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 3cmg_1_A DATA FIRST_RESID 36 DATA SEQUENCE SLRQDILLNN NWNFRFSHQV QGDTRRVDLP HTWNAQDALA GKIDYKRGIG DATA SEQUENCE NYEKALYIRP EWKGKRLFLR FDGVNSIADV FINRKHIGEH RGGYGAFIFE DATA SEQUENCE ITDLVKYGEK NSVLVRANNG EQLDIMPLVG DFNFYGGIYR DVHLLITDET DATA SEQUENCE CISPLDYASP GVYLVQEVVS PQEAKVCAKV NLSNRAADGT AELQVLVTDG DATA SEQUENCE TKVICKESRN VSLKQGADIL EQLPLLIQKP RLWNGCEDPF MYQVSISLHK DATA SEQUENCE DGKQIDSVTQ PLGLRYYHTD PDKGFFLNGK HLPLHGVCRH QDRAEVGNAL DATA SEQUENCE RPQHHEEDVA LMREMGVNAI RLAHYPQATY MYDLMDKHGI VTWAEIPFVG DATA SEQUENCE PGGYADKGFV DQASFRENGK QQLIELIRQH YNHPSICFWG LFNELKEVGD DATA SEQUENCE NPVEYVKELN ALAKQEDPTR PTTSASNQDG NLNFITENIA WNRYDGWYGS DATA SEQUENCE TPKTLATFLD RTHKKHPELR IGISEYGAGA SIYHQQDSLK QPSASGWWHP DATA SEQUENCE ENWQTYYHME NWKIIAERPF VWGTFVWNMF DFGAAHRTEG DRPGINDKGL DATA SEQUENCE VTFDRKVRKD AFYFYKANWN KQEPMIYLAE KRCRLRYQPE QTFMAFTTAP DATA SEQUENCE EAELFVNGVS CGKQKADTYS TVVWKNVKLT SGENIIRVTT PGKKPLTDEV DATA SEQUENCE TVEYKEDRXX HHH 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 36 S HA 0.000 nan 4.470 nan 0.000 0.327 36 S C 0.000 174.593 174.600 -0.011 0.000 1.055 36 S CA 0.000 58.203 58.200 0.004 0.000 1.107 36 S CB 0.000 63.198 63.200 -0.003 0.000 0.593 37 L N 3.438 124.658 121.223 -0.005 0.000 2.416 37 L HA 0.413 4.759 4.340 0.010 0.000 0.272 37 L C 0.767 177.623 176.870 -0.023 0.000 1.161 37 L CA 0.404 55.234 54.840 -0.015 0.000 0.845 37 L CB 0.652 42.709 42.059 -0.004 0.000 1.119 37 L HN 0.465 nan 8.230 nan 0.000 0.464 38 R N 4.252 124.729 120.500 -0.040 0.000 2.522 38 R HA 0.067 4.413 4.340 0.010 0.000 0.284 38 R C -0.592 175.676 176.300 -0.055 0.000 1.032 38 R CA 0.035 56.103 56.100 -0.052 0.000 1.049 38 R CB 0.472 30.732 30.300 -0.068 0.000 0.956 38 R HN 0.657 nan 8.270 nan 0.000 0.422 39 Q N 2.288 122.045 119.800 -0.072 0.000 2.309 39 Q HA 0.209 4.556 4.340 0.010 0.000 0.264 39 Q C -1.220 174.726 176.000 -0.089 0.000 1.008 39 Q CA -0.783 54.976 55.803 -0.074 0.000 0.853 39 Q CB 2.154 30.838 28.738 -0.089 0.000 1.314 39 Q HN 0.495 nan 8.270 nan 0.000 0.448 40 D N 2.818 123.179 120.400 -0.064 0.000 2.421 40 D HA 0.346 4.992 4.640 0.010 0.000 0.254 40 D C -1.339 174.972 176.300 0.018 0.000 1.238 40 D CA -0.384 53.581 54.000 -0.059 0.000 0.919 40 D CB 0.709 41.440 40.800 -0.115 0.000 1.152 40 D HN 0.474 nan 8.370 nan 0.000 0.552 41 I N 3.837 124.428 120.570 0.035 0.000 2.330 41 I HA 0.200 4.376 4.170 0.010 0.000 0.289 41 I C 0.106 176.269 176.117 0.078 0.000 1.001 41 I CA -0.967 60.364 61.300 0.053 0.000 1.193 41 I CB 1.798 39.812 38.000 0.023 0.000 1.345 41 I HN 0.219 nan 8.210 nan 0.000 0.461 42 L N 7.783 129.042 121.223 0.060 0.000 2.410 42 L HA 0.195 4.541 4.340 0.010 0.000 0.273 42 L C -0.028 176.821 176.870 -0.034 0.000 1.152 42 L CA 0.624 55.432 54.840 -0.053 0.000 0.855 42 L CB 0.365 42.394 42.059 -0.051 0.000 1.129 42 L HN 0.531 nan 8.230 nan 0.000 0.463 43 L N 5.349 126.541 121.223 -0.052 0.000 3.141 43 L HA 0.308 4.654 4.340 0.010 0.000 0.263 43 L C 0.646 177.676 176.870 0.267 0.000 1.312 43 L CA -0.201 54.681 54.840 0.071 0.000 1.012 43 L CB -0.310 41.808 42.059 0.098 0.000 1.408 43 L HN 0.635 nan 8.230 nan 0.000 0.559 44 N N 0.313 119.111 118.700 0.162 0.000 2.415 44 N HA 0.004 4.750 4.740 0.010 0.000 0.176 44 N C 0.235 175.948 175.510 0.339 0.000 1.042 44 N CA 0.416 53.601 53.050 0.224 0.000 0.902 44 N CB 0.140 38.653 38.487 0.042 0.000 0.986 44 N HN 0.405 nan 8.380 nan 0.000 0.447 45 N N 1.180 120.010 118.700 0.216 0.000 2.498 45 N HA 0.143 4.889 4.740 0.010 0.000 0.287 45 N C -0.503 175.087 175.510 0.134 0.000 1.097 45 N CA -0.449 52.698 53.050 0.161 0.000 0.973 45 N CB 0.594 39.122 38.487 0.067 0.000 1.153 45 N HN -0.040 nan 8.380 nan 0.000 0.472 46 N N 1.014 119.815 118.700 0.168 0.000 2.648 46 N HA -0.166 4.581 4.740 0.010 0.000 0.265 46 N C -1.733 173.817 175.510 0.066 0.000 1.100 46 N CA 0.335 53.445 53.050 0.100 0.000 0.715 46 N CB -0.654 37.840 38.487 0.012 0.000 0.881 46 N HN 0.482 nan 8.380 nan 0.000 0.548 47 W N 1.074 122.423 121.300 0.082 0.000 2.436 47 W HA 0.495 5.161 4.660 0.011 0.000 0.347 47 W C 0.740 177.326 176.519 0.111 0.000 1.136 47 W CA -0.557 56.867 57.345 0.131 0.000 1.286 47 W CB 0.657 30.261 29.460 0.241 0.000 1.253 47 W HN 0.094 nan 8.180 nan 0.000 0.617 48 N N 2.448 121.350 118.700 0.338 0.000 2.425 48 N HA 0.292 5.038 4.740 0.010 0.000 0.268 48 N C -1.579 174.046 175.510 0.191 0.000 0.991 48 N CA -0.419 52.751 53.050 0.201 0.000 0.931 48 N CB 1.325 39.874 38.487 0.104 0.000 1.130 48 N HN 0.250 nan 8.380 nan 0.000 0.493 49 F N 3.048 122.946 119.950 -0.087 0.000 2.495 49 F HA 0.523 5.053 4.527 0.004 0.000 0.327 49 F C -0.249 175.377 175.800 -0.290 0.000 1.103 49 F CA -0.799 57.029 58.000 -0.288 0.000 0.949 49 F CB 1.163 39.875 39.000 -0.480 0.000 1.142 49 F HN 0.429 nan 8.300 nan 0.000 0.457 50 R N 3.719 123.515 120.500 -1.173 0.000 2.680 50 R HA 0.511 4.857 4.340 0.010 0.000 0.269 50 R C -2.016 173.460 176.300 -1.374 0.000 1.026 50 R CA -0.903 54.601 56.100 -0.993 0.000 0.889 50 R CB 1.164 31.200 30.300 -0.439 0.000 1.241 50 R HN 0.410 nan 8.270 nan 0.000 0.463 51 F N 0.713 120.147 119.950 -0.860 0.000 2.418 51 F HA 0.193 4.736 4.527 0.027 0.000 0.341 51 F C 1.598 177.031 175.800 -0.611 0.000 1.120 51 F CA 0.026 57.528 58.000 -0.830 0.000 1.232 51 F CB 1.586 39.929 39.000 -1.094 0.000 1.175 51 F HN 0.649 nan 8.300 nan 0.000 0.569 52 S N 0.287 115.843 115.700 -0.241 0.000 2.447 52 S HA -0.171 4.305 4.470 0.010 0.000 0.233 52 S C 1.964 176.511 174.600 -0.089 0.000 1.006 52 S CA 0.904 59.011 58.200 -0.154 0.000 0.957 52 S CB -0.710 62.436 63.200 -0.091 0.000 0.773 52 S HN 0.750 nan 8.310 nan 0.000 0.507 53 H N 0.518 119.573 119.070 -0.026 0.000 2.545 53 H HA 0.105 4.678 4.556 0.027 0.000 0.282 53 H C 1.053 176.368 175.328 -0.021 0.000 1.020 53 H CA 0.407 56.427 56.048 -0.047 0.000 1.243 53 H CB -0.101 29.598 29.762 -0.106 0.000 1.377 53 H HN 0.341 nan 8.280 nan 0.000 0.581 54 Q N 2.802 122.584 119.800 -0.031 0.000 2.441 54 Q HA 0.167 4.514 4.340 0.010 0.000 0.234 54 Q C 1.106 177.095 176.000 -0.017 0.000 1.078 54 Q CA -0.300 55.521 55.803 0.029 0.000 0.907 54 Q CB 1.310 30.048 28.738 -0.001 0.000 1.269 54 Q HN 0.412 nan 8.270 nan 0.000 0.502 55 V N 1.688 121.606 119.914 0.007 0.000 3.041 55 V HA -0.133 3.993 4.120 0.010 0.000 0.260 55 V C 1.364 177.444 176.094 -0.022 0.000 1.105 55 V CA 0.870 63.163 62.300 -0.013 0.000 1.125 55 V CB -0.136 31.686 31.823 -0.001 0.000 0.730 55 V HN 0.550 nan 8.190 nan 0.000 0.479 56 Q N 1.645 121.436 119.800 -0.016 0.000 2.167 56 Q HA 0.227 4.573 4.340 0.010 0.000 0.202 56 Q C 2.045 178.028 176.000 -0.029 0.000 0.970 56 Q CA 2.087 57.880 55.803 -0.016 0.000 0.855 56 Q CB -0.425 28.309 28.738 -0.005 0.000 0.911 56 Q HN 0.928 nan 8.270 nan 0.000 0.438 57 G N -0.511 108.261 108.800 -0.046 0.000 2.213 57 G HA2 -0.190 3.777 3.960 0.010 0.000 0.226 57 G HA3 -0.190 3.777 3.960 0.010 0.000 0.226 57 G C -0.494 174.375 174.900 -0.052 0.000 0.992 57 G CA -0.003 45.063 45.100 -0.057 0.000 0.632 57 G HN 0.316 nan 8.290 nan 0.000 0.511 58 D N 1.811 122.188 120.400 -0.038 0.000 2.399 58 D HA 0.451 5.097 4.640 0.010 0.000 0.241 58 D C 0.914 177.188 176.300 -0.043 0.000 1.133 58 D CA 1.418 55.402 54.000 -0.027 0.000 0.890 58 D CB 1.225 42.020 40.800 -0.008 0.000 1.201 58 D HN 0.575 nan 8.370 nan 0.000 0.432 59 T N -1.749 112.788 114.554 -0.027 0.000 2.901 59 T HA 0.734 5.090 4.350 0.010 0.000 0.293 59 T C -0.219 174.491 174.700 0.016 0.000 1.084 59 T CA -1.227 60.856 62.100 -0.028 0.000 1.008 59 T CB 2.195 71.048 68.868 -0.026 0.000 1.170 59 T HN 0.546 nan 8.240 nan 0.000 0.509 60 R N 0.217 120.745 120.500 0.047 0.000 2.803 60 R HA 0.658 5.005 4.340 0.010 0.000 0.276 60 R C -0.236 176.109 176.300 0.074 0.000 0.978 60 R CA -1.236 54.900 56.100 0.059 0.000 0.939 60 R CB 1.559 31.898 30.300 0.065 0.000 1.179 60 R HN 0.745 nan 8.270 nan 0.000 0.472 61 R N 1.748 122.285 120.500 0.063 0.000 2.522 61 R HA 0.154 4.500 4.340 0.010 0.000 0.284 61 R C -0.321 176.012 176.300 0.055 0.000 1.032 61 R CA -0.106 56.039 56.100 0.076 0.000 1.049 61 R CB 0.525 30.862 30.300 0.061 0.000 0.956 61 R HN 0.618 nan 8.270 nan 0.000 0.422 62 V N 0.151 120.112 119.914 0.078 0.000 3.102 62 V HA 0.642 4.768 4.120 0.010 0.000 0.312 62 V C -1.183 174.988 176.094 0.128 0.000 1.135 62 V CA -1.024 61.273 62.300 -0.005 0.000 1.022 62 V CB 2.459 34.072 31.823 -0.350 0.000 1.056 62 V HN 0.804 nan 8.190 nan 0.000 0.436 63 D N 1.420 121.881 120.400 0.102 0.000 2.780 63 D HA 0.666 5.312 4.640 0.010 0.000 0.242 63 D C -0.680 175.691 176.300 0.118 0.000 1.135 63 D CA -0.396 53.697 54.000 0.154 0.000 0.859 63 D CB 2.118 42.986 40.800 0.114 0.000 1.530 63 D HN 0.710 nan 8.370 nan 0.000 0.493 64 L N 2.472 123.750 121.223 0.092 0.000 2.421 64 L HA 0.500 4.846 4.340 0.010 0.000 0.263 64 L C -1.936 174.942 176.870 0.014 0.000 1.122 64 L CA -1.874 52.972 54.840 0.011 0.000 0.804 64 L CB 0.366 42.348 42.059 -0.128 0.000 1.150 64 L HN 0.190 nan 8.230 nan 0.000 0.457 65 P HA 0.041 nan 4.420 nan 0.000 0.271 65 P C -1.188 176.162 177.300 0.083 0.000 1.216 65 P CA 0.257 63.359 63.100 0.002 0.000 0.776 65 P CB 0.711 32.411 31.700 -0.000 0.000 0.881 66 H N 0.355 119.414 119.070 -0.017 0.000 2.865 66 H HA 0.439 5.000 4.556 0.009 0.000 0.362 66 H C -1.553 173.788 175.328 0.021 0.000 1.114 66 H CA -0.382 55.675 56.048 0.015 0.000 1.208 66 H CB 2.323 32.135 29.762 0.083 0.000 1.727 66 H HN 0.369 nan 8.280 nan 0.000 0.534 67 T N 3.317 117.473 114.554 -0.662 0.000 2.893 67 T HA 0.287 4.644 4.350 0.010 0.000 0.291 67 T C -0.064 174.167 174.700 -0.781 0.000 1.028 67 T CA -0.729 60.980 62.100 -0.651 0.000 0.995 67 T CB 0.494 69.119 68.868 -0.404 0.000 1.051 67 T HN 0.702 nan 8.240 nan 0.000 0.470 68 W N 3.185 124.315 121.300 -0.283 0.000 3.316 68 W HA 0.401 5.063 4.660 0.004 0.000 0.327 68 W C 0.303 176.917 176.519 0.158 0.000 1.232 68 W CA -0.559 56.763 57.345 -0.038 0.000 1.805 68 W CB -0.938 28.677 29.460 0.259 0.000 1.090 68 W HN 0.584 nan 8.180 nan 0.000 0.654 69 N N 0.523 119.289 118.700 0.109 0.000 2.273 69 N HA 0.286 5.033 4.740 0.010 0.000 0.231 69 N C 1.573 177.178 175.510 0.159 0.000 1.134 69 N CA 0.285 53.450 53.050 0.190 0.000 0.856 69 N CB 0.557 39.098 38.487 0.090 0.000 1.068 69 N HN 0.208 nan 8.380 nan 0.000 0.510 70 A N -0.097 122.767 122.820 0.073 0.000 2.067 70 A HA -0.032 4.294 4.320 0.010 0.000 0.217 70 A C 1.989 179.618 177.584 0.075 0.000 1.156 70 A CA 1.092 53.148 52.037 0.032 0.000 0.683 70 A CB 0.151 19.105 19.000 -0.077 0.000 0.808 70 A HN 0.138 nan 8.150 nan 0.000 0.455 71 Q N 0.107 119.970 119.800 0.106 0.000 2.274 71 Q HA -0.008 4.338 4.340 0.010 0.000 0.198 71 Q C 1.705 177.778 176.000 0.121 0.000 0.955 71 Q CA 1.338 57.207 55.803 0.110 0.000 0.859 71 Q CB -0.149 28.659 28.738 0.117 0.000 0.956 71 Q HN 0.752 nan 8.270 nan 0.000 0.516 72 D N 0.442 120.934 120.400 0.154 0.000 2.084 72 D HA -0.102 4.544 4.640 0.010 0.000 0.196 72 D C 1.636 178.004 176.300 0.113 0.000 0.985 72 D CA 1.575 55.670 54.000 0.159 0.000 0.826 72 D CB -0.735 40.197 40.800 0.221 0.000 0.978 72 D HN 0.167 nan 8.370 nan 0.000 0.456 73 A N 0.649 123.475 122.820 0.009 0.000 1.933 73 A HA -0.002 4.324 4.320 0.010 0.000 0.218 73 A C 2.531 180.071 177.584 -0.074 0.000 1.175 73 A CA 1.045 52.951 52.037 -0.219 0.000 0.628 73 A CB -0.898 17.594 19.000 -0.847 0.000 0.814 73 A HN 0.309 nan 8.150 nan 0.000 0.444 74 L N -1.027 120.220 121.223 0.039 0.000 2.465 74 L HA -0.063 4.284 4.340 0.010 0.000 0.224 74 L C 2.506 179.429 176.870 0.088 0.000 1.145 74 L CA 0.662 55.566 54.840 0.106 0.000 0.834 74 L CB -0.322 41.855 42.059 0.196 0.000 0.944 74 L HN 0.439 nan 8.230 nan 0.000 0.451 75 A N -0.368 122.499 122.820 0.078 0.000 2.251 75 A HA 0.350 4.676 4.320 0.010 0.000 0.209 75 A C 1.642 179.269 177.584 0.072 0.000 1.187 75 A CA 0.618 52.701 52.037 0.077 0.000 0.823 75 A CB -0.256 18.793 19.000 0.080 0.000 0.846 75 A HN 0.468 nan 8.150 nan 0.000 0.486 76 G N -0.222 108.614 108.800 0.059 0.000 2.137 76 G HA2 -0.269 3.697 3.960 0.010 0.000 0.237 76 G HA3 -0.269 3.697 3.960 0.010 0.000 0.237 76 G C 0.120 175.080 174.900 0.100 0.000 1.002 76 G CA 0.419 45.558 45.100 0.064 0.000 0.702 76 G HN 0.734 nan 8.290 nan 0.000 0.515 77 K N 1.037 121.513 120.400 0.126 0.000 2.310 77 K HA 0.498 4.824 4.320 0.010 0.000 0.290 77 K C 2.029 178.761 176.600 0.221 0.000 1.077 77 K CA -0.303 56.076 56.287 0.154 0.000 0.922 77 K CB 0.039 32.636 32.500 0.162 0.000 1.057 77 K HN 0.454 nan 8.250 nan 0.000 0.479 78 I N 1.018 121.681 120.570 0.155 0.000 2.546 78 I HA -0.075 4.102 4.170 0.010 0.000 0.255 78 I C 0.401 176.548 176.117 0.050 0.000 1.163 78 I CA 0.676 62.067 61.300 0.152 0.000 1.457 78 I CB -0.055 38.003 38.000 0.097 0.000 1.092 78 I HN 0.459 nan 8.210 nan 0.000 0.434 79 D N 1.601 122.014 120.400 0.022 0.000 3.179 79 D HA 0.063 4.709 4.640 0.010 0.000 0.267 79 D C 0.131 176.410 176.300 -0.035 0.000 1.348 79 D CA -0.659 53.294 54.000 -0.078 0.000 0.897 79 D CB -0.928 39.846 40.800 -0.044 0.000 1.062 79 D HN 0.570 nan 8.370 nan 0.000 0.494 80 Y N -0.596 119.748 120.300 0.072 0.000 2.459 80 Y HA 0.271 4.820 4.550 -0.001 0.000 0.349 80 Y C 0.866 176.847 175.900 0.135 0.000 1.266 80 Y CA -1.393 56.768 58.100 0.102 0.000 1.483 80 Y CB 0.433 38.959 38.460 0.109 0.000 1.362 80 Y HN -0.192 nan 8.280 nan 0.000 0.628 81 K N 2.403 123.036 120.400 0.387 0.000 2.395 81 K HA 0.123 4.449 4.320 0.010 0.000 0.283 81 K C -1.101 175.776 176.600 0.461 0.000 1.068 81 K CA 0.309 56.763 56.287 0.278 0.000 1.039 81 K CB 0.027 32.632 32.500 0.176 0.000 0.924 81 K HN 0.810 nan 8.250 nan 0.000 0.468 82 R N 3.528 124.179 120.500 0.252 0.000 2.412 82 R HA 0.538 4.884 4.340 0.010 0.000 0.304 82 R C -0.317 176.125 176.300 0.237 0.000 1.066 82 R CA -0.421 55.861 56.100 0.304 0.000 0.923 82 R CB 1.607 31.977 30.300 0.117 0.000 1.156 82 R HN 0.923 nan 8.270 nan 0.000 0.513 83 G N 2.313 111.320 108.800 0.345 0.000 2.393 83 G HA2 0.218 4.184 3.960 0.010 0.000 0.264 83 G HA3 0.218 4.184 3.960 0.010 0.000 0.264 83 G C -1.389 173.659 174.900 0.246 0.000 1.221 83 G CA -0.804 44.425 45.100 0.214 0.000 0.912 83 G HN 0.281 nan 8.290 nan 0.000 0.483 84 I N 1.619 122.247 120.570 0.097 0.000 2.336 84 I HA 0.566 4.742 4.170 0.010 0.000 0.292 84 I C 0.661 176.686 176.117 -0.153 0.000 0.991 84 I CA -0.471 60.870 61.300 0.068 0.000 1.227 84 I CB 1.617 39.653 38.000 0.060 0.000 1.366 84 I HN 0.614 nan 8.210 nan 0.000 0.466 85 G N 5.383 114.019 108.800 -0.274 0.000 2.461 85 G HA2 0.451 4.417 3.960 0.010 0.000 0.323 85 G HA3 0.451 4.417 3.960 0.010 0.000 0.323 85 G C -0.957 173.798 174.900 -0.242 0.000 1.229 85 G CA -0.608 44.135 45.100 -0.595 0.000 0.941 85 G HN 0.586 nan 8.290 nan 0.000 0.477 86 N N 0.542 118.847 118.700 -0.659 0.000 2.342 86 N HA 0.387 5.133 4.740 0.010 0.000 0.293 86 N C -1.602 173.776 175.510 -0.219 0.000 1.026 86 N CA -0.253 52.649 53.050 -0.246 0.000 0.857 86 N CB 2.378 40.701 38.487 -0.273 0.000 1.256 86 N HN 0.455 nan 8.380 nan 0.000 0.484 87 Y N 0.174 120.568 120.300 0.156 0.000 2.350 87 Y HA 0.324 4.881 4.550 0.013 0.000 0.338 87 Y C 0.161 176.346 175.900 0.474 0.000 0.961 87 Y CA -0.738 57.559 58.100 0.328 0.000 1.100 87 Y CB 2.152 40.744 38.460 0.220 0.000 1.179 87 Y HN 0.440 nan 8.280 nan 0.000 0.454 88 E N 3.451 124.015 120.200 0.605 0.000 2.293 88 E HA 0.530 4.887 4.350 0.010 0.000 0.270 88 E C -1.728 175.002 176.600 0.217 0.000 0.879 88 E CA -1.021 55.634 56.400 0.425 0.000 0.756 88 E CB 1.937 31.750 29.700 0.187 0.000 1.208 88 E HN 0.611 nan 8.360 nan 0.000 0.428 89 K N 2.221 122.571 120.400 -0.084 0.000 2.523 89 K HA 0.635 4.961 4.320 0.010 0.000 0.257 89 K C -1.732 174.719 176.600 -0.249 0.000 0.932 89 K CA -0.702 55.333 56.287 -0.421 0.000 0.812 89 K CB 1.846 33.531 32.500 -1.357 0.000 1.326 89 K HN 0.499 nan 8.250 nan 0.000 0.433 90 A N 3.288 126.001 122.820 -0.179 0.000 2.366 90 A HA 0.490 4.816 4.320 0.010 0.000 0.272 90 A C -1.174 176.351 177.584 -0.098 0.000 1.135 90 A CA -0.490 51.489 52.037 -0.096 0.000 0.804 90 A CB 0.379 19.349 19.000 -0.050 0.000 1.064 90 A HN 0.521 nan 8.150 nan 0.000 0.499 91 L N 3.240 124.436 121.223 -0.045 0.000 2.343 91 L HA 0.447 4.793 4.340 0.010 0.000 0.278 91 L C -1.001 175.902 176.870 0.055 0.000 0.996 91 L CA -0.564 54.276 54.840 -0.000 0.000 0.831 91 L CB 1.181 43.236 42.059 -0.006 0.000 1.232 91 L HN 0.635 nan 8.230 nan 0.000 0.413 92 Y N 6.145 126.424 120.300 -0.035 0.000 2.436 92 Y HA 0.414 4.970 4.550 0.010 0.000 0.336 92 Y C -0.251 175.600 175.900 -0.081 0.000 1.049 92 Y CA -0.358 57.699 58.100 -0.071 0.000 1.294 92 Y CB 0.424 38.824 38.460 -0.100 0.000 1.179 92 Y HN 0.422 nan 8.280 nan 0.000 0.520 93 I N 8.176 128.355 120.570 -0.652 0.000 2.297 93 I HA 0.253 4.429 4.170 0.010 0.000 0.291 93 I C 0.217 175.775 176.117 -0.932 0.000 1.033 93 I CA -0.384 60.621 61.300 -0.491 0.000 1.253 93 I CB 0.653 38.440 38.000 -0.356 0.000 1.396 93 I HN 0.601 nan 8.210 nan 0.000 0.476 94 R N 8.131 127.867 120.500 -1.273 0.000 2.537 94 R HA 0.134 4.480 4.340 0.010 0.000 0.280 94 R C -1.273 174.711 176.300 -0.527 0.000 1.058 94 R CA -1.239 54.201 56.100 -1.100 0.000 1.057 94 R CB 0.434 29.770 30.300 -1.607 0.000 0.973 94 R HN 0.376 nan 8.270 nan 0.000 0.438 95 P HA -0.225 nan 4.420 nan 0.000 0.218 95 P C 0.704 177.964 177.300 -0.066 0.000 1.148 95 P CA 1.398 64.445 63.100 -0.088 0.000 0.822 95 P CB 0.114 31.781 31.700 -0.054 0.000 0.784 96 E N -1.440 118.690 120.200 -0.117 0.000 2.511 96 E HA -0.133 4.223 4.350 0.010 0.000 0.196 96 E C 0.998 177.689 176.600 0.152 0.000 1.066 96 E CA 0.453 56.845 56.400 -0.014 0.000 0.871 96 E CB -0.791 28.907 29.700 -0.004 0.000 0.863 96 E HN 0.305 nan 8.360 nan 0.000 0.520 97 W N 1.967 123.301 121.300 0.056 0.000 3.139 97 W HA 0.226 4.892 4.660 0.010 0.000 0.260 97 W C 0.704 177.231 176.519 0.013 0.000 1.312 97 W CA -0.812 56.583 57.345 0.083 0.000 1.606 97 W CB -0.357 29.193 29.460 0.151 0.000 1.118 97 W HN -0.061 nan 8.180 nan 0.000 0.675 98 K N 0.913 121.302 120.400 -0.018 0.000 2.447 98 K HA 0.323 4.649 4.320 0.010 0.000 0.281 98 K C 1.225 177.697 176.600 -0.213 0.000 1.031 98 K CA 1.513 57.488 56.287 -0.520 0.000 1.019 98 K CB 0.299 32.444 32.500 -0.592 0.000 0.918 98 K HN 0.164 nan 8.250 nan 0.000 0.476 99 G N 2.981 111.660 108.800 -0.201 0.000 2.213 99 G HA2 -0.208 3.759 3.960 0.010 0.000 0.236 99 G HA3 -0.208 3.759 3.960 0.010 0.000 0.236 99 G C -0.116 174.769 174.900 -0.026 0.000 0.991 99 G CA 0.134 45.182 45.100 -0.086 0.000 0.629 99 G HN 0.537 nan 8.290 nan 0.000 0.517 100 K N 0.105 120.511 120.400 0.009 0.000 2.210 100 K HA 0.677 5.003 4.320 0.010 0.000 0.236 100 K C 0.448 177.046 176.600 -0.004 0.000 1.016 100 K CA -0.691 55.608 56.287 0.021 0.000 0.913 100 K CB 1.037 33.559 32.500 0.037 0.000 1.141 100 K HN 0.273 nan 8.250 nan 0.000 0.462 101 R N 0.497 120.977 120.500 -0.033 0.000 2.604 101 R HA 0.549 4.896 4.340 0.010 0.000 0.287 101 R C -0.478 175.631 176.300 -0.320 0.000 0.970 101 R CA -0.649 55.346 56.100 -0.176 0.000 0.946 101 R CB 0.976 31.208 30.300 -0.113 0.000 1.127 101 R HN 0.332 nan 8.270 nan 0.000 0.473 102 L N 3.416 124.280 121.223 -0.598 0.000 2.385 102 L HA 0.579 4.925 4.340 0.010 0.000 0.273 102 L C -1.215 175.256 176.870 -0.665 0.000 0.990 102 L CA -0.649 53.922 54.840 -0.449 0.000 0.821 102 L CB 1.356 43.276 42.059 -0.231 0.000 1.279 102 L HN 0.501 nan 8.230 nan 0.000 0.412 103 F N 2.809 122.723 119.950 -0.061 0.000 2.569 103 F HA 0.523 5.056 4.527 0.010 0.000 0.312 103 F C -0.364 175.416 175.800 -0.032 0.000 1.109 103 F CA -0.606 57.382 58.000 -0.020 0.000 0.919 103 F CB 1.932 40.906 39.000 -0.043 0.000 1.211 103 F HN 0.152 nan 8.300 nan 0.000 0.446 104 L N 3.634 124.972 121.223 0.192 0.000 2.272 104 L HA 0.562 4.908 4.340 0.010 0.000 0.289 104 L C -0.202 176.662 176.870 -0.010 0.000 1.032 104 L CA -0.492 54.383 54.840 0.059 0.000 0.810 104 L CB 1.548 43.710 42.059 0.171 0.000 1.205 104 L HN 0.616 nan 8.230 nan 0.000 0.422 105 R N 3.366 123.748 120.500 -0.196 0.000 2.437 105 R HA 0.523 4.869 4.340 0.010 0.000 0.310 105 R C -1.562 174.451 176.300 -0.477 0.000 0.955 105 R CA -0.501 55.464 56.100 -0.226 0.000 0.851 105 R CB 1.111 31.328 30.300 -0.139 0.000 1.161 105 R HN 0.310 nan 8.270 nan 0.000 0.446 106 F N 3.089 122.706 119.950 -0.555 0.000 2.411 106 F HA 0.228 4.761 4.527 0.010 0.000 0.352 106 F C 0.805 176.269 175.800 -0.559 0.000 1.123 106 F CA -0.604 56.990 58.000 -0.677 0.000 1.044 106 F CB 1.881 40.077 39.000 -1.339 0.000 1.135 106 F HN 0.584 nan 8.300 nan 0.000 0.461 107 D N 1.961 122.250 120.400 -0.186 0.000 2.269 107 D HA 0.142 4.789 4.640 0.010 0.000 0.208 107 D C 0.862 177.093 176.300 -0.115 0.000 0.963 107 D CA 0.934 54.871 54.000 -0.105 0.000 0.864 107 D CB 0.294 41.063 40.800 -0.052 0.000 0.936 107 D HN 0.659 nan 8.370 nan 0.000 0.505 108 G N -0.865 107.824 108.800 -0.186 0.000 2.299 108 G HA2 0.400 4.366 3.960 0.010 0.000 0.312 108 G HA3 0.400 4.366 3.960 0.010 0.000 0.312 108 G C -1.683 173.131 174.900 -0.143 0.000 1.654 108 G CA -0.628 44.371 45.100 -0.169 0.000 0.912 108 G HN -0.056 nan 8.290 nan 0.000 0.667 109 V N 2.004 122.056 119.914 0.230 0.000 2.524 109 V HA 0.501 4.627 4.120 0.010 0.000 0.297 109 V C -0.591 175.679 176.094 0.292 0.000 1.035 109 V CA -1.171 61.298 62.300 0.282 0.000 0.867 109 V CB 1.872 33.886 31.823 0.319 0.000 1.004 109 V HN 0.714 nan 8.190 nan 0.000 0.426 110 N N 2.402 121.260 118.700 0.264 0.000 2.425 110 N HA 0.397 5.143 4.740 0.010 0.000 0.268 110 N C 0.697 176.289 175.510 0.136 0.000 0.991 110 N CA 0.210 53.317 53.050 0.095 0.000 0.931 110 N CB 1.855 40.283 38.487 -0.099 0.000 1.130 110 N HN 0.726 nan 8.380 nan 0.000 0.493 111 S N 2.238 118.034 115.700 0.160 0.000 2.604 111 S HA 0.395 4.871 4.470 0.010 0.000 0.235 111 S C 0.369 175.026 174.600 0.095 0.000 1.043 111 S CA -0.267 58.000 58.200 0.111 0.000 0.997 111 S CB 0.185 63.444 63.200 0.099 0.000 0.956 111 S HN 0.434 nan 8.310 nan 0.000 0.535 112 I N 1.789 122.428 120.570 0.115 0.000 2.545 112 I HA 0.714 4.890 4.170 0.010 0.000 0.292 112 I C -0.634 175.537 176.117 0.089 0.000 1.040 112 I CA -1.068 60.263 61.300 0.052 0.000 1.068 112 I CB 2.134 40.169 38.000 0.059 0.000 1.251 112 I HN 0.234 nan 8.210 nan 0.000 0.424 113 A N 5.105 127.919 122.820 -0.009 0.000 2.343 113 A HA 0.613 4.939 4.320 0.010 0.000 0.316 113 A C -1.221 176.368 177.584 0.009 0.000 1.104 113 A CA -0.604 51.447 52.037 0.023 0.000 0.768 113 A CB 0.991 19.966 19.000 -0.042 0.000 1.213 113 A HN 0.679 nan 8.150 nan 0.000 0.456 114 D N 1.852 122.318 120.400 0.110 0.000 2.391 114 D HA 0.469 5.115 4.640 0.010 0.000 0.245 114 D C -0.943 175.350 176.300 -0.012 0.000 1.069 114 D CA -0.030 54.000 54.000 0.051 0.000 0.831 114 D CB 2.245 43.210 40.800 0.275 0.000 1.204 114 D HN 0.226 nan 8.370 nan 0.000 0.503 115 V N 3.233 122.886 119.914 -0.434 0.000 2.513 115 V HA 0.512 4.639 4.120 0.010 0.000 0.299 115 V C -0.590 175.165 176.094 -0.564 0.000 1.035 115 V CA -0.634 61.523 62.300 -0.239 0.000 0.889 115 V CB 1.365 33.072 31.823 -0.192 0.000 0.988 115 V HN 0.378 nan 8.190 nan 0.000 0.440 116 F N 4.206 124.138 119.950 -0.031 0.000 2.556 116 F HA 0.642 5.175 4.527 0.010 0.000 0.314 116 F C -0.315 175.500 175.800 0.025 0.000 1.106 116 F CA -0.814 57.175 58.000 -0.018 0.000 0.911 116 F CB 1.944 40.975 39.000 0.052 0.000 1.190 116 F HN 0.146 nan 8.300 nan 0.000 0.448 117 I N 3.415 124.071 120.570 0.144 0.000 2.406 117 I HA 0.236 4.412 4.170 0.010 0.000 0.290 117 I C -0.150 176.026 176.117 0.097 0.000 0.999 117 I CA -0.818 60.545 61.300 0.105 0.000 1.124 117 I CB 1.330 39.353 38.000 0.039 0.000 1.289 117 I HN 0.659 nan 8.210 nan 0.000 0.441 118 N N 6.624 125.373 118.700 0.082 0.000 2.710 118 N HA -0.238 4.508 4.740 0.010 0.000 0.249 118 N C 0.460 176.023 175.510 0.087 0.000 1.059 118 N CA 0.423 53.511 53.050 0.063 0.000 0.720 118 N CB -0.523 37.984 38.487 0.034 0.000 0.983 118 N HN 0.601 nan 8.380 nan 0.000 0.544 119 R N -3.292 117.287 120.500 0.132 0.000 3.954 119 R HA -0.163 4.183 4.340 0.010 0.000 0.422 119 R C -0.380 176.080 176.300 0.267 0.000 1.091 119 R CA 1.138 57.321 56.100 0.138 0.000 1.168 119 R CB -1.510 28.809 30.300 0.031 0.000 1.752 119 R HN 0.418 nan 8.270 nan 0.000 0.547 120 K N 1.611 122.166 120.400 0.258 0.000 2.211 120 K HA 0.210 4.536 4.320 0.010 0.000 0.275 120 K C 0.324 177.050 176.600 0.210 0.000 1.024 120 K CA -0.562 55.867 56.287 0.237 0.000 0.887 120 K CB 1.194 33.759 32.500 0.108 0.000 1.084 120 K HN 0.126 nan 8.250 nan 0.000 0.463 121 H N 4.165 123.260 119.070 0.041 0.000 3.004 121 H HA -0.004 4.558 4.556 0.010 0.000 0.316 121 H C 0.839 175.952 175.328 -0.357 0.000 1.014 121 H CA 0.623 56.386 56.048 -0.474 0.000 1.454 121 H CB 0.599 30.120 29.762 -0.403 0.000 1.472 121 H HN 0.697 nan 8.280 nan 0.000 0.571 122 I N 1.947 121.998 120.570 -0.865 0.000 4.187 122 I HA 0.461 4.637 4.170 0.010 0.000 0.326 122 I C 0.615 176.201 176.117 -0.884 0.000 1.302 122 I CA 0.294 61.209 61.300 -0.642 0.000 1.196 122 I CB 1.047 38.764 38.000 -0.472 0.000 1.095 122 I HN 0.585 nan 8.210 nan 0.000 0.411 123 G N 1.077 109.033 108.800 -1.406 0.000 2.316 123 G HA2 0.279 4.246 3.960 0.010 0.000 0.296 123 G HA3 0.279 4.246 3.960 0.010 0.000 0.296 123 G C -2.203 172.289 174.900 -0.680 0.000 1.399 123 G CA -0.570 43.962 45.100 -0.948 0.000 0.833 123 G HN 0.239 nan 8.290 nan 0.000 0.565 124 E N -0.624 119.542 120.200 -0.058 0.000 2.317 124 E HA 0.523 4.879 4.350 0.010 0.000 0.270 124 E C -1.623 175.031 176.600 0.091 0.000 0.885 124 E CA -0.811 55.613 56.400 0.040 0.000 0.760 124 E CB 2.096 31.844 29.700 0.080 0.000 1.227 124 E HN 0.597 nan 8.360 nan 0.000 0.434 125 H N 3.961 122.887 119.070 -0.241 0.000 2.589 125 H HA 0.442 5.004 4.556 0.010 0.000 0.351 125 H C -1.152 173.999 175.328 -0.295 0.000 1.074 125 H CA -0.692 55.090 56.048 -0.443 0.000 1.203 125 H CB 1.233 30.205 29.762 -1.317 0.000 1.558 125 H HN 0.505 nan 8.280 nan 0.000 0.522 126 R N 2.797 122.806 120.500 -0.819 0.000 2.337 126 R HA 0.480 4.826 4.340 0.010 0.000 0.319 126 R C -0.874 175.112 176.300 -0.523 0.000 0.954 126 R CA -0.578 55.246 56.100 -0.460 0.000 0.840 126 R CB 1.760 31.916 30.300 -0.241 0.000 1.164 126 R HN 0.895 nan 8.270 nan 0.000 0.472 127 G N 0.462 109.133 108.800 -0.215 0.000 2.542 127 G HA2 0.042 4.008 3.960 0.010 0.000 0.391 127 G HA3 0.042 4.008 3.960 0.010 0.000 0.391 127 G C 0.150 175.209 174.900 0.264 0.000 1.551 127 G CA -0.532 44.608 45.100 0.067 0.000 0.946 127 G HN 0.631 nan 8.290 nan 0.000 0.662 128 G N -0.337 108.575 108.800 0.187 0.000 2.985 128 G HA2 0.341 4.307 3.960 0.010 0.000 0.209 128 G HA3 0.341 4.307 3.960 0.010 0.000 0.209 128 G C 0.731 175.474 174.900 -0.261 0.000 1.165 128 G CA 1.042 46.062 45.100 -0.133 0.000 0.776 128 G HN 0.659 nan 8.290 nan 0.000 0.541 129 Y N -0.613 119.936 120.300 0.415 0.000 2.476 129 Y HA 0.347 4.903 4.550 0.010 0.000 0.261 129 Y C 1.603 177.732 175.900 0.382 0.000 1.077 129 Y CA -0.691 57.651 58.100 0.404 0.000 1.240 129 Y CB 0.652 39.343 38.460 0.385 0.000 1.317 129 Y HN 0.137 nan 8.280 nan 0.000 0.540 130 G N 0.644 109.743 108.800 0.497 0.000 2.410 130 G HA2 0.611 4.577 3.960 0.010 0.000 0.330 130 G HA3 0.611 4.577 3.960 0.010 0.000 0.330 130 G C -0.353 174.698 174.900 0.251 0.000 1.142 130 G CA -0.230 45.105 45.100 0.391 0.000 0.902 130 G HN 0.241 nan 8.290 nan 0.000 0.491 131 A N 0.103 123.017 122.820 0.157 0.000 2.346 131 A HA 0.799 5.125 4.320 0.010 0.000 0.252 131 A C -0.389 177.185 177.584 -0.016 0.000 1.089 131 A CA -0.051 51.990 52.037 0.007 0.000 0.797 131 A CB 0.083 19.069 19.000 -0.024 0.000 1.047 131 A HN 1.496 nan 8.150 nan 0.000 0.494 132 F N -1.767 118.048 119.950 -0.225 0.000 2.713 132 F HA 0.810 5.342 4.527 0.009 0.000 0.311 132 F C -1.106 174.551 175.800 -0.239 0.000 1.141 132 F CA -1.163 56.634 58.000 -0.339 0.000 0.939 132 F CB 1.294 39.907 39.000 -0.645 0.000 1.325 132 F HN 0.606 nan 8.300 nan 0.000 0.453 133 I N 1.248 121.659 120.570 -0.264 0.000 2.913 133 I HA 0.688 4.865 4.170 0.010 0.000 0.302 133 I C -2.179 173.677 176.117 -0.436 0.000 1.246 133 I CA -0.794 60.366 61.300 -0.233 0.000 1.010 133 I CB 2.334 40.266 38.000 -0.114 0.000 1.259 133 I HN 0.636 nan 8.210 nan 0.000 0.434 134 F N 4.189 124.296 119.950 0.261 0.000 2.561 134 F HA 0.409 4.941 4.527 0.010 0.000 0.313 134 F C -0.102 175.819 175.800 0.201 0.000 1.126 134 F CA -0.629 57.495 58.000 0.206 0.000 0.918 134 F CB 1.812 40.916 39.000 0.174 0.000 1.199 134 F HN 0.352 nan 8.300 nan 0.000 0.444 135 E N 3.620 124.022 120.200 0.336 0.000 2.316 135 E HA 0.351 4.707 4.350 0.010 0.000 0.275 135 E C 0.434 177.033 176.600 -0.001 0.000 1.029 135 E CA -0.096 56.340 56.400 0.060 0.000 0.871 135 E CB 0.732 30.426 29.700 -0.010 0.000 1.022 135 E HN 0.742 nan 8.360 nan 0.000 0.418 136 I N 1.028 121.531 120.570 -0.112 0.000 4.154 136 I HA 0.153 4.329 4.170 0.010 0.000 0.334 136 I C 1.090 177.151 176.117 -0.093 0.000 1.371 136 I CA -0.429 60.835 61.300 -0.060 0.000 1.110 136 I CB 0.465 38.454 38.000 -0.018 0.000 1.085 136 I HN 0.391 nan 8.210 nan 0.000 0.398 137 T N 1.594 116.059 114.554 -0.149 0.000 2.624 137 T HA -0.232 4.124 4.350 0.010 0.000 0.266 137 T C 1.094 175.835 174.700 0.069 0.000 1.050 137 T CA 2.467 64.539 62.100 -0.046 0.000 1.163 137 T CB -0.390 68.413 68.868 -0.108 0.000 0.861 137 T HN 0.482 nan 8.240 nan 0.000 0.443 138 D N 0.358 120.774 120.400 0.027 0.000 2.342 138 D HA 0.229 4.875 4.640 0.010 0.000 0.221 138 D C 1.162 177.481 176.300 0.032 0.000 1.101 138 D CA 0.146 54.179 54.000 0.056 0.000 0.837 138 D CB 0.250 41.071 40.800 0.035 0.000 0.938 138 D HN 0.372 nan 8.370 nan 0.000 0.508 139 L N 0.175 121.395 121.223 -0.005 0.000 2.858 139 L HA 0.164 4.510 4.340 0.010 0.000 0.251 139 L C 0.461 177.300 176.870 -0.051 0.000 1.149 139 L CA -0.093 54.735 54.840 -0.020 0.000 0.955 139 L CB 0.827 42.872 42.059 -0.024 0.000 1.289 139 L HN -0.168 nan 8.230 nan 0.000 0.542 140 V N -3.222 116.623 119.914 -0.115 0.000 3.019 140 V HA 0.487 4.614 4.120 0.010 0.000 0.317 140 V C -0.424 175.527 176.094 -0.240 0.000 1.094 140 V CA -1.079 61.093 62.300 -0.214 0.000 1.000 140 V CB 1.873 33.481 31.823 -0.359 0.000 1.060 140 V HN 0.064 nan 8.190 nan 0.000 0.443 141 K N 2.093 122.367 120.400 -0.210 0.000 2.253 141 K HA 0.489 4.815 4.320 0.010 0.000 0.277 141 K C -1.389 175.076 176.600 -0.225 0.000 1.053 141 K CA -0.252 55.958 56.287 -0.128 0.000 0.892 141 K CB 0.966 33.431 32.500 -0.057 0.000 1.102 141 K HN 0.680 nan 8.250 nan 0.000 0.469 142 Y N 0.531 120.787 120.300 -0.073 0.000 2.411 142 Y HA 0.146 4.703 4.550 0.011 0.000 0.333 142 Y C 1.625 177.422 175.900 -0.171 0.000 1.186 142 Y CA 1.057 59.083 58.100 -0.123 0.000 1.381 142 Y CB 1.147 39.561 38.460 -0.075 0.000 1.273 142 Y HN 0.953 nan 8.280 nan 0.000 0.546 143 G N 1.372 110.050 108.800 -0.203 0.000 2.143 143 G HA2 -0.218 3.748 3.960 0.010 0.000 0.248 143 G HA3 -0.218 3.748 3.960 0.010 0.000 0.248 143 G C -0.274 174.542 174.900 -0.139 0.000 0.991 143 G CA 0.286 45.259 45.100 -0.211 0.000 0.689 143 G HN 0.695 nan 8.290 nan 0.000 0.522 144 E N -1.274 118.774 120.200 -0.253 0.000 2.458 144 E HA 0.633 4.989 4.350 0.010 0.000 0.278 144 E C -0.718 175.847 176.600 -0.059 0.000 1.004 144 E CA -1.397 54.985 56.400 -0.029 0.000 0.823 144 E CB 1.129 30.832 29.700 0.005 0.000 1.396 144 E HN 0.114 nan 8.360 nan 0.000 0.463 145 K N 1.063 121.525 120.400 0.103 0.000 2.322 145 K HA 0.285 4.612 4.320 0.010 0.000 0.283 145 K C -0.450 176.149 176.600 -0.001 0.000 1.042 145 K CA -0.123 56.209 56.287 0.075 0.000 0.958 145 K CB 0.456 33.009 32.500 0.088 0.000 0.984 145 K HN 0.326 nan 8.250 nan 0.000 0.473 146 N N 0.900 119.586 118.700 -0.023 0.000 2.314 146 N HA 0.085 4.832 4.740 0.010 0.000 0.304 146 N C -1.074 174.433 175.510 -0.006 0.000 1.073 146 N CA -0.423 52.611 53.050 -0.026 0.000 0.822 146 N CB 2.071 40.524 38.487 -0.056 0.000 1.280 146 N HN 0.411 nan 8.380 nan 0.000 0.489 147 S N 1.206 116.914 115.700 0.013 0.000 2.523 147 S HA 0.303 4.779 4.470 0.010 0.000 0.275 147 S C -0.342 174.301 174.600 0.073 0.000 1.281 147 S CA -0.516 57.703 58.200 0.031 0.000 1.050 147 S CB 0.352 63.577 63.200 0.042 0.000 0.937 147 S HN 0.250 nan 8.310 nan 0.000 0.492 148 V N 6.179 126.145 119.914 0.086 0.000 2.417 148 V HA 0.559 4.686 4.120 0.010 0.000 0.291 148 V C -0.427 175.861 176.094 0.323 0.000 1.024 148 V CA -0.799 61.625 62.300 0.206 0.000 0.861 148 V CB 1.168 33.123 31.823 0.218 0.000 0.985 148 V HN 0.838 nan 8.190 nan 0.000 0.436 149 L N 6.746 128.193 121.223 0.374 0.000 2.356 149 L HA 0.773 5.119 4.340 0.010 0.000 0.277 149 L C -0.780 176.387 176.870 0.495 0.000 0.996 149 L CA -0.075 55.003 54.840 0.396 0.000 0.822 149 L CB 1.967 44.154 42.059 0.212 0.000 1.256 149 L HN 0.412 nan 8.230 nan 0.000 0.413 150 V N 5.675 125.885 119.914 0.492 0.000 2.409 150 V HA 0.568 4.694 4.120 0.010 0.000 0.291 150 V C -0.138 176.207 176.094 0.419 0.000 1.020 150 V CA -0.590 61.960 62.300 0.418 0.000 0.848 150 V CB 1.530 33.528 31.823 0.292 0.000 0.990 150 V HN 0.674 nan 8.190 nan 0.000 0.430 151 R N 3.590 124.328 120.500 0.397 0.000 2.239 151 R HA 0.722 5.068 4.340 0.010 0.000 0.332 151 R C -0.237 176.271 176.300 0.347 0.000 0.988 151 R CA -0.272 56.027 56.100 0.332 0.000 0.859 151 R CB 1.730 32.211 30.300 0.302 0.000 1.148 151 R HN 0.777 nan 8.270 nan 0.000 0.482 152 A N 2.990 126.080 122.820 0.450 0.000 2.306 152 A HA 0.410 4.737 4.320 0.010 0.000 0.314 152 A C -0.476 177.442 177.584 0.556 0.000 1.164 152 A CA -0.637 51.705 52.037 0.509 0.000 0.822 152 A CB 0.884 20.307 19.000 0.706 0.000 1.130 152 A HN 0.606 nan 8.150 nan 0.000 0.496 153 N N 1.291 120.257 118.700 0.442 0.000 2.410 153 N HA 0.179 4.925 4.740 0.010 0.000 0.287 153 N C -0.713 175.031 175.510 0.389 0.000 1.044 153 N CA -0.544 52.751 53.050 0.407 0.000 0.881 153 N CB 1.315 39.950 38.487 0.247 0.000 1.405 153 N HN 0.632 nan 8.380 nan 0.000 0.490 154 N N 1.750 120.751 118.700 0.502 0.000 2.275 154 N HA 0.158 4.904 4.740 0.010 0.000 0.236 154 N C 0.422 176.099 175.510 0.279 0.000 1.154 154 N CA -0.448 52.817 53.050 0.358 0.000 0.866 154 N CB 0.037 38.745 38.487 0.368 0.000 1.093 154 N HN 0.482 nan 8.380 nan 0.000 0.515 155 G N 0.388 109.330 108.800 0.235 0.000 2.554 155 G HA2 0.072 4.038 3.960 0.010 0.000 0.238 155 G HA3 0.072 4.038 3.960 0.010 0.000 0.238 155 G C -0.207 174.735 174.900 0.071 0.000 1.259 155 G CA -0.348 44.837 45.100 0.140 0.000 0.843 155 G HN 0.366 nan 8.290 nan 0.000 0.582 156 E N 0.464 120.676 120.200 0.019 0.000 2.437 156 E HA 0.146 4.502 4.350 0.010 0.000 0.263 156 E C -0.027 176.567 176.600 -0.010 0.000 1.030 156 E CA 0.516 56.899 56.400 -0.029 0.000 0.934 156 E CB 0.407 30.078 29.700 -0.048 0.000 0.943 156 E HN 0.308 nan 8.360 nan 0.000 0.444 157 Q N 1.443 121.231 119.800 -0.020 0.000 2.418 157 Q HA 0.279 4.625 4.340 0.010 0.000 0.282 157 Q C -0.157 175.850 176.000 0.011 0.000 1.044 157 Q CA -0.548 55.259 55.803 0.006 0.000 0.813 157 Q CB 1.450 30.203 28.738 0.025 0.000 1.428 157 Q HN 0.497 nan 8.270 nan 0.000 0.402 158 L N 0.985 122.219 121.223 0.018 0.000 2.769 158 L HA 0.130 4.476 4.340 0.010 0.000 0.240 158 L C 0.108 177.051 176.870 0.122 0.000 1.163 158 L CA 0.357 55.210 54.840 0.021 0.000 0.962 158 L CB 0.167 42.199 42.059 -0.046 0.000 1.258 158 L HN 0.578 nan 8.230 nan 0.000 0.513 159 D N -0.514 119.978 120.400 0.153 0.000 2.540 159 D HA 0.202 4.848 4.640 0.010 0.000 0.229 159 D C 0.201 176.566 176.300 0.108 0.000 1.250 159 D CA 0.003 54.124 54.000 0.201 0.000 0.817 159 D CB 0.355 41.202 40.800 0.078 0.000 1.060 159 D HN 0.108 nan 8.370 nan 0.000 0.508 160 I N 2.038 122.685 120.570 0.127 0.000 2.503 160 I HA 0.229 4.405 4.170 0.010 0.000 0.282 160 I C 0.196 176.383 176.117 0.117 0.000 1.059 160 I CA -1.074 60.241 61.300 0.024 0.000 1.081 160 I CB 1.580 39.595 38.000 0.025 0.000 1.210 160 I HN -0.047 nan 8.210 nan 0.000 0.450 161 M N 6.497 126.127 119.600 0.049 0.000 2.252 161 M HA 0.357 4.843 4.480 0.010 0.000 0.329 161 M C -2.472 174.007 176.300 0.297 0.000 1.101 161 M CA -0.836 54.611 55.300 0.245 0.000 1.117 161 M CB -0.213 32.472 32.600 0.142 0.000 1.563 161 M HN 0.136 nan 8.290 nan 0.000 0.445 162 P HA 0.196 nan 4.420 nan 0.000 0.285 162 P C -0.129 177.263 177.300 0.153 0.000 1.259 162 P CA -0.358 62.982 63.100 0.399 0.000 0.794 162 P CB 1.191 33.270 31.700 0.630 0.000 0.940 163 L N 2.175 123.521 121.223 0.205 0.000 2.307 163 L HA 0.088 4.435 4.340 0.010 0.000 0.211 163 L C 1.267 178.112 176.870 -0.041 0.000 1.099 163 L CA 0.756 55.627 54.840 0.053 0.000 0.816 163 L CB -0.129 41.998 42.059 0.113 0.000 0.952 163 L HN 0.289 nan 8.230 nan 0.000 0.455 164 V N -3.710 116.261 119.914 0.096 0.000 3.165 164 V HA 1.014 5.140 4.120 0.010 0.000 0.309 164 V C -0.439 175.837 176.094 0.303 0.000 1.267 164 V CA -0.306 62.092 62.300 0.163 0.000 1.067 164 V CB 1.409 33.307 31.823 0.126 0.000 1.082 164 V HN 0.077 nan 8.190 nan 0.000 0.451 165 G N 0.079 109.013 108.800 0.223 0.000 2.358 165 G HA2 0.364 4.330 3.960 0.010 0.000 0.303 165 G HA3 0.364 4.330 3.960 0.010 0.000 0.303 165 G C -1.669 173.284 174.900 0.088 0.000 1.537 165 G CA -0.073 45.111 45.100 0.139 0.000 0.928 165 G HN 1.131 nan 8.290 nan 0.000 0.656 166 D N 0.169 120.853 120.400 0.472 0.000 2.994 166 D HA 0.526 5.172 4.640 0.010 0.000 0.240 166 D C 0.101 176.857 176.300 0.761 0.000 1.195 166 D CA 0.042 54.454 54.000 0.686 0.000 0.957 166 D CB -0.855 40.421 40.800 0.794 0.000 1.105 166 D HN 0.554 nan 8.370 nan 0.000 0.477 167 F N -1.951 118.150 119.950 0.253 0.000 2.817 167 F HA 0.497 5.032 4.527 0.012 0.000 0.317 167 F C -0.883 174.655 175.800 -0.436 0.000 1.168 167 F CA -1.499 56.489 58.000 -0.021 0.000 0.911 167 F CB 0.631 39.584 39.000 -0.080 0.000 1.337 167 F HN -0.352 nan 8.300 nan 0.000 0.464 168 N N 0.535 118.985 118.700 -0.416 0.000 2.473 168 N HA 0.362 5.108 4.740 0.010 0.000 0.291 168 N C -1.387 173.647 175.510 -0.793 0.000 1.083 168 N CA -0.449 52.089 53.050 -0.852 0.000 0.951 168 N CB 1.109 38.771 38.487 -1.375 0.000 1.164 168 N HN 0.504 nan 8.380 nan 0.000 0.480 169 F N 1.961 121.862 119.950 -0.083 0.000 2.560 169 F HA 0.265 4.796 4.527 0.006 0.000 0.338 169 F C -0.008 175.800 175.800 0.013 0.000 1.201 169 F CA -0.781 57.268 58.000 0.081 0.000 1.291 169 F CB -0.841 38.264 39.000 0.175 0.000 1.627 169 F HN 0.308 nan 8.300 nan 0.000 0.588 170 Y N 0.548 120.841 120.300 -0.012 0.000 2.632 170 Y HA 0.326 4.881 4.550 0.009 0.000 0.329 170 Y C 1.227 176.933 175.900 -0.322 0.000 1.174 170 Y CA -0.359 57.616 58.100 -0.209 0.000 1.469 170 Y CB 0.242 38.516 38.460 -0.310 0.000 1.242 170 Y HN 0.474 nan 8.280 nan 0.000 0.540 171 G N 0.964 109.519 108.800 -0.408 0.000 2.389 171 G HA2 0.595 4.561 3.960 0.010 0.000 0.317 171 G HA3 0.595 4.561 3.960 0.010 0.000 0.317 171 G C 0.023 174.200 174.900 -1.206 0.000 1.137 171 G CA 0.054 44.689 45.100 -0.775 0.000 0.870 171 G HN 1.058 nan 8.290 nan 0.000 0.496 172 G N -0.341 108.098 108.800 -0.601 0.000 2.331 172 G HA2 0.011 3.977 3.960 0.010 0.000 0.402 172 G HA3 0.011 3.977 3.960 0.010 0.000 0.402 172 G C -0.530 174.446 174.900 0.126 0.000 1.275 172 G CA -0.766 44.258 45.100 -0.126 0.000 1.003 172 G HN 0.891 nan 8.290 nan 0.000 0.500 173 I N 2.087 122.671 120.570 0.024 0.000 2.227 173 I HA 0.211 4.388 4.170 0.010 0.000 0.297 173 I C 1.059 177.129 176.117 -0.078 0.000 1.173 173 I CA -0.260 60.931 61.300 -0.182 0.000 1.356 173 I CB -0.257 37.358 38.000 -0.642 0.000 1.485 173 I HN 0.596 nan 8.210 nan 0.000 0.604 174 Y N 3.885 124.127 120.300 -0.098 0.000 2.457 174 Y HA 0.454 5.011 4.550 0.012 0.000 0.263 174 Y C 0.688 176.558 175.900 -0.049 0.000 1.164 174 Y CA -0.676 57.369 58.100 -0.092 0.000 1.274 174 Y CB 0.050 38.437 38.460 -0.122 0.000 1.097 174 Y HN 0.249 nan 8.280 nan 0.000 0.523 175 R N 0.262 120.469 120.500 -0.489 0.000 2.950 175 R HA 0.240 4.586 4.340 0.010 0.000 0.253 175 R C -0.864 175.293 176.300 -0.237 0.000 1.168 175 R CA -1.118 54.780 56.100 -0.337 0.000 1.014 175 R CB 0.731 30.778 30.300 -0.422 0.000 1.228 175 R HN 0.080 nan 8.270 nan 0.000 0.487 176 D N 0.640 120.927 120.400 -0.189 0.000 2.378 176 D HA 0.164 4.810 4.640 0.010 0.000 0.238 176 D C -0.439 175.648 176.300 -0.354 0.000 1.180 176 D CA 0.253 54.092 54.000 -0.269 0.000 0.895 176 D CB 0.872 41.485 40.800 -0.311 0.000 1.192 176 D HN -0.018 nan 8.370 nan 0.000 0.438 177 V N 1.940 121.581 119.914 -0.454 0.000 2.604 177 V HA 0.279 4.405 4.120 0.010 0.000 0.305 177 V C -0.248 175.508 176.094 -0.563 0.000 1.043 177 V CA -0.728 61.260 62.300 -0.520 0.000 0.888 177 V CB 1.970 33.550 31.823 -0.406 0.000 0.995 177 V HN 0.488 nan 8.190 nan 0.000 0.429 178 H N 3.574 122.472 119.070 -0.288 0.000 2.637 178 H HA 0.512 5.075 4.556 0.011 0.000 0.363 178 H C -1.118 174.107 175.328 -0.172 0.000 1.131 178 H CA -0.756 55.184 56.048 -0.179 0.000 1.183 178 H CB 2.820 32.487 29.762 -0.159 0.000 1.637 178 H HN 0.482 nan 8.280 nan 0.000 0.531 179 L N 3.691 124.919 121.223 0.007 0.000 2.257 179 L HA 0.312 4.658 4.340 0.010 0.000 0.290 179 L C -1.054 175.783 176.870 -0.054 0.000 1.044 179 L CA -0.254 54.560 54.840 -0.043 0.000 0.810 179 L CB 0.176 42.182 42.059 -0.087 0.000 1.193 179 L HN 0.398 nan 8.230 nan 0.000 0.425 180 L N 6.656 127.874 121.223 -0.008 0.000 2.295 180 L HA 0.522 4.868 4.340 0.010 0.000 0.285 180 L C -0.501 176.385 176.870 0.028 0.000 1.035 180 L CA -0.458 54.382 54.840 0.000 0.000 0.806 180 L CB 1.371 43.440 42.059 0.017 0.000 1.214 180 L HN 0.547 nan 8.230 nan 0.000 0.426 181 I N 2.656 123.174 120.570 -0.087 0.000 2.418 181 I HA 0.442 4.618 4.170 0.010 0.000 0.287 181 I C 0.139 176.236 176.117 -0.032 0.000 1.008 181 I CA -0.251 60.962 61.300 -0.145 0.000 1.104 181 I CB 2.118 39.864 38.000 -0.424 0.000 1.264 181 I HN 0.650 nan 8.210 nan 0.000 0.438 182 T N 0.495 115.088 114.554 0.066 0.000 2.864 182 T HA 0.330 4.687 4.350 0.010 0.000 0.289 182 T C -0.547 174.184 174.700 0.051 0.000 1.082 182 T CA -0.876 61.266 62.100 0.069 0.000 1.009 182 T CB 2.194 71.138 68.868 0.127 0.000 1.234 182 T HN 0.498 nan 8.240 nan 0.000 0.526 183 D N 0.046 120.463 120.400 0.029 0.000 2.378 183 D HA 0.014 4.660 4.640 0.010 0.000 0.238 183 D C 1.101 177.426 176.300 0.043 0.000 1.180 183 D CA 0.079 54.092 54.000 0.021 0.000 0.895 183 D CB 0.888 41.688 40.800 -0.000 0.000 1.192 183 D HN 0.667 nan 8.370 nan 0.000 0.438 184 E N 0.196 120.413 120.200 0.028 0.000 2.209 184 E HA -0.110 4.246 4.350 0.010 0.000 0.196 184 E C 0.179 176.803 176.600 0.039 0.000 0.993 184 E CA 0.821 57.240 56.400 0.032 0.000 0.819 184 E CB 0.146 29.854 29.700 0.014 0.000 0.745 184 E HN 0.303 nan 8.360 nan 0.000 0.477 185 T N 1.495 116.063 114.554 0.024 0.000 2.772 185 T HA 0.370 4.727 4.350 0.010 0.000 0.288 185 T C -0.191 174.512 174.700 0.006 0.000 0.994 185 T CA -0.666 61.444 62.100 0.017 0.000 0.951 185 T CB 0.742 69.613 68.868 0.005 0.000 0.933 185 T HN 0.232 nan 8.240 nan 0.000 0.447 186 C N 2.144 121.448 119.300 0.007 0.000 3.291 186 C HA 0.751 5.217 4.460 0.010 0.000 0.316 186 C C -0.449 174.515 174.990 -0.044 0.000 1.391 186 C CA -1.465 57.542 59.018 -0.018 0.000 1.394 186 C CB 0.019 27.760 27.740 0.002 0.000 1.744 186 C HN 0.827 nan 8.230 nan 0.000 0.461 187 I N 2.946 123.471 120.570 -0.075 0.000 2.436 187 I HA 0.200 4.376 4.170 0.010 0.000 0.289 187 I C 1.020 177.058 176.117 -0.131 0.000 1.083 187 I CA 0.828 62.071 61.300 -0.094 0.000 1.372 187 I CB 0.893 38.829 38.000 -0.107 0.000 1.408 187 I HN 0.785 nan 8.210 nan 0.000 0.516 188 S N 8.941 124.573 115.700 -0.114 0.000 2.516 188 S HA 0.193 4.669 4.470 0.010 0.000 0.282 188 S C -1.256 173.211 174.600 -0.221 0.000 1.286 188 S CA -1.119 56.994 58.200 -0.144 0.000 1.066 188 S CB 0.619 63.777 63.200 -0.071 0.000 0.884 188 S HN 0.474 nan 8.310 nan 0.000 0.491 189 P HA 0.151 nan 4.420 nan 0.000 0.257 189 P C 0.494 177.628 177.300 -0.276 0.000 1.281 189 P CA 0.224 63.087 63.100 -0.396 0.000 0.826 189 P CB 0.041 31.331 31.700 -0.682 0.000 1.237 190 L N -0.771 120.342 121.223 -0.182 0.000 2.607 190 L HA 0.227 4.573 4.340 0.010 0.000 0.228 190 L C 0.737 177.579 176.870 -0.048 0.000 1.123 190 L CA 0.074 54.860 54.840 -0.089 0.000 0.890 190 L CB -0.192 41.858 42.059 -0.015 0.000 1.103 190 L HN -0.144 nan 8.230 nan 0.000 0.468 191 D N 0.048 120.446 120.400 -0.003 0.000 2.468 191 D HA 0.060 4.706 4.640 0.010 0.000 0.218 191 D C -0.085 176.346 176.300 0.218 0.000 1.155 191 D CA -0.577 53.489 54.000 0.109 0.000 0.924 191 D CB -0.101 40.808 40.800 0.183 0.000 1.029 191 D HN 0.082 nan 8.370 nan 0.000 0.515 192 Y N 1.820 122.126 120.300 0.011 0.000 3.491 192 Y HA -0.345 4.210 4.550 0.010 0.000 0.215 192 Y C 1.389 177.280 175.900 -0.014 0.000 1.219 192 Y CA 0.680 58.789 58.100 0.015 0.000 1.485 192 Y CB -2.001 36.473 38.460 0.024 0.000 1.450 192 Y HN 0.615 nan 8.280 nan 0.000 0.603 193 A N -1.005 121.831 122.820 0.026 0.000 2.798 193 A HA -0.218 4.109 4.320 0.010 0.000 0.282 193 A C 1.070 178.626 177.584 -0.046 0.000 1.464 193 A CA 1.172 53.183 52.037 -0.043 0.000 0.844 193 A CB -1.803 17.165 19.000 -0.054 0.000 1.006 193 A HN 1.516 nan 8.150 nan 0.000 0.577 194 S N -1.668 114.024 115.700 -0.014 0.000 2.681 194 S HA 0.659 5.136 4.470 0.010 0.000 0.270 194 S C -1.035 173.477 174.600 -0.147 0.000 1.209 194 S CA -0.729 57.436 58.200 -0.058 0.000 0.988 194 S CB 0.834 64.047 63.200 0.021 0.000 1.006 194 S HN 0.102 nan 8.310 nan 0.000 0.558 195 P HA 0.156 nan 4.420 nan 0.000 0.225 195 P C 0.964 178.102 177.300 -0.270 0.000 1.148 195 P CA 1.511 64.479 63.100 -0.220 0.000 0.779 195 P CB -0.434 31.141 31.700 -0.209 0.000 0.780 196 G N -2.343 106.245 108.800 -0.354 0.000 2.157 196 G HA2 -0.173 3.793 3.960 0.010 0.000 0.248 196 G HA3 -0.173 3.793 3.960 0.010 0.000 0.248 196 G C -0.047 174.579 174.900 -0.457 0.000 0.979 196 G CA -0.146 44.753 45.100 -0.335 0.000 0.650 196 G HN 0.339 nan 8.290 nan 0.000 0.529 197 V N 0.281 119.797 119.914 -0.663 0.000 2.686 197 V HA 0.659 4.786 4.120 0.010 0.000 0.306 197 V C -0.948 174.684 176.094 -0.770 0.000 1.065 197 V CA -1.149 60.831 62.300 -0.533 0.000 0.894 197 V CB 1.722 33.385 31.823 -0.266 0.000 1.004 197 V HN 0.256 nan 8.190 nan 0.000 0.424 198 Y N 4.451 124.684 120.300 -0.113 0.000 2.326 198 Y HA 0.599 5.155 4.550 0.010 0.000 0.331 198 Y C -0.028 175.845 175.900 -0.045 0.000 0.962 198 Y CA -0.863 57.133 58.100 -0.174 0.000 1.167 198 Y CB 1.559 39.724 38.460 -0.491 0.000 1.148 198 Y HN 0.442 nan 8.280 nan 0.000 0.463 199 L N 5.030 126.382 121.223 0.215 0.000 2.352 199 L HA 0.358 4.704 4.340 0.010 0.000 0.272 199 L C -0.556 176.479 176.870 0.276 0.000 1.109 199 L CA -0.653 54.287 54.840 0.166 0.000 0.952 199 L CB 0.102 42.217 42.059 0.093 0.000 1.314 199 L HN 0.395 nan 8.230 nan 0.000 0.427 200 V N 3.070 123.121 119.914 0.228 0.000 2.427 200 V HA 0.068 4.194 4.120 0.010 0.000 0.268 200 V C 0.482 176.664 176.094 0.146 0.000 1.046 200 V CA -0.380 62.082 62.300 0.270 0.000 0.970 200 V CB 0.941 32.857 31.823 0.154 0.000 1.001 200 V HN 0.679 nan 8.190 nan 0.000 0.476 201 Q N 4.173 124.046 119.800 0.122 0.000 2.344 201 Q HA 0.199 4.545 4.340 0.010 0.000 0.253 201 Q C 0.533 176.549 176.000 0.027 0.000 1.050 201 Q CA -0.102 55.729 55.803 0.047 0.000 0.912 201 Q CB 1.174 29.917 28.738 0.009 0.000 1.258 201 Q HN 0.726 nan 8.270 nan 0.000 0.443 202 E N 1.079 121.287 120.200 0.013 0.000 2.127 202 E HA 0.049 4.405 4.350 0.010 0.000 0.191 202 E C -0.092 176.490 176.600 -0.029 0.000 0.964 202 E CA 0.565 56.965 56.400 -0.000 0.000 0.832 202 E CB 0.807 30.507 29.700 0.000 0.000 0.790 202 E HN 0.252 nan 8.360 nan 0.000 0.465 203 V N 1.537 121.427 119.914 -0.041 0.000 2.733 203 V HA 0.317 4.443 4.120 0.010 0.000 0.306 203 V C -0.800 175.248 176.094 -0.077 0.000 1.084 203 V CA -0.848 61.408 62.300 -0.074 0.000 0.905 203 V CB 2.331 34.109 31.823 -0.074 0.000 1.010 203 V HN -0.147 nan 8.190 nan 0.000 0.424 204 V N 3.518 123.358 119.914 -0.124 0.000 2.569 204 V HA 0.850 4.976 4.120 0.010 0.000 0.301 204 V C -0.200 175.749 176.094 -0.240 0.000 1.044 204 V CA -0.156 62.090 62.300 -0.090 0.000 0.874 204 V CB 1.962 33.794 31.823 0.016 0.000 1.002 204 V HN 1.098 nan 8.190 nan 0.000 0.424 205 S N 4.545 120.155 115.700 -0.151 0.000 2.671 205 S HA 0.672 5.148 4.470 0.010 0.000 0.277 205 S C -2.683 171.919 174.600 0.003 0.000 1.165 205 S CA -1.360 56.730 58.200 -0.182 0.000 0.822 205 S CB 2.254 65.311 63.200 -0.239 0.000 1.150 205 S HN 0.344 nan 8.310 nan 0.000 0.479 206 P HA 0.007 nan 4.420 nan 0.000 0.225 206 P C 1.108 178.423 177.300 0.025 0.000 1.148 206 P CA 0.944 64.082 63.100 0.062 0.000 0.779 206 P CB 0.086 31.828 31.700 0.071 0.000 0.780 207 Q N -0.031 119.767 119.800 -0.003 0.000 2.163 207 Q HA 0.012 4.359 4.340 0.010 0.000 0.198 207 Q C 0.803 176.797 176.000 -0.010 0.000 0.954 207 Q CA 1.130 56.927 55.803 -0.010 0.000 0.851 207 Q CB 0.066 28.788 28.738 -0.026 0.000 0.928 207 Q HN 0.518 nan 8.270 nan 0.000 0.459 208 E N -1.893 118.297 120.200 -0.017 0.000 2.389 208 E HA 0.656 5.012 4.350 0.010 0.000 0.281 208 E C -1.795 174.792 176.600 -0.021 0.000 1.072 208 E CA -0.688 55.702 56.400 -0.016 0.000 0.845 208 E CB 1.006 30.691 29.700 -0.025 0.000 1.239 208 E HN -0.038 nan 8.360 nan 0.000 0.434 209 A N 1.939 124.751 122.820 -0.014 0.000 2.356 209 A HA 0.683 5.010 4.320 0.010 0.000 0.310 209 A C -1.108 176.461 177.584 -0.026 0.000 1.075 209 A CA -0.882 51.147 52.037 -0.014 0.000 0.746 209 A CB 1.292 20.301 19.000 0.015 0.000 1.221 209 A HN 0.464 nan 8.150 nan 0.000 0.443 210 K N 1.148 121.532 120.400 -0.027 0.000 2.244 210 K HA 0.659 4.985 4.320 0.010 0.000 0.260 210 K C -1.234 175.358 176.600 -0.012 0.000 0.951 210 K CA -0.492 55.781 56.287 -0.024 0.000 0.826 210 K CB 2.341 34.826 32.500 -0.025 0.000 1.108 210 K HN 0.389 nan 8.250 nan 0.000 0.433 211 V N 2.050 121.958 119.914 -0.009 0.000 2.656 211 V HA 0.273 4.399 4.120 0.010 0.000 0.307 211 V C -0.967 175.133 176.094 0.009 0.000 1.051 211 V CA -1.001 61.304 62.300 0.008 0.000 0.893 211 V CB 1.927 33.753 31.823 0.005 0.000 0.999 211 V HN 0.935 nan 8.190 nan 0.000 0.426 212 C N 5.215 124.530 119.300 0.025 0.000 2.223 212 C HA 0.782 5.248 4.460 0.010 0.000 0.324 212 C C 0.846 175.854 174.990 0.030 0.000 1.196 212 C CA -0.602 58.428 59.018 0.020 0.000 1.628 212 C CB -0.579 27.172 27.740 0.017 0.000 2.229 212 C HN 1.032 nan 8.230 nan 0.000 0.486 213 A N 6.803 129.633 122.820 0.017 0.000 2.376 213 A HA 0.433 4.759 4.320 0.010 0.000 0.298 213 A C 0.016 177.610 177.584 0.017 0.000 1.271 213 A CA -0.048 51.998 52.037 0.016 0.000 0.926 213 A CB 0.019 19.017 19.000 -0.002 0.000 1.141 213 A HN 0.907 nan 8.150 nan 0.000 0.539 214 K N 1.904 122.328 120.400 0.040 0.000 2.211 214 K HA 0.541 4.867 4.320 0.010 0.000 0.275 214 K C -1.115 175.515 176.600 0.050 0.000 1.024 214 K CA -0.426 55.897 56.287 0.060 0.000 0.887 214 K CB 1.922 34.479 32.500 0.095 0.000 1.084 214 K HN 0.372 nan 8.250 nan 0.000 0.463 215 V N 3.060 122.987 119.914 0.021 0.000 2.483 215 V HA 0.174 4.300 4.120 0.010 0.000 0.297 215 V C -0.538 175.553 176.094 -0.004 0.000 1.027 215 V CA -1.127 61.158 62.300 -0.025 0.000 0.855 215 V CB 1.635 33.438 31.823 -0.034 0.000 0.995 215 V HN 0.767 nan 8.190 nan 0.000 0.424 216 N N 4.668 123.358 118.700 -0.018 0.000 2.458 216 N HA 0.577 5.323 4.740 0.010 0.000 0.270 216 N C -1.019 174.476 175.510 -0.025 0.000 1.102 216 N CA -0.321 52.728 53.050 -0.001 0.000 0.967 216 N CB 0.919 39.409 38.487 0.005 0.000 1.078 216 N HN 0.526 nan 8.380 nan 0.000 0.471 217 L N 1.107 122.325 121.223 -0.009 0.000 2.346 217 L HA 0.575 4.921 4.340 0.010 0.000 0.274 217 L C -0.188 176.682 176.870 0.001 0.000 1.007 217 L CA -0.718 54.115 54.840 -0.011 0.000 0.818 217 L CB 1.908 43.964 42.059 -0.005 0.000 1.284 217 L HN 0.438 nan 8.230 nan 0.000 0.424 218 S N 2.044 117.747 115.700 0.005 0.000 2.614 218 S HA 0.500 4.976 4.470 0.010 0.000 0.288 218 S C -1.260 173.360 174.600 0.033 0.000 1.137 218 S CA -0.649 57.566 58.200 0.026 0.000 0.992 218 S CB 1.422 64.647 63.200 0.041 0.000 1.026 218 S HN 0.641 nan 8.310 nan 0.000 0.486 219 N N 2.456 121.175 118.700 0.033 0.000 2.354 219 N HA 0.529 5.275 4.740 0.010 0.000 0.287 219 N C 0.288 175.818 175.510 0.033 0.000 1.016 219 N CA -0.645 52.422 53.050 0.030 0.000 0.871 219 N CB 1.076 39.575 38.487 0.020 0.000 1.299 219 N HN 0.490 nan 8.380 nan 0.000 0.482 220 R N 1.413 121.933 120.500 0.033 0.000 2.446 220 R HA 0.410 4.756 4.340 0.010 0.000 0.254 220 R C 0.170 176.479 176.300 0.015 0.000 0.918 220 R CA -0.209 55.907 56.100 0.026 0.000 1.069 220 R CB -0.205 30.112 30.300 0.029 0.000 1.194 220 R HN 0.565 nan 8.270 nan 0.000 0.534 221 A N 1.145 123.974 122.820 0.014 0.000 2.251 221 A HA 0.671 4.997 4.320 0.010 0.000 0.278 221 A C 0.225 177.813 177.584 0.008 0.000 1.206 221 A CA 0.013 52.054 52.037 0.008 0.000 0.822 221 A CB -0.009 18.995 19.000 0.006 0.000 1.187 221 A HN 0.253 nan 8.150 nan 0.000 0.504 222 A N -0.155 122.668 122.820 0.005 0.000 2.492 222 A HA 0.353 4.680 4.320 0.010 0.000 0.236 222 A C -0.062 177.526 177.584 0.007 0.000 1.078 222 A CA 0.052 52.092 52.037 0.005 0.000 0.773 222 A CB -0.549 18.453 19.000 0.004 0.000 1.023 222 A HN 0.797 nan 8.150 nan 0.000 0.504 223 D N -0.066 120.338 120.400 0.007 0.000 2.648 223 D HA 0.394 5.040 4.640 0.010 0.000 0.229 223 D C 0.638 176.943 176.300 0.007 0.000 1.119 223 D CA 2.345 56.350 54.000 0.008 0.000 0.850 223 D CB 0.404 41.209 40.800 0.007 0.000 1.169 223 D HN 0.924 nan 8.370 nan 0.000 0.489 224 G N 0.178 108.983 108.800 0.008 0.000 2.488 224 G HA2 0.578 4.544 3.960 0.010 0.000 0.301 224 G HA3 0.578 4.544 3.960 0.010 0.000 0.301 224 G C -1.016 173.890 174.900 0.010 0.000 1.339 224 G CA -0.417 44.688 45.100 0.009 0.000 0.803 224 G HN 0.517 nan 8.290 nan 0.000 0.482 225 T N -2.431 112.130 114.554 0.011 0.000 2.942 225 T HA 0.942 5.298 4.350 0.010 0.000 0.289 225 T C -0.061 174.649 174.700 0.017 0.000 1.044 225 T CA 0.085 62.193 62.100 0.013 0.000 1.023 225 T CB 1.920 70.795 68.868 0.012 0.000 1.123 225 T HN 2.198 nan 8.240 nan 0.000 0.512 226 A N 0.508 123.340 122.820 0.020 0.000 2.602 226 A HA 0.737 5.063 4.320 0.010 0.000 0.290 226 A C -1.142 176.465 177.584 0.038 0.000 1.114 226 A CA -0.902 51.153 52.037 0.030 0.000 0.683 226 A CB 1.534 20.547 19.000 0.022 0.000 1.281 226 A HN 0.940 nan 8.150 nan 0.000 0.416 227 E N 0.722 120.961 120.200 0.066 0.000 2.133 227 E HA 0.465 4.821 4.350 0.010 0.000 0.274 227 E C -1.655 175.010 176.600 0.109 0.000 0.930 227 E CA -0.621 55.823 56.400 0.074 0.000 0.770 227 E CB 1.175 30.917 29.700 0.070 0.000 1.104 227 E HN 0.561 nan 8.360 nan 0.000 0.403 228 L N 4.689 125.953 121.223 0.068 0.000 2.276 228 L HA 0.281 4.627 4.340 0.010 0.000 0.286 228 L C -0.734 176.180 176.870 0.072 0.000 1.061 228 L CA 0.104 54.983 54.840 0.065 0.000 0.807 228 L CB 1.342 43.417 42.059 0.027 0.000 1.177 228 L HN 0.586 nan 8.230 nan 0.000 0.429 229 Q N 4.063 123.928 119.800 0.109 0.000 2.340 229 Q HA 0.643 4.989 4.340 0.010 0.000 0.268 229 Q C -1.935 174.095 176.000 0.050 0.000 1.031 229 Q CA -0.822 55.025 55.803 0.074 0.000 0.804 229 Q CB 2.052 30.846 28.738 0.093 0.000 1.286 229 Q HN 0.573 nan 8.270 nan 0.000 0.448 230 V N 5.040 124.966 119.914 0.020 0.000 2.409 230 V HA 0.431 4.557 4.120 0.010 0.000 0.291 230 V C -0.932 175.163 176.094 0.002 0.000 1.020 230 V CA -0.769 61.535 62.300 0.007 0.000 0.848 230 V CB 1.394 33.214 31.823 -0.006 0.000 0.990 230 V HN 0.720 nan 8.190 nan 0.000 0.430 231 L N 7.080 128.308 121.223 0.007 0.000 2.343 231 L HA 0.700 5.046 4.340 0.010 0.000 0.278 231 L C -0.599 176.276 176.870 0.007 0.000 0.996 231 L CA -0.031 54.813 54.840 0.008 0.000 0.831 231 L CB 1.785 43.857 42.059 0.021 0.000 1.232 231 L HN 0.425 nan 8.230 nan 0.000 0.413 232 V N 3.861 123.771 119.914 -0.006 0.000 2.427 232 V HA 0.740 4.866 4.120 0.010 0.000 0.286 232 V C 0.319 176.441 176.094 0.047 0.000 1.034 232 V CA -0.107 62.192 62.300 -0.003 0.000 0.893 232 V CB 1.483 33.249 31.823 -0.095 0.000 0.982 232 V HN 0.903 nan 8.190 nan 0.000 0.452 233 T N -0.008 114.619 114.554 0.122 0.000 2.906 233 T HA 0.626 4.982 4.350 0.010 0.000 0.295 233 T C -1.201 173.678 174.700 0.299 0.000 1.075 233 T CA -0.752 61.447 62.100 0.165 0.000 1.005 233 T CB 2.245 71.175 68.868 0.104 0.000 1.136 233 T HN 0.573 nan 8.240 nan 0.000 0.498 234 D N 0.034 120.609 120.400 0.292 0.000 2.440 234 D HA 0.545 5.191 4.640 0.010 0.000 0.252 234 D C 1.147 177.555 176.300 0.180 0.000 1.180 234 D CA 0.934 55.115 54.000 0.301 0.000 0.894 234 D CB 0.428 41.470 40.800 0.403 0.000 1.111 234 D HN 1.111 nan 8.370 nan 0.000 0.544 235 G N 3.466 112.342 108.800 0.127 0.000 2.596 235 G HA2 -0.380 3.586 3.960 0.010 0.000 0.304 235 G HA3 -0.380 3.586 3.960 0.010 0.000 0.304 235 G C 1.108 176.053 174.900 0.075 0.000 1.189 235 G CA 1.092 46.244 45.100 0.086 0.000 0.986 235 G HN 0.953 nan 8.290 nan 0.000 0.548 236 T N -0.951 113.642 114.554 0.064 0.000 3.081 236 T HA 0.335 4.692 4.350 0.010 0.000 0.250 236 T C 1.005 175.739 174.700 0.057 0.000 1.100 236 T CA 1.502 63.633 62.100 0.053 0.000 1.038 236 T CB 0.193 69.085 68.868 0.039 0.000 0.962 236 T HN 0.623 nan 8.240 nan 0.000 0.516 237 K N 1.985 122.429 120.400 0.074 0.000 2.297 237 K HA 0.394 4.720 4.320 0.010 0.000 0.286 237 K C -0.786 175.865 176.600 0.085 0.000 1.053 237 K CA -0.483 55.849 56.287 0.074 0.000 0.940 237 K CB 0.886 33.436 32.500 0.084 0.000 1.019 237 K HN 0.027 nan 8.250 nan 0.000 0.475 238 V N 6.732 126.681 119.914 0.060 0.000 2.488 238 V HA 0.019 4.145 4.120 0.010 0.000 0.277 238 V C 1.154 177.276 176.094 0.047 0.000 1.046 238 V CA -0.222 62.107 62.300 0.049 0.000 0.986 238 V CB 1.045 32.884 31.823 0.027 0.000 0.989 238 V HN 0.782 nan 8.190 nan 0.000 0.475 239 I N 2.640 123.233 120.570 0.039 0.000 3.616 239 I HA 0.213 4.389 4.170 0.010 0.000 0.296 239 I C 0.657 176.749 176.117 -0.042 0.000 1.226 239 I CA 0.920 62.222 61.300 0.004 0.000 1.394 239 I CB 0.363 38.343 38.000 -0.033 0.000 1.171 239 I HN 0.642 nan 8.210 nan 0.000 0.442 240 C N 1.303 120.577 119.300 -0.043 0.000 2.931 240 C HA 0.508 4.974 4.460 0.010 0.000 0.370 240 C C -0.739 174.234 174.990 -0.029 0.000 1.071 240 C CA -0.752 58.237 59.018 -0.048 0.000 1.266 240 C CB 1.311 29.002 27.740 -0.081 0.000 1.691 240 C HN 0.376 nan 8.230 nan 0.000 0.511 241 K N 4.259 124.645 120.400 -0.024 0.000 2.613 241 K HA 0.594 4.920 4.320 0.010 0.000 0.248 241 K C -0.979 175.609 176.600 -0.021 0.000 0.959 241 K CA -0.165 56.111 56.287 -0.019 0.000 0.855 241 K CB 0.948 33.438 32.500 -0.017 0.000 1.143 241 K HN 0.734 nan 8.250 nan 0.000 0.437 242 E N 1.646 121.835 120.200 -0.018 0.000 2.288 242 E HA 0.425 4.781 4.350 0.010 0.000 0.268 242 E C -1.149 175.444 176.600 -0.011 0.000 0.885 242 E CA -0.827 55.563 56.400 -0.016 0.000 0.767 242 E CB 2.328 32.019 29.700 -0.016 0.000 1.220 242 E HN 0.494 nan 8.360 nan 0.000 0.427 243 S N 1.326 117.019 115.700 -0.012 0.000 2.549 243 S HA 0.678 5.154 4.470 0.010 0.000 0.280 243 S C -0.844 173.754 174.600 -0.003 0.000 1.109 243 S CA -0.824 57.372 58.200 -0.007 0.000 0.905 243 S CB 1.707 64.894 63.200 -0.021 0.000 1.081 243 S HN 0.216 nan 8.310 nan 0.000 0.477 244 R N 1.982 122.485 120.500 0.005 0.000 2.651 244 R HA 0.439 4.786 4.340 0.010 0.000 0.278 244 R C -1.239 175.068 176.300 0.011 0.000 1.010 244 R CA -0.783 55.320 56.100 0.005 0.000 0.896 244 R CB 1.221 31.524 30.300 0.004 0.000 1.211 244 R HN 0.613 nan 8.270 nan 0.000 0.456 245 N N 1.223 119.928 118.700 0.008 0.000 2.529 245 N HA 0.282 5.029 4.740 0.010 0.000 0.278 245 N C -0.087 175.429 175.510 0.010 0.000 1.146 245 N CA -0.147 52.910 53.050 0.011 0.000 0.980 245 N CB 1.610 40.102 38.487 0.008 0.000 1.124 245 N HN 0.352 nan 8.380 nan 0.000 0.458 246 V N -1.619 118.303 119.914 0.013 0.000 2.789 246 V HA 0.577 4.703 4.120 0.010 0.000 0.311 246 V C 0.038 176.138 176.094 0.010 0.000 1.073 246 V CA -0.946 61.360 62.300 0.010 0.000 0.921 246 V CB 1.854 33.683 31.823 0.010 0.000 1.009 246 V HN 0.536 nan 8.190 nan 0.000 0.426 247 S N 3.646 119.351 115.700 0.008 0.000 2.457 247 S HA 0.783 5.259 4.470 0.010 0.000 0.289 247 S C -0.703 173.902 174.600 0.009 0.000 1.163 247 S CA -0.558 57.647 58.200 0.008 0.000 1.078 247 S CB 0.220 63.425 63.200 0.007 0.000 0.987 247 S HN 0.707 nan 8.310 nan 0.000 0.482 248 L N 5.894 127.122 121.223 0.009 0.000 2.345 248 L HA 0.479 4.825 4.340 0.010 0.000 0.274 248 L C 0.065 176.942 176.870 0.011 0.000 0.999 248 L CA -0.887 53.959 54.840 0.010 0.000 0.849 248 L CB 1.428 43.494 42.059 0.011 0.000 1.220 248 L HN 0.463 nan 8.230 nan 0.000 0.422 249 K N 2.359 122.766 120.400 0.011 0.000 2.380 249 K HA 0.058 4.384 4.320 0.010 0.000 0.267 249 K C -0.024 176.584 176.600 0.013 0.000 0.990 249 K CA -0.238 56.056 56.287 0.011 0.000 0.946 249 K CB 0.853 33.360 32.500 0.011 0.000 0.937 249 K HN 0.557 nan 8.250 nan 0.000 0.491 250 Q N -0.047 119.760 119.800 0.012 0.000 2.286 250 Q HA 0.042 4.388 4.340 0.010 0.000 0.290 250 Q C 0.705 176.715 176.000 0.016 0.000 1.049 250 Q CA 1.374 57.185 55.803 0.013 0.000 0.923 250 Q CB 0.091 28.836 28.738 0.011 0.000 1.183 250 Q HN 0.828 nan 8.270 nan 0.000 0.383 251 G N 2.117 110.929 108.800 0.020 0.000 2.162 251 G HA2 -0.319 3.647 3.960 0.010 0.000 0.260 251 G HA3 -0.319 3.647 3.960 0.010 0.000 0.260 251 G C 0.145 175.060 174.900 0.025 0.000 0.976 251 G CA 0.042 45.156 45.100 0.024 0.000 0.655 251 G HN 1.005 nan 8.290 nan 0.000 0.533 252 A N 0.187 123.020 122.820 0.022 0.000 2.477 252 A HA 0.510 4.837 4.320 0.010 0.000 0.246 252 A C 0.104 177.703 177.584 0.024 0.000 1.078 252 A CA 0.512 52.562 52.037 0.020 0.000 0.770 252 A CB 0.327 19.337 19.000 0.017 0.000 1.011 252 A HN 0.310 nan 8.150 nan 0.000 0.494 253 D N 2.348 122.762 120.400 0.023 0.000 2.421 253 D HA 0.462 5.108 4.640 0.010 0.000 0.254 253 D C -0.609 175.703 176.300 0.020 0.000 1.238 253 D CA 0.183 54.198 54.000 0.024 0.000 0.919 253 D CB 1.257 42.075 40.800 0.029 0.000 1.152 253 D HN 0.641 nan 8.370 nan 0.000 0.552 254 I N -1.398 119.183 120.570 0.017 0.000 2.934 254 I HA 0.615 4.791 4.170 0.010 0.000 0.306 254 I C -1.569 174.559 176.117 0.017 0.000 1.110 254 I CA -1.254 60.056 61.300 0.016 0.000 1.019 254 I CB 2.410 40.417 38.000 0.012 0.000 1.227 254 I HN 0.029 nan 8.210 nan 0.000 0.434 255 L N 3.353 124.586 121.223 0.017 0.000 2.287 255 L HA 0.563 4.909 4.340 0.010 0.000 0.287 255 L C -0.560 176.318 176.870 0.013 0.000 1.022 255 L CA 0.211 55.063 54.840 0.021 0.000 0.814 255 L CB 1.057 43.129 42.059 0.021 0.000 1.217 255 L HN 0.566 nan 8.230 nan 0.000 0.420 256 E N 4.216 124.424 120.200 0.012 0.000 2.202 256 E HA 0.445 4.801 4.350 0.010 0.000 0.272 256 E C -1.215 175.390 176.600 0.008 0.000 0.951 256 E CA -0.515 55.889 56.400 0.007 0.000 0.813 256 E CB 1.920 31.622 29.700 0.004 0.000 1.151 256 E HN 0.578 nan 8.360 nan 0.000 0.398 257 Q N 1.791 121.594 119.800 0.004 0.000 2.321 257 Q HA 0.510 4.856 4.340 0.010 0.000 0.270 257 Q C -1.004 174.997 176.000 0.001 0.000 1.032 257 Q CA -0.910 54.895 55.803 0.004 0.000 0.784 257 Q CB 1.955 30.694 28.738 0.001 0.000 1.264 257 Q HN 0.146 nan 8.270 nan 0.000 0.448 258 L N 4.074 125.297 121.223 0.000 0.000 2.356 258 L HA 0.524 4.870 4.340 0.010 0.000 0.277 258 L C -2.359 174.508 176.870 -0.005 0.000 0.996 258 L CA -1.772 53.066 54.840 -0.003 0.000 0.822 258 L CB 1.573 43.629 42.059 -0.004 0.000 1.256 258 L HN 0.431 nan 8.230 nan 0.000 0.413 259 P HA 0.340 nan 4.420 nan 0.000 0.279 259 P C -1.227 176.063 177.300 -0.017 0.000 1.239 259 P CA -0.309 62.784 63.100 -0.010 0.000 0.789 259 P CB 1.099 32.792 31.700 -0.012 0.000 0.933 260 L N 2.880 124.091 121.223 -0.021 0.000 2.362 260 L HA 0.591 4.937 4.340 0.010 0.000 0.271 260 L C -0.317 176.530 176.870 -0.038 0.000 1.002 260 L CA -1.163 53.656 54.840 -0.034 0.000 0.818 260 L CB 1.989 44.022 42.059 -0.043 0.000 1.298 260 L HN 0.229 nan 8.230 nan 0.000 0.420 261 L N 4.050 125.246 121.223 -0.045 0.000 2.381 261 L HA 0.639 4.985 4.340 0.010 0.000 0.274 261 L C -1.064 175.770 176.870 -0.060 0.000 0.988 261 L CA -0.091 54.722 54.840 -0.045 0.000 0.824 261 L CB 1.704 43.743 42.059 -0.034 0.000 1.263 261 L HN 0.408 nan 8.230 nan 0.000 0.410 262 I N 4.422 124.953 120.570 -0.064 0.000 2.410 262 I HA 0.379 4.555 4.170 0.010 0.000 0.286 262 I C -0.429 175.668 176.117 -0.033 0.000 1.009 262 I CA -0.564 60.690 61.300 -0.078 0.000 1.111 262 I CB 1.877 39.790 38.000 -0.145 0.000 1.262 262 I HN 0.602 nan 8.210 nan 0.000 0.443 263 Q N 5.531 125.319 119.800 -0.021 0.000 2.261 263 Q HA 0.279 4.625 4.340 0.010 0.000 0.252 263 Q C -0.426 175.583 176.000 0.015 0.000 0.915 263 Q CA -0.679 55.121 55.803 -0.005 0.000 0.915 263 Q CB 0.862 29.595 28.738 -0.008 0.000 1.204 263 Q HN 0.216 nan 8.270 nan 0.000 0.421 264 K N 0.967 121.378 120.400 0.018 0.000 3.451 264 K HA -0.141 4.185 4.320 0.010 0.000 0.273 264 K C -2.537 174.101 176.600 0.064 0.000 0.944 264 K CA 0.188 56.493 56.287 0.030 0.000 0.734 264 K CB -1.785 30.725 32.500 0.018 0.000 1.437 264 K HN 0.577 nan 8.250 nan 0.000 0.454 265 P HA 0.071 nan 4.420 nan 0.000 0.272 265 P C -0.063 177.341 177.300 0.173 0.000 1.223 265 P CA -0.231 62.988 63.100 0.198 0.000 0.784 265 P CB 0.685 32.509 31.700 0.205 0.000 0.923 266 R N 2.569 123.185 120.500 0.193 0.000 2.216 266 R HA 0.345 4.691 4.340 0.010 0.000 0.332 266 R C -0.219 176.190 176.300 0.182 0.000 1.056 266 R CA -0.437 55.647 56.100 -0.028 0.000 0.901 266 R CB -0.207 29.753 30.300 -0.567 0.000 1.039 266 R HN 0.458 nan 8.270 nan 0.000 0.456 267 L N 4.387 125.707 121.223 0.163 0.000 2.357 267 L HA 0.303 4.649 4.340 0.010 0.000 0.273 267 L C -0.092 176.946 176.870 0.280 0.000 1.080 267 L CA -0.870 54.118 54.840 0.247 0.000 0.803 267 L CB 0.839 43.011 42.059 0.189 0.000 1.174 267 L HN 0.670 nan 8.230 nan 0.000 0.443 268 W N 4.284 125.664 121.300 0.134 0.000 2.446 268 W HA 0.061 4.727 4.660 0.010 0.000 0.316 268 W C 0.561 177.112 176.519 0.053 0.000 1.376 268 W CA 0.055 57.455 57.345 0.091 0.000 1.300 268 W CB 0.261 29.759 29.460 0.062 0.000 1.351 268 W HN 0.494 nan 8.180 nan 0.000 0.530 269 N N 5.722 124.227 118.700 -0.325 0.000 2.553 269 N HA 0.265 5.011 4.740 0.010 0.000 0.298 269 N C 0.575 175.755 175.510 -0.551 0.000 1.596 269 N CA 0.530 53.405 53.050 -0.291 0.000 0.910 269 N CB -0.171 38.223 38.487 -0.156 0.000 1.336 269 N HN 0.832 nan 8.380 nan 0.000 0.497 270 G N 0.576 108.659 108.800 -1.195 0.000 2.569 270 G HA2 -0.347 3.620 3.960 0.010 0.000 0.259 270 G HA3 -0.347 3.620 3.960 0.010 0.000 0.259 270 G C 0.912 175.432 174.900 -0.633 0.000 1.263 270 G CA 0.007 44.545 45.100 -0.938 0.000 0.928 270 G HN 0.395 nan 8.290 nan 0.000 0.572 271 C N 0.225 119.317 119.300 -0.346 0.000 2.432 271 C HA 0.075 4.541 4.460 0.010 0.000 0.280 271 C C 2.589 177.465 174.990 -0.190 0.000 1.353 271 C CA 1.460 60.348 59.018 -0.218 0.000 1.766 271 C CB -1.013 26.643 27.740 -0.139 0.000 1.924 271 C HN 0.723 nan 8.230 nan 0.000 0.509 272 E N 1.025 121.103 120.200 -0.203 0.000 2.085 272 E HA -0.191 4.166 4.350 0.010 0.000 0.194 272 E C -0.104 176.406 176.600 -0.150 0.000 0.994 272 E CA 1.607 57.914 56.400 -0.155 0.000 0.801 272 E CB -0.042 29.570 29.700 -0.146 0.000 0.743 272 E HN 0.597 nan 8.360 nan 0.000 0.453 273 D N -1.011 119.263 120.400 -0.209 0.000 2.634 273 D HA 0.116 4.762 4.640 0.010 0.000 0.236 273 D C -2.635 173.516 176.300 -0.249 0.000 1.323 273 D CA -1.328 52.577 54.000 -0.159 0.000 0.884 273 D CB 1.184 41.925 40.800 -0.100 0.000 1.496 273 D HN -0.075 nan 8.370 nan 0.000 0.525 274 P HA 0.143 nan 4.420 nan 0.000 0.228 274 P C -0.246 177.022 177.300 -0.052 0.000 1.748 274 P CA -0.391 62.425 63.100 -0.474 0.000 0.909 274 P CB -1.003 30.534 31.700 -0.272 0.000 1.882 275 F N 1.905 121.800 119.950 -0.093 0.000 2.443 275 F HA 0.379 4.912 4.527 0.011 0.000 0.353 275 F C 0.124 175.982 175.800 0.096 0.000 1.101 275 F CA -0.048 57.939 58.000 -0.022 0.000 1.226 275 F CB 0.594 39.527 39.000 -0.111 0.000 1.140 275 F HN -0.045 nan 8.300 nan 0.000 0.557 276 M N 5.896 124.858 119.600 -1.062 0.000 2.457 276 M HA 0.311 4.797 4.480 0.010 0.000 0.300 276 M C -1.385 174.252 176.300 -1.104 0.000 1.141 276 M CA -0.683 54.193 55.300 -0.706 0.000 0.901 276 M CB 2.120 34.564 32.600 -0.259 0.000 1.687 276 M HN 0.458 nan 8.290 nan 0.000 0.449 277 Y N 0.686 120.744 120.300 -0.404 0.000 2.300 277 Y HA 0.351 4.907 4.550 0.010 0.000 0.328 277 Y C 0.307 176.131 175.900 -0.126 0.000 1.270 277 Y CA -0.111 57.891 58.100 -0.164 0.000 1.352 277 Y CB 0.663 39.140 38.460 0.028 0.000 1.286 277 Y HN 0.491 nan 8.280 nan 0.000 0.536 278 Q N 0.969 120.830 119.800 0.102 0.000 2.241 278 Q HA 0.593 4.939 4.340 0.010 0.000 0.254 278 Q C -1.836 174.200 176.000 0.060 0.000 0.917 278 Q CA -0.568 55.263 55.803 0.047 0.000 0.919 278 Q CB 1.281 30.036 28.738 0.028 0.000 1.237 278 Q HN 0.503 nan 8.270 nan 0.000 0.434 279 V N 3.355 123.283 119.914 0.024 0.000 2.409 279 V HA 0.514 4.641 4.120 0.010 0.000 0.291 279 V C -0.770 175.322 176.094 -0.004 0.000 1.020 279 V CA -0.767 61.539 62.300 0.010 0.000 0.848 279 V CB 1.762 33.583 31.823 -0.003 0.000 0.990 279 V HN 0.851 nan 8.190 nan 0.000 0.430 280 S N 5.805 121.507 115.700 0.003 0.000 2.433 280 S HA 0.719 5.195 4.470 0.010 0.000 0.310 280 S C -0.468 174.132 174.600 0.000 0.000 1.097 280 S CA -0.367 57.833 58.200 -0.000 0.000 1.103 280 S CB 1.019 64.229 63.200 0.015 0.000 0.992 280 S HN 0.503 nan 8.310 nan 0.000 0.469 281 I N 3.233 123.792 120.570 -0.019 0.000 2.339 281 I HA 0.482 4.658 4.170 0.010 0.000 0.290 281 I C 0.282 176.383 176.117 -0.027 0.000 0.994 281 I CA 0.027 61.315 61.300 -0.020 0.000 1.191 281 I CB 1.532 39.503 38.000 -0.048 0.000 1.343 281 I HN 0.667 nan 8.210 nan 0.000 0.458 282 S N 6.125 121.825 115.700 -0.000 0.000 2.588 282 S HA 0.833 5.309 4.470 0.010 0.000 0.275 282 S C -1.015 173.532 174.600 -0.087 0.000 1.130 282 S CA -0.953 57.203 58.200 -0.073 0.000 0.855 282 S CB 1.480 64.641 63.200 -0.064 0.000 1.116 282 S HN 0.425 nan 8.310 nan 0.000 0.472 283 L N 2.515 123.597 121.223 -0.236 0.000 2.329 283 L HA 0.608 4.954 4.340 0.010 0.000 0.279 283 L C -0.512 176.141 176.870 -0.361 0.000 1.014 283 L CA -0.608 54.136 54.840 -0.159 0.000 0.814 283 L CB 1.504 43.505 42.059 -0.097 0.000 1.257 283 L HN 0.751 nan 8.230 nan 0.000 0.424 284 H N 2.476 121.542 119.070 -0.006 0.000 2.690 284 H HA 0.509 5.071 4.556 0.010 0.000 0.368 284 H C -1.104 174.223 175.328 -0.002 0.000 1.150 284 H CA -1.027 55.019 56.048 -0.004 0.000 1.174 284 H CB 2.838 32.598 29.762 -0.004 0.000 1.684 284 H HN 0.186 nan 8.280 nan 0.000 0.538 285 K N 1.880 122.344 120.400 0.106 0.000 2.553 285 K HA 0.153 4.479 4.320 0.010 0.000 0.250 285 K C -1.012 175.621 176.600 0.055 0.000 0.953 285 K CA -0.500 55.825 56.287 0.062 0.000 0.800 285 K CB 0.667 33.186 32.500 0.031 0.000 1.243 285 K HN 0.603 nan 8.250 nan 0.000 0.435 286 D N 3.831 124.257 120.400 0.043 0.000 2.686 286 D HA -0.197 4.449 4.640 0.010 0.000 0.235 286 D C 0.582 176.904 176.300 0.036 0.000 1.160 286 D CA 2.101 56.120 54.000 0.031 0.000 0.645 286 D CB -1.011 39.802 40.800 0.022 0.000 1.039 286 D HN 1.077 nan 8.370 nan 0.000 0.423 287 G N -0.515 108.313 108.800 0.046 0.000 2.168 287 G HA2 -0.359 3.608 3.960 0.010 0.000 0.263 287 G HA3 -0.359 3.608 3.960 0.010 0.000 0.263 287 G C 0.252 175.196 174.900 0.073 0.000 0.977 287 G CA 0.782 45.909 45.100 0.046 0.000 0.659 287 G HN 0.483 nan 8.290 nan 0.000 0.533 288 K N 0.180 120.632 120.400 0.088 0.000 2.270 288 K HA 0.411 4.737 4.320 0.010 0.000 0.255 288 K C 0.134 176.794 176.600 0.100 0.000 0.936 288 K CA -0.700 55.637 56.287 0.083 0.000 0.809 288 K CB 1.894 34.418 32.500 0.040 0.000 1.131 288 K HN 0.298 nan 8.250 nan 0.000 0.427 289 Q N 3.300 123.146 119.800 0.076 0.000 2.313 289 Q HA 0.097 4.444 4.340 0.010 0.000 0.266 289 Q C 0.558 176.477 176.000 -0.135 0.000 0.989 289 Q CA 0.079 55.787 55.803 -0.158 0.000 0.890 289 Q CB 0.551 29.210 28.738 -0.132 0.000 1.200 289 Q HN 0.782 nan 8.270 nan 0.000 0.396 290 I N -0.696 119.760 120.570 -0.189 0.000 4.139 290 I HA 0.512 4.689 4.170 0.010 0.000 0.320 290 I C -0.241 175.815 176.117 -0.101 0.000 1.290 290 I CA -0.204 61.035 61.300 -0.102 0.000 1.253 290 I CB 0.827 38.789 38.000 -0.064 0.000 1.122 290 I HN 0.430 nan 8.210 nan 0.000 0.421 291 D N -0.076 120.235 120.400 -0.149 0.000 2.623 291 D HA 0.597 5.243 4.640 0.010 0.000 0.241 291 D C -1.469 174.747 176.300 -0.139 0.000 1.241 291 D CA -0.139 53.792 54.000 -0.115 0.000 0.788 291 D CB 2.497 43.245 40.800 -0.087 0.000 1.413 291 D HN 0.054 nan 8.370 nan 0.000 0.429 292 S N 0.575 116.212 115.700 -0.105 0.000 2.535 292 S HA 0.710 5.186 4.470 0.010 0.000 0.272 292 S C -1.692 172.857 174.600 -0.085 0.000 1.149 292 S CA -0.359 57.786 58.200 -0.092 0.000 0.888 292 S CB 0.866 64.020 63.200 -0.075 0.000 1.110 292 S HN 0.868 nan 8.310 nan 0.000 0.463 293 V N 1.117 120.983 119.914 -0.081 0.000 3.007 293 V HA 0.995 5.121 4.120 0.010 0.000 0.311 293 V C -0.431 175.621 176.094 -0.070 0.000 1.120 293 V CA -0.417 61.830 62.300 -0.088 0.000 0.980 293 V CB 1.468 33.222 31.823 -0.116 0.000 1.033 293 V HN 1.054 nan 8.190 nan 0.000 0.429 294 T N 0.800 115.315 114.554 -0.066 0.000 2.887 294 T HA 0.830 5.187 4.350 0.010 0.000 0.288 294 T C -0.862 173.800 174.700 -0.062 0.000 1.021 294 T CA -0.610 61.459 62.100 -0.051 0.000 1.000 294 T CB 2.117 70.966 68.868 -0.032 0.000 1.034 294 T HN 0.911 nan 8.240 nan 0.000 0.467 295 Q N 1.234 120.999 119.800 -0.057 0.000 2.416 295 Q HA 0.529 4.875 4.340 0.010 0.000 0.281 295 Q C -2.890 173.080 176.000 -0.051 0.000 1.067 295 Q CA -2.050 53.710 55.803 -0.071 0.000 0.809 295 Q CB 2.794 31.476 28.738 -0.093 0.000 1.418 295 Q HN 0.555 nan 8.270 nan 0.000 0.411 296 P HA 0.308 nan 4.420 nan 0.000 0.277 296 P C -0.867 176.413 177.300 -0.033 0.000 1.240 296 P CA -0.603 62.467 63.100 -0.050 0.000 0.798 296 P CB 0.891 32.551 31.700 -0.067 0.000 0.979 297 L N 1.902 123.133 121.223 0.014 0.000 2.388 297 L HA 0.635 4.981 4.340 0.010 0.000 0.267 297 L C -0.286 176.643 176.870 0.098 0.000 0.995 297 L CA -0.172 54.705 54.840 0.061 0.000 0.864 297 L CB 0.811 42.937 42.059 0.112 0.000 1.216 297 L HN 0.495 nan 8.230 nan 0.000 0.430 298 G N 6.023 114.829 108.800 0.009 0.000 2.522 298 G HA2 0.524 4.490 3.960 0.010 0.000 0.318 298 G HA3 0.524 4.490 3.960 0.010 0.000 0.318 298 G C -0.859 174.087 174.900 0.077 0.000 1.192 298 G CA -0.473 44.650 45.100 0.038 0.000 0.988 298 G HN 0.520 nan 8.290 nan 0.000 0.480 299 L N 3.807 125.167 121.223 0.228 0.000 2.305 299 L HA 0.694 5.040 4.340 0.010 0.000 0.281 299 L C 0.591 177.591 176.870 0.217 0.000 1.085 299 L CA -0.713 54.242 54.840 0.192 0.000 0.813 299 L CB 0.800 43.003 42.059 0.240 0.000 1.157 299 L HN 0.623 nan 8.230 nan 0.000 0.436 300 R N 3.257 123.834 120.500 0.128 0.000 2.728 300 R HA 0.455 4.801 4.340 0.010 0.000 0.274 300 R C -1.932 174.345 176.300 -0.039 0.000 1.030 300 R CA -0.929 55.243 56.100 0.121 0.000 0.876 300 R CB 1.445 31.883 30.300 0.231 0.000 1.259 300 R HN 0.524 nan 8.270 nan 0.000 0.468 301 Y N -0.847 119.303 120.300 -0.250 0.000 2.609 301 Y HA 0.858 5.414 4.550 0.010 0.000 0.342 301 Y C -1.543 174.109 175.900 -0.414 0.000 1.058 301 Y CA -1.226 56.561 58.100 -0.521 0.000 1.055 301 Y CB 1.622 39.918 38.460 -0.274 0.000 1.292 301 Y HN 0.738 nan 8.280 nan 0.000 0.476 302 Y N -1.046 119.247 120.300 -0.013 0.000 2.656 302 Y HA 0.751 5.307 4.550 0.011 0.000 0.334 302 Y C -1.144 174.766 175.900 0.016 0.000 1.179 302 Y CA -1.522 56.463 58.100 -0.193 0.000 1.050 302 Y CB 1.137 39.455 38.460 -0.237 0.000 1.308 302 Y HN 1.074 nan 8.280 nan 0.000 0.456 303 H N -1.701 117.401 119.070 0.054 0.000 3.014 303 H HA 0.703 5.265 4.556 0.010 0.000 0.337 303 H C -2.045 173.373 175.328 0.149 0.000 1.320 303 H CA -0.904 55.215 56.048 0.119 0.000 1.128 303 H CB 1.804 31.604 29.762 0.064 0.000 1.862 303 H HN 0.719 nan 8.280 nan 0.000 0.536 304 T N 2.169 116.808 114.554 0.141 0.000 2.792 304 T HA 0.174 4.530 4.350 0.010 0.000 0.280 304 T C -0.589 174.249 174.700 0.230 0.000 0.990 304 T CA -0.688 61.506 62.100 0.157 0.000 0.960 304 T CB 1.395 70.290 68.868 0.045 0.000 0.939 304 T HN 0.528 nan 8.240 nan 0.000 0.439 305 D N 3.319 123.883 120.400 0.273 0.000 2.193 305 D HA 0.258 4.905 4.640 0.010 0.000 0.244 305 D C -1.765 174.718 176.300 0.305 0.000 1.064 305 D CA -2.413 51.766 54.000 0.297 0.000 0.845 305 D CB 2.354 43.338 40.800 0.305 0.000 1.148 305 D HN 0.074 nan 8.370 nan 0.000 0.464 306 P HA -0.051 nan 4.420 nan 0.000 0.220 306 P C 0.369 177.885 177.300 0.359 0.000 1.148 306 P CA 0.947 64.233 63.100 0.309 0.000 0.803 306 P CB 0.474 32.330 31.700 0.261 0.000 0.782 307 D N -1.496 119.095 120.400 0.319 0.000 2.380 307 D HA 0.066 4.712 4.640 0.010 0.000 0.212 307 D C 1.403 177.869 176.300 0.277 0.000 1.021 307 D CA 0.715 54.904 54.000 0.315 0.000 0.884 307 D CB 0.233 41.180 40.800 0.245 0.000 1.001 307 D HN 0.230 nan 8.370 nan 0.000 0.506 308 K N 0.042 120.616 120.400 0.291 0.000 2.380 308 K HA 0.346 4.672 4.320 0.010 0.000 0.198 308 K C 0.933 177.704 176.600 0.285 0.000 1.070 308 K CA 0.281 56.723 56.287 0.258 0.000 1.040 308 K CB 2.186 34.913 32.500 0.379 0.000 0.903 308 K HN 0.094 nan 8.250 nan 0.000 0.549 309 G N 1.748 110.789 108.800 0.402 0.000 2.482 309 G HA2 -0.281 3.685 3.960 0.010 0.000 0.214 309 G HA3 -0.281 3.685 3.960 0.010 0.000 0.214 309 G C -1.192 173.998 174.900 0.482 0.000 1.271 309 G CA -0.573 44.793 45.100 0.443 0.000 0.944 309 G HN 0.118 nan 8.290 nan 0.000 0.568 310 F N 0.837 120.895 119.950 0.179 0.000 2.394 310 F HA 0.791 5.325 4.527 0.011 0.000 0.340 310 F C -0.350 175.330 175.800 -0.201 0.000 1.105 310 F CA -1.375 56.675 58.000 0.084 0.000 1.124 310 F CB 0.875 39.959 39.000 0.140 0.000 1.145 310 F HN 0.345 nan 8.300 nan 0.000 0.505 311 F N 6.821 126.239 119.950 -0.887 0.000 2.477 311 F HA 0.479 5.012 4.527 0.010 0.000 0.335 311 F C -1.022 174.195 175.800 -0.971 0.000 1.130 311 F CA -1.014 56.558 58.000 -0.714 0.000 0.948 311 F CB 1.709 40.389 39.000 -0.532 0.000 1.154 311 F HN 0.276 nan 8.300 nan 0.000 0.439 312 L N 5.344 126.239 121.223 -0.546 0.000 2.296 312 L HA 0.495 4.841 4.340 0.010 0.000 0.286 312 L C 0.142 176.804 176.870 -0.347 0.000 1.023 312 L CA -0.394 54.218 54.840 -0.380 0.000 0.812 312 L CB 0.751 42.735 42.059 -0.125 0.000 1.223 312 L HN 0.624 nan 8.230 nan 0.000 0.421 313 N N 4.400 122.717 118.700 -0.638 0.000 2.716 313 N HA -0.225 4.521 4.740 0.010 0.000 0.250 313 N C 0.940 176.164 175.510 -0.477 0.000 1.033 313 N CA 1.254 53.751 53.050 -0.921 0.000 0.727 313 N CB -1.195 37.095 38.487 -0.330 0.000 0.950 313 N HN 1.204 nan 8.380 nan 0.000 0.541 314 G N -1.148 107.450 108.800 -0.337 0.000 2.176 314 G HA2 -0.349 3.617 3.960 0.010 0.000 0.253 314 G HA3 -0.349 3.617 3.960 0.010 0.000 0.253 314 G C -0.034 175.002 174.900 0.226 0.000 0.979 314 G CA 0.778 45.943 45.100 0.109 0.000 0.641 314 G HN 0.658 nan 8.290 nan 0.000 0.530 315 K N 0.530 121.005 120.400 0.126 0.000 2.292 315 K HA 0.448 4.774 4.320 0.010 0.000 0.257 315 K C 0.233 176.772 176.600 -0.102 0.000 0.940 315 K CA -0.951 55.397 56.287 0.102 0.000 0.811 315 K CB 0.662 33.154 32.500 -0.012 0.000 1.120 315 K HN 0.278 nan 8.250 nan 0.000 0.428 316 H N 4.234 123.060 119.070 -0.408 0.000 3.001 316 H HA 0.042 4.604 4.556 0.010 0.000 0.334 316 H C -1.363 173.679 175.328 -0.477 0.000 1.034 316 H CA 0.406 55.871 56.048 -0.971 0.000 1.420 316 H CB 0.753 30.022 29.762 -0.822 0.000 1.405 316 H HN 0.353 nan 8.280 nan 0.000 0.593 317 L N 8.691 129.300 121.223 -1.023 0.000 2.457 317 L HA 0.376 4.723 4.340 0.010 0.000 0.266 317 L C -2.747 173.740 176.870 -0.638 0.000 0.979 317 L CA -1.726 52.735 54.840 -0.632 0.000 0.857 317 L CB 1.750 43.664 42.059 -0.241 0.000 1.213 317 L HN 0.481 nan 8.230 nan 0.000 0.418 318 P HA 0.162 nan 4.420 nan 0.000 0.268 318 P C -0.911 176.082 177.300 -0.512 0.000 1.204 318 P CA 0.268 63.089 63.100 -0.465 0.000 0.768 318 P CB 0.468 31.932 31.700 -0.393 0.000 0.842 319 L N 4.440 125.457 121.223 -0.344 0.000 2.259 319 L HA 0.255 4.602 4.340 0.010 0.000 0.288 319 L C 0.529 177.119 176.870 -0.467 0.000 1.051 319 L CA -0.253 54.353 54.840 -0.390 0.000 0.824 319 L CB -0.053 41.837 42.059 -0.282 0.000 1.206 319 L HN 0.459 nan 8.230 nan 0.000 0.429 320 H N 2.827 121.486 119.070 -0.685 0.000 2.818 320 H HA 0.316 4.878 4.556 0.010 0.000 0.269 320 H C 0.496 175.230 175.328 -0.990 0.000 1.277 320 H CA -0.553 54.770 56.048 -1.208 0.000 1.290 320 H CB 0.895 29.390 29.762 -2.113 0.000 1.479 320 H HN 0.735 nan 8.280 nan 0.000 0.507 321 G N 1.652 110.109 108.800 -0.572 0.000 2.454 321 G HA2 0.524 4.491 3.960 0.010 0.000 0.329 321 G HA3 0.524 4.491 3.960 0.010 0.000 0.329 321 G C -0.435 174.401 174.900 -0.106 0.000 1.177 321 G CA -0.547 44.297 45.100 -0.427 0.000 0.951 321 G HN 0.453 nan 8.290 nan 0.000 0.485 322 V N -2.690 117.240 119.914 0.026 0.000 3.160 322 V HA 0.801 4.927 4.120 0.010 0.000 0.310 322 V C -0.272 175.822 176.094 -0.000 0.000 1.181 322 V CA -1.156 61.117 62.300 -0.044 0.000 1.047 322 V CB 1.238 32.935 31.823 -0.209 0.000 1.068 322 V HN 0.872 nan 8.190 nan 0.000 0.441 323 C N 1.804 121.020 119.300 -0.140 0.000 2.401 323 C HA 0.944 5.410 4.460 0.010 0.000 0.356 323 C C -0.098 174.663 174.990 -0.381 0.000 1.192 323 C CA -0.446 58.411 59.018 -0.268 0.000 2.028 323 C CB 1.317 28.920 27.740 -0.228 0.000 2.344 323 C HN 1.071 nan 8.230 nan 0.000 0.525 324 R N 1.072 121.328 120.500 -0.406 0.000 2.515 324 R HA 0.293 4.639 4.340 0.010 0.000 0.278 324 R C -1.528 174.567 176.300 -0.342 0.000 1.107 324 R CA -0.296 55.658 56.100 -0.244 0.000 0.945 324 R CB 0.935 31.218 30.300 -0.029 0.000 1.219 324 R HN 0.944 nan 8.270 nan 0.000 0.434 325 H N 2.543 121.442 119.070 -0.285 0.000 2.488 325 H HA 0.118 4.682 4.556 0.013 0.000 0.347 325 H C 0.129 175.478 175.328 0.035 0.000 1.174 325 H CA -0.027 55.895 56.048 -0.210 0.000 1.307 325 H CB 1.726 31.296 29.762 -0.320 0.000 1.517 325 H HN 0.507 nan 8.280 nan 0.000 0.554 326 Q N 1.050 121.076 119.800 0.377 0.000 2.412 326 Q HA 0.128 4.474 4.340 0.010 0.000 0.298 326 Q C -0.844 175.239 176.000 0.138 0.000 0.938 326 Q CA -0.567 55.396 55.803 0.266 0.000 0.968 326 Q CB -0.133 28.824 28.738 0.366 0.000 1.187 326 Q HN 0.450 nan 8.270 nan 0.000 0.421 327 D N 0.104 120.577 120.400 0.122 0.000 2.585 327 D HA 0.594 5.240 4.640 0.010 0.000 0.254 327 D C -0.859 175.389 176.300 -0.085 0.000 1.067 327 D CA -0.906 53.099 54.000 0.008 0.000 1.090 327 D CB 1.631 42.539 40.800 0.181 0.000 1.408 327 D HN 0.230 nan 8.370 nan 0.000 0.554 328 R N -0.824 119.478 120.500 -0.330 0.000 2.690 328 R HA 0.623 4.969 4.340 0.010 0.000 0.269 328 R C -1.323 174.195 176.300 -1.303 0.000 1.037 328 R CA -0.713 54.924 56.100 -0.771 0.000 0.877 328 R CB 1.666 31.531 30.300 -0.724 0.000 1.255 328 R HN 0.642 nan 8.270 nan 0.000 0.467 329 A N 1.857 123.591 122.820 -1.810 0.000 2.520 329 A HA 0.148 4.475 4.320 0.010 0.000 0.235 329 A C 0.408 177.643 177.584 -0.581 0.000 1.065 329 A CA 1.157 52.415 52.037 -1.299 0.000 0.764 329 A CB -0.045 18.526 19.000 -0.715 0.000 1.002 329 A HN 1.037 nan 8.150 nan 0.000 0.502 330 E N -1.386 118.634 120.200 -0.299 0.000 5.086 330 E HA -0.310 4.046 4.350 0.010 0.000 0.187 330 E C 0.985 177.483 176.600 -0.170 0.000 1.056 330 E CA 1.943 58.242 56.400 -0.168 0.000 2.105 330 E CB -1.704 27.910 29.700 -0.142 0.000 1.787 330 E HN 1.309 nan 8.360 nan 0.000 0.445 331 V N -3.206 116.549 119.914 -0.265 0.000 3.643 331 V HA 0.517 4.644 4.120 0.010 0.000 0.280 331 V C 1.216 177.112 176.094 -0.329 0.000 1.351 331 V CA 1.299 63.457 62.300 -0.238 0.000 1.073 331 V CB 0.207 31.899 31.823 -0.219 0.000 0.863 331 V HN 0.690 nan 8.190 nan 0.000 0.436 332 G N 2.857 111.413 108.800 -0.405 0.000 2.556 332 G HA2 -0.400 3.567 3.960 0.010 0.000 0.283 332 G HA3 -0.400 3.567 3.960 0.010 0.000 0.283 332 G C 0.435 174.847 174.900 -0.813 0.000 1.177 332 G CA 0.679 45.326 45.100 -0.756 0.000 0.978 332 G HN 1.071 nan 8.290 nan 0.000 0.554 333 N N 1.422 119.500 118.700 -1.037 0.000 2.268 333 N HA 0.489 5.235 4.740 0.010 0.000 0.204 333 N C 0.922 176.336 175.510 -0.161 0.000 1.124 333 N CA 1.201 53.951 53.050 -0.500 0.000 0.838 333 N CB 0.143 38.326 38.487 -0.506 0.000 0.994 333 N HN 1.381 nan 8.380 nan 0.000 0.489 334 A N 1.398 124.095 122.820 -0.204 0.000 3.063 334 A HA 0.333 4.659 4.320 0.010 0.000 0.263 334 A C 0.129 177.706 177.584 -0.011 0.000 1.736 334 A CA -0.511 51.502 52.037 -0.041 0.000 1.408 334 A CB -0.824 18.129 19.000 -0.079 0.000 1.108 334 A HN 0.333 nan 8.150 nan 0.000 0.621 335 L N 0.967 122.203 121.223 0.021 0.000 2.371 335 L HA 0.417 4.764 4.340 0.010 0.000 0.272 335 L C 0.622 177.512 176.870 0.033 0.000 1.124 335 L CA -0.581 54.284 54.840 0.042 0.000 0.816 335 L CB 0.799 42.750 42.059 -0.180 0.000 1.129 335 L HN 0.513 nan 8.230 nan 0.000 0.448 336 R N 2.777 123.284 120.500 0.012 0.000 2.596 336 R HA 0.324 4.670 4.340 0.010 0.000 0.267 336 R C -1.599 174.575 176.300 -0.211 0.000 1.026 336 R CA -1.685 54.294 56.100 -0.203 0.000 1.087 336 R CB 0.253 30.318 30.300 -0.392 0.000 1.132 336 R HN 0.252 nan 8.270 nan 0.000 0.531 337 P HA -0.204 nan 4.420 nan 0.000 0.216 337 P C 0.606 177.982 177.300 0.127 0.000 1.150 337 P CA 1.209 64.387 63.100 0.130 0.000 0.837 337 P CB 0.151 31.809 31.700 -0.070 0.000 0.786 338 Q N -0.319 119.431 119.800 -0.082 0.000 2.291 338 Q HA -0.211 4.135 4.340 0.010 0.000 0.206 338 Q C 1.589 177.542 176.000 -0.078 0.000 0.976 338 Q CA 1.612 57.367 55.803 -0.080 0.000 0.875 338 Q CB -1.427 27.220 28.738 -0.152 0.000 0.927 338 Q HN 0.457 nan 8.270 nan 0.000 0.450 339 H N -0.102 118.903 119.070 -0.109 0.000 2.363 339 H HA -0.013 4.549 4.556 0.011 0.000 0.301 339 H C 1.990 177.206 175.328 -0.186 0.000 1.074 339 H CA 1.094 57.014 56.048 -0.214 0.000 1.354 339 H CB 0.086 29.646 29.762 -0.336 0.000 1.397 339 H HN 0.388 nan 8.280 nan 0.000 0.516 340 H N 0.994 120.134 119.070 0.116 0.000 2.353 340 H HA -0.100 4.462 4.556 0.011 0.000 0.300 340 H C 1.989 177.312 175.328 -0.007 0.000 1.090 340 H CA 1.330 57.401 56.048 0.039 0.000 1.327 340 H CB -0.141 29.667 29.762 0.077 0.000 1.383 340 H HN 0.537 nan 8.280 nan 0.000 0.508 341 E N 0.598 120.899 120.200 0.169 0.000 2.058 341 E HA -0.191 4.165 4.350 0.010 0.000 0.194 341 E C 2.267 178.891 176.600 0.041 0.000 0.997 341 E CA 1.139 57.596 56.400 0.095 0.000 0.801 341 E CB 0.012 29.798 29.700 0.145 0.000 0.746 341 E HN 0.542 nan 8.360 nan 0.000 0.450 342 E N 0.657 120.877 120.200 0.033 0.000 2.106 342 E HA -0.222 4.134 4.350 0.010 0.000 0.192 342 E C 1.335 177.947 176.600 0.019 0.000 0.984 342 E CA 1.288 57.695 56.400 0.012 0.000 0.806 342 E CB 0.122 29.820 29.700 -0.004 0.000 0.750 342 E HN 0.143 nan 8.360 nan 0.000 0.458 343 D N 0.195 120.594 120.400 -0.002 0.000 2.117 343 D HA -0.155 4.491 4.640 0.010 0.000 0.197 343 D C 1.910 178.295 176.300 0.142 0.000 0.987 343 D CA 0.917 54.968 54.000 0.085 0.000 0.829 343 D CB -0.319 40.482 40.800 0.002 0.000 0.961 343 D HN 0.115 nan 8.370 nan 0.000 0.460 344 V N 0.548 120.479 119.914 0.028 0.000 2.453 344 V HA -0.135 3.991 4.120 0.010 0.000 0.247 344 V C 2.143 178.167 176.094 -0.118 0.000 1.048 344 V CA 1.849 64.111 62.300 -0.063 0.000 1.049 344 V CB -0.418 31.318 31.823 -0.144 0.000 0.672 344 V HN 0.182 nan 8.190 nan 0.000 0.457 345 A N -0.157 122.613 122.820 -0.084 0.000 1.908 345 A HA -0.192 4.134 4.320 0.010 0.000 0.218 345 A C 2.149 179.736 177.584 0.006 0.000 1.181 345 A CA 2.265 54.264 52.037 -0.062 0.000 0.627 345 A CB -0.616 18.375 19.000 -0.015 0.000 0.818 345 A HN 0.569 nan 8.150 nan 0.000 0.445 346 L N -1.401 119.867 121.223 0.074 0.000 2.056 346 L HA -0.188 4.158 4.340 0.010 0.000 0.207 346 L C 2.894 179.845 176.870 0.135 0.000 1.078 346 L CA 1.459 56.391 54.840 0.153 0.000 0.749 346 L CB -0.427 41.769 42.059 0.229 0.000 0.901 346 L HN 0.422 nan 8.230 nan 0.000 0.433 347 M N -1.148 118.485 119.600 0.054 0.000 2.086 347 M HA -0.175 4.311 4.480 0.010 0.000 0.261 347 M C 2.418 178.675 176.300 -0.071 0.000 1.067 347 M CA 1.491 56.767 55.300 -0.040 0.000 1.116 347 M CB -0.335 32.239 32.600 -0.043 0.000 1.348 347 M HN 0.102 nan 8.290 nan 0.000 0.407 348 R N 0.340 120.794 120.500 -0.076 0.000 2.096 348 R HA -0.129 4.218 4.340 0.010 0.000 0.235 348 R C 1.857 178.121 176.300 -0.059 0.000 1.127 348 R CA 1.270 57.322 56.100 -0.079 0.000 0.968 348 R CB -0.927 29.301 30.300 -0.120 0.000 0.861 348 R HN 0.570 nan 8.270 nan 0.000 0.440 349 E N 0.248 120.431 120.200 -0.029 0.000 2.118 349 E HA -0.161 4.195 4.350 0.010 0.000 0.195 349 E C 1.723 178.240 176.600 -0.138 0.000 0.992 349 E CA 1.046 57.443 56.400 -0.006 0.000 0.804 349 E CB -0.013 29.758 29.700 0.118 0.000 0.741 349 E HN 0.182 nan 8.360 nan 0.000 0.458 350 M N -0.793 118.632 119.600 -0.290 0.000 2.619 350 M HA 0.048 4.534 4.480 0.010 0.000 0.251 350 M C 0.840 176.987 176.300 -0.256 0.000 1.106 350 M CA 1.084 56.013 55.300 -0.619 0.000 1.086 350 M CB 0.471 32.514 32.600 -0.929 0.000 1.465 350 M HN 0.356 nan 8.290 nan 0.000 0.506 351 G N 0.934 109.675 108.800 -0.099 0.000 2.137 351 G HA2 -0.198 3.769 3.960 0.010 0.000 0.237 351 G HA3 -0.198 3.769 3.960 0.010 0.000 0.237 351 G C -0.075 174.855 174.900 0.049 0.000 1.002 351 G CA 0.086 45.195 45.100 0.015 0.000 0.702 351 G HN 0.331 nan 8.290 nan 0.000 0.515 352 V N 1.550 121.474 119.914 0.017 0.000 2.617 352 V HA 0.231 4.357 4.120 0.010 0.000 0.304 352 V C 1.297 177.310 176.094 -0.135 0.000 1.040 352 V CA 1.008 63.270 62.300 -0.063 0.000 1.149 352 V CB 1.101 32.892 31.823 -0.053 0.000 0.914 352 V HN 0.727 nan 8.190 nan 0.000 0.487 353 N N 2.814 121.374 118.700 -0.233 0.000 2.170 353 N HA 0.378 5.124 4.740 0.010 0.000 0.222 353 N C -0.375 175.068 175.510 -0.112 0.000 1.218 353 N CA 0.408 53.352 53.050 -0.176 0.000 0.889 353 N CB 1.198 39.538 38.487 -0.245 0.000 1.083 353 N HN 0.659 nan 8.380 nan 0.000 0.520 354 A N 0.216 122.976 122.820 -0.100 0.000 2.574 354 A HA 0.749 5.075 4.320 0.010 0.000 0.297 354 A C -1.719 175.957 177.584 0.154 0.000 1.062 354 A CA -0.726 51.336 52.037 0.042 0.000 0.686 354 A CB 1.355 20.317 19.000 -0.063 0.000 1.285 354 A HN 0.233 nan 8.150 nan 0.000 0.403 355 I N 0.646 121.392 120.570 0.293 0.000 2.722 355 I HA 0.600 4.777 4.170 0.010 0.000 0.295 355 I C -0.632 175.529 176.117 0.074 0.000 1.161 355 I CA -0.674 60.744 61.300 0.197 0.000 1.032 355 I CB 1.815 39.851 38.000 0.059 0.000 1.244 355 I HN 0.777 nan 8.210 nan 0.000 0.421 356 R N 7.804 128.178 120.500 -0.209 0.000 2.275 356 R HA 0.471 4.817 4.340 0.010 0.000 0.326 356 R C -1.533 174.504 176.300 -0.438 0.000 0.973 356 R CA -0.607 55.121 56.100 -0.620 0.000 0.854 356 R CB 0.887 30.357 30.300 -1.384 0.000 1.156 356 R HN 0.679 nan 8.270 nan 0.000 0.487 357 L N 4.864 125.918 121.223 -0.281 0.000 2.399 357 L HA 0.297 4.643 4.340 0.010 0.000 0.257 357 L C 0.376 176.993 176.870 -0.423 0.000 1.236 357 L CA -0.369 54.307 54.840 -0.274 0.000 1.144 357 L CB 0.569 42.553 42.059 -0.125 0.000 1.379 357 L HN 0.658 nan 8.230 nan 0.000 0.414 358 A N 1.076 123.490 122.820 -0.676 0.000 2.286 358 A HA 0.372 4.699 4.320 0.010 0.000 0.286 358 A C 0.214 176.879 177.584 -1.532 0.000 1.097 358 A CA -0.398 51.081 52.037 -0.929 0.000 0.821 358 A CB 0.281 18.660 19.000 -1.035 0.000 1.076 358 A HN 0.555 nan 8.150 nan 0.000 0.490 359 H N 0.876 118.946 119.070 -1.666 0.000 2.507 359 H HA 0.354 4.916 4.556 0.009 0.000 0.281 359 H C -1.515 173.474 175.328 -0.566 0.000 1.160 359 H CA 0.256 55.828 56.048 -0.793 0.000 0.981 359 H CB -0.349 29.167 29.762 -0.410 0.000 1.665 359 H HN 0.619 nan 8.280 nan 0.000 0.554 360 Y N -3.613 116.641 120.300 -0.077 0.000 2.702 360 Y HA 0.405 4.961 4.550 0.010 0.000 0.336 360 Y C -3.262 172.678 175.900 0.066 0.000 1.203 360 Y CA -3.538 54.486 58.100 -0.126 0.000 1.072 360 Y CB -0.085 37.934 38.460 -0.735 0.000 1.327 360 Y HN -0.171 nan 8.280 nan 0.000 0.456 361 P HA 0.154 nan 4.420 nan 0.000 0.264 361 P C -0.643 176.974 177.300 0.529 0.000 1.193 361 P CA 0.378 63.778 63.100 0.500 0.000 0.763 361 P CB 0.678 32.703 31.700 0.541 0.000 0.810 362 Q N 1.327 121.334 119.800 0.346 0.000 2.699 362 Q HA 0.676 5.022 4.340 0.010 0.000 0.240 362 Q C -0.097 175.903 176.000 0.001 0.000 1.033 362 Q CA -1.227 54.657 55.803 0.135 0.000 0.938 362 Q CB 1.024 29.697 28.738 -0.109 0.000 1.312 362 Q HN 0.423 nan 8.270 nan 0.000 0.507 363 A N 0.154 122.912 122.820 -0.103 0.000 2.462 363 A HA 0.088 4.414 4.320 0.010 0.000 0.243 363 A C 0.926 178.471 177.584 -0.064 0.000 1.076 363 A CA 0.048 52.056 52.037 -0.049 0.000 0.773 363 A CB 0.183 19.090 19.000 -0.155 0.000 1.010 363 A HN 0.752 nan 8.150 nan 0.000 0.493 364 T N 1.099 115.784 114.554 0.218 0.000 2.699 364 T HA -0.204 4.152 4.350 0.010 0.000 0.268 364 T C 1.604 176.419 174.700 0.192 0.000 1.036 364 T CA 2.460 64.772 62.100 0.353 0.000 1.147 364 T CB -0.438 68.655 68.868 0.375 0.000 0.862 364 T HN 0.674 nan 8.240 nan 0.000 0.446 365 Y N 0.894 121.163 120.300 -0.053 0.000 2.274 365 Y HA -0.067 4.489 4.550 0.010 0.000 0.290 365 Y C 2.288 178.061 175.900 -0.211 0.000 1.145 365 Y CA 0.978 59.019 58.100 -0.098 0.000 1.203 365 Y CB -0.449 37.958 38.460 -0.089 0.000 0.984 365 Y HN 0.105 nan 8.280 nan 0.000 0.533 366 M N -1.128 118.184 119.600 -0.479 0.000 2.132 366 M HA -0.178 4.308 4.480 0.010 0.000 0.263 366 M C 1.635 177.667 176.300 -0.448 0.000 1.065 366 M CA 1.804 56.770 55.300 -0.557 0.000 1.122 366 M CB -0.896 31.336 32.600 -0.613 0.000 1.365 366 M HN 0.269 nan 8.290 nan 0.000 0.411 367 Y N 0.348 120.446 120.300 -0.337 0.000 2.224 367 Y HA -0.197 4.359 4.550 0.011 0.000 0.289 367 Y C 2.236 177.920 175.900 -0.360 0.000 1.146 367 Y CA 1.375 59.180 58.100 -0.491 0.000 1.182 367 Y CB -1.194 36.644 38.460 -1.036 0.000 0.983 367 Y HN 0.267 nan 8.280 nan 0.000 0.524 368 D N 0.072 120.440 120.400 -0.054 0.000 2.123 368 D HA -0.175 4.472 4.640 0.010 0.000 0.196 368 D C 2.224 178.515 176.300 -0.014 0.000 0.992 368 D CA 1.292 55.343 54.000 0.086 0.000 0.833 368 D CB -0.461 40.433 40.800 0.157 0.000 0.954 368 D HN 0.301 nan 8.370 nan 0.000 0.455 369 L N -0.011 121.115 121.223 -0.162 0.000 2.141 369 L HA -0.125 4.221 4.340 0.010 0.000 0.209 369 L C 2.417 179.354 176.870 0.110 0.000 1.094 369 L CA 0.542 55.345 54.840 -0.061 0.000 0.763 369 L CB -0.243 41.697 42.059 -0.198 0.000 0.908 369 L HN 0.032 nan 8.230 nan 0.000 0.437 370 M N -0.627 119.004 119.600 0.051 0.000 2.117 370 M HA -0.182 4.304 4.480 0.010 0.000 0.262 370 M C 1.852 178.297 176.300 0.241 0.000 1.065 370 M CA 1.550 56.932 55.300 0.136 0.000 1.114 370 M CB -1.177 31.482 32.600 0.099 0.000 1.361 370 M HN 0.176 nan 8.290 nan 0.000 0.408 371 D N 0.402 120.916 120.400 0.189 0.000 2.104 371 D HA -0.183 4.463 4.640 0.010 0.000 0.194 371 D C 1.993 178.507 176.300 0.357 0.000 0.994 371 D CA 1.281 55.442 54.000 0.267 0.000 0.830 371 D CB -0.327 40.563 40.800 0.150 0.000 0.959 371 D HN 0.395 nan 8.370 nan 0.000 0.452 372 K N -0.063 120.416 120.400 0.131 0.000 2.148 372 K HA -0.127 4.199 4.320 0.010 0.000 0.204 372 K C 1.430 177.924 176.600 -0.176 0.000 1.050 372 K CA 1.028 57.282 56.287 -0.055 0.000 0.942 372 K CB 0.103 32.484 32.500 -0.199 0.000 0.724 372 K HN 0.276 nan 8.250 nan 0.000 0.446 373 H N -1.391 117.732 119.070 0.088 0.000 2.586 373 H HA 0.133 4.695 4.556 0.010 0.000 0.273 373 H C 0.806 176.137 175.328 0.005 0.000 0.997 373 H CA 0.815 56.882 56.048 0.032 0.000 1.177 373 H CB 1.150 30.921 29.762 0.015 0.000 1.471 373 H HN 0.518 nan 8.280 nan 0.000 0.538 374 G N 1.647 110.537 108.800 0.150 0.000 2.137 374 G HA2 -0.251 3.715 3.960 0.010 0.000 0.237 374 G HA3 -0.251 3.715 3.960 0.010 0.000 0.237 374 G C 0.137 175.078 174.900 0.069 0.000 1.002 374 G CA -0.045 45.004 45.100 -0.086 0.000 0.702 374 G HN 0.309 nan 8.290 nan 0.000 0.515 375 I N 1.288 122.018 120.570 0.267 0.000 2.337 375 I HA 0.259 4.435 4.170 0.010 0.000 0.291 375 I C 1.023 177.328 176.117 0.313 0.000 1.046 375 I CA -0.842 60.579 61.300 0.201 0.000 1.324 375 I CB 1.412 39.490 38.000 0.130 0.000 1.409 375 I HN -0.108 nan 8.210 nan 0.000 0.494 376 V N 6.302 126.381 119.914 0.276 0.000 2.485 376 V HA 0.038 4.164 4.120 0.010 0.000 0.287 376 V C 0.532 176.769 176.094 0.239 0.000 1.022 376 V CA 0.456 62.927 62.300 0.284 0.000 1.067 376 V CB 0.585 32.529 31.823 0.202 0.000 0.967 376 V HN 0.723 nan 8.190 nan 0.000 0.479 377 T N 5.917 120.576 114.554 0.176 0.000 2.807 377 T HA 0.309 4.666 4.350 0.010 0.000 0.279 377 T C -0.790 174.059 174.700 0.249 0.000 0.993 377 T CA -0.331 61.882 62.100 0.188 0.000 0.970 377 T CB 1.020 69.966 68.868 0.130 0.000 0.950 377 T HN 0.727 nan 8.240 nan 0.000 0.441 378 W N 4.476 125.804 121.300 0.047 0.000 2.314 378 W HA 0.713 5.380 4.660 0.011 0.000 0.310 378 W C -1.109 175.391 176.519 -0.031 0.000 1.075 378 W CA -1.942 55.400 57.345 -0.005 0.000 1.253 378 W CB -0.057 29.250 29.460 -0.255 0.000 1.238 378 W HN 0.691 nan 8.180 nan 0.000 0.440 379 A N 5.954 129.010 122.820 0.393 0.000 2.330 379 A HA 0.755 5.081 4.320 0.010 0.000 0.327 379 A C -0.804 177.077 177.584 0.496 0.000 1.155 379 A CA -0.628 51.656 52.037 0.412 0.000 0.803 379 A CB 1.272 20.448 19.000 0.294 0.000 1.208 379 A HN 0.677 nan 8.150 nan 0.000 0.477 380 E N 1.823 122.271 120.200 0.414 0.000 2.408 380 E HA 0.659 5.015 4.350 0.010 0.000 0.275 380 E C -0.735 176.040 176.600 0.292 0.000 0.935 380 E CA -0.859 55.763 56.400 0.370 0.000 0.775 380 E CB 1.469 31.419 29.700 0.418 0.000 1.277 380 E HN 0.716 nan 8.360 nan 0.000 0.455 381 I N -2.532 118.201 120.570 0.271 0.000 2.834 381 I HA 0.406 4.582 4.170 0.010 0.000 0.305 381 I C -2.128 174.169 176.117 0.299 0.000 1.008 381 I CA -2.829 58.626 61.300 0.259 0.000 1.273 381 I CB 0.845 38.971 38.000 0.210 0.000 1.432 381 I HN 0.308 nan 8.210 nan 0.000 0.557 382 P HA 0.127 nan 4.420 nan 0.000 0.226 382 P C -0.551 177.044 177.300 0.492 0.000 1.758 382 P CA 0.106 63.427 63.100 0.367 0.000 0.896 382 P CB -0.497 31.400 31.700 0.329 0.000 1.784 383 F N 2.188 122.320 119.950 0.303 0.000 2.541 383 F HA 0.213 4.746 4.527 0.009 0.000 0.351 383 F C -0.389 175.611 175.800 0.333 0.000 1.209 383 F CA -1.582 56.630 58.000 0.354 0.000 1.277 383 F CB -0.180 39.031 39.000 0.352 0.000 1.632 383 F HN -0.247 nan 8.300 nan 0.000 0.619 384 V N 4.069 124.308 119.914 0.541 0.000 2.435 384 V HA 0.647 4.773 4.120 0.010 0.000 0.290 384 V C 0.740 176.987 176.094 0.255 0.000 1.030 384 V CA -0.624 61.859 62.300 0.304 0.000 0.881 384 V CB 1.097 33.128 31.823 0.346 0.000 0.983 384 V HN 0.645 nan 8.190 nan 0.000 0.445 385 G N 4.292 113.174 108.800 0.136 0.000 2.537 385 G HA2 0.517 4.483 3.960 0.010 0.000 0.297 385 G HA3 0.517 4.483 3.960 0.010 0.000 0.297 385 G C -1.540 173.430 174.900 0.117 0.000 1.310 385 G CA -0.987 44.176 45.100 0.105 0.000 1.027 385 G HN 0.554 nan 8.290 nan 0.000 0.505 386 P HA 0.098 nan 4.420 nan 0.000 0.235 386 P C 1.374 178.738 177.300 0.107 0.000 1.177 386 P CA 1.176 64.351 63.100 0.125 0.000 0.785 386 P CB 0.355 32.112 31.700 0.096 0.000 0.885 387 G N 0.632 109.454 108.800 0.036 0.000 2.561 387 G HA2 -0.290 3.676 3.960 0.010 0.000 0.289 387 G HA3 -0.290 3.676 3.960 0.010 0.000 0.289 387 G C 1.075 175.887 174.900 -0.147 0.000 1.169 387 G CA 0.116 45.185 45.100 -0.051 0.000 0.980 387 G HN 0.406 nan 8.290 nan 0.000 0.550 388 G N -0.838 107.747 108.800 -0.360 0.000 3.088 388 G HA2 0.447 4.414 3.960 0.010 0.000 0.212 388 G HA3 0.447 4.414 3.960 0.010 0.000 0.212 388 G C 0.417 175.114 174.900 -0.338 0.000 1.173 388 G CA 0.948 45.810 45.100 -0.398 0.000 0.779 388 G HN 0.511 nan 8.290 nan 0.000 0.540 389 Y N -0.342 119.932 120.300 -0.043 0.000 2.565 389 Y HA 0.678 5.237 4.550 0.016 0.000 0.325 389 Y C 0.848 176.727 175.900 -0.035 0.000 1.221 389 Y CA -1.384 56.688 58.100 -0.047 0.000 1.316 389 Y CB 0.690 39.106 38.460 -0.072 0.000 1.404 389 Y HN 0.081 nan 8.280 nan 0.000 0.527 390 A N 0.139 123.056 122.820 0.161 0.000 2.249 390 A HA 0.538 4.864 4.320 0.010 0.000 0.281 390 A C -0.235 177.379 177.584 0.050 0.000 1.127 390 A CA 0.177 52.256 52.037 0.069 0.000 0.833 390 A CB -0.227 18.796 19.000 0.038 0.000 1.140 390 A HN 0.872 nan 8.150 nan 0.000 0.502 391 D N -1.242 119.172 120.400 0.023 0.000 3.876 391 D HA -0.091 4.555 4.640 0.010 0.000 0.275 391 D C -0.646 175.666 176.300 0.021 0.000 2.055 391 D CA 0.798 54.804 54.000 0.009 0.000 1.173 391 D CB -0.455 40.344 40.800 -0.002 0.000 0.929 391 D HN 0.529 nan 8.370 nan 0.000 1.134 392 K N -0.354 120.055 120.400 0.016 0.000 2.508 392 K HA 0.579 4.906 4.320 0.010 0.000 0.260 392 K C 0.898 177.539 176.600 0.068 0.000 0.949 392 K CA -0.022 56.283 56.287 0.030 0.000 0.834 392 K CB 1.863 34.357 32.500 -0.010 0.000 1.365 392 K HN 0.516 nan 8.250 nan 0.000 0.437 393 G N 0.517 109.395 108.800 0.131 0.000 2.683 393 G HA2 -0.019 3.947 3.960 0.010 0.000 0.213 393 G HA3 -0.019 3.947 3.960 0.010 0.000 0.213 393 G C -0.069 175.068 174.900 0.395 0.000 1.142 393 G CA 0.422 45.680 45.100 0.262 0.000 0.793 393 G HN 0.364 nan 8.290 nan 0.000 0.534 394 F N 1.300 121.273 119.950 0.038 0.000 2.493 394 F HA 0.675 5.208 4.527 0.010 0.000 0.329 394 F C -1.062 174.493 175.800 -0.410 0.000 1.126 394 F CA -1.650 56.273 58.000 -0.128 0.000 0.937 394 F CB 2.206 41.309 39.000 0.172 0.000 1.146 394 F HN -0.196 nan 8.300 nan 0.000 0.442 395 V N 5.260 124.327 119.914 -1.412 0.000 2.409 395 V HA 0.204 4.331 4.120 0.010 0.000 0.291 395 V C -0.734 174.560 176.094 -1.333 0.000 1.020 395 V CA -0.776 60.863 62.300 -1.102 0.000 0.848 395 V CB 1.522 32.932 31.823 -0.688 0.000 0.990 395 V HN 0.646 nan 8.190 nan 0.000 0.430 396 D N 5.336 125.064 120.400 -1.119 0.000 2.551 396 D HA 0.230 4.876 4.640 0.010 0.000 0.223 396 D C 0.101 176.193 176.300 -0.347 0.000 1.144 396 D CA 0.101 53.621 54.000 -0.799 0.000 1.025 396 D CB 0.147 40.711 40.800 -0.394 0.000 1.085 396 D HN 0.745 nan 8.370 nan 0.000 0.506 397 Q N -0.039 119.598 119.800 -0.271 0.000 2.421 397 Q HA 0.674 5.020 4.340 0.010 0.000 0.280 397 Q C 0.148 176.120 176.000 -0.046 0.000 1.085 397 Q CA -1.133 54.599 55.803 -0.117 0.000 0.807 397 Q CB 1.470 30.148 28.738 -0.100 0.000 1.405 397 Q HN -0.051 nan 8.270 nan 0.000 0.419 398 A N 1.742 124.548 122.820 -0.024 0.000 1.940 398 A HA -0.224 4.103 4.320 0.010 0.000 0.219 398 A C 2.079 179.662 177.584 -0.002 0.000 1.176 398 A CA 2.341 54.374 52.037 -0.007 0.000 0.631 398 A CB -0.991 18.011 19.000 0.003 0.000 0.814 398 A HN 0.920 nan 8.150 nan 0.000 0.446 399 S N -1.012 114.690 115.700 0.004 0.000 2.368 399 S HA -0.188 4.288 4.470 0.010 0.000 0.225 399 S C 1.837 176.440 174.600 0.005 0.000 1.030 399 S CA 1.400 59.602 58.200 0.004 0.000 0.999 399 S CB -0.804 62.401 63.200 0.007 0.000 0.844 399 S HN 0.588 nan 8.310 nan 0.000 0.459 400 F N 2.821 122.700 119.950 -0.118 0.000 2.146 400 F HA 0.067 4.599 4.527 0.009 0.000 0.298 400 F C 2.543 178.247 175.800 -0.160 0.000 1.096 400 F CA 1.239 59.157 58.000 -0.136 0.000 1.275 400 F CB -0.155 38.733 39.000 -0.187 0.000 1.008 400 F HN 0.027 nan 8.300 nan 0.000 0.480 401 R N 0.104 120.560 120.500 -0.074 0.000 2.075 401 R HA -0.116 4.230 4.340 0.010 0.000 0.232 401 R C 2.107 178.382 176.300 -0.042 0.000 1.126 401 R CA 1.468 57.406 56.100 -0.270 0.000 0.963 401 R CB -0.428 29.686 30.300 -0.309 0.000 0.858 401 R HN 0.272 nan 8.270 nan 0.000 0.435 402 E N 0.474 120.658 120.200 -0.027 0.000 2.106 402 E HA -0.170 4.186 4.350 0.010 0.000 0.192 402 E C 1.559 178.142 176.600 -0.028 0.000 0.984 402 E CA 0.724 57.130 56.400 0.009 0.000 0.806 402 E CB -0.435 29.271 29.700 0.010 0.000 0.750 402 E HN 0.364 nan 8.360 nan 0.000 0.458 403 N N 0.956 119.593 118.700 -0.104 0.000 2.166 403 N HA -0.129 4.617 4.740 0.010 0.000 0.186 403 N C 1.995 177.412 175.510 -0.156 0.000 1.019 403 N CA 1.423 54.393 53.050 -0.134 0.000 0.856 403 N CB -0.122 38.255 38.487 -0.182 0.000 0.993 403 N HN 0.156 nan 8.380 nan 0.000 0.426 404 G N 1.181 109.824 108.800 -0.262 0.000 2.418 404 G HA2 -0.219 3.747 3.960 0.010 0.000 0.217 404 G HA3 -0.219 3.747 3.960 0.010 0.000 0.217 404 G C 1.709 176.577 174.900 -0.053 0.000 1.158 404 G CA 0.611 45.585 45.100 -0.211 0.000 0.771 404 G HN 0.381 nan 8.290 nan 0.000 0.545 405 K N -0.002 120.409 120.400 0.018 0.000 2.097 405 K HA -0.110 4.216 4.320 0.010 0.000 0.206 405 K C 2.529 179.124 176.600 -0.008 0.000 1.049 405 K CA 1.207 57.497 56.287 0.005 0.000 0.933 405 K CB -0.185 32.344 32.500 0.048 0.000 0.717 405 K HN 0.427 nan 8.250 nan 0.000 0.442 406 Q N 1.426 121.244 119.800 0.030 0.000 2.050 406 Q HA -0.243 4.103 4.340 0.010 0.000 0.202 406 Q C 2.033 178.084 176.000 0.085 0.000 0.980 406 Q CA 1.616 57.481 55.803 0.103 0.000 0.840 406 Q CB 0.046 28.852 28.738 0.114 0.000 0.898 406 Q HN 0.403 nan 8.270 nan 0.000 0.424 407 Q N 0.030 119.865 119.800 0.059 0.000 2.084 407 Q HA -0.171 4.175 4.340 0.010 0.000 0.202 407 Q C 2.244 178.273 176.000 0.049 0.000 0.978 407 Q CA 1.255 57.120 55.803 0.104 0.000 0.844 407 Q CB -0.109 28.694 28.738 0.108 0.000 0.898 407 Q HN 0.325 nan 8.270 nan 0.000 0.426 408 L N 0.840 122.049 121.223 -0.024 0.000 2.017 408 L HA -0.165 4.182 4.340 0.010 0.000 0.208 408 L C 2.001 178.739 176.870 -0.220 0.000 1.073 408 L CA 1.598 56.372 54.840 -0.111 0.000 0.745 408 L CB -0.416 41.571 42.059 -0.121 0.000 0.894 408 L HN 0.175 nan 8.230 nan 0.000 0.432 409 I N -0.553 119.872 120.570 -0.242 0.000 2.208 409 I HA -0.307 3.870 4.170 0.010 0.000 0.245 409 I C 2.410 178.273 176.117 -0.423 0.000 1.097 409 I CA 1.418 62.462 61.300 -0.426 0.000 1.363 409 I CB -0.411 37.208 38.000 -0.634 0.000 1.051 409 I HN 0.368 nan 8.210 nan 0.000 0.413 410 E N 0.545 120.623 120.200 -0.203 0.000 2.058 410 E HA -0.282 4.075 4.350 0.010 0.000 0.194 410 E C 2.118 178.704 176.600 -0.023 0.000 0.997 410 E CA 1.476 57.877 56.400 0.001 0.000 0.801 410 E CB -0.230 29.593 29.700 0.205 0.000 0.746 410 E HN 0.302 nan 8.360 nan 0.000 0.450 411 L N 1.187 122.405 121.223 -0.008 0.000 1.989 411 L HA -0.195 4.151 4.340 0.010 0.000 0.211 411 L C 2.064 178.838 176.870 -0.159 0.000 1.071 411 L CA 1.707 56.583 54.840 0.061 0.000 0.749 411 L CB -0.387 41.677 42.059 0.007 0.000 0.890 411 L HN 0.137 nan 8.230 nan 0.000 0.431 412 I N -0.800 119.478 120.570 -0.487 0.000 2.179 412 I HA -0.271 3.905 4.170 0.010 0.000 0.242 412 I C 2.674 178.765 176.117 -0.043 0.000 1.088 412 I CA 1.343 62.290 61.300 -0.589 0.000 1.357 412 I CB -0.370 37.213 38.000 -0.695 0.000 1.051 412 I HN 0.262 nan 8.210 nan 0.000 0.409 413 R N 0.377 120.824 120.500 -0.088 0.000 2.073 413 R HA -0.124 4.223 4.340 0.010 0.000 0.229 413 R C 2.274 178.675 176.300 0.168 0.000 1.120 413 R CA 1.113 57.271 56.100 0.097 0.000 0.967 413 R CB -0.297 29.994 30.300 -0.015 0.000 0.862 413 R HN 0.474 nan 8.270 nan 0.000 0.436 414 Q N -0.537 119.239 119.800 -0.041 0.000 2.172 414 Q HA -0.086 4.260 4.340 0.010 0.000 0.200 414 Q C 0.802 176.623 176.000 -0.298 0.000 0.964 414 Q CA 0.947 56.608 55.803 -0.236 0.000 0.855 414 Q CB 0.270 28.729 28.738 -0.464 0.000 0.918 414 Q HN 0.494 nan 8.270 nan 0.000 0.444 415 H N -1.942 117.266 119.070 0.231 0.000 2.581 415 H HA 0.049 4.611 4.556 0.010 0.000 0.275 415 H C 0.518 176.035 175.328 0.314 0.000 1.126 415 H CA -0.296 55.925 56.048 0.288 0.000 1.097 415 H CB 0.183 30.027 29.762 0.137 0.000 1.626 415 H HN 0.276 nan 8.280 nan 0.000 0.565 416 Y N 2.601 123.057 120.300 0.261 0.000 2.193 416 Y HA -0.243 4.313 4.550 0.010 0.000 0.285 416 Y C 1.491 177.465 175.900 0.122 0.000 1.166 416 Y CA 1.590 59.853 58.100 0.272 0.000 1.181 416 Y CB 0.127 38.772 38.460 0.309 0.000 0.976 416 Y HN 0.105 nan 8.280 nan 0.000 0.520 417 N N -0.834 117.903 118.700 0.062 0.000 2.398 417 N HA -0.063 4.684 4.740 0.010 0.000 0.188 417 N C -0.608 174.759 175.510 -0.239 0.000 1.122 417 N CA 0.335 53.332 53.050 -0.089 0.000 0.866 417 N CB -0.293 38.143 38.487 -0.086 0.000 0.970 417 N HN 0.371 nan 8.380 nan 0.000 0.462 418 H N 1.694 120.698 119.070 -0.110 0.000 2.944 418 H HA 0.085 4.647 4.556 0.011 0.000 0.278 418 H C -1.164 173.950 175.328 -0.357 0.000 1.083 418 H CA -1.217 54.721 56.048 -0.183 0.000 1.479 418 H CB 1.239 30.914 29.762 -0.144 0.000 1.486 418 H HN 0.093 nan 8.280 nan 0.000 0.493 419 P HA -0.160 nan 4.420 nan 0.000 0.220 419 P C 1.472 178.161 177.300 -1.019 0.000 1.148 419 P CA 1.034 63.674 63.100 -0.766 0.000 0.803 419 P CB 0.299 31.270 31.700 -1.214 0.000 0.782 420 S N 0.059 115.309 115.700 -0.749 0.000 2.399 420 S HA -0.107 4.369 4.470 0.010 0.000 0.231 420 S C 1.211 175.633 174.600 -0.297 0.000 1.022 420 S CA 0.475 58.417 58.200 -0.431 0.000 0.983 420 S CB -1.437 61.756 63.200 -0.011 0.000 0.803 420 S HN 0.092 nan 8.310 nan 0.000 0.480 421 I N 1.589 121.953 120.570 -0.344 0.000 2.505 421 I HA 0.082 4.258 4.170 0.010 0.000 0.287 421 I C 0.278 176.023 176.117 -0.619 0.000 1.104 421 I CA -0.544 60.485 61.300 -0.451 0.000 1.387 421 I CB 0.488 38.114 38.000 -0.623 0.000 1.404 421 I HN 0.346 nan 8.210 nan 0.000 0.528 422 C N 5.922 124.805 119.300 -0.694 0.000 3.559 422 C HA 0.324 4.790 4.460 0.010 0.000 0.314 422 C C 0.085 174.135 174.990 -1.568 0.000 1.419 422 C CA -0.300 58.023 59.018 -1.158 0.000 1.775 422 C CB -0.864 26.121 27.740 -1.258 0.000 2.430 422 C HN 0.564 nan 8.230 nan 0.000 0.686 423 F N -1.315 118.226 119.950 -0.681 0.000 2.578 423 F HA 0.443 4.976 4.527 0.010 0.000 0.311 423 F C -0.713 174.689 175.800 -0.664 0.000 1.094 423 F CA -1.020 56.567 58.000 -0.689 0.000 0.923 423 F CB 0.744 39.319 39.000 -0.709 0.000 1.230 423 F HN 0.085 nan 8.300 nan 0.000 0.450 424 W N 1.415 122.604 121.300 -0.185 0.000 2.314 424 W HA 0.614 5.280 4.660 0.010 0.000 0.310 424 W C 0.294 176.660 176.519 -0.255 0.000 1.075 424 W CA -1.017 56.234 57.345 -0.157 0.000 1.253 424 W CB 1.829 31.231 29.460 -0.096 0.000 1.238 424 W HN 0.704 nan 8.180 nan 0.000 0.440 425 G N 3.208 112.023 108.800 0.025 0.000 2.338 425 G HA2 0.408 4.374 3.960 0.010 0.000 0.298 425 G HA3 0.408 4.374 3.960 0.010 0.000 0.298 425 G C 0.189 175.160 174.900 0.118 0.000 1.140 425 G CA -0.493 44.578 45.100 -0.049 0.000 0.860 425 G HN 0.701 nan 8.290 nan 0.000 0.470 426 L N 1.475 122.716 121.223 0.029 0.000 2.515 426 L HA 0.366 4.712 4.340 0.010 0.000 0.223 426 L C 0.328 177.410 176.870 0.354 0.000 1.079 426 L CA 0.237 55.182 54.840 0.175 0.000 0.857 426 L CB -0.251 41.907 42.059 0.165 0.000 1.050 426 L HN 0.680 nan 8.230 nan 0.000 0.476 427 F N -2.758 117.269 119.950 0.129 0.000 2.773 427 F HA 0.453 4.986 4.527 0.010 0.000 0.314 427 F C -1.393 174.433 175.800 0.043 0.000 1.160 427 F CA -1.310 56.721 58.000 0.052 0.000 0.920 427 F CB 1.202 40.055 39.000 -0.245 0.000 1.323 427 F HN -0.260 nan 8.300 nan 0.000 0.457 428 N N 1.326 120.196 118.700 0.284 0.000 2.519 428 N HA 0.221 4.967 4.740 0.010 0.000 0.286 428 N C -1.286 174.326 175.510 0.170 0.000 1.079 428 N CA -0.159 52.966 53.050 0.126 0.000 0.878 428 N CB 1.571 40.024 38.487 -0.057 0.000 1.375 428 N HN 0.914 nan 8.380 nan 0.000 0.514 429 E N 1.569 121.901 120.200 0.219 0.000 2.416 429 E HA -0.198 4.158 4.350 0.010 0.000 0.249 429 E C -0.269 176.355 176.600 0.041 0.000 1.124 429 E CA 0.405 56.876 56.400 0.119 0.000 0.732 429 E CB -1.096 28.636 29.700 0.054 0.000 1.286 429 E HN 0.591 nan 8.360 nan 0.000 0.394 430 L N 0.653 121.835 121.223 -0.068 0.000 2.472 430 L HA 0.322 4.668 4.340 0.010 0.000 0.260 430 L C 0.896 177.662 176.870 -0.174 0.000 1.209 430 L CA 0.358 55.041 54.840 -0.262 0.000 0.817 430 L CB 0.380 42.018 42.059 -0.701 0.000 1.106 430 L HN 0.134 nan 8.230 nan 0.000 0.479 431 K N -0.121 120.205 120.400 -0.123 0.000 2.477 431 K HA 0.374 4.700 4.320 0.010 0.000 0.255 431 K C -0.274 176.297 176.600 -0.048 0.000 0.952 431 K CA -0.841 55.409 56.287 -0.062 0.000 0.826 431 K CB 2.036 34.531 32.500 -0.010 0.000 1.331 431 K HN 0.449 nan 8.250 nan 0.000 0.437 432 E N 0.476 120.661 120.200 -0.025 0.000 2.208 432 E HA -0.060 4.297 4.350 0.010 0.000 0.193 432 E C 0.652 177.269 176.600 0.027 0.000 0.988 432 E CA 0.370 56.768 56.400 -0.004 0.000 0.828 432 E CB 0.280 29.984 29.700 0.006 0.000 0.763 432 E HN 0.352 nan 8.360 nan 0.000 0.478 433 V N 0.850 120.779 119.914 0.025 0.000 2.694 433 V HA 0.200 4.326 4.120 0.010 0.000 0.306 433 V C 0.777 176.892 176.094 0.035 0.000 1.054 433 V CA 1.319 63.636 62.300 0.028 0.000 1.161 433 V CB -0.122 31.714 31.823 0.022 0.000 0.916 433 V HN 0.562 nan 8.190 nan 0.000 0.490 434 G N 5.811 114.630 108.800 0.032 0.000 2.509 434 G HA2 -0.225 3.741 3.960 0.010 0.000 0.259 434 G HA3 -0.225 3.741 3.960 0.010 0.000 0.259 434 G C -0.265 174.667 174.900 0.055 0.000 1.169 434 G CA 0.158 45.274 45.100 0.028 0.000 0.953 434 G HN 0.896 nan 8.290 nan 0.000 0.563 435 D N 1.961 122.394 120.400 0.054 0.000 2.412 435 D HA 0.271 4.918 4.640 0.010 0.000 0.257 435 D C 0.503 177.000 176.300 0.327 0.000 1.217 435 D CA 0.198 54.278 54.000 0.134 0.000 0.897 435 D CB 0.412 41.172 40.800 -0.066 0.000 1.132 435 D HN 0.479 nan 8.370 nan 0.000 0.493 436 N N 3.822 122.694 118.700 0.287 0.000 2.439 436 N HA 0.139 4.885 4.740 0.010 0.000 0.249 436 N C -2.003 173.523 175.510 0.026 0.000 1.003 436 N CA -1.882 51.255 53.050 0.146 0.000 0.942 436 N CB 1.438 39.972 38.487 0.079 0.000 1.115 436 N HN 0.078 nan 8.380 nan 0.000 0.505 437 P HA 0.013 nan 4.420 nan 0.000 0.249 437 P C 1.317 178.397 177.300 -0.367 0.000 1.229 437 P CA 0.063 62.665 63.100 -0.830 0.000 0.788 437 P CB 0.609 31.813 31.700 -0.828 0.000 1.072 438 V N 1.131 120.925 119.914 -0.199 0.000 2.252 438 V HA -0.244 3.882 4.120 0.010 0.000 0.249 438 V C 2.653 178.722 176.094 -0.042 0.000 1.056 438 V CA 2.036 64.271 62.300 -0.109 0.000 1.022 438 V CB -0.855 30.942 31.823 -0.043 0.000 0.641 438 V HN 0.138 nan 8.190 nan 0.000 0.445 439 E N -0.961 119.242 120.200 0.006 0.000 2.110 439 E HA -0.218 4.138 4.350 0.010 0.000 0.193 439 E C 2.020 178.680 176.600 0.100 0.000 0.988 439 E CA 1.449 57.884 56.400 0.059 0.000 0.804 439 E CB -0.396 29.358 29.700 0.089 0.000 0.745 439 E HN 0.784 nan 8.360 nan 0.000 0.458 440 Y N 1.241 121.512 120.300 -0.049 0.000 2.242 440 Y HA -0.146 4.410 4.550 0.010 0.000 0.291 440 Y C 2.176 178.110 175.900 0.056 0.000 1.137 440 Y CA 0.747 58.853 58.100 0.011 0.000 1.181 440 Y CB -0.292 38.152 38.460 -0.027 0.000 0.989 440 Y HN -0.209 nan 8.280 nan 0.000 0.527 441 V N 0.836 120.686 119.914 -0.106 0.000 2.407 441 V HA -0.301 3.825 4.120 0.010 0.000 0.248 441 V C 2.236 178.298 176.094 -0.054 0.000 1.055 441 V CA 2.181 64.423 62.300 -0.097 0.000 1.049 441 V CB -0.549 31.226 31.823 -0.079 0.000 0.662 441 V HN 0.336 nan 8.190 nan 0.000 0.455 442 K N -0.092 120.296 120.400 -0.021 0.000 2.103 442 K HA -0.219 4.107 4.320 0.010 0.000 0.207 442 K C 2.110 178.702 176.600 -0.013 0.000 1.048 442 K CA 1.755 58.045 56.287 0.005 0.000 0.930 442 K CB -0.210 32.306 32.500 0.027 0.000 0.716 442 K HN 0.583 nan 8.250 nan 0.000 0.444 443 E N 0.937 121.121 120.200 -0.028 0.000 2.051 443 E HA -0.181 4.175 4.350 0.010 0.000 0.192 443 E C 2.110 178.658 176.600 -0.088 0.000 0.991 443 E CA 1.036 57.420 56.400 -0.027 0.000 0.799 443 E CB -0.161 29.563 29.700 0.040 0.000 0.748 443 E HN 0.245 nan 8.360 nan 0.000 0.449 444 L N 1.351 122.455 121.223 -0.198 0.000 2.046 444 L HA -0.201 4.145 4.340 0.010 0.000 0.208 444 L C 2.559 179.385 176.870 -0.074 0.000 1.077 444 L CA 0.866 55.604 54.840 -0.170 0.000 0.747 444 L CB -0.615 41.318 42.059 -0.210 0.000 0.896 444 L HN 0.254 nan 8.230 nan 0.000 0.432 445 N N 0.542 119.220 118.700 -0.037 0.000 2.084 445 N HA -0.199 4.547 4.740 0.010 0.000 0.190 445 N C 1.859 177.365 175.510 -0.007 0.000 1.030 445 N CA 1.610 54.658 53.050 -0.004 0.000 0.849 445 N CB 0.123 38.621 38.487 0.019 0.000 1.012 445 N HN 0.314 nan 8.380 nan 0.000 0.423 446 A N 1.205 124.019 122.820 -0.009 0.000 1.933 446 A HA -0.116 4.210 4.320 0.010 0.000 0.218 446 A C 2.164 179.736 177.584 -0.020 0.000 1.175 446 A CA 0.886 52.920 52.037 -0.005 0.000 0.628 446 A CB -0.629 18.373 19.000 0.002 0.000 0.814 446 A HN 0.385 nan 8.150 nan 0.000 0.444 447 L N -0.332 120.867 121.223 -0.039 0.000 2.056 447 L HA 0.032 4.378 4.340 0.010 0.000 0.207 447 L C 2.625 179.445 176.870 -0.082 0.000 1.078 447 L CA 2.072 56.876 54.840 -0.061 0.000 0.749 447 L CB -0.889 41.126 42.059 -0.074 0.000 0.901 447 L HN 0.319 nan 8.230 nan 0.000 0.433 448 A N -0.482 122.288 122.820 -0.083 0.000 1.883 448 A HA -0.198 4.128 4.320 0.010 0.000 0.217 448 A C 2.193 179.766 177.584 -0.019 0.000 1.186 448 A CA 1.783 53.762 52.037 -0.096 0.000 0.624 448 A CB -0.528 18.436 19.000 -0.060 0.000 0.822 448 A HN 0.384 nan 8.150 nan 0.000 0.444 449 K N -0.296 120.110 120.400 0.009 0.000 2.148 449 K HA -0.140 4.186 4.320 0.010 0.000 0.204 449 K C 2.105 178.717 176.600 0.019 0.000 1.050 449 K CA 1.573 57.881 56.287 0.035 0.000 0.942 449 K CB -0.434 32.084 32.500 0.030 0.000 0.724 449 K HN 0.820 nan 8.250 nan 0.000 0.446 450 Q N 0.744 120.538 119.800 -0.010 0.000 2.096 450 Q HA -0.094 4.253 4.340 0.010 0.000 0.197 450 Q C 1.477 177.452 176.000 -0.042 0.000 0.964 450 Q CA 0.981 56.770 55.803 -0.023 0.000 0.838 450 Q CB 0.256 28.973 28.738 -0.034 0.000 0.906 450 Q HN 0.152 nan 8.270 nan 0.000 0.444 451 E N 0.522 120.680 120.200 -0.069 0.000 2.106 451 E HA -0.105 4.251 4.350 0.010 0.000 0.192 451 E C -0.033 176.567 176.600 -0.001 0.000 0.984 451 E CA 0.936 57.272 56.400 -0.107 0.000 0.806 451 E CB 0.193 29.784 29.700 -0.182 0.000 0.750 451 E HN 0.253 nan 8.360 nan 0.000 0.458 452 D N -0.903 119.550 120.400 0.089 0.000 2.381 452 D HA 0.098 4.744 4.640 0.010 0.000 0.245 452 D C -2.223 174.196 176.300 0.198 0.000 1.297 452 D CA -1.725 52.428 54.000 0.256 0.000 0.931 452 D CB 1.142 42.216 40.800 0.457 0.000 1.334 452 D HN -0.207 nan 8.370 nan 0.000 0.535 453 P HA -0.048 nan 4.420 nan 0.000 0.234 453 P C 1.101 178.464 177.300 0.106 0.000 1.167 453 P CA 0.734 63.894 63.100 0.100 0.000 0.763 453 P CB -0.046 31.694 31.700 0.066 0.000 0.835 454 T N -3.748 110.883 114.554 0.128 0.000 3.129 454 T HA 0.163 4.519 4.350 0.010 0.000 0.251 454 T C 0.806 175.577 174.700 0.119 0.000 1.117 454 T CA -0.127 62.032 62.100 0.097 0.000 1.034 454 T CB -0.129 68.776 68.868 0.063 0.000 0.968 454 T HN 0.048 nan 8.240 nan 0.000 0.526 455 R N 1.734 122.281 120.500 0.078 0.000 2.686 455 R HA 0.542 4.888 4.340 0.010 0.000 0.286 455 R C -2.935 173.335 176.300 -0.050 0.000 0.969 455 R CA -2.431 53.618 56.100 -0.085 0.000 0.898 455 R CB 1.803 31.838 30.300 -0.442 0.000 1.183 455 R HN 0.156 nan 8.270 nan 0.000 0.456 456 P HA 0.061 nan 4.420 nan 0.000 0.276 456 P C -0.529 176.729 177.300 -0.069 0.000 1.244 456 P CA -0.350 62.703 63.100 -0.078 0.000 0.801 456 P CB 0.889 32.526 31.700 -0.105 0.000 1.006 457 T N -2.040 112.494 114.554 -0.034 0.000 2.918 457 T HA 0.580 4.937 4.350 0.010 0.000 0.283 457 T C 0.033 174.614 174.700 -0.199 0.000 1.001 457 T CA -0.430 61.638 62.100 -0.053 0.000 1.041 457 T CB 1.089 69.951 68.868 -0.010 0.000 1.028 457 T HN 0.537 nan 8.240 nan 0.000 0.511 458 T N -0.340 114.012 114.554 -0.337 0.000 2.787 458 T HA 0.736 5.092 4.350 0.010 0.000 0.297 458 T C -1.489 172.894 174.700 -0.529 0.000 1.221 458 T CA -0.307 61.472 62.100 -0.535 0.000 1.006 458 T CB 1.334 69.595 68.868 -1.011 0.000 1.328 458 T HN 1.331 nan 8.240 nan 0.000 0.509 459 S N 0.134 115.515 115.700 -0.531 0.000 2.588 459 S HA 0.810 5.286 4.470 0.010 0.000 0.269 459 S C -1.300 173.090 174.600 -0.349 0.000 1.157 459 S CA -0.724 57.094 58.200 -0.637 0.000 0.824 459 S CB 1.221 63.575 63.200 -1.411 0.000 1.126 459 S HN 1.253 nan 8.310 nan 0.000 0.464 460 A N 0.873 123.486 122.820 -0.344 0.000 2.291 460 A HA 0.841 5.167 4.320 0.010 0.000 0.311 460 A C -0.155 177.320 177.584 -0.183 0.000 1.224 460 A CA -0.570 51.378 52.037 -0.149 0.000 0.821 460 A CB 1.082 20.042 19.000 -0.067 0.000 1.172 460 A HN 1.072 nan 8.150 nan 0.000 0.494 461 S N 1.384 116.942 115.700 -0.236 0.000 2.532 461 S HA 0.541 5.017 4.470 0.010 0.000 0.301 461 S C 0.190 174.829 174.600 0.065 0.000 1.083 461 S CA -0.516 57.623 58.200 -0.102 0.000 1.025 461 S CB 0.717 63.690 63.200 -0.379 0.000 1.056 461 S HN 0.855 nan 8.310 nan 0.000 0.494 462 N N 2.756 121.560 118.700 0.173 0.000 2.291 462 N HA 0.192 4.938 4.740 0.010 0.000 0.244 462 N C -0.685 174.970 175.510 0.241 0.000 1.216 462 N CA -0.397 52.792 53.050 0.232 0.000 0.879 462 N CB 0.319 38.886 38.487 0.135 0.000 1.167 462 N HN 0.425 nan 8.380 nan 0.000 0.515 463 Q N -0.020 119.961 119.800 0.301 0.000 2.416 463 Q HA 0.393 4.739 4.340 0.010 0.000 0.279 463 Q C -0.938 175.291 176.000 0.381 0.000 1.101 463 Q CA -0.474 55.482 55.803 0.255 0.000 0.830 463 Q CB 1.837 30.671 28.738 0.161 0.000 1.402 463 Q HN 0.146 nan 8.270 nan 0.000 0.445 464 D N -0.388 120.181 120.400 0.282 0.000 2.387 464 D HA 0.610 5.257 4.640 0.010 0.000 0.251 464 D C 0.698 177.163 176.300 0.275 0.000 1.141 464 D CA 0.607 54.789 54.000 0.304 0.000 0.987 464 D CB 1.199 42.132 40.800 0.221 0.000 1.116 464 D HN 0.688 nan 8.370 nan 0.000 0.491 465 G N 0.678 109.670 108.800 0.321 0.000 2.512 465 G HA2 -0.253 3.713 3.960 0.010 0.000 0.210 465 G HA3 -0.253 3.713 3.960 0.010 0.000 0.210 465 G C 0.618 175.736 174.900 0.363 0.000 1.295 465 G CA 0.007 45.274 45.100 0.278 0.000 0.934 465 G HN 0.531 nan 8.290 nan 0.000 0.554 466 N N -0.120 118.721 118.700 0.236 0.000 2.289 466 N HA -0.024 4.722 4.740 0.010 0.000 0.184 466 N C 2.404 178.067 175.510 0.256 0.000 1.016 466 N CA 1.086 54.285 53.050 0.248 0.000 0.872 466 N CB -0.097 38.451 38.487 0.103 0.000 0.973 466 N HN 0.437 nan 8.380 nan 0.000 0.433 467 L N 0.864 122.178 121.223 0.151 0.000 2.265 467 L HA -0.118 4.228 4.340 0.010 0.000 0.215 467 L C 1.277 178.249 176.870 0.171 0.000 1.117 467 L CA 0.686 55.570 54.840 0.073 0.000 0.782 467 L CB -0.228 41.785 42.059 -0.077 0.000 0.914 467 L HN 0.302 nan 8.230 nan 0.000 0.441 468 N N -0.624 118.158 118.700 0.138 0.000 2.467 468 N HA -0.023 4.723 4.740 0.010 0.000 0.184 468 N C 0.554 175.840 175.510 -0.374 0.000 1.106 468 N CA 0.796 53.750 53.050 -0.159 0.000 0.892 468 N CB 0.229 38.586 38.487 -0.217 0.000 0.969 468 N HN 0.286 nan 8.380 nan 0.000 0.454 469 F N -0.209 119.775 119.950 0.056 0.000 2.791 469 F HA 0.421 4.954 4.527 0.010 0.000 0.308 469 F C 1.454 177.281 175.800 0.044 0.000 1.138 469 F CA -0.277 57.749 58.000 0.045 0.000 1.294 469 F CB 0.213 39.234 39.000 0.035 0.000 0.975 469 F HN -0.107 nan 8.300 nan 0.000 0.512 470 I N -1.260 119.396 120.570 0.144 0.000 3.136 470 I HA 0.023 4.199 4.170 0.010 0.000 0.262 470 I C 1.318 177.474 176.117 0.065 0.000 1.132 470 I CA 0.329 61.699 61.300 0.116 0.000 1.450 470 I CB -0.125 37.949 38.000 0.123 0.000 1.315 470 I HN -0.003 nan 8.210 nan 0.000 0.460 471 T N -1.305 113.264 114.554 0.024 0.000 2.828 471 T HA 0.173 4.529 4.350 0.010 0.000 0.290 471 T C 0.799 175.471 174.700 -0.046 0.000 1.019 471 T CA -0.381 61.699 62.100 -0.033 0.000 1.031 471 T CB 1.470 70.267 68.868 -0.118 0.000 1.001 471 T HN 0.157 nan 8.240 nan 0.000 0.531 472 E N 0.902 121.068 120.200 -0.057 0.000 2.047 472 E HA -0.055 4.301 4.350 0.010 0.000 0.191 472 E C 0.210 176.762 176.600 -0.080 0.000 0.987 472 E CA 0.874 57.248 56.400 -0.044 0.000 0.799 472 E CB 0.036 29.713 29.700 -0.038 0.000 0.752 472 E HN 0.521 nan 8.360 nan 0.000 0.449 473 N N 0.051 118.650 118.700 -0.169 0.000 2.456 473 N HA 0.374 5.121 4.740 0.010 0.000 0.296 473 N C -1.017 174.432 175.510 -0.101 0.000 1.102 473 N CA -0.492 52.442 53.050 -0.194 0.000 0.924 473 N CB 1.669 39.804 38.487 -0.587 0.000 1.186 473 N HN -0.046 nan 8.380 nan 0.000 0.492 474 I N 0.396 121.000 120.570 0.058 0.000 2.785 474 I HA 0.827 5.003 4.170 0.010 0.000 0.302 474 I C -1.274 174.852 176.117 0.015 0.000 1.069 474 I CA -0.887 60.331 61.300 -0.136 0.000 1.045 474 I CB 1.731 39.520 38.000 -0.351 0.000 1.236 474 I HN 0.605 nan 8.210 nan 0.000 0.429 475 A N 5.499 128.196 122.820 -0.205 0.000 2.572 475 A HA 0.756 5.082 4.320 0.010 0.000 0.295 475 A C -1.969 175.491 177.584 -0.207 0.000 1.072 475 A CA -0.620 51.412 52.037 -0.008 0.000 0.691 475 A CB 1.252 20.371 19.000 0.199 0.000 1.291 475 A HN 0.646 nan 8.150 nan 0.000 0.404 476 W N 0.687 122.054 121.300 0.112 0.000 2.689 476 W HA 0.347 5.013 4.660 0.010 0.000 0.340 476 W C -0.560 175.951 176.519 -0.012 0.000 1.060 476 W CA -0.596 56.791 57.345 0.070 0.000 1.218 476 W CB 1.897 31.418 29.460 0.103 0.000 1.410 476 W HN 0.800 nan 8.180 nan 0.000 0.528 477 N N 2.851 121.655 118.700 0.174 0.000 2.414 477 N HA 0.293 5.039 4.740 0.010 0.000 0.256 477 N C -0.388 175.123 175.510 0.001 0.000 1.029 477 N CA -0.422 52.651 53.050 0.038 0.000 0.948 477 N CB 0.856 39.383 38.487 0.066 0.000 1.102 477 N HN -0.040 nan 8.380 nan 0.000 0.496 478 R N 2.186 122.571 120.500 -0.192 0.000 2.621 478 R HA 0.251 4.597 4.340 0.010 0.000 0.292 478 R C -0.991 175.130 176.300 -0.299 0.000 0.969 478 R CA -0.557 55.449 56.100 -0.156 0.000 0.887 478 R CB 1.070 31.297 30.300 -0.121 0.000 1.180 478 R HN 0.667 nan 8.270 nan 0.000 0.450 479 Y N -0.103 120.362 120.300 0.275 0.000 2.672 479 Y HA 0.204 4.761 4.550 0.012 0.000 0.272 479 Y C -0.488 175.664 175.900 0.419 0.000 1.055 479 Y CA -0.851 57.487 58.100 0.397 0.000 1.151 479 Y CB 0.574 39.315 38.460 0.467 0.000 1.190 479 Y HN 0.482 nan 8.280 nan 0.000 0.574 480 D N 0.405 121.027 120.400 0.371 0.000 2.412 480 D HA 0.371 5.018 4.640 0.010 0.000 0.257 480 D C 1.320 177.847 176.300 0.378 0.000 1.217 480 D CA 1.602 55.771 54.000 0.282 0.000 0.897 480 D CB 0.694 41.564 40.800 0.116 0.000 1.132 480 D HN 0.559 nan 8.370 nan 0.000 0.493 481 G N 1.874 110.925 108.800 0.419 0.000 2.194 481 G HA2 -0.290 3.677 3.960 0.010 0.000 0.236 481 G HA3 -0.290 3.677 3.960 0.010 0.000 0.236 481 G C 0.495 175.899 174.900 0.840 0.000 0.987 481 G CA 0.135 45.581 45.100 0.575 0.000 0.635 481 G HN 0.605 nan 8.290 nan 0.000 0.520 482 W N 0.161 121.723 121.300 0.437 0.000 3.330 482 W HA 0.352 5.017 4.660 0.008 0.000 0.243 482 W C 0.353 176.860 176.519 -0.019 0.000 0.954 482 W CA 0.386 57.804 57.345 0.121 0.000 2.074 482 W CB 0.377 29.697 29.460 -0.233 0.000 1.096 482 W HN 0.101 nan 8.180 nan 0.000 0.643 483 Y N 2.677 123.045 120.300 0.114 0.000 2.735 483 Y HA 0.381 4.936 4.550 0.009 0.000 0.354 483 Y C 1.007 176.896 175.900 -0.019 0.000 1.288 483 Y CA 0.792 58.838 58.100 -0.089 0.000 1.836 483 Y CB -0.462 38.012 38.460 0.024 0.000 1.920 483 Y HN 0.175 nan 8.280 nan 0.000 0.438 484 G N 0.642 109.471 108.800 0.049 0.000 2.846 484 G HA2 -0.023 3.944 3.960 0.010 0.000 0.660 484 G HA3 -0.023 3.944 3.960 0.010 0.000 0.660 484 G C -0.118 174.864 174.900 0.136 0.000 1.464 484 G CA -0.321 44.817 45.100 0.063 0.000 0.891 484 G HN 0.969 nan 8.290 nan 0.000 0.552 485 S N -2.611 113.156 115.700 0.111 0.000 3.683 485 S HA 0.257 4.733 4.470 0.010 0.000 0.636 485 S C 0.470 175.183 174.600 0.187 0.000 2.235 485 S CA 1.609 59.887 58.200 0.130 0.000 2.445 485 S CB -1.165 62.111 63.200 0.127 0.000 0.330 485 S HN 2.933 nan 8.310 nan 0.000 1.763 486 T N 0.757 115.413 114.554 0.171 0.000 2.907 486 T HA 0.729 5.085 4.350 0.010 0.000 0.292 486 T C -2.353 172.419 174.700 0.120 0.000 1.043 486 T CA -1.106 61.107 62.100 0.188 0.000 1.003 486 T CB 1.566 70.518 68.868 0.140 0.000 1.084 486 T HN 0.315 nan 8.240 nan 0.000 0.483 487 P HA -0.065 nan 4.420 nan 0.000 0.220 487 P C 1.238 178.492 177.300 -0.076 0.000 1.144 487 P CA 0.926 63.966 63.100 -0.099 0.000 0.800 487 P CB 0.095 31.619 31.700 -0.293 0.000 0.772 488 K N 0.287 120.670 120.400 -0.029 0.000 2.209 488 K HA -0.132 4.194 4.320 0.010 0.000 0.204 488 K C 1.532 178.135 176.600 0.005 0.000 1.048 488 K CA 1.912 58.186 56.287 -0.022 0.000 0.940 488 K CB -0.618 31.884 32.500 0.002 0.000 0.729 488 K HN 0.197 nan 8.250 nan 0.000 0.451 489 T N -0.562 114.010 114.554 0.031 0.000 3.072 489 T HA -0.097 4.259 4.350 0.010 0.000 0.266 489 T C 1.739 176.478 174.700 0.066 0.000 1.127 489 T CA 0.652 62.784 62.100 0.053 0.000 1.107 489 T CB -0.118 68.789 68.868 0.065 0.000 0.910 489 T HN 0.200 nan 8.240 nan 0.000 0.513 490 L N 1.719 122.958 121.223 0.026 0.000 2.056 490 L HA 0.273 4.619 4.340 0.010 0.000 0.207 490 L C 2.782 179.688 176.870 0.060 0.000 1.078 490 L CA 1.717 56.576 54.840 0.032 0.000 0.749 490 L CB -1.242 40.778 42.059 -0.066 0.000 0.901 490 L HN 0.307 nan 8.230 nan 0.000 0.433 491 A N -1.366 121.454 122.820 -0.000 0.000 1.902 491 A HA -0.201 4.125 4.320 0.010 0.000 0.217 491 A C 2.243 179.853 177.584 0.044 0.000 1.181 491 A CA 2.336 54.373 52.037 -0.000 0.000 0.623 491 A CB -1.259 17.721 19.000 -0.032 0.000 0.818 491 A HN 0.525 nan 8.150 nan 0.000 0.443 492 T N -0.672 113.914 114.554 0.053 0.000 2.746 492 T HA -0.139 4.218 4.350 0.010 0.000 0.267 492 T C 1.629 176.369 174.700 0.067 0.000 1.039 492 T CA 1.534 63.667 62.100 0.054 0.000 1.142 492 T CB -0.430 68.472 68.868 0.058 0.000 0.866 492 T HN 0.482 nan 8.240 nan 0.000 0.444 493 F N 1.963 121.889 119.950 -0.040 0.000 2.069 493 F HA -0.049 4.485 4.527 0.011 0.000 0.298 493 F C 1.966 177.724 175.800 -0.069 0.000 1.113 493 F CA 1.150 59.102 58.000 -0.080 0.000 1.214 493 F CB -0.641 38.289 39.000 -0.116 0.000 0.978 493 F HN 0.023 nan 8.300 nan 0.000 0.474 494 L N 0.093 121.268 121.223 -0.079 0.000 2.012 494 L HA -0.264 4.083 4.340 0.010 0.000 0.210 494 L C 2.258 179.143 176.870 0.025 0.000 1.073 494 L CA 1.716 56.517 54.840 -0.065 0.000 0.748 494 L CB -0.908 41.218 42.059 0.112 0.000 0.891 494 L HN 0.146 nan 8.230 nan 0.000 0.431 495 D N -0.572 119.863 120.400 0.057 0.000 2.117 495 D HA -0.182 4.465 4.640 0.010 0.000 0.198 495 D C 2.212 178.461 176.300 -0.086 0.000 0.982 495 D CA 1.093 55.111 54.000 0.031 0.000 0.828 495 D CB -0.126 40.701 40.800 0.044 0.000 0.967 495 D HN 0.239 nan 8.370 nan 0.000 0.464 496 R N 0.411 120.839 120.500 -0.121 0.000 2.073 496 R HA -0.069 4.277 4.340 0.010 0.000 0.229 496 R C 1.952 178.136 176.300 -0.194 0.000 1.120 496 R CA 1.533 57.549 56.100 -0.140 0.000 0.967 496 R CB -0.256 29.983 30.300 -0.101 0.000 0.862 496 R HN -0.001 nan 8.270 nan 0.000 0.436 497 T N 0.178 114.538 114.554 -0.323 0.000 2.746 497 T HA -0.197 4.159 4.350 0.010 0.000 0.267 497 T C 1.601 176.247 174.700 -0.090 0.000 1.039 497 T CA 1.558 63.484 62.100 -0.290 0.000 1.142 497 T CB -0.471 67.957 68.868 -0.732 0.000 0.866 497 T HN 0.472 nan 8.240 nan 0.000 0.444 498 H N 0.849 119.772 119.070 -0.245 0.000 2.423 498 H HA 0.026 4.588 4.556 0.010 0.000 0.297 498 H C 2.476 177.655 175.328 -0.248 0.000 1.075 498 H CA 1.324 57.199 56.048 -0.287 0.000 1.342 498 H CB 0.096 29.410 29.762 -0.747 0.000 1.395 498 H HN 0.264 nan 8.280 nan 0.000 0.530 499 K N 0.991 121.204 120.400 -0.312 0.000 2.076 499 K HA -0.110 4.217 4.320 0.010 0.000 0.204 499 K C 2.357 178.795 176.600 -0.269 0.000 1.051 499 K CA 0.910 57.007 56.287 -0.318 0.000 0.949 499 K CB 0.080 32.450 32.500 -0.217 0.000 0.726 499 K HN 0.115 nan 8.250 nan 0.000 0.443 500 K N -0.476 119.759 120.400 -0.275 0.000 2.155 500 K HA -0.099 4.227 4.320 0.010 0.000 0.203 500 K C 0.003 176.232 176.600 -0.618 0.000 1.052 500 K CA 0.994 57.023 56.287 -0.431 0.000 0.948 500 K CB 0.191 32.411 32.500 -0.467 0.000 0.728 500 K HN 0.256 nan 8.250 nan 0.000 0.448 501 H N -0.074 118.994 119.070 -0.004 0.000 2.380 501 H HA 0.167 4.730 4.556 0.010 0.000 0.231 501 H C -2.221 173.135 175.328 0.045 0.000 1.415 501 H CA -1.815 54.287 56.048 0.090 0.000 1.433 501 H CB 1.440 31.337 29.762 0.225 0.000 1.544 501 H HN 0.193 nan 8.280 nan 0.000 0.503 502 P HA -0.135 nan 4.420 nan 0.000 0.228 502 P C 1.338 178.688 177.300 0.083 0.000 1.151 502 P CA 0.947 64.004 63.100 -0.072 0.000 0.770 502 P CB 0.470 32.084 31.700 -0.143 0.000 0.786 503 E N 0.171 120.462 120.200 0.151 0.000 2.385 503 E HA -0.013 4.343 4.350 0.010 0.000 0.194 503 E C 0.647 177.369 176.600 0.203 0.000 1.013 503 E CA 0.034 56.535 56.400 0.168 0.000 0.866 503 E CB -0.722 29.077 29.700 0.165 0.000 0.832 503 E HN 0.283 nan 8.360 nan 0.000 0.500 504 L N 2.110 123.479 121.223 0.243 0.000 2.416 504 L HA 0.201 4.547 4.340 0.010 0.000 0.272 504 L C 0.310 177.354 176.870 0.289 0.000 1.161 504 L CA -0.310 54.671 54.840 0.235 0.000 0.845 504 L CB 0.426 42.631 42.059 0.243 0.000 1.119 504 L HN -0.178 nan 8.230 nan 0.000 0.464 505 R N 3.934 124.592 120.500 0.265 0.000 2.235 505 R HA 0.410 4.756 4.340 0.010 0.000 0.338 505 R C -0.631 176.021 176.300 0.587 0.000 1.087 505 R CA 0.039 56.358 56.100 0.364 0.000 0.948 505 R CB 0.099 30.486 30.300 0.145 0.000 1.099 505 R HN 0.450 nan 8.270 nan 0.000 0.483 506 I N 1.912 122.836 120.570 0.590 0.000 2.342 506 I HA 0.385 4.562 4.170 0.010 0.000 0.291 506 I C 0.992 177.212 176.117 0.171 0.000 1.010 506 I CA -0.061 61.545 61.300 0.509 0.000 1.308 506 I CB 1.569 39.842 38.000 0.456 0.000 1.400 506 I HN 0.605 nan 8.210 nan 0.000 0.488 507 G N 6.223 115.006 108.800 -0.028 0.000 2.816 507 G HA2 0.785 4.751 3.960 0.010 0.000 0.288 507 G HA3 0.785 4.751 3.960 0.010 0.000 0.288 507 G C -1.001 173.827 174.900 -0.121 0.000 1.334 507 G CA -0.626 44.100 45.100 -0.623 0.000 0.978 507 G HN 0.461 nan 8.290 nan 0.000 0.493 508 I N 1.309 121.779 120.570 -0.167 0.000 2.390 508 I HA 0.160 4.336 4.170 0.010 0.000 0.283 508 I C 1.071 177.260 176.117 0.121 0.000 1.016 508 I CA -0.533 60.785 61.300 0.031 0.000 1.151 508 I CB 2.150 40.121 38.000 -0.047 0.000 1.293 508 I HN 0.547 nan 8.210 nan 0.000 0.458 509 S N 3.394 119.143 115.700 0.081 0.000 2.501 509 S HA 0.229 4.705 4.470 0.010 0.000 0.220 509 S C 0.434 174.994 174.600 -0.065 0.000 0.997 509 S CA 0.045 58.187 58.200 -0.097 0.000 0.919 509 S CB 0.038 63.101 63.200 -0.229 0.000 0.778 509 S HN 0.666 nan 8.310 nan 0.000 0.523 510 E N -0.119 120.108 120.200 0.044 0.000 2.335 510 E HA 0.504 4.860 4.350 0.010 0.000 0.280 510 E C -1.865 174.771 176.600 0.061 0.000 0.918 510 E CA -0.882 55.561 56.400 0.070 0.000 0.765 510 E CB 2.162 31.788 29.700 -0.123 0.000 1.218 510 E HN 0.527 nan 8.360 nan 0.000 0.425 511 Y N -0.298 119.975 120.300 -0.045 0.000 2.519 511 Y HA 0.835 5.392 4.550 0.011 0.000 0.336 511 Y C -0.310 175.674 175.900 0.140 0.000 1.089 511 Y CA -0.774 57.242 58.100 -0.140 0.000 1.025 511 Y CB 1.952 40.421 38.460 0.014 0.000 1.318 511 Y HN 0.658 nan 8.280 nan 0.000 0.452 512 G N 0.663 109.465 108.800 0.002 0.000 2.342 512 G HA2 0.742 4.709 3.960 0.010 0.000 0.297 512 G HA3 0.742 4.709 3.960 0.010 0.000 0.297 512 G C -2.177 172.156 174.900 -0.946 0.000 1.313 512 G CA -0.424 44.515 45.100 -0.268 0.000 0.830 512 G HN 1.525 nan 8.290 nan 0.000 0.506 513 A N -1.419 120.773 122.820 -1.046 0.000 2.594 513 A HA 0.911 5.237 4.320 0.010 0.000 0.295 513 A C 0.091 176.858 177.584 -1.362 0.000 1.071 513 A CA 0.228 51.269 52.037 -1.659 0.000 0.685 513 A CB 1.379 19.628 19.000 -1.252 0.000 1.285 513 A HN 2.179 nan 8.150 nan 0.000 0.405 514 G N -0.361 107.163 108.800 -2.126 0.000 2.476 514 G HA2 0.728 4.694 3.960 0.010 0.000 0.269 514 G HA3 0.728 4.694 3.960 0.010 0.000 0.269 514 G C -0.104 174.486 174.900 -0.517 0.000 1.195 514 G CA 0.277 44.759 45.100 -1.029 0.000 0.843 514 G HN 2.083 nan 8.290 nan 0.000 0.545 515 A N 0.313 123.013 122.820 -0.200 0.000 2.513 515 A HA 0.656 4.982 4.320 0.010 0.000 0.296 515 A C -0.383 177.160 177.584 -0.068 0.000 1.052 515 A CA -0.319 51.678 52.037 -0.066 0.000 0.714 515 A CB 1.542 20.499 19.000 -0.072 0.000 1.279 515 A HN 1.362 nan 8.150 nan 0.000 0.397 516 S N 1.712 117.347 115.700 -0.108 0.000 2.489 516 S HA 0.479 4.955 4.470 0.010 0.000 0.291 516 S C 1.227 175.679 174.600 -0.247 0.000 1.151 516 S CA -0.219 57.828 58.200 -0.254 0.000 1.082 516 S CB 0.253 63.082 63.200 -0.618 0.000 1.019 516 S HN 1.322 nan 8.310 nan 0.000 0.492 517 I N 2.101 122.472 120.570 -0.331 0.000 2.916 517 I HA 0.033 4.209 4.170 0.010 0.000 0.267 517 I C 0.365 176.268 176.117 -0.358 0.000 1.263 517 I CA 1.045 62.132 61.300 -0.356 0.000 1.471 517 I CB -0.402 37.315 38.000 -0.472 0.000 1.089 517 I HN 0.600 nan 8.210 nan 0.000 0.468 518 Y N 0.771 121.040 120.300 -0.052 0.000 2.457 518 Y HA 0.304 4.860 4.550 0.010 0.000 0.263 518 Y C 0.341 176.355 175.900 0.189 0.000 1.164 518 Y CA -0.529 57.600 58.100 0.049 0.000 1.274 518 Y CB -0.566 37.927 38.460 0.054 0.000 1.097 518 Y HN 0.260 nan 8.280 nan 0.000 0.523 519 H N 1.290 120.370 119.070 0.017 0.000 2.623 519 H HA 0.407 4.969 4.556 0.009 0.000 0.299 519 H C -0.424 174.772 175.328 -0.220 0.000 1.052 519 H CA -0.720 55.144 56.048 -0.308 0.000 1.231 519 H CB 0.727 29.951 29.762 -0.898 0.000 1.389 519 H HN -0.014 nan 8.280 nan 0.000 0.469 520 Q N 3.192 123.124 119.800 0.221 0.000 2.372 520 Q HA 0.259 4.605 4.340 0.010 0.000 0.273 520 Q C -0.817 175.415 176.000 0.387 0.000 1.078 520 Q CA -0.817 55.129 55.803 0.238 0.000 0.806 520 Q CB 3.437 32.304 28.738 0.216 0.000 1.332 520 Q HN 0.775 nan 8.270 nan 0.000 0.435 521 Q N -0.285 119.706 119.800 0.319 0.000 2.391 521 Q HA 0.363 4.710 4.340 0.010 0.000 0.279 521 Q C -0.521 175.615 176.000 0.226 0.000 1.028 521 Q CA -0.650 55.347 55.803 0.324 0.000 0.836 521 Q CB 1.326 30.303 28.738 0.398 0.000 1.414 521 Q HN 0.320 nan 8.270 nan 0.000 0.397 522 D N 1.274 121.803 120.400 0.216 0.000 2.178 522 D HA -0.083 4.563 4.640 0.010 0.000 0.201 522 D C 0.290 176.658 176.300 0.113 0.000 0.980 522 D CA 1.531 55.627 54.000 0.160 0.000 0.842 522 D CB 0.343 41.272 40.800 0.215 0.000 0.948 522 D HN 0.597 nan 8.370 nan 0.000 0.472 523 S N -0.507 115.267 115.700 0.122 0.000 2.638 523 S HA 0.457 4.933 4.470 0.010 0.000 0.298 523 S C -0.474 174.195 174.600 0.114 0.000 1.111 523 S CA -1.057 57.198 58.200 0.091 0.000 1.027 523 S CB 2.219 65.461 63.200 0.070 0.000 1.064 523 S HN 0.033 nan 8.310 nan 0.000 0.525 524 L N 2.524 123.800 121.223 0.089 0.000 2.261 524 L HA 0.541 4.887 4.340 0.010 0.000 0.289 524 L C -0.425 176.529 176.870 0.139 0.000 1.059 524 L CA 0.190 55.107 54.840 0.128 0.000 0.816 524 L CB -0.157 41.917 42.059 0.024 0.000 1.191 524 L HN 0.916 nan 8.230 nan 0.000 0.431 525 K N 3.394 123.894 120.400 0.167 0.000 2.498 525 K HA 0.418 4.744 4.320 0.010 0.000 0.254 525 K C -1.062 175.384 176.600 -0.258 0.000 0.933 525 K CA -0.861 55.434 56.287 0.014 0.000 0.806 525 K CB 1.475 33.974 32.500 -0.001 0.000 1.301 525 K HN 0.467 nan 8.250 nan 0.000 0.432 526 Q N 3.462 122.841 119.800 -0.701 0.000 2.271 526 Q HA 0.164 4.510 4.340 0.010 0.000 0.273 526 Q C -1.861 173.715 176.000 -0.706 0.000 1.051 526 Q CA -1.426 53.518 55.803 -1.431 0.000 0.901 526 Q CB 0.575 28.595 28.738 -1.197 0.000 1.174 526 Q HN 0.454 nan 8.270 nan 0.000 0.385 527 P HA 0.065 nan 4.420 nan 0.000 0.281 527 P C -1.008 176.075 177.300 -0.361 0.000 1.264 527 P CA -0.566 62.376 63.100 -0.264 0.000 0.824 527 P CB 1.343 33.008 31.700 -0.058 0.000 1.092 528 S N 0.141 115.727 115.700 -0.190 0.000 2.498 528 S HA 0.268 4.744 4.470 0.010 0.000 0.281 528 S C 1.600 176.028 174.600 -0.287 0.000 1.265 528 S CA 0.037 58.107 58.200 -0.217 0.000 1.071 528 S CB -0.438 62.707 63.200 -0.092 0.000 0.894 528 S HN 0.496 nan 8.310 nan 0.000 0.491 529 A N 4.559 127.039 122.820 -0.566 0.000 1.917 529 A HA -0.099 4.227 4.320 0.010 0.000 0.219 529 A C 2.258 179.831 177.584 -0.019 0.000 1.182 529 A CA 2.149 53.729 52.037 -0.761 0.000 0.633 529 A CB -1.041 17.352 19.000 -1.012 0.000 0.819 529 A HN 1.270 nan 8.150 nan 0.000 0.448 530 S N -0.986 114.692 115.700 -0.037 0.000 2.593 530 S HA 0.398 4.874 4.470 0.010 0.000 0.217 530 S C 0.974 175.477 174.600 -0.163 0.000 0.966 530 S CA 0.212 58.400 58.200 -0.020 0.000 0.914 530 S CB -0.457 62.725 63.200 -0.030 0.000 0.776 530 S HN 0.716 nan 8.310 nan 0.000 0.523 531 G N 0.060 108.798 108.800 -0.104 0.000 2.535 531 G HA2 0.438 4.404 3.960 0.010 0.000 0.303 531 G HA3 0.438 4.404 3.960 0.010 0.000 0.303 531 G C -0.607 174.152 174.900 -0.235 0.000 1.237 531 G CA -1.255 43.750 45.100 -0.158 0.000 0.986 531 G HN 0.578 nan 8.290 nan 0.000 0.494 532 W N -0.290 121.043 121.300 0.054 0.000 3.213 532 W HA 0.360 5.023 4.660 0.005 0.000 0.430 532 W C -0.253 176.381 176.519 0.192 0.000 0.975 532 W CA -0.937 56.448 57.345 0.067 0.000 2.015 532 W CB 0.423 29.933 29.460 0.083 0.000 1.047 532 W HN 0.335 nan 8.180 nan 0.000 0.797 533 W N 1.686 123.042 121.300 0.094 0.000 2.728 533 W HA 0.265 4.930 4.660 0.008 0.000 0.324 533 W C -1.409 175.335 176.519 0.375 0.000 1.012 533 W CA -0.557 56.825 57.345 0.061 0.000 1.279 533 W CB 0.365 29.814 29.460 -0.017 0.000 1.289 533 W HN -0.042 nan 8.180 nan 0.000 0.418 534 H N 6.149 125.270 119.070 0.086 0.000 2.423 534 H HA 0.188 4.751 4.556 0.011 0.000 0.237 534 H C -2.008 173.213 175.328 -0.179 0.000 1.391 534 H CA -1.961 54.116 56.048 0.048 0.000 1.453 534 H CB 1.331 31.198 29.762 0.175 0.000 1.484 534 H HN -0.007 nan 8.280 nan 0.000 0.505 535 P HA -0.064 nan 4.420 nan 0.000 0.268 535 P C 0.839 178.154 177.300 0.025 0.000 1.204 535 P CA 0.217 63.156 63.100 -0.268 0.000 0.768 535 P CB 1.584 33.196 31.700 -0.146 0.000 0.842 536 E N 3.648 123.861 120.200 0.021 0.000 2.118 536 E HA -0.264 4.092 4.350 0.010 0.000 0.195 536 E C 1.488 178.164 176.600 0.127 0.000 0.992 536 E CA 1.483 57.919 56.400 0.061 0.000 0.804 536 E CB -0.149 29.579 29.700 0.046 0.000 0.741 536 E HN 0.433 nan 8.360 nan 0.000 0.458 537 N N 0.812 119.606 118.700 0.156 0.000 2.289 537 N HA -0.237 4.509 4.740 0.010 0.000 0.184 537 N C 1.733 177.381 175.510 0.230 0.000 1.016 537 N CA 1.283 54.441 53.050 0.180 0.000 0.872 537 N CB -1.254 37.333 38.487 0.167 0.000 0.973 537 N HN 0.455 nan 8.380 nan 0.000 0.433 538 W N 1.418 122.794 121.300 0.126 0.000 2.381 538 W HA -0.052 4.614 4.660 0.010 0.000 0.301 538 W C 1.949 178.600 176.519 0.221 0.000 1.205 538 W CA 1.306 58.770 57.345 0.198 0.000 1.285 538 W CB -0.109 29.474 29.460 0.205 0.000 1.133 538 W HN 0.287 nan 8.180 nan 0.000 0.521 539 Q N -0.067 119.836 119.800 0.172 0.000 2.096 539 Q HA -0.199 4.147 4.340 0.010 0.000 0.204 539 Q C 1.991 178.019 176.000 0.046 0.000 0.982 539 Q CA 2.796 58.616 55.803 0.029 0.000 0.850 539 Q CB -0.328 28.407 28.738 -0.004 0.000 0.901 539 Q HN 0.072 nan 8.270 nan 0.000 0.422 540 T N 0.125 114.712 114.554 0.054 0.000 2.684 540 T HA -0.220 4.136 4.350 0.010 0.000 0.267 540 T C 1.404 176.027 174.700 -0.129 0.000 1.036 540 T CA 1.579 63.685 62.100 0.010 0.000 1.148 540 T CB -0.644 68.296 68.868 0.119 0.000 0.863 540 T HN 0.456 nan 8.240 nan 0.000 0.436 541 Y N 0.847 120.992 120.300 -0.259 0.000 2.145 541 Y HA -0.226 4.330 4.550 0.010 0.000 0.286 541 Y C 2.287 177.894 175.900 -0.489 0.000 1.145 541 Y CA 1.148 59.003 58.100 -0.408 0.000 1.148 541 Y CB -0.792 37.347 38.460 -0.535 0.000 0.981 541 Y HN 0.312 nan 8.280 nan 0.000 0.507 542 Y N 0.118 119.993 120.300 -0.709 0.000 2.081 542 Y HA -0.384 4.173 4.550 0.012 0.000 0.280 542 Y C 2.708 178.274 175.900 -0.556 0.000 1.163 542 Y CA 2.507 60.215 58.100 -0.653 0.000 1.135 542 Y CB -0.738 37.440 38.460 -0.470 0.000 0.970 542 Y HN 0.240 nan 8.280 nan 0.000 0.498 543 H N -0.528 118.437 119.070 -0.176 0.000 2.389 543 H HA -0.121 4.441 4.556 0.010 0.000 0.299 543 H C 2.286 177.283 175.328 -0.551 0.000 1.081 543 H CA 1.840 57.769 56.048 -0.199 0.000 1.345 543 H CB -0.246 29.437 29.762 -0.132 0.000 1.393 543 H HN 0.479 nan 8.280 nan 0.000 0.520 544 M N 0.316 119.427 119.600 -0.816 0.000 2.086 544 M HA -0.148 4.338 4.480 0.010 0.000 0.261 544 M C 2.214 178.121 176.300 -0.654 0.000 1.067 544 M CA 1.456 56.091 55.300 -1.109 0.000 1.116 544 M CB -0.078 31.892 32.600 -1.050 0.000 1.348 544 M HN 0.113 nan 8.290 nan 0.000 0.407 545 E N 0.311 120.082 120.200 -0.715 0.000 2.072 545 E HA -0.122 4.234 4.350 0.010 0.000 0.191 545 E C 1.672 177.978 176.600 -0.490 0.000 0.985 545 E CA 0.984 57.009 56.400 -0.624 0.000 0.801 545 E CB -0.597 28.627 29.700 -0.794 0.000 0.750 545 E HN 0.566 nan 8.360 nan 0.000 0.452 546 N N 0.316 118.711 118.700 -0.509 0.000 2.142 546 N HA -0.144 4.602 4.740 0.010 0.000 0.186 546 N C 1.698 177.072 175.510 -0.226 0.000 1.023 546 N CA 0.683 53.492 53.050 -0.401 0.000 0.852 546 N CB -0.258 37.960 38.487 -0.448 0.000 0.998 546 N HN 0.355 nan 8.380 nan 0.000 0.424 547 W N 2.601 123.782 121.300 -0.199 0.000 2.342 547 W HA -0.163 4.503 4.660 0.010 0.000 0.297 547 W C 1.526 177.939 176.519 -0.177 0.000 1.213 547 W CA 1.074 58.382 57.345 -0.061 0.000 1.251 547 W CB 0.046 29.574 29.460 0.113 0.000 1.136 547 W HN 0.046 nan 8.180 nan 0.000 0.526 548 K N 0.135 120.238 120.400 -0.495 0.000 2.097 548 K HA -0.186 4.140 4.320 0.010 0.000 0.206 548 K C 1.901 178.235 176.600 -0.444 0.000 1.049 548 K CA 1.829 57.736 56.287 -0.634 0.000 0.933 548 K CB -0.429 31.697 32.500 -0.624 0.000 0.717 548 K HN 0.212 nan 8.250 nan 0.000 0.442 549 I N 0.851 121.184 120.570 -0.395 0.000 2.179 549 I HA -0.285 3.891 4.170 0.010 0.000 0.242 549 I C 2.191 178.068 176.117 -0.399 0.000 1.088 549 I CA 1.275 62.379 61.300 -0.326 0.000 1.357 549 I CB -0.212 37.619 38.000 -0.281 0.000 1.051 549 I HN 0.104 nan 8.210 nan 0.000 0.409 550 I N 0.756 121.010 120.570 -0.526 0.000 2.142 550 I HA -0.304 3.872 4.170 0.010 0.000 0.240 550 I C 2.795 178.503 176.117 -0.682 0.000 1.078 550 I CA 1.428 62.361 61.300 -0.612 0.000 1.343 550 I CB -0.543 37.066 38.000 -0.652 0.000 1.046 550 I HN 0.181 nan 8.210 nan 0.000 0.405 551 A N 0.291 122.548 122.820 -0.939 0.000 1.986 551 A HA -0.249 4.077 4.320 0.010 0.000 0.220 551 A C 2.077 179.482 177.584 -0.299 0.000 1.171 551 A CA 1.854 53.498 52.037 -0.654 0.000 0.640 551 A CB -0.632 18.052 19.000 -0.526 0.000 0.811 551 A HN 0.516 nan 8.150 nan 0.000 0.451 552 E N -1.066 118.974 120.200 -0.267 0.000 2.502 552 E HA 0.033 4.389 4.350 0.010 0.000 0.194 552 E C 0.064 176.560 176.600 -0.173 0.000 1.062 552 E CA 0.049 56.356 56.400 -0.155 0.000 0.867 552 E CB 0.141 29.775 29.700 -0.110 0.000 0.888 552 E HN 0.440 nan 8.360 nan 0.000 0.510 553 R N 1.082 121.399 120.500 -0.305 0.000 2.494 553 R HA 0.139 4.486 4.340 0.010 0.000 0.284 553 R C -2.057 173.924 176.300 -0.532 0.000 1.525 553 R CA -1.292 54.524 56.100 -0.475 0.000 1.460 553 R CB 0.974 30.817 30.300 -0.763 0.000 1.134 553 R HN -0.005 nan 8.270 nan 0.000 0.592 554 P HA -0.142 nan 4.420 nan 0.000 0.229 554 P C 0.909 178.160 177.300 -0.081 0.000 1.160 554 P CA 0.722 63.742 63.100 -0.134 0.000 0.777 554 P CB 0.034 31.686 31.700 -0.080 0.000 0.814 555 F N -0.629 119.269 119.950 -0.087 0.000 2.408 555 F HA 0.035 4.568 4.527 0.010 0.000 0.300 555 F C 0.611 176.387 175.800 -0.039 0.000 1.090 555 F CA -0.149 57.782 58.000 -0.116 0.000 1.427 555 F CB -1.662 37.050 39.000 -0.480 0.000 1.070 555 F HN -0.377 nan 8.300 nan 0.000 0.549 556 V N 4.180 123.806 119.914 -0.481 0.000 2.387 556 V HA -0.081 4.045 4.120 0.010 0.000 0.260 556 V C 1.080 177.095 176.094 -0.132 0.000 1.054 556 V CA -0.809 61.291 62.300 -0.334 0.000 0.967 556 V CB -0.296 31.212 31.823 -0.524 0.000 1.036 556 V HN 0.651 nan 8.190 nan 0.000 0.481 557 W N 4.066 125.373 121.300 0.012 0.000 2.519 557 W HA 0.327 4.993 4.660 0.010 0.000 0.266 557 W C 0.320 176.814 176.519 -0.042 0.000 1.253 557 W CA 0.510 57.888 57.345 0.054 0.000 1.274 557 W CB 0.040 29.583 29.460 0.138 0.000 1.114 557 W HN 0.607 nan 8.180 nan 0.000 0.596 558 G N 0.806 109.250 108.800 -0.593 0.000 2.702 558 G HA2 0.425 4.391 3.960 0.010 0.000 0.296 558 G HA3 0.425 4.391 3.960 0.010 0.000 0.296 558 G C -1.323 173.134 174.900 -0.739 0.000 1.463 558 G CA -0.317 44.394 45.100 -0.648 0.000 0.890 558 G HN 0.104 nan 8.290 nan 0.000 0.534 559 T N -1.449 112.670 114.554 -0.726 0.000 2.893 559 T HA 0.786 5.143 4.350 0.010 0.000 0.293 559 T C -1.301 173.067 174.700 -0.553 0.000 1.027 559 T CA -0.808 61.054 62.100 -0.396 0.000 0.988 559 T CB 1.733 70.522 68.868 -0.131 0.000 1.043 559 T HN 0.439 nan 8.240 nan 0.000 0.461 560 F N 1.187 121.217 119.950 0.133 0.000 2.539 560 F HA 0.495 5.028 4.527 0.010 0.000 0.328 560 F C -0.008 175.825 175.800 0.054 0.000 1.148 560 F CA -1.264 56.758 58.000 0.036 0.000 0.940 560 F CB 1.922 40.827 39.000 -0.159 0.000 1.194 560 F HN 0.415 nan 8.300 nan 0.000 0.438 561 V N 3.313 123.215 119.914 -0.020 0.000 2.599 561 V HA -0.148 3.978 4.120 0.010 0.000 0.300 561 V C -0.196 175.841 176.094 -0.096 0.000 1.034 561 V CA -0.197 61.880 62.300 -0.372 0.000 1.115 561 V CB 0.567 32.064 31.823 -0.543 0.000 0.934 561 V HN 0.776 nan 8.190 nan 0.000 0.485 562 W N 7.410 128.576 121.300 -0.224 0.000 2.311 562 W HA 0.367 5.032 4.660 0.008 0.000 0.317 562 W C -0.252 176.232 176.519 -0.058 0.000 1.065 562 W CA -0.375 56.928 57.345 -0.070 0.000 1.364 562 W CB 0.911 30.431 29.460 0.100 0.000 1.233 562 W HN 0.682 nan 8.180 nan 0.000 0.409 563 N N 4.383 122.861 118.700 -0.371 0.000 2.647 563 N HA 0.150 4.897 4.740 0.010 0.000 0.266 563 N C 0.508 175.743 175.510 -0.458 0.000 1.373 563 N CA -0.451 52.246 53.050 -0.588 0.000 0.807 563 N CB 1.758 39.722 38.487 -0.872 0.000 1.513 563 N HN 0.339 nan 8.380 nan 0.000 0.505 564 M N 0.776 120.063 119.600 -0.522 0.000 2.117 564 M HA 0.185 4.671 4.480 0.010 0.000 0.262 564 M C -0.719 175.036 176.300 -0.908 0.000 1.065 564 M CA 1.806 56.651 55.300 -0.759 0.000 1.114 564 M CB -0.172 31.863 32.600 -0.942 0.000 1.361 564 M HN 0.446 nan 8.290 nan 0.000 0.408 565 F N -0.052 119.824 119.950 -0.123 0.000 2.546 565 F HA 0.370 4.903 4.527 0.010 0.000 0.320 565 F C 0.123 175.936 175.800 0.021 0.000 1.076 565 F CA -1.960 56.021 58.000 -0.030 0.000 0.928 565 F CB 0.486 39.507 39.000 0.035 0.000 1.189 565 F HN -0.224 nan 8.300 nan 0.000 0.465 566 D N 1.979 122.485 120.400 0.176 0.000 2.478 566 D HA 0.216 4.862 4.640 0.010 0.000 0.234 566 D C -0.425 175.902 176.300 0.046 0.000 1.154 566 D CA 0.895 54.883 54.000 -0.018 0.000 0.874 566 D CB 0.328 41.082 40.800 -0.076 0.000 1.198 566 D HN 0.379 nan 8.370 nan 0.000 0.455 567 F N -2.164 117.585 119.950 -0.335 0.000 2.664 567 F HA 0.645 5.178 4.527 0.010 0.000 0.317 567 F C 0.145 175.553 175.800 -0.653 0.000 1.108 567 F CA -1.499 56.242 58.000 -0.433 0.000 0.957 567 F CB 0.777 39.722 39.000 -0.091 0.000 1.365 567 F HN 0.211 nan 8.300 nan 0.000 0.475 568 G N 0.298 108.946 108.800 -0.254 0.000 2.380 568 G HA2 0.550 4.516 3.960 0.010 0.000 0.262 568 G HA3 0.550 4.516 3.960 0.010 0.000 0.262 568 G C -1.106 173.727 174.900 -0.111 0.000 1.243 568 G CA -0.144 44.822 45.100 -0.224 0.000 0.865 568 G HN 1.309 nan 8.290 nan 0.000 0.513 569 A N 1.951 124.602 122.820 -0.280 0.000 2.684 569 A HA 0.673 4.999 4.320 0.010 0.000 0.289 569 A C 0.921 178.199 177.584 -0.510 0.000 1.139 569 A CA 0.332 52.157 52.037 -0.355 0.000 0.793 569 A CB 0.808 19.618 19.000 -0.317 0.000 1.334 569 A HN 1.607 nan 8.150 nan 0.000 0.408 570 A N 1.574 124.197 122.820 -0.329 0.000 1.986 570 A HA -0.180 4.146 4.320 0.010 0.000 0.220 570 A C 1.712 179.229 177.584 -0.113 0.000 1.171 570 A CA 1.995 53.953 52.037 -0.132 0.000 0.640 570 A CB -0.901 18.153 19.000 0.089 0.000 0.811 570 A HN 1.082 nan 8.150 nan 0.000 0.451 571 H N -1.380 117.685 119.070 -0.009 0.000 2.548 571 H HA 0.150 4.711 4.556 0.007 0.000 0.268 571 H C 0.200 175.514 175.328 -0.023 0.000 0.975 571 H CA 0.082 56.105 56.048 -0.041 0.000 1.195 571 H CB -0.321 29.340 29.762 -0.169 0.000 1.397 571 H HN 0.209 nan 8.280 nan 0.000 0.572 572 R N 2.296 122.624 120.500 -0.286 0.000 2.623 572 R HA 0.055 4.402 4.340 0.010 0.000 0.271 572 R C 0.241 176.511 176.300 -0.050 0.000 1.043 572 R CA 0.725 56.770 56.100 -0.091 0.000 1.083 572 R CB 0.248 30.461 30.300 -0.146 0.000 0.974 572 R HN 0.462 nan 8.270 nan 0.000 0.436 573 T N -0.772 113.707 114.554 -0.125 0.000 3.542 573 T HA 0.332 4.688 4.350 0.010 0.000 0.276 573 T C -0.262 173.772 174.700 -1.110 0.000 1.412 573 T CA -0.875 61.024 62.100 -0.335 0.000 1.664 573 T CB 0.029 68.832 68.868 -0.109 0.000 0.863 573 T HN 0.692 nan 8.240 nan 0.000 0.661 574 E N 0.212 119.951 120.200 -0.769 0.000 2.445 574 E HA 0.671 5.027 4.350 0.010 0.000 0.279 574 E C 0.439 176.842 176.600 -0.328 0.000 1.018 574 E CA -0.940 55.045 56.400 -0.692 0.000 0.816 574 E CB 0.952 30.494 29.700 -0.262 0.000 1.356 574 E HN 0.689 nan 8.360 nan 0.000 0.462 575 G N 1.982 110.415 108.800 -0.612 0.000 2.547 575 G HA2 -0.349 3.617 3.960 0.010 0.000 0.271 575 G HA3 -0.349 3.617 3.960 0.010 0.000 0.271 575 G C 0.263 175.320 174.900 0.262 0.000 1.209 575 G CA 0.725 45.634 45.100 -0.318 0.000 0.959 575 G HN 0.936 nan 8.290 nan 0.000 0.563 576 D N 0.590 121.064 120.400 0.124 0.000 2.349 576 D HA 0.221 4.867 4.640 0.010 0.000 0.214 576 D C 1.101 177.540 176.300 0.232 0.000 1.063 576 D CA 1.099 55.211 54.000 0.187 0.000 0.847 576 D CB -0.016 40.727 40.800 -0.096 0.000 0.933 576 D HN 1.077 nan 8.370 nan 0.000 0.513 577 R N -1.445 119.218 120.500 0.271 0.000 2.728 577 R HA 0.388 4.734 4.340 0.010 0.000 0.259 577 R C -3.392 173.094 176.300 0.309 0.000 1.057 577 R CA -1.423 54.821 56.100 0.241 0.000 0.908 577 R CB 0.160 30.536 30.300 0.127 0.000 1.259 577 R HN -0.234 nan 8.270 nan 0.000 0.472 578 P HA 0.129 nan 4.420 nan 0.000 0.272 578 P C 0.515 177.866 177.300 0.085 0.000 1.230 578 P CA 1.110 64.373 63.100 0.271 0.000 0.788 578 P CB 0.717 32.583 31.700 0.277 0.000 0.949 579 G N 0.240 109.037 108.800 -0.004 0.000 2.157 579 G HA2 -0.151 3.815 3.960 0.010 0.000 0.248 579 G HA3 -0.151 3.815 3.960 0.010 0.000 0.248 579 G C -0.131 174.644 174.900 -0.208 0.000 0.979 579 G CA -0.328 44.713 45.100 -0.098 0.000 0.650 579 G HN 0.480 nan 8.290 nan 0.000 0.529 580 I N 0.615 121.053 120.570 -0.220 0.000 2.533 580 I HA 0.341 4.517 4.170 0.010 0.000 0.290 580 I C -0.565 175.323 176.117 -0.382 0.000 1.056 580 I CA -1.448 59.634 61.300 -0.365 0.000 1.057 580 I CB 1.706 39.533 38.000 -0.289 0.000 1.240 580 I HN 0.094 nan 8.210 nan 0.000 0.423 581 N N 5.705 124.012 118.700 -0.655 0.000 2.420 581 N HA 0.063 4.809 4.740 0.010 0.000 0.249 581 N C -0.161 175.015 175.510 -0.558 0.000 1.033 581 N CA -0.132 52.529 53.050 -0.648 0.000 0.944 581 N CB 0.908 38.712 38.487 -1.139 0.000 1.113 581 N HN 0.469 nan 8.380 nan 0.000 0.502 582 D N 2.710 122.947 120.400 -0.272 0.000 2.561 582 D HA 0.060 4.706 4.640 0.010 0.000 0.232 582 D C 0.183 176.347 176.300 -0.226 0.000 1.198 582 D CA -0.051 53.828 54.000 -0.201 0.000 0.826 582 D CB -0.018 40.741 40.800 -0.068 0.000 0.992 582 D HN 0.430 nan 8.370 nan 0.000 0.490 583 K N 0.119 120.361 120.400 -0.264 0.000 2.458 583 K HA 0.163 4.489 4.320 0.010 0.000 0.194 583 K C 1.171 177.639 176.600 -0.221 0.000 1.024 583 K CA -0.123 55.999 56.287 -0.274 0.000 1.108 583 K CB 0.457 32.848 32.500 -0.181 0.000 0.846 583 K HN 0.214 nan 8.250 nan 0.000 0.518 584 G N 0.741 109.427 108.800 -0.190 0.000 2.491 584 G HA2 0.009 3.975 3.960 0.010 0.000 0.238 584 G HA3 0.009 3.975 3.960 0.010 0.000 0.238 584 G C 0.668 175.453 174.900 -0.192 0.000 1.277 584 G CA -0.421 44.572 45.100 -0.177 0.000 0.851 584 G HN 0.148 nan 8.290 nan 0.000 0.573 585 L N 0.817 121.887 121.223 -0.255 0.000 2.492 585 L HA 0.129 4.475 4.340 0.010 0.000 0.223 585 L C 0.310 177.091 176.870 -0.149 0.000 1.132 585 L CA 0.256 54.972 54.840 -0.206 0.000 0.850 585 L CB -0.254 41.648 42.059 -0.260 0.000 0.966 585 L HN 0.165 nan 8.230 nan 0.000 0.454 586 V N -1.333 118.486 119.914 -0.158 0.000 2.876 586 V HA 0.280 4.406 4.120 0.010 0.000 0.312 586 V C 0.228 176.360 176.094 0.063 0.000 1.085 586 V CA -0.898 61.359 62.300 -0.071 0.000 0.945 586 V CB 2.137 33.948 31.823 -0.021 0.000 1.017 586 V HN 0.189 nan 8.190 nan 0.000 0.428 587 T N -0.131 114.453 114.554 0.050 0.000 2.766 587 T HA 0.200 4.556 4.350 0.010 0.000 0.295 587 T C 0.928 175.749 174.700 0.202 0.000 1.024 587 T CA 0.051 62.202 62.100 0.086 0.000 1.018 587 T CB 0.354 69.238 68.868 0.026 0.000 1.002 587 T HN 0.420 nan 8.240 nan 0.000 0.532 588 F N 1.875 121.825 119.950 0.001 0.000 2.216 588 F HA -0.012 4.519 4.527 0.007 0.000 0.300 588 F C 1.762 177.514 175.800 -0.080 0.000 1.085 588 F CA 1.366 59.356 58.000 -0.017 0.000 1.326 588 F CB -0.730 38.257 39.000 -0.021 0.000 1.027 588 F HN 0.756 nan 8.300 nan 0.000 0.497 589 D N -1.274 119.095 120.400 -0.051 0.000 2.340 589 D HA -0.026 4.620 4.640 0.010 0.000 0.220 589 D C 0.955 177.164 176.300 -0.151 0.000 1.039 589 D CA 0.122 54.009 54.000 -0.189 0.000 0.866 589 D CB -0.309 40.429 40.800 -0.103 0.000 0.913 589 D HN 0.092 nan 8.370 nan 0.000 0.523 590 R N -1.089 119.359 120.500 -0.087 0.000 3.989 590 R HA -0.205 4.141 4.340 0.010 0.000 0.377 590 R C 1.155 177.430 176.300 -0.042 0.000 1.158 590 R CA 1.289 57.353 56.100 -0.061 0.000 1.035 590 R CB -2.547 27.645 30.300 -0.180 0.000 1.557 590 R HN 0.398 nan 8.270 nan 0.000 0.551 591 K N -0.269 120.109 120.400 -0.037 0.000 2.166 591 K HA 0.161 4.487 4.320 0.010 0.000 0.201 591 K C -0.092 176.480 176.600 -0.046 0.000 1.052 591 K CA 1.185 57.451 56.287 -0.035 0.000 0.969 591 K CB 0.650 33.140 32.500 -0.017 0.000 0.761 591 K HN 0.013 nan 8.250 nan 0.000 0.459 592 V N 2.444 122.326 119.914 -0.054 0.000 2.487 592 V HA 0.333 4.459 4.120 0.010 0.000 0.298 592 V C -0.773 175.245 176.094 -0.126 0.000 1.028 592 V CA -0.860 61.399 62.300 -0.068 0.000 0.860 592 V CB 1.546 33.335 31.823 -0.057 0.000 0.991 592 V HN 0.166 nan 8.190 nan 0.000 0.427 593 R N 3.609 123.996 120.500 -0.189 0.000 2.254 593 R HA 0.460 4.806 4.340 0.010 0.000 0.318 593 R C -0.140 176.119 176.300 -0.069 0.000 1.031 593 R CA -0.511 55.365 56.100 -0.373 0.000 0.905 593 R CB 1.165 30.916 30.300 -0.915 0.000 1.050 593 R HN 0.598 nan 8.270 nan 0.000 0.456 594 K N 1.512 121.884 120.400 -0.047 0.000 2.138 594 K HA 0.033 4.359 4.320 0.010 0.000 0.251 594 K C 0.318 177.038 176.600 0.200 0.000 1.015 594 K CA -0.708 55.618 56.287 0.065 0.000 0.917 594 K CB 0.618 33.118 32.500 0.001 0.000 1.021 594 K HN 0.447 nan 8.250 nan 0.000 0.485 595 D N 1.103 121.673 120.400 0.283 0.000 2.158 595 D HA -0.180 4.467 4.640 0.010 0.000 0.197 595 D C 1.712 178.204 176.300 0.320 0.000 0.995 595 D CA 1.509 55.788 54.000 0.464 0.000 0.846 595 D CB -0.269 40.825 40.800 0.490 0.000 0.941 595 D HN 0.636 nan 8.370 nan 0.000 0.456 596 A N 0.270 123.166 122.820 0.128 0.000 1.940 596 A HA -0.198 4.128 4.320 0.010 0.000 0.219 596 A C 2.116 179.635 177.584 -0.108 0.000 1.176 596 A CA 1.137 53.140 52.037 -0.056 0.000 0.631 596 A CB -1.097 17.845 19.000 -0.097 0.000 0.814 596 A HN 0.317 nan 8.150 nan 0.000 0.446 597 F N -0.634 119.166 119.950 -0.250 0.000 2.120 597 F HA -0.276 4.257 4.527 0.011 0.000 0.300 597 F C 2.021 177.501 175.800 -0.532 0.000 1.095 597 F CA 2.106 59.852 58.000 -0.424 0.000 1.249 597 F CB -0.269 38.406 39.000 -0.542 0.000 0.995 597 F HN 0.321 nan 8.300 nan 0.000 0.480 598 Y N -1.353 118.869 120.300 -0.129 0.000 2.395 598 Y HA -0.114 4.442 4.550 0.010 0.000 0.293 598 Y C 2.120 177.748 175.900 -0.455 0.000 1.123 598 Y CA 1.259 59.198 58.100 -0.269 0.000 1.227 598 Y CB -0.946 37.232 38.460 -0.469 0.000 1.012 598 Y HN 0.230 nan 8.280 nan 0.000 0.552 599 F N -0.470 118.998 119.950 -0.804 0.000 2.126 599 F HA -0.306 4.228 4.527 0.010 0.000 0.299 599 F C 1.747 176.923 175.800 -1.039 0.000 1.096 599 F CA 1.630 58.788 58.000 -1.405 0.000 1.255 599 F CB -0.780 37.297 39.000 -1.537 0.000 0.997 599 F HN 0.050 nan 8.300 nan 0.000 0.479 600 Y N 0.257 119.928 120.300 -1.048 0.000 2.220 600 Y HA -0.160 4.396 4.550 0.010 0.000 0.291 600 Y C 2.625 177.814 175.900 -1.184 0.000 1.129 600 Y CA 1.597 58.789 58.100 -1.512 0.000 1.161 600 Y CB -0.470 36.986 38.460 -1.674 0.000 0.997 600 Y HN 0.019 nan 8.280 nan 0.000 0.522 601 K N 0.552 120.490 120.400 -0.771 0.000 2.063 601 K HA -0.212 4.114 4.320 0.010 0.000 0.208 601 K C 2.219 178.613 176.600 -0.343 0.000 1.048 601 K CA 1.249 57.207 56.287 -0.547 0.000 0.928 601 K CB -0.290 31.890 32.500 -0.533 0.000 0.713 601 K HN 0.263 nan 8.250 nan 0.000 0.442 602 A N 1.130 123.742 122.820 -0.346 0.000 1.969 602 A HA -0.125 4.201 4.320 0.010 0.000 0.218 602 A C 1.723 179.147 177.584 -0.266 0.000 1.169 602 A CA 1.507 53.417 52.037 -0.212 0.000 0.635 602 A CB -0.353 18.574 19.000 -0.122 0.000 0.810 602 A HN 0.386 nan 8.150 nan 0.000 0.445 603 N N -2.110 116.300 118.700 -0.483 0.000 2.405 603 N HA -0.044 4.702 4.740 0.010 0.000 0.175 603 N C 0.937 176.409 175.510 -0.064 0.000 1.051 603 N CA 0.696 53.524 53.050 -0.370 0.000 0.899 603 N CB 0.032 38.081 38.487 -0.731 0.000 1.000 603 N HN 0.676 nan 8.380 nan 0.000 0.451 604 W N 0.526 121.593 121.300 -0.387 0.000 2.915 604 W HA 0.307 4.973 4.660 0.010 0.000 0.276 604 W C 0.584 176.998 176.519 -0.175 0.000 1.215 604 W CA -0.272 56.898 57.345 -0.293 0.000 1.514 604 W CB -0.514 28.705 29.460 -0.402 0.000 1.017 604 W HN -0.120 nan 8.180 nan 0.000 0.598 605 N N 1.026 119.739 118.700 0.021 0.000 3.012 605 N HA 0.106 4.852 4.740 0.010 0.000 0.270 605 N C 0.604 176.105 175.510 -0.016 0.000 1.469 605 N CA 0.168 53.211 53.050 -0.011 0.000 0.928 605 N CB 0.208 38.664 38.487 -0.051 0.000 1.219 605 N HN -0.047 nan 8.380 nan 0.000 0.492 606 K N -0.049 120.350 120.400 -0.002 0.000 2.486 606 K HA -0.017 4.309 4.320 0.010 0.000 0.194 606 K C 1.154 177.755 176.600 0.002 0.000 1.033 606 K CA 0.613 56.899 56.287 -0.003 0.000 1.004 606 K CB 0.380 32.882 32.500 0.002 0.000 0.798 606 K HN 0.546 nan 8.250 nan 0.000 0.495 607 Q N 0.649 120.449 119.800 0.001 0.000 2.247 607 Q HA 0.061 4.407 4.340 0.010 0.000 0.204 607 Q C -0.246 175.760 176.000 0.011 0.000 0.872 607 Q CA 0.189 55.995 55.803 0.005 0.000 0.951 607 Q CB 0.357 29.095 28.738 -0.000 0.000 1.099 607 Q HN 0.177 nan 8.270 nan 0.000 0.501 608 E N 2.306 122.515 120.200 0.015 0.000 2.114 608 E HA 0.348 4.705 4.350 0.010 0.000 0.266 608 E C -2.459 174.164 176.600 0.038 0.000 0.896 608 E CA -2.410 54.006 56.400 0.027 0.000 0.750 608 E CB 1.281 30.998 29.700 0.029 0.000 1.121 608 E HN -0.001 nan 8.360 nan 0.000 0.413 609 P HA 0.070 nan 4.420 nan 0.000 0.268 609 P C -0.694 176.650 177.300 0.072 0.000 1.205 609 P CA 0.347 63.477 63.100 0.051 0.000 0.771 609 P CB 0.404 32.131 31.700 0.045 0.000 0.858 610 M N 1.629 121.282 119.600 0.089 0.000 2.562 610 M HA 0.638 5.125 4.480 0.010 0.000 0.281 610 M C -1.820 174.562 176.300 0.136 0.000 1.195 610 M CA -0.929 54.445 55.300 0.123 0.000 0.888 610 M CB 2.285 34.978 32.600 0.156 0.000 1.731 610 M HN 0.184 nan 8.290 nan 0.000 0.493 611 I N 1.839 122.497 120.570 0.148 0.000 2.686 611 I HA 0.694 4.871 4.170 0.010 0.000 0.295 611 I C -2.331 173.898 176.117 0.186 0.000 1.114 611 I CA -0.610 60.788 61.300 0.163 0.000 1.038 611 I CB 2.382 40.455 38.000 0.122 0.000 1.238 611 I HN 0.882 nan 8.210 nan 0.000 0.420 612 Y N 7.534 127.849 120.300 0.024 0.000 2.354 612 Y HA 0.519 5.075 4.550 0.010 0.000 0.330 612 Y C -1.694 174.136 175.900 -0.117 0.000 1.011 612 Y CA -0.930 57.112 58.100 -0.097 0.000 1.099 612 Y CB 1.656 40.017 38.460 -0.165 0.000 1.179 612 Y HN 0.558 nan 8.280 nan 0.000 0.442 613 L N 6.391 127.299 121.223 -0.524 0.000 2.313 613 L HA 0.707 5.053 4.340 0.010 0.000 0.282 613 L C -0.005 176.476 176.870 -0.648 0.000 1.092 613 L CA 0.093 54.676 54.840 -0.429 0.000 0.831 613 L CB 0.107 41.983 42.059 -0.305 0.000 1.159 613 L HN 0.765 nan 8.230 nan 0.000 0.442 614 A N 3.971 126.573 122.820 -0.364 0.000 2.366 614 A HA 0.397 4.723 4.320 0.010 0.000 0.249 614 A C 0.643 178.187 177.584 -0.067 0.000 1.084 614 A CA 0.232 52.173 52.037 -0.160 0.000 0.794 614 A CB -0.106 18.802 19.000 -0.154 0.000 1.034 614 A HN 0.934 nan 8.150 nan 0.000 0.491 615 E N -0.666 119.551 120.200 0.029 0.000 3.070 615 E HA -0.230 4.126 4.350 0.010 0.000 0.285 615 E C 0.689 177.308 176.600 0.031 0.000 0.972 615 E CA 1.019 57.448 56.400 0.048 0.000 0.915 615 E CB -1.462 28.261 29.700 0.039 0.000 1.466 615 E HN 0.760 nan 8.360 nan 0.000 0.432 616 K N 0.351 120.735 120.400 -0.027 0.000 2.209 616 K HA -0.079 4.247 4.320 0.010 0.000 0.204 616 K C 1.885 178.500 176.600 0.025 0.000 1.048 616 K CA 0.846 57.117 56.287 -0.026 0.000 0.940 616 K CB -0.075 32.357 32.500 -0.114 0.000 0.729 616 K HN 0.190 nan 8.250 nan 0.000 0.451 617 R N 0.097 120.626 120.500 0.049 0.000 2.236 617 R HA 0.010 4.357 4.340 0.010 0.000 0.208 617 R C 0.834 177.193 176.300 0.098 0.000 1.036 617 R CA 0.182 56.325 56.100 0.072 0.000 1.001 617 R CB -0.030 30.310 30.300 0.067 0.000 0.896 617 R HN 0.065 nan 8.270 nan 0.000 0.464 618 C N 1.888 121.246 119.300 0.096 0.000 2.365 618 C HA 0.211 4.677 4.460 0.010 0.000 0.412 618 C C 1.509 176.556 174.990 0.096 0.000 1.023 618 C CA -0.501 58.585 59.018 0.114 0.000 1.287 618 C CB -1.035 26.772 27.740 0.112 0.000 1.675 618 C HN 0.428 nan 8.230 nan 0.000 0.520 619 R N 2.196 122.753 120.500 0.094 0.000 2.200 619 R HA 0.170 4.516 4.340 0.010 0.000 0.208 619 R C -0.001 176.324 176.300 0.041 0.000 1.033 619 R CA 0.669 56.810 56.100 0.068 0.000 1.000 619 R CB 0.107 30.447 30.300 0.066 0.000 0.906 619 R HN 0.600 nan 8.270 nan 0.000 0.462 620 L N 2.037 123.282 121.223 0.037 0.000 2.287 620 L HA 0.411 4.757 4.340 0.010 0.000 0.287 620 L C -0.244 176.533 176.870 -0.156 0.000 1.022 620 L CA -0.793 53.995 54.840 -0.085 0.000 0.814 620 L CB 1.263 43.296 42.059 -0.043 0.000 1.217 620 L HN -0.151 nan 8.230 nan 0.000 0.420 621 R N 2.520 122.871 120.500 -0.248 0.000 2.637 621 R HA 0.378 4.725 4.340 0.010 0.000 0.291 621 R C -0.603 175.508 176.300 -0.315 0.000 0.963 621 R CA -0.581 55.457 56.100 -0.103 0.000 0.901 621 R CB 1.671 32.041 30.300 0.115 0.000 1.160 621 R HN 0.515 nan 8.270 nan 0.000 0.457 622 Y N -0.636 119.744 120.300 0.133 0.000 2.585 622 Y HA 0.157 4.713 4.550 0.010 0.000 0.272 622 Y C 0.598 176.606 175.900 0.180 0.000 1.119 622 Y CA -0.171 57.966 58.100 0.062 0.000 1.255 622 Y CB 0.599 39.065 38.460 0.011 0.000 1.284 622 Y HN 0.216 nan 8.280 nan 0.000 0.499 623 Q N 2.520 122.508 119.800 0.313 0.000 2.300 623 Q HA 0.043 4.389 4.340 0.010 0.000 0.280 623 Q C -1.795 174.358 176.000 0.254 0.000 1.033 623 Q CA -1.093 54.840 55.803 0.218 0.000 0.903 623 Q CB 0.703 29.510 28.738 0.115 0.000 1.195 623 Q HN 0.186 nan 8.270 nan 0.000 0.386 624 P HA -0.093 nan 4.420 nan 0.000 0.216 624 P C -0.206 177.103 177.300 0.015 0.000 1.153 624 P CA 1.206 64.397 63.100 0.152 0.000 0.844 624 P CB 0.439 32.217 31.700 0.129 0.000 0.787 625 E N 1.075 121.289 120.200 0.025 0.000 2.014 625 E HA 0.157 4.513 4.350 0.010 0.000 0.275 625 E C 0.068 176.650 176.600 -0.029 0.000 0.997 625 E CA -0.145 56.252 56.400 -0.005 0.000 0.804 625 E CB 0.406 30.113 29.700 0.012 0.000 1.090 625 E HN 0.289 nan 8.360 nan 0.000 0.401 626 Q N 1.276 121.036 119.800 -0.067 0.000 2.259 626 Q HA 0.292 4.638 4.340 0.010 0.000 0.249 626 Q C -0.140 175.762 176.000 -0.163 0.000 0.914 626 Q CA 0.013 55.717 55.803 -0.166 0.000 0.904 626 Q CB 1.376 29.977 28.738 -0.229 0.000 1.213 626 Q HN 0.246 nan 8.270 nan 0.000 0.428 627 T N 2.871 117.261 114.554 -0.273 0.000 2.797 627 T HA 0.593 4.949 4.350 0.010 0.000 0.279 627 T C -0.625 173.842 174.700 -0.388 0.000 0.991 627 T CA -0.309 61.694 62.100 -0.162 0.000 0.979 627 T CB 0.299 69.124 68.868 -0.072 0.000 0.943 627 T HN 0.219 nan 8.240 nan 0.000 0.444 628 F N 2.190 122.227 119.950 0.144 0.000 2.522 628 F HA 0.704 5.237 4.527 0.010 0.000 0.324 628 F C 0.153 176.107 175.800 0.256 0.000 1.077 628 F CA -1.139 56.949 58.000 0.147 0.000 0.944 628 F CB 2.010 41.048 39.000 0.063 0.000 1.175 628 F HN 0.281 nan 8.300 nan 0.000 0.468 629 M N 2.692 122.472 119.600 0.300 0.000 2.326 629 M HA 0.794 5.280 4.480 0.010 0.000 0.292 629 M C -1.807 174.470 176.300 -0.039 0.000 1.081 629 M CA -0.358 55.008 55.300 0.109 0.000 0.919 629 M CB 1.738 34.325 32.600 -0.021 0.000 1.634 629 M HN 0.713 nan 8.290 nan 0.000 0.451 630 A N 3.692 126.492 122.820 -0.032 0.000 2.401 630 A HA 0.888 5.214 4.320 0.010 0.000 0.310 630 A C -1.825 175.655 177.584 -0.173 0.000 1.075 630 A CA -0.486 51.476 52.037 -0.124 0.000 0.746 630 A CB 1.046 20.153 19.000 0.178 0.000 1.277 630 A HN 0.707 nan 8.150 nan 0.000 0.425 631 F N 0.617 120.710 119.950 0.237 0.000 2.436 631 F HA 0.788 5.321 4.527 0.010 0.000 0.340 631 F C 0.775 176.662 175.800 0.146 0.000 1.113 631 F CA -0.392 57.718 58.000 0.182 0.000 1.022 631 F CB 2.235 41.355 39.000 0.200 0.000 1.128 631 F HN 0.554 nan 8.300 nan 0.000 0.466 632 T N -0.467 114.244 114.554 0.260 0.000 2.853 632 T HA 0.349 4.706 4.350 0.010 0.000 0.311 632 T C 0.529 175.289 174.700 0.100 0.000 1.307 632 T CA -0.172 62.028 62.100 0.167 0.000 1.019 632 T CB 1.352 70.305 68.868 0.143 0.000 1.264 632 T HN 0.713 nan 8.240 nan 0.000 0.497 633 T N 0.416 115.015 114.554 0.075 0.000 3.100 633 T HA 0.503 4.859 4.350 0.010 0.000 0.253 633 T C 0.983 175.707 174.700 0.039 0.000 1.118 633 T CA 0.323 62.447 62.100 0.040 0.000 1.058 633 T CB -0.105 68.784 68.868 0.034 0.000 0.953 633 T HN 0.802 nan 8.240 nan 0.000 0.515 634 A N 2.993 125.846 122.820 0.054 0.000 2.332 634 A HA 0.555 4.881 4.320 0.010 0.000 0.258 634 A C -0.820 176.785 177.584 0.035 0.000 1.087 634 A CA -1.563 50.502 52.037 0.046 0.000 0.802 634 A CB 0.464 19.501 19.000 0.061 0.000 1.042 634 A HN 0.206 nan 8.150 nan 0.000 0.489 635 P HA 0.011 nan 4.420 nan 0.000 0.231 635 P C -0.014 177.290 177.300 0.006 0.000 1.168 635 P CA 1.056 64.162 63.100 0.011 0.000 0.779 635 P CB 0.135 31.840 31.700 0.007 0.000 0.844 636 E N -1.488 118.726 120.200 0.022 0.000 2.447 636 E HA 0.731 5.087 4.350 0.010 0.000 0.279 636 E C -1.740 174.903 176.600 0.071 0.000 1.053 636 E CA -1.288 55.124 56.400 0.019 0.000 0.840 636 E CB 1.320 31.029 29.700 0.015 0.000 1.409 636 E HN -0.087 nan 8.360 nan 0.000 0.461 637 A N 0.454 123.344 122.820 0.117 0.000 2.609 637 A HA 0.640 4.966 4.320 0.010 0.000 0.291 637 A C -1.589 176.239 177.584 0.407 0.000 1.096 637 A CA -0.644 51.546 52.037 0.255 0.000 0.684 637 A CB 2.110 21.319 19.000 0.348 0.000 1.282 637 A HN 0.648 nan 8.150 nan 0.000 0.412 638 E N 0.305 120.689 120.200 0.306 0.000 2.199 638 E HA 0.562 4.918 4.350 0.010 0.000 0.269 638 E C -1.718 174.739 176.600 -0.239 0.000 0.899 638 E CA -0.649 55.809 56.400 0.097 0.000 0.772 638 E CB 1.608 31.269 29.700 -0.066 0.000 1.155 638 E HN 0.617 nan 8.360 nan 0.000 0.408 639 L N 4.687 125.490 121.223 -0.700 0.000 2.309 639 L HA 0.553 4.899 4.340 0.010 0.000 0.282 639 L C -1.702 174.616 176.870 -0.919 0.000 1.036 639 L CA -0.038 54.157 54.840 -1.074 0.000 0.806 639 L CB 0.656 41.573 42.059 -1.903 0.000 1.220 639 L HN 0.491 nan 8.230 nan 0.000 0.429 640 F N 3.946 123.628 119.950 -0.447 0.000 2.532 640 F HA 0.675 5.209 4.527 0.010 0.000 0.321 640 F C -0.410 175.181 175.800 -0.349 0.000 1.089 640 F CA -0.889 56.924 58.000 -0.313 0.000 0.926 640 F CB 2.151 41.018 39.000 -0.222 0.000 1.168 640 F HN 0.083 nan 8.300 nan 0.000 0.459 641 V N 2.974 122.818 119.914 -0.117 0.000 2.483 641 V HA 0.300 4.426 4.120 0.010 0.000 0.297 641 V C -0.350 175.698 176.094 -0.076 0.000 1.027 641 V CA -1.271 60.933 62.300 -0.159 0.000 0.855 641 V CB 1.433 33.139 31.823 -0.195 0.000 0.995 641 V HN 0.866 nan 8.190 nan 0.000 0.424 642 N N 3.935 122.590 118.700 -0.075 0.000 2.721 642 N HA -0.223 4.523 4.740 0.010 0.000 0.249 642 N C 1.185 176.678 175.510 -0.029 0.000 1.072 642 N CA 1.530 54.550 53.050 -0.049 0.000 0.710 642 N CB -1.006 37.457 38.487 -0.040 0.000 0.993 642 N HN 1.585 nan 8.380 nan 0.000 0.547 643 G N -2.870 105.918 108.800 -0.019 0.000 2.179 643 G HA2 -0.310 3.656 3.960 0.010 0.000 0.260 643 G HA3 -0.310 3.656 3.960 0.010 0.000 0.260 643 G C -0.052 174.900 174.900 0.086 0.000 0.977 643 G CA 0.379 45.472 45.100 -0.011 0.000 0.641 643 G HN 0.512 nan 8.290 nan 0.000 0.533 644 V N 1.085 121.063 119.914 0.107 0.000 2.448 644 V HA 0.694 4.820 4.120 0.010 0.000 0.295 644 V C 0.886 177.018 176.094 0.064 0.000 1.025 644 V CA -0.105 62.256 62.300 0.101 0.000 0.859 644 V CB 1.642 33.474 31.823 0.016 0.000 0.988 644 V HN 0.556 nan 8.190 nan 0.000 0.431 645 S N 2.859 118.568 115.700 0.015 0.000 2.549 645 S HA 0.003 4.479 4.470 0.010 0.000 0.286 645 S C 0.943 175.356 174.600 -0.312 0.000 1.314 645 S CA -0.349 57.590 58.200 -0.435 0.000 1.062 645 S CB 0.202 63.148 63.200 -0.423 0.000 0.865 645 S HN 0.885 nan 8.310 nan 0.000 0.498 646 C N 4.401 123.456 119.300 -0.408 0.000 2.791 646 C HA 0.572 5.039 4.460 0.010 0.000 0.270 646 C C 1.321 176.225 174.990 -0.143 0.000 1.257 646 C CA 0.067 58.940 59.018 -0.240 0.000 1.699 646 C CB -1.740 25.837 27.740 -0.272 0.000 1.904 646 C HN 1.216 nan 8.230 nan 0.000 0.603 647 G N 1.013 109.687 108.800 -0.210 0.000 2.661 647 G HA2 -0.051 3.915 3.960 0.010 0.000 0.685 647 G HA3 -0.051 3.915 3.960 0.010 0.000 0.685 647 G C -1.071 173.888 174.900 0.100 0.000 1.298 647 G CA -0.947 44.118 45.100 -0.058 0.000 0.855 647 G HN 0.370 nan 8.290 nan 0.000 0.560 648 K N 0.504 120.970 120.400 0.109 0.000 2.118 648 K HA 0.622 4.948 4.320 0.010 0.000 0.267 648 K C -0.039 176.630 176.600 0.115 0.000 0.991 648 K CA -0.636 55.752 56.287 0.169 0.000 0.916 648 K CB 1.229 33.775 32.500 0.077 0.000 1.041 648 K HN 0.457 nan 8.250 nan 0.000 0.455 649 Q N 1.514 121.317 119.800 0.004 0.000 2.423 649 Q HA 0.301 4.647 4.340 0.010 0.000 0.278 649 Q C -1.021 174.854 176.000 -0.209 0.000 1.097 649 Q CA -0.751 54.891 55.803 -0.269 0.000 0.809 649 Q CB 2.497 30.744 28.738 -0.818 0.000 1.391 649 Q HN 0.413 nan 8.270 nan 0.000 0.428 650 K N 0.543 120.840 120.400 -0.171 0.000 2.185 650 K HA 0.526 4.852 4.320 0.010 0.000 0.271 650 K C -0.277 176.248 176.600 -0.125 0.000 1.013 650 K CA -0.276 55.947 56.287 -0.106 0.000 0.943 650 K CB 1.074 33.531 32.500 -0.071 0.000 0.998 650 K HN 0.631 nan 8.250 nan 0.000 0.468 651 A N 2.837 125.614 122.820 -0.071 0.000 2.440 651 A HA 0.054 4.381 4.320 0.010 0.000 0.251 651 A C -0.037 177.534 177.584 -0.022 0.000 1.089 651 A CA -0.469 51.545 52.037 -0.037 0.000 0.779 651 A CB 0.069 19.069 19.000 -0.000 0.000 1.022 651 A HN 0.828 nan 8.150 nan 0.000 0.492 652 D N 0.630 121.036 120.400 0.010 0.000 2.440 652 D HA 0.148 4.794 4.640 0.010 0.000 0.269 652 D C 1.345 177.640 176.300 -0.008 0.000 1.249 652 D CA 0.416 54.430 54.000 0.023 0.000 1.055 652 D CB -0.460 40.388 40.800 0.081 0.000 1.104 652 D HN 0.467 nan 8.370 nan 0.000 0.561 653 T N -3.612 110.900 114.554 -0.069 0.000 3.007 653 T HA -0.144 4.212 4.350 0.010 0.000 0.270 653 T C 0.901 175.337 174.700 -0.440 0.000 1.107 653 T CA 0.817 62.755 62.100 -0.269 0.000 1.118 653 T CB -0.643 67.991 68.868 -0.390 0.000 0.889 653 T HN 0.420 nan 8.240 nan 0.000 0.506 654 Y N 1.240 121.584 120.300 0.073 0.000 2.708 654 Y HA 0.509 5.065 4.550 0.011 0.000 0.287 654 Y C 1.118 177.033 175.900 0.025 0.000 1.145 654 Y CA -1.056 57.093 58.100 0.081 0.000 1.249 654 Y CB -0.291 38.310 38.460 0.235 0.000 1.152 654 Y HN 0.154 nan 8.280 nan 0.000 0.532 655 S N 0.053 115.803 115.700 0.084 0.000 3.561 655 S HA -0.177 4.299 4.470 0.010 0.000 0.318 655 S C 0.365 175.090 174.600 0.209 0.000 1.181 655 S CA 1.169 59.414 58.200 0.074 0.000 0.916 655 S CB -1.857 61.327 63.200 -0.028 0.000 0.966 655 S HN 0.659 nan 8.310 nan 0.000 0.550 656 T N -1.570 113.134 114.554 0.249 0.000 2.797 656 T HA 0.729 5.085 4.350 0.010 0.000 0.279 656 T C -0.257 174.489 174.700 0.077 0.000 0.991 656 T CA -0.757 61.520 62.100 0.294 0.000 0.979 656 T CB 1.945 71.066 68.868 0.421 0.000 0.943 656 T HN 0.082 nan 8.240 nan 0.000 0.444 657 V N 3.490 123.386 119.914 -0.031 0.000 2.459 657 V HA 0.667 4.793 4.120 0.010 0.000 0.295 657 V C -0.354 175.494 176.094 -0.409 0.000 1.029 657 V CA -0.728 61.388 62.300 -0.307 0.000 0.874 657 V CB 1.703 33.276 31.823 -0.416 0.000 0.985 657 V HN 0.907 nan 8.190 nan 0.000 0.438 658 V N 3.525 123.131 119.914 -0.514 0.000 2.638 658 V HA 0.521 4.647 4.120 0.010 0.000 0.306 658 V C -1.040 174.831 176.094 -0.371 0.000 1.052 658 V CA -0.644 61.488 62.300 -0.280 0.000 0.885 658 V CB 2.296 34.064 31.823 -0.092 0.000 0.999 658 V HN 0.828 nan 8.190 nan 0.000 0.424 659 W N 3.501 124.834 121.300 0.055 0.000 2.587 659 W HA 0.609 5.275 4.660 0.010 0.000 0.324 659 W C -0.244 176.309 176.519 0.057 0.000 1.040 659 W CA -0.920 56.458 57.345 0.055 0.000 1.222 659 W CB 2.239 31.742 29.460 0.073 0.000 1.381 659 W HN 0.404 nan 8.180 nan 0.000 0.483 660 K N 1.259 121.790 120.400 0.219 0.000 2.281 660 K HA 0.272 4.598 4.320 0.010 0.000 0.242 660 K C -0.047 176.620 176.600 0.111 0.000 0.971 660 K CA -1.002 55.360 56.287 0.126 0.000 0.834 660 K CB 1.582 34.122 32.500 0.066 0.000 1.181 660 K HN 0.472 nan 8.250 nan 0.000 0.435 661 N N -0.585 118.155 118.700 0.068 0.000 2.740 661 N HA -0.166 4.580 4.740 0.010 0.000 0.248 661 N C -0.957 174.585 175.510 0.054 0.000 1.062 661 N CA 0.189 53.267 53.050 0.046 0.000 0.704 661 N CB -1.221 37.289 38.487 0.039 0.000 0.968 661 N HN 0.146 nan 8.380 nan 0.000 0.547 662 V N 0.186 120.152 119.914 0.085 0.000 2.555 662 V HA 0.148 4.274 4.120 0.010 0.000 0.286 662 V C 0.754 176.861 176.094 0.022 0.000 1.044 662 V CA -0.017 62.342 62.300 0.098 0.000 1.026 662 V CB 1.318 33.301 31.823 0.266 0.000 0.981 662 V HN 0.070 nan 8.190 nan 0.000 0.480 663 K N 5.702 126.087 120.400 -0.025 0.000 2.253 663 K HA 0.551 4.878 4.320 0.010 0.000 0.277 663 K C -0.622 175.895 176.600 -0.139 0.000 1.053 663 K CA -0.183 56.046 56.287 -0.096 0.000 0.892 663 K CB 1.403 33.864 32.500 -0.065 0.000 1.102 663 K HN 0.513 nan 8.250 nan 0.000 0.469 664 L N 0.974 122.018 121.223 -0.297 0.000 2.375 664 L HA 0.400 4.746 4.340 0.010 0.000 0.268 664 L C 0.906 177.633 176.870 -0.238 0.000 1.058 664 L CA -0.745 53.923 54.840 -0.286 0.000 0.803 664 L CB 1.602 43.423 42.059 -0.396 0.000 1.212 664 L HN 0.463 nan 8.230 nan 0.000 0.451 665 T N 0.191 114.712 114.554 -0.055 0.000 2.907 665 T HA 0.159 4.515 4.350 0.010 0.000 0.284 665 T C 0.150 174.979 174.700 0.214 0.000 1.004 665 T CA -0.368 61.764 62.100 0.054 0.000 1.063 665 T CB 1.237 70.123 68.868 0.031 0.000 0.992 665 T HN 0.627 nan 8.240 nan 0.000 0.483 666 S N 3.009 118.871 115.700 0.269 0.000 2.563 666 S HA 0.480 4.956 4.470 0.010 0.000 0.294 666 S C 0.909 175.583 174.600 0.123 0.000 1.279 666 S CA 1.002 59.346 58.200 0.240 0.000 1.069 666 S CB -1.160 62.107 63.200 0.111 0.000 0.828 666 S HN 1.675 nan 8.310 nan 0.000 0.497 667 G N 4.050 112.898 108.800 0.079 0.000 2.482 667 G HA2 -0.151 3.815 3.960 0.010 0.000 0.214 667 G HA3 -0.151 3.815 3.960 0.010 0.000 0.214 667 G C -0.845 174.089 174.900 0.055 0.000 1.271 667 G CA -0.301 44.823 45.100 0.040 0.000 0.944 667 G HN 0.841 nan 8.290 nan 0.000 0.568 668 E N 1.319 121.538 120.200 0.031 0.000 2.384 668 E HA 0.288 4.644 4.350 0.010 0.000 0.266 668 E C -0.118 176.496 176.600 0.023 0.000 1.012 668 E CA 0.076 56.490 56.400 0.024 0.000 0.901 668 E CB 0.347 30.052 29.700 0.009 0.000 0.967 668 E HN 0.408 nan 8.360 nan 0.000 0.435 669 N N 3.104 121.815 118.700 0.018 0.000 2.249 669 N HA 0.341 5.087 4.740 0.010 0.000 0.296 669 N C -0.794 174.693 175.510 -0.038 0.000 1.051 669 N CA -0.518 52.527 53.050 -0.008 0.000 0.815 669 N CB 1.781 40.269 38.487 0.002 0.000 1.487 669 N HN 0.276 nan 8.380 nan 0.000 0.475 670 I N 2.957 123.487 120.570 -0.066 0.000 2.315 670 I HA 0.348 4.524 4.170 0.010 0.000 0.291 670 I C -0.146 175.880 176.117 -0.152 0.000 1.006 670 I CA -0.536 60.709 61.300 -0.092 0.000 1.265 670 I CB 0.903 38.854 38.000 -0.081 0.000 1.387 670 I HN 0.244 nan 8.210 nan 0.000 0.475 671 I N 6.724 127.173 120.570 -0.201 0.000 2.378 671 I HA 0.487 4.663 4.170 0.010 0.000 0.291 671 I C -0.148 175.803 176.117 -0.277 0.000 0.992 671 I CA -0.509 60.580 61.300 -0.351 0.000 1.154 671 I CB 1.501 39.170 38.000 -0.551 0.000 1.315 671 I HN 0.680 nan 8.210 nan 0.000 0.448 672 R N 5.569 125.921 120.500 -0.246 0.000 2.621 672 R HA 0.771 5.117 4.340 0.010 0.000 0.284 672 R C -1.615 174.615 176.300 -0.116 0.000 0.998 672 R CA -0.548 55.460 56.100 -0.154 0.000 0.895 672 R CB 2.429 32.652 30.300 -0.128 0.000 1.195 672 R HN 0.491 nan 8.270 nan 0.000 0.450 673 V N -0.043 119.808 119.914 -0.105 0.000 2.680 673 V HA 0.789 4.916 4.120 0.010 0.000 0.309 673 V C -0.811 175.319 176.094 0.061 0.000 1.052 673 V CA -0.470 61.797 62.300 -0.056 0.000 0.908 673 V CB 1.915 33.687 31.823 -0.084 0.000 1.001 673 V HN 0.843 nan 8.190 nan 0.000 0.431 674 T N 1.817 116.461 114.554 0.149 0.000 2.916 674 T HA 0.652 5.008 4.350 0.010 0.000 0.305 674 T C 0.013 174.804 174.700 0.150 0.000 1.119 674 T CA -0.252 61.933 62.100 0.140 0.000 1.008 674 T CB 1.770 70.742 68.868 0.172 0.000 1.129 674 T HN 1.175 nan 8.240 nan 0.000 0.480 675 T N 0.185 114.806 114.554 0.113 0.000 2.847 675 T HA 0.592 4.948 4.350 0.010 0.000 0.279 675 T C -2.702 172.055 174.700 0.095 0.000 0.984 675 T CA -1.890 60.273 62.100 0.104 0.000 0.988 675 T CB 0.042 68.959 68.868 0.083 0.000 1.040 675 T HN 0.234 nan 8.240 nan 0.000 0.528 676 P HA 0.516 nan 4.420 nan 0.000 0.272 676 P C 0.592 177.925 177.300 0.055 0.000 1.230 676 P CA 0.733 63.875 63.100 0.069 0.000 0.788 676 P CB 0.018 31.751 31.700 0.055 0.000 0.949 677 G N 0.669 109.499 108.800 0.049 0.000 2.525 677 G HA2 -0.148 3.818 3.960 0.010 0.000 0.685 677 G HA3 -0.148 3.818 3.960 0.010 0.000 0.685 677 G C 0.081 175.002 174.900 0.034 0.000 1.290 677 G CA -0.465 44.657 45.100 0.037 0.000 0.915 677 G HN 0.433 nan 8.290 nan 0.000 0.548 678 K N -0.430 119.985 120.400 0.024 0.000 2.400 678 K HA 0.100 4.426 4.320 0.010 0.000 0.194 678 K C 0.431 177.038 176.600 0.012 0.000 1.033 678 K CA 1.204 57.501 56.287 0.018 0.000 1.021 678 K CB 0.098 32.606 32.500 0.013 0.000 0.808 678 K HN 0.374 nan 8.250 nan 0.000 0.505 679 K N 1.325 121.734 120.400 0.015 0.000 2.762 679 K HA 0.263 4.589 4.320 0.010 0.000 0.180 679 K C -2.778 173.833 176.600 0.019 0.000 1.067 679 K CA -1.625 54.670 56.287 0.012 0.000 0.973 679 K CB 0.322 32.829 32.500 0.012 0.000 1.290 679 K HN -0.141 nan 8.250 nan 0.000 0.604 680 P HA 0.323 nan 4.420 nan 0.000 0.278 680 P C -0.530 176.785 177.300 0.026 0.000 1.266 680 P CA -0.694 62.424 63.100 0.031 0.000 0.807 680 P CB 0.996 32.719 31.700 0.039 0.000 1.094 681 L N 0.164 121.410 121.223 0.039 0.000 2.360 681 L HA 0.549 4.895 4.340 0.010 0.000 0.271 681 L C 0.328 177.219 176.870 0.035 0.000 1.057 681 L CA -0.228 54.635 54.840 0.038 0.000 0.803 681 L CB 1.413 43.505 42.059 0.055 0.000 1.207 681 L HN 0.378 nan 8.230 nan 0.000 0.445 682 T N 0.016 114.580 114.554 0.017 0.000 2.909 682 T HA 0.409 4.765 4.350 0.010 0.000 0.299 682 T C -1.362 173.327 174.700 -0.019 0.000 1.073 682 T CA -0.603 61.494 62.100 -0.005 0.000 0.999 682 T CB 2.413 71.257 68.868 -0.039 0.000 1.098 682 T HN 0.436 nan 8.240 nan 0.000 0.477 683 D N 0.791 121.164 120.400 -0.045 0.000 2.601 683 D HA 0.600 5.247 4.640 0.010 0.000 0.230 683 D C -1.030 175.199 176.300 -0.119 0.000 1.106 683 D CA -0.432 53.515 54.000 -0.088 0.000 0.873 683 D CB 2.209 42.932 40.800 -0.128 0.000 1.515 683 D HN 0.571 nan 8.370 nan 0.000 0.468 684 E N 0.920 121.042 120.200 -0.130 0.000 2.372 684 E HA 0.619 4.975 4.350 0.010 0.000 0.279 684 E C -1.984 174.543 176.600 -0.121 0.000 0.946 684 E CA -0.872 55.450 56.400 -0.130 0.000 0.769 684 E CB 2.464 32.099 29.700 -0.107 0.000 1.230 684 E HN 0.166 nan 8.360 nan 0.000 0.442 685 V N 1.870 121.714 119.914 -0.117 0.000 3.048 685 V HA 0.526 4.653 4.120 0.010 0.000 0.303 685 V C -1.417 174.640 176.094 -0.062 0.000 1.214 685 V CA -0.280 61.973 62.300 -0.078 0.000 0.984 685 V CB 2.561 34.348 31.823 -0.061 0.000 1.054 685 V HN 0.766 nan 8.190 nan 0.000 0.430 686 T N 5.095 119.629 114.554 -0.033 0.000 2.767 686 T HA 0.647 5.003 4.350 0.010 0.000 0.284 686 T C -0.335 174.370 174.700 0.009 0.000 0.973 686 T CA -0.150 61.938 62.100 -0.019 0.000 0.996 686 T CB 1.169 70.027 68.868 -0.016 0.000 0.927 686 T HN 1.075 nan 8.240 nan 0.000 0.456 687 V N 0.839 120.769 119.914 0.026 0.000 3.103 687 V HA 0.748 4.875 4.120 0.010 0.000 0.318 687 V C -0.528 175.593 176.094 0.045 0.000 1.114 687 V CA -1.145 61.186 62.300 0.052 0.000 1.020 687 V CB 2.109 33.994 31.823 0.103 0.000 1.085 687 V HN 0.853 nan 8.190 nan 0.000 0.446 688 E N 0.977 121.196 120.200 0.031 0.000 2.165 688 E HA 0.391 4.747 4.350 0.010 0.000 0.266 688 E C -2.156 174.447 176.600 0.005 0.000 0.889 688 E CA -0.741 55.667 56.400 0.013 0.000 0.756 688 E CB 1.806 31.491 29.700 -0.024 0.000 1.131 688 E HN 0.814 nan 8.360 nan 0.000 0.411 689 Y N 4.103 124.352 120.300 -0.084 0.000 2.328 689 Y HA 0.416 4.972 4.550 0.010 0.000 0.337 689 Y C -1.255 174.575 175.900 -0.116 0.000 1.008 689 Y CA -0.500 57.534 58.100 -0.109 0.000 1.129 689 Y CB 0.917 39.352 38.460 -0.041 0.000 1.185 689 Y HN 0.361 nan 8.280 nan 0.000 0.476 690 K N 4.690 124.582 120.400 -0.846 0.000 2.397 690 K HA 0.282 4.608 4.320 0.010 0.000 0.253 690 K C -0.169 176.079 176.600 -0.588 0.000 0.932 690 K CA -0.563 55.371 56.287 -0.587 0.000 0.795 690 K CB 1.812 34.093 32.500 -0.366 0.000 1.159 690 K HN 0.683 nan 8.250 nan 0.000 0.424 691 E N 0.926 120.903 120.200 -0.371 0.000 2.479 691 E HA -0.047 4.309 4.350 0.010 0.000 0.193 691 E C -0.339 176.250 176.600 -0.018 0.000 1.049 691 E CA 0.079 56.366 56.400 -0.189 0.000 0.870 691 E CB 0.123 29.756 29.700 -0.113 0.000 0.944 691 E HN 0.626 nan 8.360 nan 0.000 0.492 692 D N -0.541 119.876 120.400 0.029 0.000 2.447 692 D HA 0.415 5.061 4.640 0.010 0.000 0.265 692 D C 0.459 176.804 176.300 0.074 0.000 1.250 692 D CA -0.524 53.512 54.000 0.059 0.000 1.046 692 D CB 0.543 41.376 40.800 0.055 0.000 1.095 692 D HN -0.022 nan 8.370 nan 0.000 0.555 697 H N 1.371 120.411 119.070 -0.049 0.000 2.253 697 H HA -0.020 4.542 4.556 0.010 0.000 0.299 697 H C 0.494 175.639 175.328 -0.305 0.000 1.064 697 H CA 1.669 57.587 56.048 -0.217 0.000 1.264 697 H CB 0.574 30.188 29.762 -0.246 0.000 1.371 697 H HN 0.396 nan 8.280 nan 0.000 0.493 698 H N 0.000 119.214 119.070 0.241 0.000 2.539 698 H HA 0.000 4.562 4.556 0.010 0.000 0.296 698 H CA 0.000 56.122 56.048 0.123 0.000 1.023 698 H CB 0.000 29.800 29.762 0.063 0.000 1.292 698 H HN 0.000 nan 8.280 nan 0.000 0.496