E CA 0.612 57.077 56.400 0.107 0.000 0.823 796 E CB -0.296 29.463 29.700 0.099 0.000 0.766 796 E HN 0.381 nan 8.360 nan 0.000 0.468 797 W N 2.029 123.343 121.300 0.023 0.000 2.338 797 W HA -0.171 4.477 4.660 -0.020 0.000 0.304 797 W C 2.301 178.839 176.519 0.031 0.000 1.212 797 W CA 2.260 59.637 57.345 0.054 0.000 1.264 797 W CB -0.437 29.060 29.460 0.060 0.000 1.142 797 W HN 0.005 nan 8.180 nan 0.000 0.512 798 T N -0.249 114.437 114.554 0.221 0.000 2.904 798 T HA -0.132 4.207 4.350 -0.019 0.000 0.267 798 T C 1.730 176.450 174.700 0.034 0.000 1.059 798 T CA 1.299 63.461 62.100 0.103 0.000 1.137 798 T CB -0.168 68.737 68.868 0.063 0.000 0.879 798 T HN 0.148 nan 8.240 nan 0.000 0.467 799 R N 1.148 121.672 120.500 0.040 0.000 2.148 799 R HA 0.091 4.420 4.340 -0.019 0.000 0.223 799 R C 2.538 178.833 176.300 -0.009 0.000 1.088 799 R CA 1.084 57.200 56.100 0.026 0.000 0.985 799 R CB -0.392 29.930 30.300 0.038 0.000 0.880 799 R HN 0.546 nan 8.270 nan 0.000 0.451 800 M N -0.793 118.774 119.600 -0.055 0.000 2.419 800 M HA 0.036 4.505 4.480 -0.019 0.000 0.264 800 M C 1.860 178.084 176.300 -0.126 0.000 1.082 800 M CA 1.141 56.377 55.300 -0.107 0.000 1.119 800 M CB -0.274 32.214 32.600 -0.186 0.000 1.398 800 M HN -0.199 nan 8.290 nan 0.000 0.453 801 V N 2.071 121.902 119.914 -0.139 0.000 2.287 801 V HA -0.264 3.845 4.120 -0.019 0.000 0.248 801 V C 2.525 178.591 176.094 -0.046 0.000 1.053 801 V CA 2.087 64.325 62.300 -0.105 0.000 1.027 801 V CB -0.626 31.162 31.823 -0.058 0.000 0.646 801 V HN 0.536 nan 8.190 nan 0.000 0.447 802 I N -0.845 119.710 120.570 -0.024 0.000 2.361 802 I HA -0.227 3.931 4.170 -0.019 0.000 0.251 802 I C 2.695 178.836 176.117 0.041 0.000 1.133 802 I CA 1.380 62.692 61.300 0.020 0.000 1.413 802 I CB -0.415 37.631 38.000 0.077 0.000 1.073 802 I HN 0.200 nan 8.210 nan 0.000 0.424 803 R N 0.596 121.107 120.500 0.018 0.000 2.148 803 R HA -0.085 4.244 4.340 -0.019 0.000 0.223 803 R C 2.029 178.350 176.300 0.035 0.000 1.088 803 R CA 0.885 57.000 56.100 0.025 0.000 0.985 803 R CB -0.108 30.195 30.300 0.004 0.000 0.880 803 R HN 0.492 nan 8.270 nan 0.000 0.451 804 N N 0.429 119.142 118.700 0.021 0.000 2.109 804 N HA -0.095 4.633 4.740 -0.019 0.000 0.188 804 N C 1.919 177.469 175.510 0.067 0.000 1.034 804 N CA 1.185 54.266 53.050 0.052 0.000 0.846 804 N CB -0.025 38.466 38.487 0.007 0.000 1.010 804 N HN 0.136 nan 8.380 nan 0.000 0.425 805 I N 1.607 122.203 120.570 0.043 0.000 2.208 805 I HA -0.233 3.926 4.170 -0.019 0.000 0.245 805 I C 2.316 178.467 176.117 0.056 0.000 1.097 805 I CA 0.968 62.297 61.300 0.048 0.000 1.363 805 I CB -0.418 37.594 38.000 0.020 0.000 1.051 805 I HN 0.078 nan 8.210 nan 0.000 0.413 806 A N -0.822 122.033 122.820 0.059 0.000 2.216 806 A HA -0.117 4.191 4.320 -0.019 0.000 0.214 806 A C 2.134 179.749 177.584 0.053 0.000 1.160 806 A CA 1.721 53.791 52.037 0.056 0.000 0.725 806 A CB -0.520 18.525 19.000 0.074 0.000 0.784 806 A HN 0.383 nan 8.150 nan 0.000 0.472 807 T N -1.617 112.981 114.554 0.073 0.000 3.084 807 T HA 0.152 4.491 4.350 -0.019 0.000 0.270 807 T C 1.398 176.178 174.700 0.133 0.000 1.008 807 T CA 0.638 62.786 62.100 0.079 0.000 0.900 807 T CB -0.133 68.782 68.868 0.077 0.000 1.084 807 T HN 0.360 nan 8.240 nan 0.000 0.538 808 S N 0.517 116.312 115.700 0.159 0.000 2.507 808 S HA 0.024 4.483 4.470 -0.019 0.000 0.235 808 S C 2.293 176.984 174.600 0.151 0.000 0.988 808 S CA 0.774 59.129 58.200 0.258 0.000 0.944 808 S CB -0.338 62.985 63.200 0.204 0.000 0.762 808 S HN 0.662 nan 8.310 nan 0.000 0.526 809 G N 2.180 111.002 108.800 0.038 0.000 2.505 809 G HA2 -0.322 3.626 3.960 -0.019 0.000 0.220 809 G HA3 -0.322 3.626 3.960 -0.019 0.000 0.220 809 G C 1.275 176.096 174.900 -0.132 0.000 1.145 809 G CA 1.123 46.213 45.100 -0.017 0.000 0.761 809 G HN 0.493 nan 8.290 nan 0.000 0.571 810 K N -0.380 119.808 120.400 -0.355 0.000 2.281 810 K HA -0.053 4.256 4.320 -0.019 0.000 0.203 810 K C 1.079 177.295 176.600 -0.640 0.000 1.046 810 K CA 0.724 56.655 56.287 -0.594 0.000 0.938 810 K CB -0.198 31.730 32.500 -0.953 0.000 0.737 810 K HN 0.377 nan 8.250 nan 0.000 0.458 811 F N 0.542 120.518 119.950 0.043 0.000 2.645 811 F HA 0.187 4.702 4.527 -0.020 0.000 0.300 811 F C 0.746 176.585 175.800 0.064 0.000 1.115 811 F CA -0.371 57.661 58.000 0.052 0.000 1.355 811 F CB 0.129 39.157 39.000 0.047 0.000 1.026 811 F HN -0.170 nan 8.300 nan 0.000 0.536 812 S N -0.118 115.647 115.700 0.108 0.000 2.545 812 S HA 0.159 4.618 4.470 -0.019 0.000 0.275 812 S C 1.369 176.029 174.600 0.100 0.000 1.299 812 S CA -0.292 57.971 58.200 0.106 0.000 1.048 812 S CB 0.845 64.082 63.200 0.061 0.000 0.938 812 S HN 0.277 nan 8.310 nan 0.000 0.496 813 S N 3.389 119.167 115.700 0.130 0.000 2.507 813 S HA -0.064 4.395 4.470 -0.019 0.000 0.235 813 S C 0.883 175.509 174.600 0.043 0.000 0.988 813 S CA 0.566 58.847 58.200 0.134 0.000 0.944 813 S CB -0.291 63.032 63.200 0.206 0.000 0.762 813 S HN 0.792 nan 8.310 nan 0.000 0.526 814 D N 1.502 121.920 120.400 0.029 0.000 2.224 814 D HA -0.037 4.592 4.640 -0.019 0.000 0.205 814 D C 2.039 178.331 176.300 -0.013 0.000 0.965 814 D CA 0.515 54.514 54.000 -0.001 0.000 0.852 814 D CB -0.199 40.601 40.800 0.000 0.000 0.947 814 D HN 0.256 nan 8.370 nan 0.000 0.494 815 R N 0.946 121.442 120.500 -0.007 0.000 2.073 815 R HA -0.053 4.275 4.340 -0.019 0.000 0.229 815 R C 1.762 178.050 176.300 -0.020 0.000 1.120 815 R CA 1.148 57.233 56.100 -0.025 0.000 0.967 815 R CB -0.636 29.637 30.300 -0.046 0.000 0.862 815 R HN 0.069 nan 8.270 nan 0.000 0.436 816 T N 2.034 116.596 114.554 0.014 0.000 2.720 816 T HA -0.114 4.224 4.350 -0.019 0.000 0.268 816 T C 1.900 176.621 174.700 0.035 0.000 1.037 816 T CA 1.252 63.388 62.100 0.060 0.000 1.144 816 T CB -0.049 68.916 68.868 0.160 0.000 0.864 816 T HN 0.084 nan 8.240 nan 0.000 0.444 817 I N 1.453 121.956 120.570 -0.113 0.000 2.277 817 I HA 0.044 4.203 4.170 -0.019 0.000 0.243 817 I C 2.984 179.051 176.117 -0.083 0.000 1.094 817 I CA 0.824 62.005 61.300 -0.198 0.000 1.393 817 I CB -1.631 36.229 38.000 -0.234 0.000 1.078 817 I HN 0.185 nan 8.210 nan 0.000 0.417 818 A N 0.318 123.109 122.820 -0.049 0.000 1.986 818 A HA -0.268 4.040 4.320 -0.019 0.000 0.220 818 A C 2.202 179.747 177.584 -0.066 0.000 1.171 818 A CA 1.767 53.782 52.037 -0.037 0.000 0.640 818 A CB -0.628 18.355 19.000 -0.028 0.000 0.811 818 A HN 0.572 nan 8.150 nan 0.000 0.451 819 Q N -2.248 117.499 119.800 -0.089 0.000 2.137 819 Q HA -0.106 4.222 4.340 -0.019 0.000 0.198 819 Q C 1.874 177.720 176.000 -0.256 0.000 0.960 819 Q CA 1.342 57.058 55.803 -0.145 0.000 0.847 819 Q CB -0.247 28.397 28.738 -0.156 0.000 0.915 819 Q HN 0.811 nan 8.270 nan 0.000 0.448 820 Y N 0.785 120.804 120.300 -0.469 0.000 2.181 820 Y HA -0.256 4.283 4.550 -0.019 0.000 0.288 820 Y C 2.438 177.765 175.900 -0.955 0.000 1.146 820 Y CA 1.211 58.794 58.100 -0.862 0.000 1.164 820 Y CB -0.449 37.199 38.460 -1.353 0.000 0.982 820 Y HN 0.151 nan 8.280 nan 0.000 0.515 821 A N 0.329 122.928 122.820 -0.367 0.000 1.865 821 A HA -0.233 4.076 4.320 -0.019 0.000 0.217 821 A C 2.292 179.877 177.584 0.001 0.000 1.191 821 A CA 2.057 54.101 52.037 0.011 0.000 0.623 821 A CB -0.598 18.469 19.000 0.111 0.000 0.826 821 A HN 0.405 nan 8.150 nan 0.000 0.444 822 R N -0.699 119.767 120.500 -0.057 0.000 2.090 822 R HA -0.059 4.269 4.340 -0.019 0.000 0.228 822 R C 1.766 178.033 176.300 -0.055 0.000 1.110 822 R CA 1.557 57.634 56.100 -0.038 0.000 0.973 822 R CB -0.180 30.093 30.300 -0.044 0.000 0.869 822 R HN 0.680 nan 8.270 nan 0.000 0.440 823 E N -0.741 119.386 120.200 -0.122 0.000 2.460 823 E HA 0.110 4.449 4.350 -0.019 0.000 0.200 823 E C 1.349 177.888 176.600 -0.102 0.000 1.011 823 E CA 0.333 56.669 56.400 -0.108 0.000 0.912 823 E CB 0.617 30.230 29.700 -0.145 0.000 0.953 823 E HN 0.303 nan 8.360 nan 0.000 0.494 824 I N -1.341 119.128 120.570 -0.169 0.000 3.878 824 I HA 0.041 4.200 4.170 -0.019 0.000 0.273 824 I C 1.291 177.493 176.117 0.141 0.000 1.165 824 I CA -0.121 61.138 61.300 -0.068 0.000 1.360 824 I CB 0.158 37.987 38.000 -0.284 0.000 1.539 824 I HN 0.087 nan 8.210 nan 0.000 0.447 825 W N 1.922 123.304 121.300 0.135 0.000 2.770 825 W HA 0.313 4.962 4.660 -0.019 0.000 0.256 825 W C 1.420 177.971 176.519 0.054 0.000 1.291 825 W CA 0.875 58.287 57.345 0.111 0.000 1.396 825 W CB -1.032 28.488 29.460 0.100 0.000 1.114 825 W HN 0.330 nan 8.180 nan 0.000 0.637 826 G N 1.219 110.146 108.800 0.212 0.000 2.289 826 G HA2 -0.128 3.820 3.960 -0.019 0.000 0.280 826 G HA3 -0.128 3.820 3.960 -0.019 0.000 0.280 826 G C -0.712 174.253 174.900 0.109 0.000 1.089 826 G CA 0.131 45.300 45.100 0.114 0.000 0.939 826 G HN 0.084 nan 8.290 nan 0.000 0.499 827 V N -0.190 119.804 119.914 0.132 0.000 2.962 827 V HA 0.727 4.836 4.120 -0.019 0.000 0.313 827 V C -0.765 175.378 176.094 0.082 0.000 1.099 827 V CA -1.025 61.344 62.300 0.115 0.000 0.971 827 V CB 2.155 34.095 31.823 0.195 0.000 1.028 827 V HN 0.332 nan 8.190 nan 0.000 0.430 828 E N 3.685 123.917 120.200 0.053 0.000 2.176 828 E HA 0.442 4.781 4.350 -0.019 0.000 0.267 828 E C -2.591 174.030 176.600 0.034 0.000 0.893 828 E CA -1.925 54.498 56.400 0.037 0.000 0.761 828 E CB 1.912 31.626 29.700 0.024 0.000 1.133 828 E HN 0.435 nan 8.360 nan 0.000 0.409 829 P HA 0.068 nan 4.420 nan 0.000 0.267 829 P C -0.942 176.369 177.300 0.019 0.000 1.205 829 P CA 0.224 63.340 63.100 0.026 0.000 0.765 829 P CB 0.614 32.325 31.700 0.020 0.000 0.828 830 S N 2.355 118.066 115.700 0.018 0.000 2.503 830 S HA 0.407 4.866 4.470 -0.019 0.000 0.301 830 S C 0.710 175.318 174.600 0.013 0.000 1.087 830 S CA -0.849 57.360 58.200 0.015 0.000 1.042 830 S CB 2.342 65.551 63.200 0.015 0.000 1.043 830 S HN 0.433 nan 8.310 nan 0.000 0.489 831 R N 0.885 121.392 120.500 0.012 0.000 2.290 831 R HA 0.060 4.388 4.340 -0.019 0.000 0.197 831 R C 0.591 176.895 176.300 0.006 0.000 0.913 831 R CA 0.048 56.156 56.100 0.014 0.000 1.040 831 R CB 0.159 30.469 30.300 0.016 0.000 0.992 831 R HN 0.818 nan 8.270 nan 0.000 0.500 832 Q N 1.204 121.004 119.800 0.000 0.000 2.364 832 Q HA 0.073 4.402 4.340 -0.019 0.000 0.267 832 Q C -0.976 175.010 176.000 -0.023 0.000 0.999 832 Q CA -0.251 55.546 55.803 -0.009 0.000 0.886 832 Q CB 0.750 29.483 28.738 -0.008 0.000 1.243 832 Q HN -0.125 nan 8.270 nan 0.000 0.415 833 R N 1.877 122.359 120.500 -0.030 0.000 2.449 833 R HA 0.175 4.504 4.340 -0.019 0.000 0.296 833 R C -0.533 175.731 176.300 -0.059 0.000 1.047 833 R CA -0.379 55.694 56.100 -0.045 0.000 1.018 833 R CB 0.107 30.381 30.300 -0.043 0.000 0.962 833 R HN 0.605 nan 8.270 nan 0.000 0.428 834 L N 6.594 127.769 121.223 -0.081 0.000 2.456 834 L HA 0.167 4.496 4.340 -0.019 0.000 0.272 834 L C -1.233 175.584 176.870 -0.089 0.000 1.189 834 L CA -1.342 53.420 54.840 -0.129 0.000 0.846 834 L CB 0.757 42.720 42.059 -0.160 0.000 1.111 834 L HN 0.595 nan 8.230 nan 0.000 0.475 835 P HA -0.199 nan 4.420 nan 0.000 0.217 835 P C 0.276 177.560 177.300 -0.026 0.000 1.148 835 P CA 1.095 64.175 63.100 -0.033 0.000 0.828 835 P CB -0.228 31.468 31.700 -0.008 0.000 0.783 836 A N 1.306 124.106 122.820 -0.032 0.000 2.134 836 A HA -0.109 4.200 4.320 -0.019 0.000 0.327 836 A C -1.446 176.134 177.584 -0.006 0.000 1.194 836 A CA 0.070 52.097 52.037 -0.017 0.000 1.405 836 A CB -1.550 17.433 19.000 -0.029 0.000 0.704 836 A HN 0.301 nan 8.150 nan 0.000 0.342 837 P HA 0.425 nan 4.420 nan 0.000 0.298 837 P C 0.432 177.736 177.300 0.006 0.000 1.367 837 P CA 0.422 63.524 63.100 0.004 0.000 0.821 837 P CB 0.633 32.335 31.700 0.003 0.000 2.025 838 D N -3.396 117.007 120.400 0.003 0.000 4.991 838 D HA 0.122 4.751 4.640 -0.019 0.000 0.326 838 D C -0.813 175.487 176.300 -0.001 0.000 1.824 838 D CA -0.013 53.988 54.000 0.002 0.000 0.989 838 D CB -0.383 40.414 40.800 -0.004 0.000 1.588 838 D HN 0.215 nan 8.370 nan 0.000 0.697 839 E N -0.001 120.195 120.200 -0.007 0.000 2.672 839 E HA 0.810 5.149 4.350 -0.019 0.000 0.235 839 E C -0.858 175.736 176.600 -0.010 0.000 0.906 839 E CA -0.516 55.878 56.400 -0.009 0.000 0.973 839 E CB 0.273 29.965 29.700 -0.013 0.000 1.478 839 E HN 0.584 nan 8.360 nan 0.000 0.430 840 K N -1.625 118.768 120.400 -0.012 0.000 3.123 840 K HA 0.620 4.928 4.320 -0.019 0.000 0.378 840 K C -0.987 175.606 176.600 -0.012 0.000 1.261 840 K CA -0.291 55.989 56.287 -0.013 0.000 0.992 840 K CB -1.244 31.250 32.500 -0.009 0.000 1.256 840 K HN 1.722 nan 8.250 nan 0.000 0.424 841 I N 0.373 120.935 120.570 -0.014 0.000 3.021 841 I HA 0.993 5.152 4.170 -0.019 0.000 0.305 841 I C -2.493 173.616 176.117 -0.014 0.000 1.434 841 I CA -0.816 60.477 61.300 -0.013 0.000 0.969 841 I CB 0.691 38.682 38.000 -0.014 0.000 1.328 841 I HN 1.443 nan 8.210 nan 0.000 0.486 842 P HA 0.000 nan 4.420 nan 0.000 0.216 842 P CA 0.000 63.092 63.100 -0.013 0.000 0.800 842 P CB 0.000 31.693 31.700 -0.011 0.000 0.726