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 2zbx_1_A DATA FIRST_RESID 8 DATA SEQUENCE PQTTDAPAFP SNRSCPYQLP DGYAQLRDTP GPLHRVTLYD GRQAWVVTKH DATA SEQUENCE EAARKLLGDP RLSSNRTDDN FPATSPRFEX XXXSPQAFIG LDPPEHGTRR DATA SEQUENCE RMTISEFTVK RIKGMRPEVE EVVHGFLDEM LAAGPTADLV SQFALPVPSM DATA SEQUENCE VICRLLGVPY ADHEFFQDAS KRLVQSTDAQ SALTARNDLA GYLDGLITQF DATA SEQUENCE QTEPGAGLVG ALVADQLANG EIDREELIST AMLLLIAGHE TTASMTSLSV DATA SEQUENCE ITLLDHPEQY AALRADRSLV PGAVEELLRY LAIADIAGGR VATADIEVEG DATA SEQUENCE QLIRAGEGVI VVNSIANRDG TVYEDPDALD IHRSARHHLA FGFGVHQCLG DATA SEQUENCE QNLARLELEV ILNALMDRVP TLRLAVPVEQ LVLRPGTTIQ GVNELPVTWH DATA SEQUENCE 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 8 P HA 0.000 nan 4.420 nan 0.000 0.216 8 P C 0.000 177.301 177.300 0.002 0.000 1.155 8 P CA 0.000 63.101 63.100 0.002 0.000 0.800 8 P CB 0.000 31.702 31.700 0.003 0.000 0.726 9 Q N -0.691 119.111 119.800 0.003 0.000 2.408 9 Q HA 0.107 4.500 4.340 0.089 0.000 0.205 9 Q C 0.059 176.063 176.000 0.007 0.000 0.919 9 Q CA 0.640 56.445 55.803 0.004 0.000 0.932 9 Q CB 0.277 29.017 28.738 0.003 0.000 1.058 9 Q HN 0.570 nan 8.270 nan 0.000 0.517 10 T N 1.966 116.525 114.554 0.009 0.000 2.891 10 T HA 0.025 4.428 4.350 0.089 0.000 0.296 10 T C 0.210 174.919 174.700 0.015 0.000 1.025 10 T CA 0.914 63.022 62.100 0.014 0.000 1.149 10 T CB 0.399 69.276 68.868 0.015 0.000 1.007 10 T HN 0.097 nan 8.240 nan 0.000 0.528 11 T N 1.030 115.598 114.554 0.023 0.000 2.916 11 T HA 0.424 4.827 4.350 0.089 0.000 0.292 11 T C 0.082 174.808 174.700 0.043 0.000 1.055 11 T CA -0.940 61.173 62.100 0.022 0.000 1.009 11 T CB 1.319 70.199 68.868 0.020 0.000 1.118 11 T HN 0.627 nan 8.240 nan 0.000 0.497 12 D N 1.074 121.492 120.400 0.030 0.000 2.368 12 D HA 0.330 5.023 4.640 0.089 0.000 0.218 12 D C 0.202 176.538 176.300 0.060 0.000 1.112 12 D CA -0.282 53.748 54.000 0.050 0.000 0.834 12 D CB 0.162 40.954 40.800 -0.013 0.000 0.953 12 D HN 0.504 nan 8.370 nan 0.000 0.505 13 A N 1.527 124.375 122.820 0.047 0.000 3.216 13 A HA 0.464 4.837 4.320 0.089 0.000 0.321 13 A C -2.783 174.834 177.584 0.056 0.000 1.042 13 A CA -1.119 50.936 52.037 0.032 0.000 0.838 13 A CB 0.778 19.740 19.000 -0.063 0.000 1.136 13 A HN -0.022 nan 8.150 nan 0.000 0.483 14 P HA 0.266 nan 4.420 nan 0.000 0.269 14 P C 0.356 177.722 177.300 0.110 0.000 1.215 14 P CA 0.202 63.353 63.100 0.085 0.000 0.780 14 P CB 0.809 32.556 31.700 0.079 0.000 0.898 15 A N 2.622 125.500 122.820 0.096 0.000 2.546 15 A HA 0.279 4.652 4.320 0.089 0.000 0.243 15 A C -0.466 177.236 177.584 0.196 0.000 1.063 15 A CA 0.389 52.494 52.037 0.115 0.000 0.757 15 A CB -0.925 18.116 19.000 0.067 0.000 0.991 15 A HN 0.550 nan 8.150 nan 0.000 0.503 16 F N 4.856 124.840 119.950 0.056 0.000 2.565 16 F HA 0.679 5.258 4.527 0.087 0.000 0.313 16 F C -2.313 173.539 175.800 0.086 0.000 1.091 16 F CA -2.027 56.026 58.000 0.088 0.000 0.915 16 F CB 2.347 41.379 39.000 0.053 0.000 1.208 16 F HN 0.463 nan 8.300 nan 0.000 0.453 17 P HA 0.343 nan 4.420 nan 0.000 0.279 17 P C -1.225 175.825 177.300 -0.418 0.000 1.276 17 P CA -0.377 62.038 63.100 -1.141 0.000 0.801 17 P CB 1.420 32.614 31.700 -0.845 0.000 1.127 18 S N 0.092 115.567 115.700 -0.375 0.000 2.690 18 S HA 0.409 4.932 4.470 0.089 0.000 0.291 18 S C -0.085 174.254 174.600 -0.435 0.000 1.138 18 S CA -0.610 57.352 58.200 -0.396 0.000 1.013 18 S CB 0.398 63.264 63.200 -0.557 0.000 1.053 18 S HN 0.398 nan 8.310 nan 0.000 0.539 19 N N 1.570 120.079 118.700 -0.319 0.000 2.430 19 N HA 0.320 5.114 4.740 0.089 0.000 0.292 19 N C -0.530 174.821 175.510 -0.264 0.000 1.051 19 N CA -0.472 52.427 53.050 -0.252 0.000 0.917 19 N CB 0.898 39.284 38.487 -0.168 0.000 1.164 19 N HN 0.422 nan 8.380 nan 0.000 0.484 20 R N 0.142 120.502 120.500 -0.233 0.000 2.543 20 R HA 0.100 4.493 4.340 0.089 0.000 0.277 20 R C 0.986 177.185 176.300 -0.168 0.000 1.074 20 R CA 0.044 56.017 56.100 -0.211 0.000 1.076 20 R CB 0.473 30.666 30.300 -0.180 0.000 0.993 20 R HN 0.710 nan 8.270 nan 0.000 0.459 21 S N 0.054 115.654 115.700 -0.166 0.000 2.505 21 S HA 0.033 4.556 4.470 0.089 0.000 0.216 21 S C 0.555 175.062 174.600 -0.156 0.000 1.018 21 S CA -0.549 57.568 58.200 -0.139 0.000 0.911 21 S CB 0.433 63.560 63.200 -0.121 0.000 0.818 21 S HN 0.599 nan 8.310 nan 0.000 0.497 22 C N 3.270 122.447 119.300 -0.206 0.000 2.441 22 C HA 0.654 5.167 4.460 0.089 0.000 0.318 22 C C -1.662 173.143 174.990 -0.309 0.000 1.222 22 C CA -2.059 56.781 59.018 -0.296 0.000 1.474 22 C CB 1.557 29.048 27.740 -0.415 0.000 2.125 22 C HN 0.204 nan 8.230 nan 0.000 0.479 23 P HA -0.163 nan 4.420 nan 0.000 0.217 23 P C 0.423 177.683 177.300 -0.068 0.000 1.148 23 P CA 1.996 65.026 63.100 -0.115 0.000 0.834 23 P CB -0.177 31.526 31.700 0.006 0.000 0.783 24 Y N -3.602 116.683 120.300 -0.024 0.000 2.500 24 Y HA 0.619 5.221 4.550 0.088 0.000 0.246 24 Y C 0.726 176.512 175.900 -0.190 0.000 1.146 24 Y CA -1.133 56.928 58.100 -0.066 0.000 1.230 24 Y CB -0.653 37.878 38.460 0.118 0.000 1.214 24 Y HN -0.216 nan 8.280 nan 0.000 0.526 25 Q N 1.702 121.351 119.800 -0.252 0.000 2.235 25 Q HA 0.417 4.811 4.340 0.089 0.000 0.256 25 Q C -0.683 175.222 176.000 -0.159 0.000 0.951 25 Q CA -0.890 54.808 55.803 -0.174 0.000 0.890 25 Q CB 1.594 30.233 28.738 -0.165 0.000 1.279 25 Q HN 0.529 nan 8.270 nan 0.000 0.444 26 L N 5.087 126.243 121.223 -0.111 0.000 2.540 26 L HA 0.115 4.508 4.340 0.089 0.000 0.276 26 L C -1.818 174.985 176.870 -0.112 0.000 1.212 26 L CA -1.331 53.473 54.840 -0.061 0.000 0.893 26 L CB 0.179 42.252 42.059 0.022 0.000 1.138 26 L HN 0.497 nan 8.230 nan 0.000 0.491 27 P HA -0.026 nan 4.420 nan 0.000 0.266 27 P C 0.033 177.253 177.300 -0.134 0.000 1.193 27 P CA -0.190 62.739 63.100 -0.285 0.000 0.770 27 P CB 0.543 31.866 31.700 -0.630 0.000 0.836 28 D N 2.217 122.556 120.400 -0.100 0.000 2.116 28 D HA -0.147 4.546 4.640 0.089 0.000 0.193 28 D C 2.214 178.518 176.300 0.008 0.000 0.998 28 D CA 2.101 56.080 54.000 -0.037 0.000 0.836 28 D CB -0.870 39.906 40.800 -0.040 0.000 0.951 28 D HN 0.563 nan 8.370 nan 0.000 0.449 29 G N -0.598 108.205 108.800 0.004 0.000 2.450 29 G HA2 -0.271 3.742 3.960 0.089 0.000 0.220 29 G HA3 -0.271 3.742 3.960 0.089 0.000 0.220 29 G C 1.303 176.348 174.900 0.242 0.000 1.130 29 G CA 0.539 45.694 45.100 0.092 0.000 0.760 29 G HN 0.242 nan 8.290 nan 0.000 0.557 30 Y N 0.955 121.248 120.300 -0.012 0.000 2.286 30 Y HA 0.235 4.838 4.550 0.089 0.000 0.293 30 Y C 3.035 178.933 175.900 -0.003 0.000 1.124 30 Y CA -0.197 57.907 58.100 0.006 0.000 1.178 30 Y CB -0.973 37.492 38.460 0.008 0.000 1.010 30 Y HN 0.255 nan 8.280 nan 0.000 0.536 31 A N 0.745 123.658 122.820 0.156 0.000 1.908 31 A HA -0.311 4.062 4.320 0.089 0.000 0.218 31 A C 2.201 179.819 177.584 0.057 0.000 1.181 31 A CA 2.210 54.297 52.037 0.083 0.000 0.627 31 A CB -0.816 18.216 19.000 0.053 0.000 0.818 31 A HN 0.568 nan 8.150 nan 0.000 0.445 32 Q N 0.086 119.915 119.800 0.048 0.000 2.084 32 Q HA -0.066 4.327 4.340 0.089 0.000 0.202 32 Q C 1.794 177.784 176.000 -0.017 0.000 0.978 32 Q CA 1.921 57.734 55.803 0.017 0.000 0.844 32 Q CB -0.774 27.968 28.738 0.008 0.000 0.898 32 Q HN 0.565 nan 8.270 nan 0.000 0.426 33 L N 0.044 121.244 121.223 -0.038 0.000 2.046 33 L HA -0.111 4.282 4.340 0.089 0.000 0.208 33 L C 2.972 179.825 176.870 -0.028 0.000 1.077 33 L CA 1.357 56.134 54.840 -0.106 0.000 0.747 33 L CB -0.586 41.391 42.059 -0.137 0.000 0.896 33 L HN 0.306 nan 8.230 nan 0.000 0.432 34 R N 0.503 121.008 120.500 0.009 0.000 2.105 34 R HA -0.183 4.210 4.340 0.089 0.000 0.239 34 R C 1.424 177.745 176.300 0.035 0.000 1.135 34 R CA 1.883 58.001 56.100 0.029 0.000 0.967 34 R CB -0.361 29.970 30.300 0.051 0.000 0.861 34 R HN 0.372 nan 8.270 nan 0.000 0.442 35 D N -0.138 120.282 120.400 0.033 0.000 2.323 35 D HA -0.006 4.687 4.640 0.089 0.000 0.209 35 D C 0.032 176.355 176.300 0.039 0.000 0.973 35 D CA 0.602 54.623 54.000 0.036 0.000 0.874 35 D CB 0.090 40.910 40.800 0.034 0.000 0.930 35 D HN 0.089 nan 8.370 nan 0.000 0.521 36 T N 3.248 117.828 114.554 0.043 0.000 2.761 36 T HA 0.253 4.656 4.350 0.089 0.000 0.296 36 T C -2.341 172.403 174.700 0.074 0.000 0.934 36 T CA -1.298 60.845 62.100 0.072 0.000 1.091 36 T CB 1.473 70.411 68.868 0.117 0.000 0.896 36 T HN -0.082 nan 8.240 nan 0.000 0.515 37 P HA 0.384 nan 4.420 nan 0.000 0.268 37 P C 0.390 177.717 177.300 0.045 0.000 1.208 37 P CA 0.541 63.666 63.100 0.042 0.000 0.777 37 P CB 0.330 32.048 31.700 0.030 0.000 0.875 38 G N 2.724 111.537 108.800 0.022 0.000 2.697 38 G HA2 -0.081 3.932 3.960 0.089 0.000 0.686 38 G HA3 -0.081 3.932 3.960 0.089 0.000 0.686 38 G C -2.240 172.660 174.900 -0.000 0.000 1.179 38 G CA -0.511 44.591 45.100 0.004 0.000 0.765 38 G HN 0.328 nan 8.290 nan 0.000 0.649 39 P HA 0.044 nan 4.420 nan 0.000 0.221 39 P C 0.859 178.130 177.300 -0.050 0.000 1.150 39 P CA 0.998 64.066 63.100 -0.054 0.000 0.800 39 P CB 0.279 31.922 31.700 -0.096 0.000 0.787 40 L N -1.324 119.871 121.223 -0.048 0.000 2.323 40 L HA 0.561 4.954 4.340 0.089 0.000 0.265 40 L C 0.120 177.114 176.870 0.205 0.000 1.012 40 L CA -0.944 53.901 54.840 0.008 0.000 0.820 40 L CB 1.981 43.886 42.059 -0.257 0.000 1.334 40 L HN 0.002 nan 8.230 nan 0.000 0.427 41 H N 1.418 120.625 119.070 0.228 0.000 2.974 41 H HA 0.423 5.032 4.556 0.088 0.000 0.366 41 H C -1.075 174.353 175.328 0.166 0.000 1.155 41 H CA -0.766 55.404 56.048 0.202 0.000 1.186 41 H CB 2.326 32.122 29.762 0.057 0.000 1.799 41 H HN 0.566 nan 8.280 nan 0.000 0.541 42 R N 1.770 122.210 120.500 -0.100 0.000 2.543 42 R HA 0.385 4.778 4.340 0.089 0.000 0.277 42 R C -0.149 176.152 176.300 0.003 0.000 1.074 42 R CA -0.366 55.559 56.100 -0.291 0.000 1.076 42 R CB 0.901 30.907 30.300 -0.490 0.000 0.993 42 R HN 0.350 nan 8.270 nan 0.000 0.459 43 V N -1.761 118.083 119.914 -0.117 0.000 3.160 43 V HA 0.598 4.771 4.120 0.089 0.000 0.310 43 V C -0.527 175.531 176.094 -0.061 0.000 1.181 43 V CA -0.933 61.351 62.300 -0.026 0.000 1.047 43 V CB 2.387 34.192 31.823 -0.030 0.000 1.068 43 V HN 0.673 nan 8.190 nan 0.000 0.441 44 T N 3.214 117.776 114.554 0.013 0.000 2.786 44 T HA 0.680 5.084 4.350 0.089 0.000 0.283 44 T C -0.133 174.599 174.700 0.054 0.000 0.992 44 T CA -0.304 61.793 62.100 -0.006 0.000 0.954 44 T CB 0.969 69.832 68.868 -0.010 0.000 0.934 44 T HN 0.648 nan 8.240 nan 0.000 0.440 45 L N 2.251 123.487 121.223 0.021 0.000 2.479 45 L HA 0.315 4.709 4.340 0.089 0.000 0.249 45 L C 1.956 178.845 176.870 0.032 0.000 1.178 45 L CA -0.908 53.981 54.840 0.082 0.000 0.811 45 L CB 0.181 42.272 42.059 0.053 0.000 1.187 45 L HN 0.796 nan 8.230 nan 0.000 0.480 46 Y N 0.251 120.569 120.300 0.030 0.000 2.256 46 Y HA -0.242 4.359 4.550 0.085 0.000 0.288 46 Y C 1.675 177.584 175.900 0.014 0.000 1.155 46 Y CA 1.168 59.280 58.100 0.020 0.000 1.203 46 Y CB -0.862 37.610 38.460 0.021 0.000 0.980 46 Y HN 0.703 nan 8.280 nan 0.000 0.530 47 D N -0.650 119.173 120.400 -0.962 0.000 2.328 47 D HA 0.164 4.857 4.640 0.089 0.000 0.226 47 D C 1.803 177.917 176.300 -0.309 0.000 1.066 47 D CA 0.517 54.091 54.000 -0.711 0.000 0.861 47 D CB -0.148 40.121 40.800 -0.884 0.000 0.912 47 D HN 0.617 nan 8.370 nan 0.000 0.521 48 G N 0.450 109.123 108.800 -0.212 0.000 2.195 48 G HA2 -0.306 3.707 3.960 0.089 0.000 0.246 48 G HA3 -0.306 3.707 3.960 0.089 0.000 0.246 48 G C 0.307 175.135 174.900 -0.120 0.000 0.984 48 G CA -0.140 44.885 45.100 -0.125 0.000 0.633 48 G HN 0.447 nan 8.290 nan 0.000 0.525 49 R N 0.623 121.034 120.500 -0.147 0.000 2.490 49 R HA 0.417 4.810 4.340 0.089 0.000 0.280 49 R C 0.387 176.610 176.300 -0.129 0.000 1.077 49 R CA -0.177 55.845 56.100 -0.129 0.000 1.065 49 R CB 0.576 30.799 30.300 -0.129 0.000 1.003 49 R HN 0.407 nan 8.270 nan 0.000 0.470 50 Q N 0.669 120.379 119.800 -0.150 0.000 2.259 50 Q HA 0.473 4.866 4.340 0.089 0.000 0.249 50 Q C -0.777 175.076 176.000 -0.245 0.000 0.914 50 Q CA -0.267 55.413 55.803 -0.206 0.000 0.904 50 Q CB 1.870 30.456 28.738 -0.252 0.000 1.213 50 Q HN 0.669 nan 8.270 nan 0.000 0.428 51 A N 2.357 125.007 122.820 -0.283 0.000 2.530 51 A HA 0.679 5.052 4.320 0.089 0.000 0.288 51 A C -2.028 175.334 177.584 -0.370 0.000 1.172 51 A CA -0.740 51.125 52.037 -0.287 0.000 0.733 51 A CB 0.891 19.777 19.000 -0.191 0.000 1.320 51 A HN 0.745 nan 8.150 nan 0.000 0.419 52 W N 0.070 121.268 121.300 -0.169 0.000 2.512 52 W HA 0.533 5.243 4.660 0.083 0.000 0.335 52 W C 0.030 176.397 176.519 -0.252 0.000 1.088 52 W CA -0.514 56.728 57.345 -0.172 0.000 1.236 52 W CB 1.920 31.295 29.460 -0.141 0.000 1.307 52 W HN 0.652 nan 8.180 nan 0.000 0.567 53 V N 0.526 120.452 119.914 0.020 0.000 2.667 53 V HA 0.746 4.920 4.120 0.089 0.000 0.308 53 V C -0.720 175.341 176.094 -0.054 0.000 1.048 53 V CA -1.195 61.003 62.300 -0.171 0.000 0.928 53 V CB 1.158 32.711 31.823 -0.451 0.000 1.004 53 V HN 0.287 nan 8.190 nan 0.000 0.444 54 V N 3.981 123.836 119.914 -0.098 0.000 2.394 54 V HA 0.502 4.675 4.120 0.089 0.000 0.282 54 V C 1.174 177.224 176.094 -0.073 0.000 1.031 54 V CA 0.528 62.782 62.300 -0.076 0.000 0.881 54 V CB 1.050 32.822 31.823 -0.085 0.000 0.982 54 V HN 1.166 nan 8.190 nan 0.000 0.451 55 T N 0.153 114.680 114.554 -0.045 0.000 3.043 55 T HA 0.323 4.726 4.350 0.089 0.000 0.272 55 T C 0.359 175.059 174.700 0.000 0.000 0.990 55 T CA -0.372 61.707 62.100 -0.034 0.000 0.897 55 T CB 0.317 69.169 68.868 -0.027 0.000 1.111 55 T HN 0.395 nan 8.240 nan 0.000 0.529 56 K N 0.747 121.146 120.400 -0.002 0.000 2.267 56 K HA 0.379 4.753 4.320 0.089 0.000 0.246 56 K C 0.449 177.068 176.600 0.031 0.000 0.954 56 K CA -0.866 55.437 56.287 0.027 0.000 0.824 56 K CB 1.556 34.061 32.500 0.008 0.000 1.167 56 K HN 0.014 nan 8.250 nan 0.000 0.431 57 H N 1.470 120.528 119.070 -0.021 0.000 2.276 57 H HA -0.110 4.501 4.556 0.091 0.000 0.301 57 H C 1.152 176.431 175.328 -0.082 0.000 1.073 57 H CA 2.249 58.283 56.048 -0.023 0.000 1.311 57 H CB 0.631 30.386 29.762 -0.011 0.000 1.379 57 H HN 0.669 nan 8.280 nan 0.000 0.494 58 E N 0.760 120.972 120.200 0.021 0.000 2.106 58 E HA -0.058 4.345 4.350 0.089 0.000 0.192 58 E C 2.283 178.790 176.600 -0.156 0.000 0.984 58 E CA 1.348 57.692 56.400 -0.092 0.000 0.806 58 E CB -0.455 29.213 29.700 -0.054 0.000 0.750 58 E HN 0.485 nan 8.360 nan 0.000 0.458 59 A N 0.750 123.503 122.820 -0.111 0.000 1.940 59 A HA -0.093 4.280 4.320 0.089 0.000 0.219 59 A C 2.418 179.920 177.584 -0.136 0.000 1.176 59 A CA 2.083 54.050 52.037 -0.115 0.000 0.631 59 A CB -0.973 17.971 19.000 -0.093 0.000 0.814 59 A HN 0.383 nan 8.150 nan 0.000 0.446 60 A N -0.223 122.504 122.820 -0.154 0.000 1.877 60 A HA -0.160 4.213 4.320 0.089 0.000 0.216 60 A C 2.238 179.708 177.584 -0.189 0.000 1.186 60 A CA 1.560 53.506 52.037 -0.152 0.000 0.620 60 A CB -0.488 18.420 19.000 -0.154 0.000 0.822 60 A HN 0.535 nan 8.150 nan 0.000 0.443 61 R N -0.514 119.774 120.500 -0.353 0.000 2.091 61 R HA -0.164 4.229 4.340 0.089 0.000 0.238 61 R C 2.388 178.483 176.300 -0.342 0.000 1.136 61 R CA 1.824 57.578 56.100 -0.577 0.000 0.959 61 R CB -0.264 29.473 30.300 -0.939 0.000 0.856 61 R HN 0.643 nan 8.270 nan 0.000 0.437 62 K N 0.882 121.147 120.400 -0.225 0.000 2.057 62 K HA -0.115 4.258 4.320 0.089 0.000 0.206 62 K C 1.946 178.524 176.600 -0.036 0.000 1.050 62 K CA 1.180 57.403 56.287 -0.108 0.000 0.935 62 K CB -0.000 32.437 32.500 -0.104 0.000 0.715 62 K HN 0.108 nan 8.250 nan 0.000 0.439 63 L N 0.785 121.976 121.223 -0.053 0.000 2.131 63 L HA -0.087 4.306 4.340 0.089 0.000 0.206 63 L C 2.239 179.127 176.870 0.030 0.000 1.087 63 L CA 0.578 55.401 54.840 -0.028 0.000 0.767 63 L CB -0.194 41.826 42.059 -0.064 0.000 0.917 63 L HN 0.201 nan 8.230 nan 0.000 0.441 64 L N -0.452 120.814 121.223 0.071 0.000 2.191 64 L HA -0.123 4.270 4.340 0.089 0.000 0.212 64 L C 2.305 179.309 176.870 0.222 0.000 1.103 64 L CA 1.161 56.100 54.840 0.165 0.000 0.769 64 L CB -0.722 41.488 42.059 0.251 0.000 0.908 64 L HN 0.313 nan 8.230 nan 0.000 0.438 65 G N -1.915 107.039 108.800 0.257 0.000 2.880 65 G HA2 -0.117 3.896 3.960 0.089 0.000 0.209 65 G HA3 -0.117 3.896 3.960 0.089 0.000 0.209 65 G C 0.222 175.190 174.900 0.114 0.000 1.157 65 G CA -0.188 45.055 45.100 0.238 0.000 0.779 65 G HN 0.137 nan 8.290 nan 0.000 0.539 66 D N 0.913 121.359 120.400 0.077 0.000 2.339 66 D HA 0.207 4.901 4.640 0.089 0.000 0.241 66 D C -1.115 175.209 176.300 0.041 0.000 1.183 66 D CA -2.231 51.794 54.000 0.041 0.000 0.859 66 D CB 2.145 42.953 40.800 0.013 0.000 1.067 66 D HN 0.032 nan 8.370 nan 0.000 0.484 67 P HA -0.066 nan 4.420 nan 0.000 0.228 67 P C 0.920 178.243 177.300 0.038 0.000 1.151 67 P CA 0.452 63.576 63.100 0.039 0.000 0.770 67 P CB 0.391 32.109 31.700 0.030 0.000 0.786 68 R N -0.654 119.862 120.500 0.026 0.000 2.235 68 R HA 0.114 4.508 4.340 0.089 0.000 0.213 68 R C 0.956 177.270 176.300 0.024 0.000 1.059 68 R CA 0.331 56.444 56.100 0.021 0.000 0.997 68 R CB -0.298 30.006 30.300 0.006 0.000 0.884 68 R HN 0.255 nan 8.270 nan 0.000 0.462 69 L N 1.789 123.028 121.223 0.026 0.000 2.288 69 L HA 0.173 4.566 4.340 0.089 0.000 0.283 69 L C 0.116 177.021 176.870 0.059 0.000 1.072 69 L CA -0.378 54.478 54.840 0.028 0.000 0.862 69 L CB 1.361 43.425 42.059 0.009 0.000 1.245 69 L HN 0.025 nan 8.230 nan 0.000 0.432 70 S N 1.369 117.115 115.700 0.078 0.000 2.601 70 S HA 0.180 4.703 4.470 0.089 0.000 0.271 70 S C 1.007 175.705 174.600 0.163 0.000 1.305 70 S CA -0.473 57.795 58.200 0.114 0.000 1.022 70 S CB 1.422 64.692 63.200 0.116 0.000 0.940 70 S HN 0.569 nan 8.310 nan 0.000 0.525 71 S N 2.729 118.514 115.700 0.142 0.000 2.577 71 S HA 0.152 4.675 4.470 0.089 0.000 0.219 71 S C 0.417 175.089 174.600 0.119 0.000 0.962 71 S CA -0.370 57.907 58.200 0.129 0.000 0.921 71 S CB -0.520 62.586 63.200 -0.157 0.000 0.789 71 S HN 0.755 nan 8.310 nan 0.000 0.497 72 N N 2.678 121.466 118.700 0.147 0.000 2.400 72 N HA 0.067 4.860 4.740 0.089 0.000 0.278 72 N C 0.853 176.317 175.510 -0.077 0.000 1.247 72 N CA 0.031 53.113 53.050 0.054 0.000 0.970 72 N CB 0.151 38.696 38.487 0.096 0.000 1.312 72 N HN 0.243 nan 8.380 nan 0.000 0.488 73 R N 0.728 120.999 120.500 -0.382 0.000 2.237 73 R HA -0.066 4.327 4.340 0.089 0.000 0.219 73 R C 1.409 177.612 176.300 -0.162 0.000 1.080 73 R CA 1.462 57.146 56.100 -0.693 0.000 0.995 73 R CB -0.127 29.840 30.300 -0.554 0.000 0.875 73 R HN 0.618 nan 8.270 nan 0.000 0.462 74 T N -1.839 112.673 114.554 -0.070 0.000 3.085 74 T HA -0.061 4.342 4.350 0.089 0.000 0.263 74 T C 0.736 175.484 174.700 0.081 0.000 1.127 74 T CA 0.014 62.118 62.100 0.008 0.000 1.103 74 T CB -0.032 68.832 68.868 -0.005 0.000 0.921 74 T HN 0.025 nan 8.240 nan 0.000 0.510 75 D N 1.709 122.183 120.400 0.123 0.000 2.455 75 D HA -0.019 4.674 4.640 0.089 0.000 0.241 75 D C 0.214 176.624 176.300 0.184 0.000 1.138 75 D CA -0.034 54.059 54.000 0.156 0.000 0.877 75 D CB 0.935 41.851 40.800 0.194 0.000 1.187 75 D HN 0.078 nan 8.370 nan 0.000 0.451 76 D N 2.475 122.953 120.400 0.130 0.000 2.221 76 D HA -0.141 4.553 4.640 0.089 0.000 0.204 76 D C 0.906 177.277 176.300 0.119 0.000 0.982 76 D CA 0.939 55.010 54.000 0.117 0.000 0.857 76 D CB 0.157 41.003 40.800 0.077 0.000 0.934 76 D HN 0.426 nan 8.370 nan 0.000 0.475 77 N N -0.256 118.514 118.700 0.116 0.000 2.270 77 N HA -0.020 4.773 4.740 0.089 0.000 0.198 77 N C 0.057 175.614 175.510 0.078 0.000 1.117 77 N CA -0.239 52.856 53.050 0.075 0.000 0.845 77 N CB 0.106 38.620 38.487 0.045 0.000 0.980 77 N HN 0.133 nan 8.380 nan 0.000 0.486 78 F N 4.260 124.217 119.950 0.013 0.000 2.607 78 F HA 0.069 4.649 4.527 0.089 0.000 0.374 78 F C -1.515 174.207 175.800 -0.130 0.000 1.104 78 F CA -1.575 56.407 58.000 -0.030 0.000 1.296 78 F CB 0.710 39.731 39.000 0.036 0.000 1.085 78 F HN -0.016 nan 8.300 nan 0.000 0.584 79 P HA 0.132 nan 4.420 nan 0.000 0.244 79 P C -1.081 176.027 177.300 -0.320 0.000 1.769 79 P CA -0.089 62.784 63.100 -0.379 0.000 1.102 79 P CB -0.072 31.378 31.700 -0.417 0.000 1.937 80 A N 3.061 125.739 122.820 -0.238 0.000 2.454 80 A HA 0.294 4.667 4.320 0.089 0.000 0.260 80 A C 1.486 179.127 177.584 0.095 0.000 1.106 80 A CA 0.082 51.951 52.037 -0.281 0.000 0.780 80 A CB -0.052 18.911 19.000 -0.061 0.000 1.044 80 A HN 0.499 nan 8.150 nan 0.000 0.498 81 T N -0.797 113.798 114.554 0.069 0.000 3.060 81 T HA 0.327 4.730 4.350 0.089 0.000 0.249 81 T C 0.594 175.288 174.700 -0.011 0.000 1.079 81 T CA 0.544 62.740 62.100 0.160 0.000 1.013 81 T CB -0.465 68.480 68.868 0.128 0.000 0.975 81 T HN 1.398 nan 8.240 nan 0.000 0.518 82 S N -0.077 115.484 115.700 -0.232 0.000 2.596 82 S HA 0.562 5.085 4.470 0.089 0.000 0.270 82 S C -2.843 171.349 174.600 -0.680 0.000 1.155 82 S CA -1.258 56.537 58.200 -0.675 0.000 0.827 82 S CB 1.685 64.719 63.200 -0.277 0.000 1.130 82 S HN -0.166 nan 8.310 nan 0.000 0.467 83 P HA -0.109 nan 4.420 nan 0.000 0.221 83 P C 1.513 178.795 177.300 -0.030 0.000 1.145 83 P CA 1.168 64.139 63.100 -0.213 0.000 0.795 83 P CB -0.116 31.509 31.700 -0.125 0.000 0.775 84 R N -1.062 119.409 120.500 -0.048 0.000 2.127 84 R HA -0.153 4.241 4.340 0.089 0.000 0.238 84 R C 1.945 178.279 176.300 0.056 0.000 1.134 84 R CA 1.306 57.408 56.100 0.004 0.000 0.975 84 R CB -1.647 28.650 30.300 -0.006 0.000 0.865 84 R HN 0.073 nan 8.270 nan 0.000 0.447 85 F N 2.010 121.951 119.950 -0.015 0.000 2.333 85 F HA -0.022 4.547 4.527 0.070 0.000 0.300 85 F C 0.576 176.397 175.800 0.034 0.000 1.083 85 F CA 0.948 58.965 58.000 0.028 0.000 1.395 85 F CB 0.055 39.112 39.000 0.094 0.000 1.056 85 F HN 0.164 nan 8.300 nan 0.000 0.529 92 P HA 0.385 nan 4.420 nan 0.000 0.271 92 P C -0.820 176.465 177.300 -0.026 0.000 1.218 92 P CA -0.378 62.714 63.100 -0.013 0.000 0.780 92 P CB 0.275 31.977 31.700 0.003 0.000 0.901 93 Q N 0.561 120.346 119.800 -0.025 0.000 2.293 93 Q HA 0.501 4.895 4.340 0.089 0.000 0.251 93 Q C 0.147 176.138 176.000 -0.015 0.000 0.930 93 Q CA -0.633 55.145 55.803 -0.041 0.000 0.893 93 Q CB 1.114 29.828 28.738 -0.040 0.000 1.215 93 Q HN 0.606 nan 8.270 nan 0.000 0.425 94 A N 1.550 124.335 122.820 -0.058 0.000 2.366 94 A HA 0.134 4.507 4.320 0.089 0.000 0.250 94 A C 0.534 178.096 177.584 -0.037 0.000 1.099 94 A CA -0.224 51.764 52.037 -0.083 0.000 0.794 94 A CB -0.096 18.768 19.000 -0.226 0.000 1.056 94 A HN 0.858 nan 8.150 nan 0.000 0.499 95 F N -0.792 119.201 119.950 0.072 0.000 2.494 95 F HA -0.052 4.515 4.527 0.067 0.000 0.298 95 F C 1.389 177.371 175.800 0.304 0.000 1.106 95 F CA 0.987 59.084 58.000 0.162 0.000 1.452 95 F CB -0.730 38.318 39.000 0.079 0.000 1.085 95 F HN 0.402 nan 8.300 nan 0.000 0.569 96 I N 1.014 121.548 120.570 -0.060 0.000 2.567 96 I HA -0.114 4.109 4.170 0.089 0.000 0.257 96 I C 2.192 178.288 176.117 -0.034 0.000 1.184 96 I CA 1.534 62.843 61.300 0.015 0.000 1.451 96 I CB -0.466 37.453 38.000 -0.135 0.000 1.089 96 I HN 0.339 nan 8.210 nan 0.000 0.441 97 G N 0.432 109.235 108.800 0.005 0.000 3.233 97 G HA2 0.287 4.300 3.960 0.089 0.000 0.234 97 G HA3 0.287 4.300 3.960 0.089 0.000 0.234 97 G C 0.381 175.323 174.900 0.070 0.000 1.137 97 G CA -0.347 44.738 45.100 -0.026 0.000 0.763 97 G HN 0.178 nan 8.290 nan 0.000 0.549 98 L N 0.509 121.860 121.223 0.214 0.000 2.352 98 L HA 0.523 4.916 4.340 0.089 0.000 0.269 98 L C -0.722 176.332 176.870 0.307 0.000 1.034 98 L CA -1.091 53.898 54.840 0.249 0.000 0.806 98 L CB 1.716 43.948 42.059 0.289 0.000 1.244 98 L HN -0.072 nan 8.230 nan 0.000 0.447 99 D N 0.611 121.142 120.400 0.218 0.000 2.299 99 D HA 0.385 5.078 4.640 0.089 0.000 0.243 99 D C -2.478 173.917 176.300 0.158 0.000 0.982 99 D CA -1.448 52.660 54.000 0.179 0.000 0.924 99 D CB 1.624 42.500 40.800 0.127 0.000 1.238 99 D HN 0.134 nan 8.370 nan 0.000 0.484 100 P HA 0.058 nan 4.420 nan 0.000 0.266 100 P C -1.657 175.683 177.300 0.067 0.000 1.195 100 P CA -0.640 62.514 63.100 0.089 0.000 0.768 100 P CB 0.168 31.897 31.700 0.048 0.000 0.838 101 P HA 0.034 nan 4.420 nan 0.000 0.245 101 P C 0.759 178.083 177.300 0.040 0.000 1.203 101 P CA 0.791 63.914 63.100 0.038 0.000 0.792 101 P CB 0.407 32.118 31.700 0.019 0.000 0.997 102 E N -0.561 119.678 120.200 0.064 0.000 2.077 102 E HA -0.205 4.198 4.350 0.089 0.000 0.193 102 E C 2.151 178.792 176.600 0.069 0.000 0.989 102 E CA 0.913 57.350 56.400 0.061 0.000 0.800 102 E CB -1.038 28.711 29.700 0.081 0.000 0.746 102 E HN 0.455 nan 8.360 nan 0.000 0.452 103 H N 0.075 119.166 119.070 0.035 0.000 2.289 103 H HA -0.147 4.454 4.556 0.075 0.000 0.294 103 H C 2.055 177.329 175.328 -0.091 0.000 1.095 103 H CA 1.956 58.024 56.048 0.034 0.000 1.256 103 H CB -0.389 29.377 29.762 0.007 0.000 1.359 103 H HN 0.277 nan 8.280 nan 0.000 0.487 104 G N -0.402 108.231 108.800 -0.278 0.000 2.422 104 G HA2 -0.300 3.713 3.960 0.089 0.000 0.218 104 G HA3 -0.300 3.713 3.960 0.089 0.000 0.218 104 G C 1.972 176.690 174.900 -0.303 0.000 1.146 104 G CA 1.754 46.641 45.100 -0.355 0.000 0.769 104 G HN 0.651 nan 8.290 nan 0.000 0.547 105 T N -0.715 113.730 114.554 -0.182 0.000 2.788 105 T HA -0.061 4.342 4.350 0.089 0.000 0.268 105 T C 2.426 177.020 174.700 -0.177 0.000 1.044 105 T CA 1.357 63.373 62.100 -0.141 0.000 1.139 105 T CB -0.129 68.696 68.868 -0.072 0.000 0.867 105 T HN 0.225 nan 8.240 nan 0.000 0.454 106 R N 0.516 120.890 120.500 -0.209 0.000 2.080 106 R HA 0.351 4.744 4.340 0.089 0.000 0.222 106 R C 2.769 178.755 176.300 -0.524 0.000 1.107 106 R CA 1.004 56.988 56.100 -0.195 0.000 0.980 106 R CB -0.489 29.825 30.300 0.024 0.000 0.879 106 R HN 0.442 nan 8.270 nan 0.000 0.439 107 R N 0.761 120.653 120.500 -1.014 0.000 2.091 107 R HA -0.102 4.292 4.340 0.089 0.000 0.238 107 R C 1.773 177.653 176.300 -0.700 0.000 1.136 107 R CA 1.648 56.847 56.100 -1.502 0.000 0.959 107 R CB -0.058 29.384 30.300 -1.431 0.000 0.856 107 R HN 0.088 nan 8.270 nan 0.000 0.437 108 R N -0.149 120.080 120.500 -0.452 0.000 2.241 108 R HA -0.068 4.325 4.340 0.089 0.000 0.224 108 R C 2.068 178.263 176.300 -0.174 0.000 1.101 108 R CA 1.358 57.305 56.100 -0.255 0.000 0.995 108 R CB -0.138 30.046 30.300 -0.193 0.000 0.870 108 R HN 0.372 nan 8.270 nan 0.000 0.463 109 M N -0.467 119.026 119.600 -0.179 0.000 2.476 109 M HA -0.062 4.471 4.480 0.089 0.000 0.262 109 M C 1.708 177.984 176.300 -0.040 0.000 1.079 109 M CA 1.463 56.709 55.300 -0.090 0.000 1.104 109 M CB 0.096 32.660 32.600 -0.061 0.000 1.409 109 M HN 0.158 nan 8.290 nan 0.000 0.467 110 T N -2.760 111.769 114.554 -0.042 0.000 2.975 110 T HA 0.177 4.580 4.350 0.089 0.000 0.257 110 T C 1.461 176.268 174.700 0.177 0.000 1.003 110 T CA -0.297 61.864 62.100 0.102 0.000 0.932 110 T CB -0.501 68.496 68.868 0.215 0.000 1.087 110 T HN 0.494 nan 8.240 nan 0.000 0.512 111 I N 1.726 122.328 120.570 0.053 0.000 2.454 111 I HA -0.065 4.159 4.170 0.089 0.000 0.254 111 I C 2.466 178.655 176.117 0.121 0.000 1.156 111 I CA 1.353 62.713 61.300 0.100 0.000 1.433 111 I CB -0.921 37.067 38.000 -0.020 0.000 1.082 111 I HN 0.314 nan 8.210 nan 0.000 0.432 112 S N 1.251 116.980 115.700 0.047 0.000 2.419 112 S HA -0.167 4.356 4.470 0.089 0.000 0.235 112 S C 1.699 176.277 174.600 -0.036 0.000 1.019 112 S CA 1.278 59.478 58.200 0.000 0.000 0.982 112 S CB -0.581 62.604 63.200 -0.025 0.000 0.789 112 S HN 0.612 nan 8.310 nan 0.000 0.490 113 E N 0.034 120.193 120.200 -0.067 0.000 2.481 113 E HA 0.131 4.534 4.350 0.089 0.000 0.195 113 E C 0.062 176.287 176.600 -0.626 0.000 1.047 113 E CA 0.387 56.577 56.400 -0.350 0.000 0.867 113 E CB -0.093 29.321 29.700 -0.478 0.000 0.858 113 E HN 0.748 nan 8.360 nan 0.000 0.513 114 F N 0.479 120.420 119.950 -0.016 0.000 2.724 114 F HA 0.058 4.641 4.527 0.093 0.000 0.310 114 F C 1.034 176.816 175.800 -0.029 0.000 1.107 114 F CA -0.444 57.545 58.000 -0.019 0.000 1.218 114 F CB 0.316 39.308 39.000 -0.014 0.000 1.042 114 F HN -0.231 nan 8.300 nan 0.000 0.540 115 T N -1.551 113.047 114.554 0.073 0.000 2.855 115 T HA 0.140 4.543 4.350 0.089 0.000 0.314 115 T C 1.709 176.422 174.700 0.021 0.000 1.077 115 T CA -0.015 62.108 62.100 0.037 0.000 1.095 115 T CB 1.351 70.222 68.868 0.006 0.000 0.987 115 T HN 0.112 nan 8.240 nan 0.000 0.546 116 V N 0.137 120.059 119.914 0.014 0.000 2.332 116 V HA -0.153 4.020 4.120 0.089 0.000 0.248 116 V C 2.603 178.697 176.094 0.001 0.000 1.055 116 V CA 1.954 64.259 62.300 0.008 0.000 1.038 116 V CB -1.289 30.538 31.823 0.006 0.000 0.651 116 V HN 0.997 nan 8.190 nan 0.000 0.450 117 K N -0.272 120.125 120.400 -0.005 0.000 2.057 117 K HA -0.160 4.213 4.320 0.089 0.000 0.207 117 K C 2.518 179.107 176.600 -0.019 0.000 1.049 117 K CA 1.417 57.698 56.287 -0.011 0.000 0.931 117 K CB -0.118 32.374 32.500 -0.013 0.000 0.714 117 K HN 0.349 nan 8.250 nan 0.000 0.440 118 R N 0.545 121.027 120.500 -0.030 0.000 2.075 118 R HA -0.060 4.333 4.340 0.089 0.000 0.232 118 R C 2.229 178.500 176.300 -0.048 0.000 1.126 118 R CA 0.838 56.906 56.100 -0.052 0.000 0.963 118 R CB -0.608 29.638 30.300 -0.089 0.000 0.858 118 R HN 0.284 nan 8.270 nan 0.000 0.435 119 I N 1.426 121.979 120.570 -0.030 0.000 2.208 119 I HA -0.253 3.970 4.170 0.089 0.000 0.245 119 I C 2.388 178.502 176.117 -0.005 0.000 1.097 119 I CA 1.233 62.525 61.300 -0.012 0.000 1.363 119 I CB -0.992 37.017 38.000 0.014 0.000 1.051 119 I HN 0.181 nan 8.210 nan 0.000 0.413 120 K N 0.924 121.322 120.400 -0.003 0.000 2.057 120 K HA -0.144 4.230 4.320 0.089 0.000 0.207 120 K C 2.104 178.701 176.600 -0.004 0.000 1.049 120 K CA 1.579 57.867 56.287 0.000 0.000 0.931 120 K CB -0.383 32.117 32.500 0.001 0.000 0.714 120 K HN 0.365 nan 8.250 nan 0.000 0.440 121 G N 0.602 109.394 108.800 -0.013 0.000 2.471 121 G HA2 -0.188 3.825 3.960 0.089 0.000 0.219 121 G HA3 -0.188 3.825 3.960 0.089 0.000 0.219 121 G C 1.297 176.188 174.900 -0.016 0.000 1.125 121 G CA 0.434 45.524 45.100 -0.015 0.000 0.775 121 G HN 0.253 nan 8.290 nan 0.000 0.548 122 M N -0.494 119.095 119.600 -0.018 0.000 2.514 122 M HA 0.161 4.695 4.480 0.089 0.000 0.258 122 M C 2.398 178.699 176.300 0.001 0.000 1.119 122 M CA 0.190 55.481 55.300 -0.016 0.000 1.111 122 M CB 0.005 32.589 32.600 -0.027 0.000 1.390 122 M HN 0.208 nan 8.290 nan 0.000 0.475 123 R N 1.461 121.966 120.500 0.008 0.000 2.115 123 R HA -0.182 4.211 4.340 0.089 0.000 0.239 123 R C -0.992 175.324 176.300 0.027 0.000 1.133 123 R CA 2.105 58.217 56.100 0.021 0.000 0.935 123 R CB -1.460 28.853 30.300 0.022 0.000 0.853 123 R HN 0.146 nan 8.270 nan 0.000 0.433 124 P HA -0.200 nan 4.420 nan 0.000 0.216 124 P C 0.792 178.108 177.300 0.026 0.000 1.150 124 P CA 1.540 64.654 63.100 0.024 0.000 0.843 124 P CB -0.186 31.521 31.700 0.012 0.000 0.787 125 E N -0.125 120.084 120.200 0.016 0.000 2.051 125 E HA -0.137 4.266 4.350 0.089 0.000 0.192 125 E C 1.788 178.402 176.600 0.023 0.000 0.991 125 E CA 1.342 57.749 56.400 0.012 0.000 0.799 125 E CB -0.430 29.270 29.700 -0.000 0.000 0.748 125 E HN -0.024 nan 8.360 nan 0.000 0.449 126 V N 1.733 121.663 119.914 0.026 0.000 2.343 126 V HA -0.244 3.929 4.120 0.089 0.000 0.247 126 V C 2.219 178.345 176.094 0.054 0.000 1.051 126 V CA 2.226 64.545 62.300 0.031 0.000 1.036 126 V CB -0.587 31.250 31.823 0.025 0.000 0.654 126 V HN 0.301 nan 8.190 nan 0.000 0.451 127 E N -0.098 120.148 120.200 0.077 0.000 2.058 127 E HA -0.290 4.113 4.350 0.089 0.000 0.194 127 E C 2.276 178.994 176.600 0.198 0.000 0.997 127 E CA 1.501 57.992 56.400 0.151 0.000 0.801 127 E CB -0.179 29.617 29.700 0.161 0.000 0.746 127 E HN 0.698 nan 8.360 nan 0.000 0.450 128 E N 0.816 121.086 120.200 0.117 0.000 2.077 128 E HA -0.184 4.219 4.350 0.089 0.000 0.193 128 E C 2.183 178.830 176.600 0.078 0.000 0.989 128 E CA 1.170 57.624 56.400 0.090 0.000 0.800 128 E CB 0.167 29.887 29.700 0.032 0.000 0.746 128 E HN 0.049 nan 8.360 nan 0.000 0.452 129 V N 0.569 120.520 119.914 0.061 0.000 2.295 129 V HA -0.243 3.930 4.120 0.089 0.000 0.246 129 V C 2.483 178.686 176.094 0.182 0.000 1.049 129 V CA 1.448 63.796 62.300 0.080 0.000 1.024 129 V CB -0.341 31.530 31.823 0.080 0.000 0.648 129 V HN 0.201 nan 8.190 nan 0.000 0.447 130 V N -0.223 119.768 119.914 0.128 0.000 2.287 130 V HA -0.335 3.838 4.120 0.089 0.000 0.248 130 V C 2.282 178.457 176.094 0.135 0.000 1.053 130 V CA 2.551 64.934 62.300 0.139 0.000 1.027 130 V CB -0.880 30.943 31.823 0.000 0.000 0.646 130 V HN 0.649 nan 8.190 nan 0.000 0.447 131 H N -0.243 118.916 119.070 0.148 0.000 2.423 131 H HA -0.008 4.601 4.556 0.089 0.000 0.297 131 H C 2.270 177.628 175.328 0.049 0.000 1.075 131 H CA 1.290 57.389 56.048 0.084 0.000 1.342 131 H CB -0.425 29.358 29.762 0.035 0.000 1.395 131 H HN 0.476 nan 8.280 nan 0.000 0.530 132 G N -0.219 108.642 108.800 0.102 0.000 2.418 132 G HA2 -0.240 3.774 3.960 0.089 0.000 0.217 132 G HA3 -0.240 3.774 3.960 0.089 0.000 0.217 132 G C 1.146 175.989 174.900 -0.095 0.000 1.158 132 G CA 0.603 45.667 45.100 -0.061 0.000 0.771 132 G HN 0.273 nan 8.290 nan 0.000 0.545 133 F N 0.573 120.579 119.950 0.093 0.000 2.234 133 F HA 0.163 4.744 4.527 0.089 0.000 0.299 133 F C 2.573 178.452 175.800 0.133 0.000 1.087 133 F CA 0.517 58.599 58.000 0.137 0.000 1.340 133 F CB -0.234 38.881 39.000 0.192 0.000 1.031 133 F HN 0.016 nan 8.300 nan 0.000 0.500 134 L N -0.468 120.905 121.223 0.251 0.000 2.046 134 L HA -0.226 4.167 4.340 0.089 0.000 0.208 134 L C 2.118 178.997 176.870 0.016 0.000 1.077 134 L CA 1.128 55.973 54.840 0.009 0.000 0.747 134 L CB -0.665 41.339 42.059 -0.092 0.000 0.896 134 L HN 0.040 nan 8.230 nan 0.000 0.432 135 D N -0.041 120.390 120.400 0.053 0.000 2.126 135 D HA -0.275 4.418 4.640 0.089 0.000 0.190 135 D C 1.992 178.321 176.300 0.048 0.000 1.001 135 D CA 1.625 55.646 54.000 0.035 0.000 0.841 135 D CB -0.063 40.748 40.800 0.017 0.000 0.949 135 D HN 0.400 nan 8.370 nan 0.000 0.446 136 E N -0.200 120.035 120.200 0.057 0.000 2.047 136 E HA -0.144 4.259 4.350 0.089 0.000 0.191 136 E C 2.175 178.851 176.600 0.127 0.000 0.987 136 E CA 0.586 57.035 56.400 0.083 0.000 0.799 136 E CB -0.103 29.645 29.700 0.079 0.000 0.752 136 E HN 0.165 nan 8.360 nan 0.000 0.449 137 M N 0.374 120.053 119.600 0.132 0.000 2.086 137 M HA -0.159 4.374 4.480 0.089 0.000 0.261 137 M C 2.045 178.463 176.300 0.197 0.000 1.067 137 M CA 1.406 56.792 55.300 0.143 0.000 1.116 137 M CB 0.031 32.654 32.600 0.039 0.000 1.348 137 M HN 0.207 nan 8.290 nan 0.000 0.407 138 L N -0.407 120.868 121.223 0.086 0.000 2.156 138 L HA -0.086 4.307 4.340 0.089 0.000 0.208 138 L C 2.723 179.792 176.870 0.332 0.000 1.095 138 L CA 0.841 55.799 54.840 0.197 0.000 0.770 138 L CB -1.009 41.054 42.059 0.007 0.000 0.914 138 L HN 0.354 nan 8.230 nan 0.000 0.439 139 A N 0.426 123.369 122.820 0.205 0.000 1.908 139 A HA -0.177 4.196 4.320 0.089 0.000 0.218 139 A C 2.506 180.232 177.584 0.237 0.000 1.181 139 A CA 1.862 54.012 52.037 0.189 0.000 0.627 139 A CB -0.591 18.470 19.000 0.101 0.000 0.818 139 A HN 0.396 nan 8.150 nan 0.000 0.445 140 A N -1.511 121.437 122.820 0.213 0.000 2.014 140 A HA 0.431 4.804 4.320 0.089 0.000 0.218 140 A C 1.611 179.248 177.584 0.088 0.000 1.163 140 A CA 1.506 53.633 52.037 0.149 0.000 0.652 140 A CB -1.072 18.011 19.000 0.139 0.000 0.808 140 A HN 2.214 nan 8.150 nan 0.000 0.449 141 G N -1.302 107.627 108.800 0.215 0.000 2.730 141 G HA2 -0.004 4.010 3.960 0.089 0.000 0.686 141 G HA3 -0.004 4.010 3.960 0.089 0.000 0.686 141 G C -2.960 171.792 174.900 -0.247 0.000 1.343 141 G CA -0.384 44.672 45.100 -0.073 0.000 0.826 141 G HN 0.417 nan 8.290 nan 0.000 0.582 142 P HA 0.424 nan 4.420 nan 0.000 0.276 142 P C 0.685 177.707 177.300 -0.463 0.000 1.252 142 P CA 0.264 62.762 63.100 -1.003 0.000 0.802 142 P CB 0.752 31.545 31.700 -1.513 0.000 1.035 143 T N -2.004 112.377 114.554 -0.289 0.000 2.849 143 T HA 0.658 5.061 4.350 0.089 0.000 0.284 143 T C -0.043 174.636 174.700 -0.036 0.000 1.004 143 T CA -0.592 61.383 62.100 -0.209 0.000 1.021 143 T CB 0.607 69.415 68.868 -0.100 0.000 1.013 143 T HN 0.622 nan 8.240 nan 0.000 0.527 144 A N 0.853 123.749 122.820 0.127 0.000 2.539 144 A HA 0.607 4.980 4.320 0.089 0.000 0.296 144 A C -1.024 176.666 177.584 0.177 0.000 1.073 144 A CA -0.926 51.235 52.037 0.207 0.000 0.700 144 A CB 1.695 20.921 19.000 0.377 0.000 1.296 144 A HN 0.885 nan 8.150 nan 0.000 0.405 145 D N 1.357 121.839 120.400 0.135 0.000 2.339 145 D HA 0.262 4.955 4.640 0.089 0.000 0.241 145 D C 0.785 177.164 176.300 0.132 0.000 1.183 145 D CA -0.372 53.696 54.000 0.113 0.000 0.859 145 D CB 0.835 41.684 40.800 0.080 0.000 1.067 145 D HN 0.304 nan 8.370 nan 0.000 0.484 146 L N 4.546 125.852 121.223 0.137 0.000 2.191 146 L HA -0.121 4.272 4.340 0.089 0.000 0.212 146 L C 1.771 178.734 176.870 0.154 0.000 1.103 146 L CA 1.311 56.246 54.840 0.158 0.000 0.769 146 L CB -0.076 42.070 42.059 0.145 0.000 0.908 146 L HN 0.470 nan 8.230 nan 0.000 0.438 147 V N -0.833 119.140 119.914 0.099 0.000 2.229 147 V HA -0.261 3.912 4.120 0.089 0.000 0.243 147 V C 2.587 178.706 176.094 0.042 0.000 1.042 147 V CA 1.893 64.229 62.300 0.060 0.000 1.000 147 V CB -1.039 30.809 31.823 0.040 0.000 0.637 147 V HN 0.708 nan 8.190 nan 0.000 0.446 148 S N -0.528 115.203 115.700 0.052 0.000 2.428 148 S HA -0.172 4.351 4.470 0.089 0.000 0.230 148 S C 1.742 176.371 174.600 0.049 0.000 1.014 148 S CA 0.846 59.071 58.200 0.042 0.000 0.957 148 S CB -0.291 62.939 63.200 0.051 0.000 0.784 148 S HN 0.579 nan 8.310 nan 0.000 0.499 149 Q N -0.969 118.889 119.800 0.097 0.000 2.408 149 Q HA 0.390 4.783 4.340 0.089 0.000 0.205 149 Q C 0.774 176.880 176.000 0.176 0.000 0.919 149 Q CA 0.422 56.313 55.803 0.147 0.000 0.932 149 Q CB 0.114 28.962 28.738 0.184 0.000 1.058 149 Q HN 0.713 nan 8.270 nan 0.000 0.517 150 F N -0.961 118.926 119.950 -0.104 0.000 1.827 150 F HA 0.318 4.899 4.527 0.090 0.000 0.264 150 F C 1.590 177.280 175.800 -0.183 0.000 1.109 150 F CA 0.752 58.659 58.000 -0.155 0.000 1.264 150 F CB -0.532 38.432 39.000 -0.060 0.000 1.648 150 F HN -0.154 nan 8.300 nan 0.000 0.513 151 A N 0.814 123.552 122.820 -0.137 0.000 1.902 151 A HA -0.091 4.282 4.320 0.089 0.000 0.217 151 A C 1.910 179.358 177.584 -0.226 0.000 1.181 151 A CA 2.185 54.091 52.037 -0.218 0.000 0.623 151 A CB -0.964 18.029 19.000 -0.012 0.000 0.818 151 A HN 0.475 nan 8.150 nan 0.000 0.443 152 L N -0.254 120.877 121.223 -0.153 0.000 2.102 152 L HA 0.113 4.506 4.340 0.089 0.000 0.202 152 L C -0.978 175.804 176.870 -0.146 0.000 1.076 152 L CA 1.450 56.246 54.840 -0.074 0.000 0.761 152 L CB -0.791 41.272 42.059 0.007 0.000 0.921 152 L HN 0.125 nan 8.230 nan 0.000 0.444 153 P HA -0.114 nan 4.420 nan 0.000 0.217 153 P C 2.048 178.975 177.300 -0.622 0.000 1.150 153 P CA 1.220 63.992 63.100 -0.547 0.000 0.832 153 P CB 0.031 31.047 31.700 -1.139 0.000 0.787 154 V N 1.719 121.208 119.914 -0.708 0.000 2.237 154 V HA -0.148 4.025 4.120 0.089 0.000 0.245 154 V C -0.299 175.697 176.094 -0.164 0.000 1.046 154 V CA 2.978 65.025 62.300 -0.422 0.000 1.007 154 V CB -2.386 29.120 31.823 -0.529 0.000 0.638 154 V HN 0.217 nan 8.190 nan 0.000 0.445 155 P HA -0.110 nan 4.420 nan 0.000 0.221 155 P C 1.959 179.325 177.300 0.110 0.000 1.150 155 P CA 1.752 64.860 63.100 0.013 0.000 0.800 155 P CB -0.012 31.709 31.700 0.035 0.000 0.787 156 S N -0.440 115.342 115.700 0.136 0.000 2.359 156 S HA -0.179 4.344 4.470 0.089 0.000 0.224 156 S C 2.077 176.844 174.600 0.279 0.000 1.035 156 S CA 1.433 59.775 58.200 0.236 0.000 1.018 156 S CB -0.908 62.440 63.200 0.247 0.000 0.876 156 S HN 0.020 nan 8.310 nan 0.000 0.448 157 M N 0.689 120.370 119.600 0.134 0.000 2.117 157 M HA -0.078 4.455 4.480 0.089 0.000 0.262 157 M C 1.881 178.195 176.300 0.023 0.000 1.065 157 M CA 1.597 56.859 55.300 -0.063 0.000 1.114 157 M CB -0.241 32.184 32.600 -0.292 0.000 1.361 157 M HN 0.284 nan 8.290 nan 0.000 0.408 158 V N 0.361 120.294 119.914 0.033 0.000 2.261 158 V HA -0.271 3.902 4.120 0.089 0.000 0.246 158 V C 2.266 178.392 176.094 0.053 0.000 1.047 158 V CA 1.859 64.178 62.300 0.032 0.000 1.015 158 V CB -0.702 31.137 31.823 0.026 0.000 0.642 158 V HN 0.526 nan 8.190 nan 0.000 0.446 159 I N -0.611 120.011 120.570 0.087 0.000 2.394 159 I HA -0.194 4.029 4.170 0.089 0.000 0.251 159 I C 2.377 178.535 176.117 0.068 0.000 1.136 159 I CA 1.238 62.591 61.300 0.087 0.000 1.425 159 I CB -0.434 37.639 38.000 0.123 0.000 1.079 159 I HN 0.325 nan 8.210 nan 0.000 0.425 160 C N 0.389 119.751 119.300 0.103 0.000 2.413 160 C HA -0.160 4.353 4.460 0.089 0.000 0.276 160 C C 2.824 177.881 174.990 0.111 0.000 1.236 160 C CA 0.731 59.826 59.018 0.128 0.000 1.735 160 C CB -1.204 26.716 27.740 0.300 0.000 2.031 160 C HN 0.432 nan 8.230 nan 0.000 0.474 161 R N 0.335 120.887 120.500 0.087 0.000 2.092 161 R HA -0.028 4.365 4.340 0.089 0.000 0.231 161 R C 2.109 178.425 176.300 0.026 0.000 1.119 161 R CA 0.947 57.081 56.100 0.058 0.000 0.970 161 R CB -1.276 29.043 30.300 0.032 0.000 0.864 161 R HN 0.608 nan 8.270 nan 0.000 0.440 162 L N 0.619 121.842 121.223 0.001 0.000 2.046 162 L HA -0.132 4.261 4.340 0.089 0.000 0.208 162 L C 1.994 178.849 176.870 -0.025 0.000 1.077 162 L CA 1.403 56.211 54.840 -0.053 0.000 0.747 162 L CB -0.111 41.890 42.059 -0.095 0.000 0.896 162 L HN 0.107 nan 8.230 nan 0.000 0.432 163 L N -0.799 120.438 121.223 0.023 0.000 2.341 163 L HA 0.164 4.557 4.340 0.089 0.000 0.214 163 L C 1.502 178.415 176.870 0.071 0.000 1.115 163 L CA 0.612 55.476 54.840 0.041 0.000 0.820 163 L CB -0.431 41.658 42.059 0.050 0.000 0.944 163 L HN 0.524 nan 8.230 nan 0.000 0.452 164 G N 0.513 109.380 108.800 0.112 0.000 2.137 164 G HA2 -0.225 3.788 3.960 0.089 0.000 0.237 164 G HA3 -0.225 3.788 3.960 0.089 0.000 0.237 164 G C 0.021 175.078 174.900 0.262 0.000 1.002 164 G CA -0.040 45.192 45.100 0.221 0.000 0.702 164 G HN 0.093 nan 8.290 nan 0.000 0.515 165 V N 2.390 122.413 119.914 0.181 0.000 2.432 165 V HA 0.452 4.625 4.120 0.089 0.000 0.275 165 V C -1.398 174.843 176.094 0.245 0.000 1.043 165 V CA -1.518 60.895 62.300 0.188 0.000 0.925 165 V CB 1.545 33.420 31.823 0.087 0.000 0.985 165 V HN 0.221 nan 8.190 nan 0.000 0.466 166 P HA 0.035 nan 4.420 nan 0.000 0.271 166 P C 0.106 177.645 177.300 0.398 0.000 1.226 166 P CA -0.010 63.258 63.100 0.280 0.000 0.765 166 P CB 0.446 32.268 31.700 0.204 0.000 0.835 167 Y N 4.271 124.738 120.300 0.277 0.000 2.483 167 Y HA -0.148 4.455 4.550 0.088 0.000 0.291 167 Y C 2.258 178.373 175.900 0.358 0.000 1.143 167 Y CA 1.646 59.949 58.100 0.337 0.000 1.289 167 Y CB -0.624 37.972 38.460 0.227 0.000 0.983 167 Y HN 0.466 nan 8.280 nan 0.000 0.556 168 A N -0.346 122.608 122.820 0.223 0.000 2.076 168 A HA -0.182 4.191 4.320 0.089 0.000 0.220 168 A C 1.480 179.021 177.584 -0.071 0.000 1.160 168 A CA 1.910 54.001 52.037 0.090 0.000 0.653 168 A CB -0.486 18.573 19.000 0.098 0.000 0.801 168 A HN 0.504 nan 8.150 nan 0.000 0.455 169 D N -1.147 119.253 120.400 -0.000 0.000 2.358 169 D HA 0.006 4.699 4.640 0.089 0.000 0.224 169 D C 1.401 177.444 176.300 -0.428 0.000 1.123 169 D CA 0.350 54.296 54.000 -0.089 0.000 0.833 169 D CB -0.379 40.490 40.800 0.114 0.000 0.946 169 D HN 0.820 nan 8.370 nan 0.000 0.505 170 H N 0.580 119.212 119.070 -0.729 0.000 2.352 170 H HA -0.048 4.560 4.556 0.088 0.000 0.299 170 H C 1.237 175.926 175.328 -1.065 0.000 1.097 170 H CA 0.985 56.173 56.048 -1.434 0.000 1.311 170 H CB -0.112 28.910 29.762 -1.234 0.000 1.377 170 H HN 0.175 nan 8.280 nan 0.000 0.504 171 E N 0.412 120.006 120.200 -1.009 0.000 2.058 171 E HA -0.166 4.237 4.350 0.089 0.000 0.194 171 E C 2.136 178.502 176.600 -0.389 0.000 0.997 171 E CA 1.341 57.413 56.400 -0.548 0.000 0.801 171 E CB -0.319 29.111 29.700 -0.449 0.000 0.746 171 E HN 0.418 nan 8.360 nan 0.000 0.450 172 F N 1.885 121.549 119.950 -0.477 0.000 2.046 172 F HA -0.264 4.316 4.527 0.088 0.000 0.297 172 F C 2.127 177.765 175.800 -0.270 0.000 1.123 172 F CA 1.860 59.660 58.000 -0.332 0.000 1.199 172 F CB -0.530 38.273 39.000 -0.328 0.000 0.972 172 F HN 0.059 nan 8.300 nan 0.000 0.474 173 F N 0.573 120.229 119.950 -0.490 0.000 2.325 173 F HA 0.066 4.647 4.527 0.090 0.000 0.299 173 F C 2.063 177.672 175.800 -0.318 0.000 1.090 173 F CA 0.913 58.581 58.000 -0.553 0.000 1.392 173 F CB -1.604 37.225 39.000 -0.286 0.000 1.053 173 F HN 0.118 nan 8.300 nan 0.000 0.521 174 Q N 0.583 120.148 119.800 -0.392 0.000 2.079 174 Q HA -0.188 4.205 4.340 0.089 0.000 0.200 174 Q C 1.735 177.706 176.000 -0.048 0.000 0.974 174 Q CA 1.785 57.541 55.803 -0.079 0.000 0.840 174 Q CB -0.410 28.224 28.738 -0.174 0.000 0.898 174 Q HN 0.538 nan 8.270 nan 0.000 0.430 175 D N 0.248 120.542 120.400 -0.176 0.000 2.097 175 D HA -0.145 4.548 4.640 0.089 0.000 0.195 175 D C 1.775 177.986 176.300 -0.150 0.000 0.989 175 D CA 1.463 55.378 54.000 -0.143 0.000 0.827 175 D CB -0.027 40.679 40.800 -0.156 0.000 0.966 175 D HN 0.237 nan 8.370 nan 0.000 0.456 176 A N -0.293 122.366 122.820 -0.268 0.000 1.902 176 A HA -0.136 4.237 4.320 0.089 0.000 0.217 176 A C 2.378 179.899 177.584 -0.105 0.000 1.181 176 A CA 1.970 53.860 52.037 -0.244 0.000 0.623 176 A CB -0.735 17.987 19.000 -0.463 0.000 0.818 176 A HN 0.253 nan 8.150 nan 0.000 0.443 177 S N -0.553 115.131 115.700 -0.026 0.000 2.368 177 S HA -0.169 4.354 4.470 0.089 0.000 0.225 177 S C 2.012 176.615 174.600 0.005 0.000 1.030 177 S CA 1.657 59.889 58.200 0.053 0.000 0.999 177 S CB -0.243 63.109 63.200 0.254 0.000 0.844 177 S HN 0.680 nan 8.310 nan 0.000 0.459 178 K N 1.100 121.502 120.400 0.003 0.000 2.057 178 K HA -0.056 4.317 4.320 0.089 0.000 0.207 178 K C 2.314 178.895 176.600 -0.031 0.000 1.049 178 K CA 1.041 57.317 56.287 -0.019 0.000 0.931 178 K CB -0.065 32.427 32.500 -0.015 0.000 0.714 178 K HN 0.188 nan 8.250 nan 0.000 0.440 179 R N 0.243 120.719 120.500 -0.040 0.000 2.096 179 R HA -0.134 4.259 4.340 0.089 0.000 0.235 179 R C 2.346 178.624 176.300 -0.037 0.000 1.127 179 R CA 1.120 57.196 56.100 -0.041 0.000 0.968 179 R CB -0.335 29.935 30.300 -0.049 0.000 0.861 179 R HN 0.191 nan 8.270 nan 0.000 0.440 180 L N 0.487 121.687 121.223 -0.038 0.000 2.023 180 L HA -0.095 4.298 4.340 0.089 0.000 0.205 180 L C 2.064 178.915 176.870 -0.033 0.000 1.073 180 L CA 1.580 56.398 54.840 -0.037 0.000 0.745 180 L CB -0.448 41.589 42.059 -0.037 0.000 0.900 180 L HN -0.127 nan 8.230 nan 0.000 0.435 181 V N -0.368 119.528 119.914 -0.031 0.000 2.490 181 V HA -0.257 3.916 4.120 0.089 0.000 0.250 181 V C 2.033 178.113 176.094 -0.024 0.000 1.061 181 V CA 1.936 64.220 62.300 -0.027 0.000 1.064 181 V CB -0.616 31.183 31.823 -0.040 0.000 0.670 181 V HN 0.603 nan 8.190 nan 0.000 0.461 182 Q N -0.272 119.510 119.800 -0.029 0.000 2.194 182 Q HA 0.186 4.579 4.340 0.089 0.000 0.214 182 Q C 0.707 176.688 176.000 -0.032 0.000 0.838 182 Q CA -0.056 55.729 55.803 -0.030 0.000 0.972 182 Q CB 0.623 29.342 28.738 -0.032 0.000 1.131 182 Q HN 0.705 nan 8.270 nan 0.000 0.498 183 S N 0.639 116.320 115.700 -0.031 0.000 2.552 183 S HA -0.002 4.521 4.470 0.089 0.000 0.289 183 S C 1.098 175.674 174.600 -0.040 0.000 1.304 183 S CA 0.264 58.444 58.200 -0.033 0.000 1.063 183 S CB 0.896 64.078 63.200 -0.030 0.000 0.848 183 S HN 0.327 nan 8.310 nan 0.000 0.499 184 T N -2.358 112.171 114.554 -0.042 0.000 3.069 184 T HA 0.212 4.615 4.350 0.089 0.000 0.252 184 T C 0.002 174.668 174.700 -0.057 0.000 1.053 184 T CA -0.071 61.995 62.100 -0.057 0.000 0.964 184 T CB -0.500 68.338 68.868 -0.050 0.000 1.005 184 T HN 0.860 nan 8.240 nan 0.000 0.532 185 D N -0.411 119.966 120.400 -0.039 0.000 2.581 185 D HA 0.519 5.212 4.640 0.089 0.000 0.232 185 D C 0.923 177.214 176.300 -0.016 0.000 1.143 185 D CA -0.705 53.280 54.000 -0.025 0.000 0.881 185 D CB 1.850 42.643 40.800 -0.012 0.000 1.500 185 D HN -0.010 nan 8.370 nan 0.000 0.458 186 A N 0.783 123.602 122.820 -0.001 0.000 1.930 186 A HA -0.227 4.146 4.320 0.089 0.000 0.217 186 A C 2.144 179.727 177.584 -0.002 0.000 1.175 186 A CA 1.935 53.974 52.037 0.004 0.000 0.627 186 A CB -0.724 18.291 19.000 0.025 0.000 0.815 186 A HN 0.724 nan 8.150 nan 0.000 0.443 187 Q N -0.394 119.407 119.800 0.002 0.000 2.050 187 Q HA -0.184 4.209 4.340 0.089 0.000 0.202 187 Q C 2.294 178.292 176.000 -0.005 0.000 0.980 187 Q CA 2.036 57.839 55.803 0.001 0.000 0.840 187 Q CB -0.263 28.477 28.738 0.004 0.000 0.898 187 Q HN 0.592 nan 8.270 nan 0.000 0.424 188 S N -0.560 115.134 115.700 -0.009 0.000 2.368 188 S HA -0.142 4.381 4.470 0.089 0.000 0.225 188 S C 1.925 176.513 174.600 -0.019 0.000 1.030 188 S CA 1.186 59.377 58.200 -0.014 0.000 0.999 188 S CB -0.399 62.791 63.200 -0.017 0.000 0.844 188 S HN 0.557 nan 8.310 nan 0.000 0.459 189 A N 1.405 124.211 122.820 -0.022 0.000 1.877 189 A HA 0.018 4.391 4.320 0.089 0.000 0.216 189 A C 2.226 179.792 177.584 -0.030 0.000 1.186 189 A CA 1.538 53.556 52.037 -0.031 0.000 0.620 189 A CB -0.889 18.089 19.000 -0.037 0.000 0.822 189 A HN 0.569 nan 8.150 nan 0.000 0.443 190 L N -0.732 120.477 121.223 -0.023 0.000 2.046 190 L HA -0.163 4.230 4.340 0.089 0.000 0.208 190 L C 2.811 179.678 176.870 -0.006 0.000 1.077 190 L CA 1.760 56.590 54.840 -0.018 0.000 0.747 190 L CB -0.790 41.262 42.059 -0.012 0.000 0.896 190 L HN 0.370 nan 8.230 nan 0.000 0.432 191 T N -0.236 114.317 114.554 -0.002 0.000 2.746 191 T HA -0.169 4.234 4.350 0.089 0.000 0.267 191 T C 2.009 176.714 174.700 0.009 0.000 1.039 191 T CA 1.293 63.398 62.100 0.008 0.000 1.142 191 T CB -0.260 68.613 68.868 0.007 0.000 0.866 191 T HN 0.445 nan 8.240 nan 0.000 0.444 192 A N 1.638 124.451 122.820 -0.010 0.000 1.877 192 A HA -0.105 4.268 4.320 0.089 0.000 0.216 192 A C 2.337 179.912 177.584 -0.015 0.000 1.186 192 A CA 1.551 53.572 52.037 -0.027 0.000 0.620 192 A CB -0.585 18.389 19.000 -0.043 0.000 0.822 192 A HN 0.349 nan 8.150 nan 0.000 0.443 193 R N -0.144 120.349 120.500 -0.011 0.000 2.081 193 R HA -0.153 4.241 4.340 0.089 0.000 0.235 193 R C 1.992 178.310 176.300 0.031 0.000 1.131 193 R CA 1.842 57.941 56.100 -0.001 0.000 0.960 193 R CB -0.459 29.828 30.300 -0.022 0.000 0.856 193 R HN 0.752 nan 8.270 nan 0.000 0.436 194 N N 0.020 118.740 118.700 0.033 0.000 2.120 194 N HA -0.160 4.634 4.740 0.089 0.000 0.188 194 N C 1.196 176.768 175.510 0.103 0.000 1.024 194 N CA 1.318 54.402 53.050 0.056 0.000 0.852 194 N CB -0.077 38.436 38.487 0.043 0.000 1.003 194 N HN 0.213 nan 8.380 nan 0.000 0.424 195 D N 1.090 121.560 120.400 0.116 0.000 2.092 195 D HA -0.124 4.569 4.640 0.089 0.000 0.193 195 D C 2.063 178.570 176.300 0.345 0.000 0.994 195 D CA 0.866 54.999 54.000 0.222 0.000 0.828 195 D CB -0.364 40.533 40.800 0.162 0.000 0.963 195 D HN 0.243 nan 8.370 nan 0.000 0.450 196 L N 0.584 121.929 121.223 0.203 0.000 2.056 196 L HA -0.122 4.271 4.340 0.089 0.000 0.207 196 L C 2.547 179.582 176.870 0.274 0.000 1.078 196 L CA 1.036 56.030 54.840 0.256 0.000 0.749 196 L CB -0.374 41.751 42.059 0.111 0.000 0.901 196 L HN -0.029 nan 8.230 nan 0.000 0.433 197 A N 0.299 123.219 122.820 0.167 0.000 1.877 197 A HA -0.148 4.225 4.320 0.089 0.000 0.216 197 A C 2.396 180.057 177.584 0.129 0.000 1.186 197 A CA 1.817 53.927 52.037 0.121 0.000 0.620 197 A CB -1.299 17.744 19.000 0.073 0.000 0.822 197 A HN 0.442 nan 8.150 nan 0.000 0.443 198 G N -1.796 107.094 108.800 0.150 0.000 2.418 198 G HA2 -0.262 3.751 3.960 0.089 0.000 0.217 198 G HA3 -0.262 3.751 3.960 0.089 0.000 0.217 198 G C 1.546 176.529 174.900 0.138 0.000 1.158 198 G CA 1.283 46.455 45.100 0.121 0.000 0.771 198 G HN 0.595 nan 8.290 nan 0.000 0.545 199 Y N 1.182 121.546 120.300 0.107 0.000 2.114 199 Y HA -0.041 4.561 4.550 0.087 0.000 0.284 199 Y C 2.529 178.478 175.900 0.080 0.000 1.143 199 Y CA 1.484 59.635 58.100 0.085 0.000 1.135 199 Y CB -0.345 38.272 38.460 0.261 0.000 0.980 199 Y HN 0.109 nan 8.280 nan 0.000 0.499 200 L N -0.088 121.148 121.223 0.021 0.000 2.093 200 L HA -0.172 4.221 4.340 0.089 0.000 0.208 200 L C 2.166 178.996 176.870 -0.066 0.000 1.085 200 L CA 1.666 56.459 54.840 -0.079 0.000 0.755 200 L CB -0.625 41.474 42.059 0.068 0.000 0.904 200 L HN 0.211 nan 8.230 nan 0.000 0.435 201 D N 0.103 120.494 120.400 -0.016 0.000 2.144 201 D HA -0.156 4.537 4.640 0.089 0.000 0.199 201 D C 2.176 178.449 176.300 -0.046 0.000 0.984 201 D CA 1.389 55.382 54.000 -0.011 0.000 0.834 201 D CB -0.052 40.754 40.800 0.010 0.000 0.955 201 D HN 0.214 nan 8.370 nan 0.000 0.465 202 G N 0.203 108.949 108.800 -0.090 0.000 2.418 202 G HA2 -0.239 3.774 3.960 0.089 0.000 0.217 202 G HA3 -0.239 3.774 3.960 0.089 0.000 0.217 202 G C 1.516 176.314 174.900 -0.170 0.000 1.158 202 G CA 0.819 45.846 45.100 -0.123 0.000 0.771 202 G HN 0.336 nan 8.290 nan 0.000 0.545 203 L N 0.827 121.898 121.223 -0.253 0.000 2.046 203 L HA 0.059 4.452 4.340 0.089 0.000 0.208 203 L C 2.706 179.543 176.870 -0.056 0.000 1.077 203 L CA 1.242 55.928 54.840 -0.257 0.000 0.747 203 L CB -0.410 41.484 42.059 -0.276 0.000 0.896 203 L HN 0.278 nan 8.230 nan 0.000 0.432 204 I N -1.238 119.363 120.570 0.052 0.000 2.163 204 I HA -0.346 3.877 4.170 0.089 0.000 0.243 204 I C 2.218 178.394 176.117 0.099 0.000 1.085 204 I CA 1.841 63.229 61.300 0.147 0.000 1.347 204 I CB -0.739 37.308 38.000 0.077 0.000 1.044 204 I HN 0.252 nan 8.210 nan 0.000 0.408 205 T N -0.112 114.453 114.554 0.017 0.000 2.720 205 T HA -0.278 4.126 4.350 0.089 0.000 0.268 205 T C 1.849 176.540 174.700 -0.016 0.000 1.037 205 T CA 1.476 63.577 62.100 0.002 0.000 1.144 205 T CB -0.281 68.575 68.868 -0.020 0.000 0.864 205 T HN 0.416 nan 8.240 nan 0.000 0.444 206 Q N -0.333 119.418 119.800 -0.081 0.000 2.096 206 Q HA -0.130 4.263 4.340 0.089 0.000 0.204 206 Q C 1.885 177.814 176.000 -0.119 0.000 0.982 206 Q CA 1.498 57.211 55.803 -0.150 0.000 0.850 206 Q CB -0.233 28.338 28.738 -0.279 0.000 0.901 206 Q HN 0.484 nan 8.270 nan 0.000 0.422 207 F N 1.008 120.938 119.950 -0.034 0.000 2.293 207 F HA -0.136 4.444 4.527 0.089 0.000 0.300 207 F C 2.339 178.128 175.800 -0.018 0.000 1.086 207 F CA 1.170 59.156 58.000 -0.024 0.000 1.375 207 F CB -0.183 38.802 39.000 -0.025 0.000 1.045 207 F HN 0.178 nan 8.300 nan 0.000 0.516 208 Q N -0.925 118.968 119.800 0.156 0.000 2.172 208 Q HA -0.116 4.277 4.340 0.089 0.000 0.200 208 Q C 2.051 178.082 176.000 0.052 0.000 0.964 208 Q CA 1.800 57.653 55.803 0.084 0.000 0.855 208 Q CB -0.324 28.447 28.738 0.054 0.000 0.918 208 Q HN 0.327 nan 8.270 nan 0.000 0.444 209 T N 0.199 114.774 114.554 0.035 0.000 2.770 209 T HA -0.076 4.328 4.350 0.089 0.000 0.258 209 T C 0.455 175.169 174.700 0.024 0.000 1.039 209 T CA 0.983 63.092 62.100 0.015 0.000 1.143 209 T CB 0.095 68.958 68.868 -0.009 0.000 0.866 209 T HN 0.019 nan 8.240 nan 0.000 0.428 210 E N 1.654 121.872 120.200 0.031 0.000 2.402 210 E HA 0.350 4.753 4.350 0.089 0.000 0.244 210 E C -2.932 173.739 176.600 0.120 0.000 0.945 210 E CA -2.880 53.546 56.400 0.042 0.000 0.774 210 E CB 1.099 30.800 29.700 0.002 0.000 1.296 210 E HN 0.026 nan 8.360 nan 0.000 0.414 211 P HA 0.188 nan 4.420 nan 0.000 0.264 211 P C -0.293 177.153 177.300 0.244 0.000 1.183 211 P CA 0.249 63.461 63.100 0.186 0.000 0.763 211 P CB 1.022 32.771 31.700 0.083 0.000 0.807 212 G N 1.057 110.106 108.800 0.415 0.000 2.798 212 G HA2 0.668 4.681 3.960 0.089 0.000 0.286 212 G HA3 0.668 4.681 3.960 0.089 0.000 0.286 212 G C -1.287 173.747 174.900 0.223 0.000 1.389 212 G CA -0.590 44.775 45.100 0.442 0.000 0.894 212 G HN 0.558 nan 8.290 nan 0.000 0.488 213 A N -1.498 121.451 122.820 0.215 0.000 2.287 213 A HA 0.898 5.271 4.320 0.089 0.000 0.273 213 A C 0.922 178.529 177.584 0.038 0.000 1.091 213 A CA 0.759 52.842 52.037 0.077 0.000 0.817 213 A CB 0.200 19.245 19.000 0.074 0.000 1.069 213 A HN 2.721 nan 8.150 nan 0.000 0.492 214 G N -1.465 107.318 108.800 -0.029 0.000 2.662 214 G HA2 0.169 4.183 3.960 0.089 0.000 0.686 214 G HA3 0.169 4.183 3.960 0.089 0.000 0.686 214 G C 0.161 174.988 174.900 -0.121 0.000 1.271 214 G CA 0.020 45.094 45.100 -0.043 0.000 0.816 214 G HN 1.875 nan 8.290 nan 0.000 0.608 215 L N 0.879 122.052 121.223 -0.084 0.000 2.046 215 L HA 0.012 4.405 4.340 0.089 0.000 0.208 215 L C 2.980 179.771 176.870 -0.132 0.000 1.077 215 L CA 2.963 57.754 54.840 -0.082 0.000 0.747 215 L CB -0.686 41.365 42.059 -0.013 0.000 0.896 215 L HN 0.846 nan 8.230 nan 0.000 0.432 216 V N 0.152 119.981 119.914 -0.141 0.000 2.343 216 V HA -0.229 3.944 4.120 0.089 0.000 0.247 216 V C 2.641 178.392 176.094 -0.572 0.000 1.051 216 V CA 1.782 63.959 62.300 -0.205 0.000 1.036 216 V CB -1.716 30.093 31.823 -0.024 0.000 0.654 216 V HN 0.636 nan 8.190 nan 0.000 0.451 217 G N -0.447 107.750 108.800 -1.006 0.000 2.418 217 G HA2 -0.207 3.807 3.960 0.089 0.000 0.217 217 G HA3 -0.207 3.807 3.960 0.089 0.000 0.217 217 G C 1.752 176.331 174.900 -0.534 0.000 1.158 217 G CA 1.087 45.394 45.100 -1.322 0.000 0.771 217 G HN 0.616 nan 8.290 nan 0.000 0.545 218 A N 0.534 123.159 122.820 -0.325 0.000 1.898 218 A HA 0.155 4.528 4.320 0.089 0.000 0.216 218 A C 2.432 179.929 177.584 -0.145 0.000 1.181 218 A CA 1.165 53.093 52.037 -0.181 0.000 0.620 218 A CB -0.394 18.532 19.000 -0.124 0.000 0.819 218 A HN 0.340 nan 8.150 nan 0.000 0.442 219 L N -0.458 120.680 121.223 -0.142 0.000 2.083 219 L HA -0.164 4.229 4.340 0.089 0.000 0.209 219 L C 2.500 179.319 176.870 -0.086 0.000 1.083 219 L CA 0.990 55.778 54.840 -0.088 0.000 0.752 219 L CB -0.581 41.444 42.059 -0.057 0.000 0.899 219 L HN 0.243 nan 8.230 nan 0.000 0.433 220 V N 0.055 119.891 119.914 -0.131 0.000 2.307 220 V HA -0.262 3.911 4.120 0.089 0.000 0.245 220 V C 2.706 178.764 176.094 -0.059 0.000 1.045 220 V CA 1.875 64.127 62.300 -0.080 0.000 1.024 220 V CB -0.835 30.944 31.823 -0.073 0.000 0.651 220 V HN 0.479 nan 8.190 nan 0.000 0.449 221 A N -0.938 121.830 122.820 -0.086 0.000 2.015 221 A HA -0.181 4.192 4.320 0.089 0.000 0.219 221 A C 1.927 179.487 177.584 -0.040 0.000 1.163 221 A CA 2.025 54.032 52.037 -0.051 0.000 0.646 221 A CB -0.291 18.673 19.000 -0.060 0.000 0.806 221 A HN 0.605 nan 8.150 nan 0.000 0.448 222 D N -1.824 118.547 120.400 -0.048 0.000 3.013 222 D HA 0.055 4.748 4.640 0.089 0.000 0.256 222 D C 1.978 178.259 176.300 -0.031 0.000 1.573 222 D CA 0.649 54.627 54.000 -0.038 0.000 1.197 222 D CB -0.330 40.444 40.800 -0.043 0.000 1.041 222 D HN 0.139 nan 8.370 nan 0.000 0.304 223 Q N 0.240 120.021 119.800 -0.033 0.000 2.061 223 Q HA -0.071 4.322 4.340 0.089 0.000 0.204 223 Q C 2.091 178.081 176.000 -0.017 0.000 0.984 223 Q CA 1.174 56.962 55.803 -0.024 0.000 0.846 223 Q CB -0.371 28.352 28.738 -0.024 0.000 0.902 223 Q HN 0.265 nan 8.270 nan 0.000 0.421 224 L N 0.158 121.370 121.223 -0.017 0.000 2.046 224 L HA -0.063 4.330 4.340 0.089 0.000 0.208 224 L C 1.984 178.851 176.870 -0.006 0.000 1.077 224 L CA 2.078 56.914 54.840 -0.008 0.000 0.747 224 L CB -0.988 41.068 42.059 -0.005 0.000 0.896 224 L HN 0.199 nan 8.230 nan 0.000 0.432 225 A N -0.900 121.914 122.820 -0.009 0.000 2.076 225 A HA -0.182 4.191 4.320 0.089 0.000 0.220 225 A C 1.917 179.497 177.584 -0.006 0.000 1.160 225 A CA 1.787 53.821 52.037 -0.006 0.000 0.653 225 A CB -0.667 18.329 19.000 -0.008 0.000 0.801 225 A HN 0.665 nan 8.150 nan 0.000 0.455 226 N N -1.061 117.633 118.700 -0.009 0.000 2.280 226 N HA 0.136 4.929 4.740 0.089 0.000 0.192 226 N C 1.024 176.530 175.510 -0.007 0.000 1.109 226 N CA 0.777 53.822 53.050 -0.009 0.000 0.855 226 N CB 0.457 38.937 38.487 -0.013 0.000 0.974 226 N HN 0.574 nan 8.380 nan 0.000 0.482 227 G N 1.732 110.529 108.800 -0.004 0.000 2.168 227 G HA2 -0.300 3.713 3.960 0.089 0.000 0.257 227 G HA3 -0.300 3.713 3.960 0.089 0.000 0.257 227 G C 0.677 175.576 174.900 -0.002 0.000 0.997 227 G CA 0.489 45.588 45.100 -0.002 0.000 0.708 227 G HN 0.447 nan 8.290 nan 0.000 0.520 228 E N -1.059 119.137 120.200 -0.006 0.000 2.442 228 E HA 0.373 4.776 4.350 0.089 0.000 0.195 228 E C 0.976 177.573 176.600 -0.004 0.000 1.030 228 E CA 0.317 56.712 56.400 -0.008 0.000 0.869 228 E CB 0.748 30.439 29.700 -0.015 0.000 0.857 228 E HN 0.655 nan 8.360 nan 0.000 0.505 229 I N 0.998 121.568 120.570 0.000 0.000 2.686 229 I HA 0.168 4.391 4.170 0.089 0.000 0.295 229 I C -1.406 174.718 176.117 0.011 0.000 1.114 229 I CA -0.995 60.310 61.300 0.009 0.000 1.038 229 I CB 1.875 39.882 38.000 0.012 0.000 1.238 229 I HN -0.240 nan 8.210 nan 0.000 0.420 230 D N 5.662 126.071 120.400 0.016 0.000 2.372 230 D HA 0.141 4.834 4.640 0.089 0.000 0.243 230 D C 0.885 177.195 176.300 0.017 0.000 1.121 230 D CA -0.099 53.910 54.000 0.015 0.000 0.898 230 D CB 1.367 42.176 40.800 0.016 0.000 1.202 230 D HN 0.487 nan 8.370 nan 0.000 0.428 231 R N 1.245 121.754 120.500 0.015 0.000 2.096 231 R HA -0.185 4.208 4.340 0.089 0.000 0.240 231 R C 1.345 177.657 176.300 0.019 0.000 1.139 231 R CA 1.426 57.537 56.100 0.017 0.000 0.952 231 R CB 0.157 30.466 30.300 0.016 0.000 0.854 231 R HN 0.432 nan 8.270 nan 0.000 0.436 232 E N 0.235 120.445 120.200 0.017 0.000 2.204 232 E HA -0.174 4.229 4.350 0.089 0.000 0.194 232 E C 1.827 178.437 176.600 0.017 0.000 0.989 232 E CA 0.996 57.406 56.400 0.017 0.000 0.824 232 E CB 0.027 29.735 29.700 0.012 0.000 0.756 232 E HN 0.541 nan 8.360 nan 0.000 0.477 233 E N 0.563 120.776 120.200 0.021 0.000 2.072 233 E HA -0.161 4.243 4.350 0.089 0.000 0.191 233 E C 2.061 178.683 176.600 0.036 0.000 0.985 233 E CA 0.400 56.818 56.400 0.029 0.000 0.801 233 E CB -0.065 29.658 29.700 0.038 0.000 0.750 233 E HN 0.058 nan 8.360 nan 0.000 0.452 234 L N 1.545 122.788 121.223 0.033 0.000 2.012 234 L HA -0.175 4.218 4.340 0.089 0.000 0.210 234 L C 1.961 178.852 176.870 0.035 0.000 1.073 234 L CA 1.552 56.413 54.840 0.035 0.000 0.748 234 L CB -0.721 41.353 42.059 0.025 0.000 0.891 234 L HN 0.134 nan 8.230 nan 0.000 0.431 235 I N -0.761 119.828 120.570 0.031 0.000 2.127 235 I HA -0.334 3.889 4.170 0.089 0.000 0.241 235 I C 2.412 178.544 176.117 0.025 0.000 1.075 235 I CA 1.557 62.877 61.300 0.034 0.000 1.334 235 I CB -0.504 37.516 38.000 0.034 0.000 1.040 235 I HN 0.225 nan 8.210 nan 0.000 0.405 236 S N 0.103 115.810 115.700 0.011 0.000 2.383 236 S HA -0.183 4.340 4.470 0.089 0.000 0.229 236 S C 2.021 176.605 174.600 -0.027 0.000 1.030 236 S CA 1.988 60.180 58.200 -0.013 0.000 1.002 236 S CB -0.434 62.752 63.200 -0.024 0.000 0.829 236 S HN 0.489 nan 8.310 nan 0.000 0.467 237 T N 2.313 116.866 114.554 -0.002 0.000 2.737 237 T HA 0.003 4.406 4.350 0.089 0.000 0.265 237 T C 2.194 176.901 174.700 0.011 0.000 1.038 237 T CA 1.203 63.303 62.100 -0.001 0.000 1.144 237 T CB -0.522 68.401 68.868 0.092 0.000 0.866 237 T HN 0.466 nan 8.240 nan 0.000 0.434 238 A N 1.281 124.122 122.820 0.035 0.000 1.933 238 A HA -0.027 4.346 4.320 0.089 0.000 0.218 238 A C 2.317 179.919 177.584 0.031 0.000 1.175 238 A CA 1.597 53.661 52.037 0.044 0.000 0.628 238 A CB -0.710 18.321 19.000 0.052 0.000 0.814 238 A HN 0.480 nan 8.150 nan 0.000 0.444 239 M N -1.003 118.610 119.600 0.022 0.000 2.086 239 M HA -0.130 4.403 4.480 0.089 0.000 0.261 239 M C 2.109 178.406 176.300 -0.005 0.000 1.067 239 M CA 1.953 57.264 55.300 0.018 0.000 1.116 239 M CB -0.219 32.390 32.600 0.015 0.000 1.348 239 M HN 0.441 nan 8.290 nan 0.000 0.407 240 L N 0.832 122.029 121.223 -0.042 0.000 2.012 240 L HA -0.216 4.178 4.340 0.089 0.000 0.210 240 L C 1.891 178.735 176.870 -0.044 0.000 1.073 240 L CA 1.902 56.695 54.840 -0.078 0.000 0.748 240 L CB -0.835 41.120 42.059 -0.174 0.000 0.891 240 L HN 0.283 nan 8.230 nan 0.000 0.431 241 L N -1.217 119.997 121.223 -0.015 0.000 2.093 241 L HA -0.125 4.268 4.340 0.089 0.000 0.208 241 L C 2.331 179.248 176.870 0.077 0.000 1.085 241 L CA 1.344 56.212 54.840 0.047 0.000 0.755 241 L CB -1.215 40.916 42.059 0.119 0.000 0.904 241 L HN 0.327 nan 8.230 nan 0.000 0.435 242 L N -0.604 120.650 121.223 0.051 0.000 2.017 242 L HA -0.192 4.201 4.340 0.089 0.000 0.208 242 L C 2.312 179.296 176.870 0.189 0.000 1.073 242 L CA 1.822 56.686 54.840 0.041 0.000 0.745 242 L CB -0.378 41.641 42.059 -0.067 0.000 0.894 242 L HN 0.161 nan 8.230 nan 0.000 0.432 243 I N -0.766 119.875 120.570 0.119 0.000 2.162 243 I HA -0.236 3.988 4.170 0.089 0.000 0.238 243 I C 2.579 178.681 176.117 -0.025 0.000 1.076 243 I CA 1.125 62.468 61.300 0.072 0.000 1.353 243 I CB -0.713 37.296 38.000 0.014 0.000 1.063 243 I HN 0.317 nan 8.210 nan 0.000 0.408 244 A N 0.955 123.774 122.820 -0.003 0.000 1.940 244 A HA -0.163 4.210 4.320 0.089 0.000 0.219 244 A C 2.347 179.952 177.584 0.035 0.000 1.176 244 A CA 1.989 54.024 52.037 -0.003 0.000 0.631 244 A CB -1.426 17.570 19.000 -0.006 0.000 0.814 244 A HN 0.509 nan 8.150 nan 0.000 0.446 245 G N -1.450 107.406 108.800 0.094 0.000 2.534 245 G HA2 -0.098 3.916 3.960 0.089 0.000 0.217 245 G HA3 -0.098 3.916 3.960 0.089 0.000 0.217 245 G C 1.319 176.329 174.900 0.184 0.000 1.128 245 G CA 1.343 46.532 45.100 0.150 0.000 0.784 245 G HN 0.888 nan 8.290 nan 0.000 0.542 246 H N -1.544 117.566 119.070 0.067 0.000 2.545 246 H HA 0.163 4.772 4.556 0.088 0.000 0.251 246 H C 1.750 177.105 175.328 0.045 0.000 0.934 246 H CA 0.704 56.793 56.048 0.068 0.000 1.116 246 H CB -0.218 29.620 29.762 0.127 0.000 1.439 246 H HN 0.326 nan 8.280 nan 0.000 0.445 247 E N 2.320 122.170 120.200 -0.584 0.000 2.072 247 E HA -0.127 4.276 4.350 0.089 0.000 0.191 247 E C 1.939 178.451 176.600 -0.148 0.000 0.985 247 E CA 2.269 58.434 56.400 -0.392 0.000 0.801 247 E CB -0.013 29.450 29.700 -0.395 0.000 0.750 247 E HN 0.585 nan 8.360 nan 0.000 0.452 248 T N -1.144 113.358 114.554 -0.087 0.000 2.770 248 T HA -0.112 4.291 4.350 0.089 0.000 0.263 248 T C 2.187 176.889 174.700 0.004 0.000 1.039 248 T CA 2.232 64.319 62.100 -0.022 0.000 1.142 248 T CB -1.035 67.844 68.868 0.018 0.000 0.868 248 T HN 0.233 nan 8.240 nan 0.000 0.435 249 T N 1.040 115.607 114.554 0.021 0.000 2.788 249 T HA 0.122 4.525 4.350 0.089 0.000 0.268 249 T C 2.362 177.058 174.700 -0.007 0.000 1.044 249 T CA 1.106 63.224 62.100 0.029 0.000 1.139 249 T CB -0.968 67.926 68.868 0.044 0.000 0.867 249 T HN 0.541 nan 8.240 nan 0.000 0.454 250 A N 1.737 124.541 122.820 -0.026 0.000 1.940 250 A HA -0.050 4.324 4.320 0.089 0.000 0.219 250 A C 2.683 180.251 177.584 -0.025 0.000 1.176 250 A CA 1.938 53.950 52.037 -0.042 0.000 0.631 250 A CB -1.027 17.951 19.000 -0.038 0.000 0.814 250 A HN 0.529 nan 8.150 nan 0.000 0.446 251 S N -0.726 114.960 115.700 -0.023 0.000 2.371 251 S HA -0.098 4.425 4.470 0.089 0.000 0.224 251 S C 1.998 176.595 174.600 -0.005 0.000 1.029 251 S CA 1.414 59.605 58.200 -0.014 0.000 0.978 251 S CB -0.282 62.906 63.200 -0.021 0.000 0.833 251 S HN 0.446 nan 8.310 nan 0.000 0.466 252 M N 1.613 121.210 119.600 -0.004 0.000 2.108 252 M HA -0.079 4.454 4.480 0.089 0.000 0.261 252 M C 2.207 178.510 176.300 0.005 0.000 1.066 252 M CA 1.482 56.780 55.300 -0.002 0.000 1.107 252 M CB -2.030 30.574 32.600 0.007 0.000 1.356 252 M HN 0.266 nan 8.290 nan 0.000 0.406 253 T N 0.409 114.967 114.554 0.007 0.000 2.622 253 T HA -0.113 4.290 4.350 0.089 0.000 0.266 253 T C 2.036 176.761 174.700 0.041 0.000 1.047 253 T CA 2.046 64.162 62.100 0.026 0.000 1.159 253 T CB -0.250 68.624 68.868 0.010 0.000 0.863 253 T HN 0.375 nan 8.240 nan 0.000 0.422 254 S N 1.308 117.031 115.700 0.038 0.000 2.368 254 S HA 0.035 4.558 4.470 0.089 0.000 0.225 254 S C 2.071 176.693 174.600 0.037 0.000 1.030 254 S CA 0.908 59.136 58.200 0.046 0.000 0.999 254 S CB -0.463 62.761 63.200 0.040 0.000 0.844 254 S HN 0.334 nan 8.310 nan 0.000 0.459 255 L N 0.960 122.200 121.223 0.029 0.000 2.156 255 L HA -0.037 4.357 4.340 0.089 0.000 0.208 255 L C 2.501 179.392 176.870 0.034 0.000 1.095 255 L CA 0.760 55.626 54.840 0.042 0.000 0.770 255 L CB -0.598 41.483 42.059 0.036 0.000 0.914 255 L HN 0.264 nan 8.230 nan 0.000 0.439 256 S N -0.280 115.421 115.700 0.002 0.000 2.368 256 S HA -0.147 4.376 4.470 0.089 0.000 0.225 256 S C 2.067 176.614 174.600 -0.088 0.000 1.030 256 S CA 1.136 59.310 58.200 -0.042 0.000 0.999 256 S CB -0.191 62.983 63.200 -0.042 0.000 0.844 256 S HN 0.147 nan 8.310 nan 0.000 0.459 257 V N 2.188 122.069 119.914 -0.056 0.000 2.287 257 V HA -0.194 3.980 4.120 0.089 0.000 0.248 257 V C 2.074 178.128 176.094 -0.068 0.000 1.053 257 V CA 1.680 63.927 62.300 -0.088 0.000 1.027 257 V CB -0.688 31.132 31.823 -0.006 0.000 0.646 257 V HN 0.441 nan 8.190 nan 0.000 0.447 258 I N -0.058 120.519 120.570 0.011 0.000 2.163 258 I HA -0.265 3.958 4.170 0.089 0.000 0.243 258 I C 2.532 178.700 176.117 0.085 0.000 1.085 258 I CA 2.025 63.365 61.300 0.068 0.000 1.347 258 I CB -0.718 37.350 38.000 0.114 0.000 1.044 258 I HN 0.331 nan 8.210 nan 0.000 0.408 259 T N 1.191 115.780 114.554 0.058 0.000 2.737 259 T HA -0.109 4.295 4.350 0.089 0.000 0.265 259 T C 1.956 176.617 174.700 -0.065 0.000 1.038 259 T CA 1.243 63.324 62.100 -0.032 0.000 1.144 259 T CB -0.353 68.467 68.868 -0.079 0.000 0.866 259 T HN 0.222 nan 8.240 nan 0.000 0.434 260 L N 0.452 121.563 121.223 -0.187 0.000 2.046 260 L HA -0.027 4.366 4.340 0.089 0.000 0.208 260 L C 2.448 179.206 176.870 -0.186 0.000 1.077 260 L CA 1.069 55.723 54.840 -0.309 0.000 0.747 260 L CB -0.599 40.999 42.059 -0.768 0.000 0.896 260 L HN 0.242 nan 8.230 nan 0.000 0.432 261 L N -0.597 120.538 121.223 -0.147 0.000 2.191 261 L HA -0.212 4.181 4.340 0.089 0.000 0.212 261 L C 1.629 178.520 176.870 0.035 0.000 1.103 261 L CA 0.832 55.678 54.840 0.009 0.000 0.769 261 L CB -0.464 41.615 42.059 0.035 0.000 0.908 261 L HN 0.234 nan 8.230 nan 0.000 0.438 262 D N -1.467 118.943 120.400 0.018 0.000 2.355 262 D HA -0.038 4.655 4.640 0.089 0.000 0.218 262 D C 0.125 176.229 176.300 -0.327 0.000 1.004 262 D CA 0.774 54.728 54.000 -0.076 0.000 0.880 262 D CB 0.054 40.857 40.800 0.005 0.000 0.911 262 D HN 0.353 nan 8.370 nan 0.000 0.528 263 H N -1.221 117.804 119.070 -0.075 0.000 2.379 263 H HA 0.188 4.797 4.556 0.089 0.000 0.229 263 H C -1.644 173.694 175.328 0.016 0.000 1.423 263 H CA -1.332 54.678 56.048 -0.064 0.000 1.375 263 H CB 1.160 30.831 29.762 -0.151 0.000 1.592 263 H HN -0.029 nan 8.280 nan 0.000 0.507 264 P HA -0.174 nan 4.420 nan 0.000 0.218 264 P C 1.005 178.382 177.300 0.128 0.000 1.149 264 P CA 1.176 64.362 63.100 0.145 0.000 0.817 264 P CB 0.735 32.490 31.700 0.093 0.000 0.785 265 E N 0.081 120.339 120.200 0.096 0.000 2.077 265 E HA -0.181 4.222 4.350 0.089 0.000 0.193 265 E C 2.367 179.026 176.600 0.099 0.000 0.989 265 E CA 1.011 57.459 56.400 0.080 0.000 0.800 265 E CB -0.267 29.471 29.700 0.064 0.000 0.746 265 E HN 0.427 nan 8.360 nan 0.000 0.452 266 Q N -0.406 119.463 119.800 0.116 0.000 2.123 266 Q HA -0.166 4.228 4.340 0.089 0.000 0.199 266 Q C 1.998 178.084 176.000 0.144 0.000 0.966 266 Q CA 0.930 56.793 55.803 0.100 0.000 0.845 266 Q CB -0.168 28.589 28.738 0.032 0.000 0.907 266 Q HN 0.309 nan 8.270 nan 0.000 0.439 267 Y N 1.249 121.552 120.300 0.006 0.000 2.181 267 Y HA -0.191 4.413 4.550 0.089 0.000 0.288 267 Y C 2.232 178.137 175.900 0.008 0.000 1.146 267 Y CA 0.951 59.051 58.100 0.001 0.000 1.164 267 Y CB -0.627 37.841 38.460 0.013 0.000 0.982 267 Y HN 0.079 nan 8.280 nan 0.000 0.515 268 A N 0.006 122.842 122.820 0.026 0.000 1.902 268 A HA -0.078 4.295 4.320 0.089 0.000 0.217 268 A C 2.505 180.074 177.584 -0.026 0.000 1.181 268 A CA 1.947 53.950 52.037 -0.057 0.000 0.623 268 A CB -1.353 17.640 19.000 -0.012 0.000 0.818 268 A HN 0.487 nan 8.150 nan 0.000 0.443 269 A N -0.636 122.204 122.820 0.035 0.000 1.933 269 A HA -0.029 4.344 4.320 0.089 0.000 0.218 269 A C 2.114 179.719 177.584 0.036 0.000 1.175 269 A CA 1.708 53.781 52.037 0.061 0.000 0.628 269 A CB -0.571 18.513 19.000 0.140 0.000 0.814 269 A HN 0.599 nan 8.150 nan 0.000 0.444 270 L N -0.156 121.082 121.223 0.025 0.000 2.017 270 L HA -0.108 4.285 4.340 0.089 0.000 0.208 270 L C 2.464 179.324 176.870 -0.015 0.000 1.073 270 L CA 2.386 57.235 54.840 0.015 0.000 0.745 270 L CB -0.609 41.503 42.059 0.088 0.000 0.894 270 L HN 0.476 nan 8.230 nan 0.000 0.432 271 R N -0.745 119.706 120.500 -0.082 0.000 2.096 271 R HA -0.126 4.267 4.340 0.089 0.000 0.235 271 R C 2.052 178.318 176.300 -0.057 0.000 1.127 271 R CA 1.301 57.334 56.100 -0.112 0.000 0.968 271 R CB -0.322 29.847 30.300 -0.220 0.000 0.861 271 R HN 0.480 nan 8.270 nan 0.000 0.440 272 A N -0.256 122.541 122.820 -0.038 0.000 2.119 272 A HA -0.075 4.298 4.320 0.089 0.000 0.217 272 A C 0.280 177.864 177.584 0.000 0.000 1.153 272 A CA 1.084 53.111 52.037 -0.016 0.000 0.692 272 A CB 0.138 19.134 19.000 -0.006 0.000 0.799 272 A HN 0.377 nan 8.150 nan 0.000 0.458 273 D N -1.362 119.042 120.400 0.007 0.000 2.328 273 D HA 0.257 4.950 4.640 0.089 0.000 0.243 273 D C 0.615 176.923 176.300 0.013 0.000 1.324 273 D CA -0.500 53.511 54.000 0.017 0.000 0.966 273 D CB 0.442 41.264 40.800 0.037 0.000 1.324 273 D HN -0.082 nan 8.370 nan 0.000 0.549 274 R N 0.926 121.432 120.500 0.011 0.000 2.285 274 R HA -0.046 4.347 4.340 0.089 0.000 0.213 274 R C 1.773 178.083 176.300 0.016 0.000 1.068 274 R CA 0.742 56.851 56.100 0.014 0.000 1.004 274 R CB -0.803 29.506 30.300 0.016 0.000 0.873 274 R HN 0.470 nan 8.270 nan 0.000 0.467 275 S N 0.242 115.952 115.700 0.018 0.000 2.507 275 S HA -0.016 4.508 4.470 0.089 0.000 0.235 275 S C 1.858 176.467 174.600 0.014 0.000 0.988 275 S CA 0.522 58.733 58.200 0.019 0.000 0.944 275 S CB -0.314 62.900 63.200 0.023 0.000 0.762 275 S HN 0.274 nan 8.310 nan 0.000 0.526 276 L N 0.878 122.103 121.223 0.003 0.000 2.478 276 L HA 0.088 4.481 4.340 0.089 0.000 0.223 276 L C 2.301 179.151 176.870 -0.033 0.000 1.140 276 L CA 0.120 54.942 54.840 -0.030 0.000 0.842 276 L CB -0.489 41.528 42.059 -0.070 0.000 0.953 276 L HN 0.225 nan 8.230 nan 0.000 0.452 277 V N 0.683 120.595 119.914 -0.004 0.000 2.295 277 V HA -0.165 4.008 4.120 0.089 0.000 0.246 277 V C -0.036 176.063 176.094 0.009 0.000 1.049 277 V CA 1.955 64.259 62.300 0.007 0.000 1.024 277 V CB -1.491 30.349 31.823 0.028 0.000 0.648 277 V HN 0.357 nan 8.190 nan 0.000 0.447 278 P HA -0.132 nan 4.420 nan 0.000 0.215 278 P C 1.730 179.044 177.300 0.023 0.000 1.153 278 P CA 1.940 65.058 63.100 0.031 0.000 0.853 278 P CB -0.348 31.373 31.700 0.035 0.000 0.788 279 G N -0.088 108.713 108.800 0.003 0.000 2.422 279 G HA2 -0.225 3.788 3.960 0.089 0.000 0.218 279 G HA3 -0.225 3.788 3.960 0.089 0.000 0.218 279 G C 1.656 176.528 174.900 -0.047 0.000 1.146 279 G CA 0.891 45.984 45.100 -0.012 0.000 0.769 279 G HN 0.328 nan 8.290 nan 0.000 0.547 280 A N 0.149 122.927 122.820 -0.070 0.000 1.933 280 A HA 0.090 4.463 4.320 0.089 0.000 0.218 280 A C 2.588 180.128 177.584 -0.073 0.000 1.175 280 A CA 1.709 53.689 52.037 -0.095 0.000 0.628 280 A CB -0.573 18.377 19.000 -0.083 0.000 0.814 280 A HN 0.242 nan 8.150 nan 0.000 0.444 281 V N 0.305 120.203 119.914 -0.027 0.000 2.343 281 V HA -0.218 3.955 4.120 0.089 0.000 0.247 281 V C 2.602 178.683 176.094 -0.021 0.000 1.051 281 V CA 2.162 64.458 62.300 -0.006 0.000 1.036 281 V CB -0.671 31.178 31.823 0.044 0.000 0.654 281 V HN 0.512 nan 8.190 nan 0.000 0.451 282 E N -0.026 120.179 120.200 0.009 0.000 2.051 282 E HA -0.249 4.154 4.350 0.089 0.000 0.192 282 E C 2.195 178.703 176.600 -0.154 0.000 0.991 282 E CA 1.585 57.992 56.400 0.012 0.000 0.799 282 E CB -0.280 29.496 29.700 0.125 0.000 0.748 282 E HN 0.695 nan 8.360 nan 0.000 0.449 283 E N 0.862 120.986 120.200 -0.126 0.000 2.106 283 E HA -0.094 4.309 4.350 0.089 0.000 0.192 283 E C 2.175 178.661 176.600 -0.190 0.000 0.984 283 E CA 0.717 57.010 56.400 -0.178 0.000 0.806 283 E CB -0.301 29.291 29.700 -0.180 0.000 0.750 283 E HN 0.186 nan 8.360 nan 0.000 0.458 284 L N -0.100 121.025 121.223 -0.164 0.000 2.093 284 L HA -0.138 4.256 4.340 0.089 0.000 0.208 284 L C 2.482 179.264 176.870 -0.146 0.000 1.085 284 L CA 0.800 55.567 54.840 -0.122 0.000 0.755 284 L CB -0.366 41.631 42.059 -0.103 0.000 0.904 284 L HN 0.211 nan 8.230 nan 0.000 0.435 285 L N -0.587 120.484 121.223 -0.252 0.000 2.017 285 L HA -0.226 4.167 4.340 0.089 0.000 0.208 285 L C 2.875 179.460 176.870 -0.475 0.000 1.073 285 L CA 1.272 55.873 54.840 -0.399 0.000 0.745 285 L CB -0.505 41.228 42.059 -0.543 0.000 0.894 285 L HN 0.246 nan 8.230 nan 0.000 0.432 286 R N -0.834 119.315 120.500 -0.586 0.000 2.083 286 R HA -0.258 4.135 4.340 0.089 0.000 0.237 286 R C 2.443 178.644 176.300 -0.164 0.000 1.137 286 R CA 2.032 57.887 56.100 -0.408 0.000 0.951 286 R CB -0.454 29.597 30.300 -0.414 0.000 0.851 286 R HN 0.261 nan 8.270 nan 0.000 0.434 287 Y N 0.592 120.743 120.300 -0.248 0.000 2.286 287 Y HA -0.009 4.594 4.550 0.089 0.000 0.293 287 Y C 1.857 177.707 175.900 -0.083 0.000 1.124 287 Y CA 1.285 59.294 58.100 -0.152 0.000 1.178 287 Y CB 0.133 38.493 38.460 -0.167 0.000 1.010 287 Y HN 0.037 nan 8.280 nan 0.000 0.536 288 L N -0.521 120.684 121.223 -0.030 0.000 2.354 288 L HA 0.229 4.622 4.340 0.089 0.000 0.212 288 L C 1.301 178.126 176.870 -0.074 0.000 1.091 288 L CA 0.375 55.185 54.840 -0.049 0.000 0.828 288 L CB -0.701 41.351 42.059 -0.012 0.000 0.973 288 L HN 0.100 nan 8.230 nan 0.000 0.461 289 A N 1.598 124.357 122.820 -0.101 0.000 1.804 289 A HA -0.213 4.160 4.320 0.089 0.000 0.242 289 A C 1.247 178.806 177.584 -0.043 0.000 1.229 289 A CA 1.036 53.024 52.037 -0.082 0.000 0.751 289 A CB -1.610 17.363 19.000 -0.046 0.000 1.169 289 A HN 0.642 nan 8.150 nan 0.000 0.290 290 I N -1.829 118.709 120.570 -0.053 0.000 3.428 290 I HA 0.379 4.602 4.170 0.089 0.000 0.286 290 I C 1.246 177.363 176.117 -0.001 0.000 1.287 290 I CA 1.064 62.348 61.300 -0.026 0.000 1.396 290 I CB 0.228 38.210 38.000 -0.031 0.000 1.062 290 I HN 0.655 nan 8.210 nan 0.000 0.471 291 A N 0.774 123.598 122.820 0.008 0.000 2.911 291 A HA 0.260 4.633 4.320 0.089 0.000 0.304 291 A C 0.747 178.370 177.584 0.065 0.000 1.144 291 A CA -0.396 51.663 52.037 0.037 0.000 0.988 291 A CB -0.431 18.595 19.000 0.044 0.000 1.141 291 A HN 0.217 nan 8.150 nan 0.000 0.552 292 D N 0.099 120.546 120.400 0.077 0.000 2.218 292 D HA -0.156 4.537 4.640 0.089 0.000 0.204 292 D C 1.500 177.877 176.300 0.128 0.000 0.976 292 D CA 0.925 54.994 54.000 0.115 0.000 0.853 292 D CB 0.050 40.948 40.800 0.163 0.000 0.939 292 D HN 0.568 nan 8.370 nan 0.000 0.481 293 I N 0.505 121.139 120.570 0.108 0.000 2.700 293 I HA -0.144 4.079 4.170 0.089 0.000 0.261 293 I C 1.508 177.710 176.117 0.142 0.000 1.219 293 I CA 0.644 62.017 61.300 0.121 0.000 1.463 293 I CB 0.034 38.089 38.000 0.092 0.000 1.092 293 I HN -0.123 nan 8.210 nan 0.000 0.452 294 A N -0.424 122.469 122.820 0.121 0.000 2.507 294 A HA 0.555 4.928 4.320 0.089 0.000 0.270 294 A C 1.797 179.450 177.584 0.116 0.000 1.318 294 A CA 0.302 52.414 52.037 0.124 0.000 0.924 294 A CB -0.946 18.113 19.000 0.097 0.000 1.061 294 A HN 0.403 nan 8.150 nan 0.000 0.516 295 G N -0.424 108.440 108.800 0.107 0.000 3.126 295 G HA2 0.383 4.396 3.960 0.089 0.000 0.224 295 G HA3 0.383 4.396 3.960 0.089 0.000 0.224 295 G C 0.744 175.654 174.900 0.016 0.000 1.142 295 G CA 0.479 45.618 45.100 0.065 0.000 0.759 295 G HN 0.655 nan 8.290 nan 0.000 0.550 296 G N 0.326 109.146 108.800 0.033 0.000 2.442 296 G HA2 0.514 4.527 3.960 0.089 0.000 0.249 296 G HA3 0.514 4.527 3.960 0.089 0.000 0.249 296 G C -0.338 174.422 174.900 -0.233 0.000 1.263 296 G CA -0.323 44.645 45.100 -0.219 0.000 0.846 296 G HN 0.139 nan 8.290 nan 0.000 0.555 297 R N -0.040 120.179 120.500 -0.468 0.000 2.739 297 R HA 0.585 4.978 4.340 0.089 0.000 0.271 297 R C -1.630 174.492 176.300 -0.297 0.000 1.010 297 R CA -0.872 55.102 56.100 -0.211 0.000 0.897 297 R CB 1.822 32.076 30.300 -0.076 0.000 1.236 297 R HN 0.490 nan 8.270 nan 0.000 0.466 298 V N 0.788 120.667 119.914 -0.059 0.000 2.588 298 V HA 0.713 4.886 4.120 0.089 0.000 0.304 298 V C -0.560 175.549 176.094 0.025 0.000 1.042 298 V CA -0.666 61.622 62.300 -0.019 0.000 0.877 298 V CB 1.744 33.620 31.823 0.087 0.000 0.996 298 V HN 0.903 nan 8.190 nan 0.000 0.425 299 A N 3.916 126.745 122.820 0.015 0.000 2.450 299 A HA 0.514 4.887 4.320 0.089 0.000 0.255 299 A C 1.090 178.695 177.584 0.034 0.000 1.096 299 A CA 0.451 52.500 52.037 0.021 0.000 0.778 299 A CB 0.522 19.531 19.000 0.014 0.000 1.031 299 A HN 1.379 nan 8.150 nan 0.000 0.494 300 T N -1.005 113.569 114.554 0.033 0.000 3.069 300 T HA 0.566 4.970 4.350 0.089 0.000 0.252 300 T C 0.381 175.096 174.700 0.026 0.000 1.053 300 T CA 0.593 62.714 62.100 0.036 0.000 0.964 300 T CB -0.097 68.797 68.868 0.043 0.000 1.005 300 T HN 1.669 nan 8.240 nan 0.000 0.532 301 A N 0.677 123.507 122.820 0.017 0.000 2.606 301 A HA 0.606 4.979 4.320 0.089 0.000 0.293 301 A C -1.682 175.903 177.584 0.001 0.000 1.082 301 A CA -0.936 51.107 52.037 0.010 0.000 0.685 301 A CB 0.880 19.884 19.000 0.007 0.000 1.284 301 A HN 0.153 nan 8.150 nan 0.000 0.408 302 D N 0.547 120.945 120.400 -0.002 0.000 2.455 302 D HA 0.429 5.122 4.640 0.089 0.000 0.241 302 D C -0.386 175.895 176.300 -0.032 0.000 1.138 302 D CA 1.139 55.131 54.000 -0.013 0.000 0.877 302 D CB 0.406 41.200 40.800 -0.011 0.000 1.187 302 D HN 0.392 nan 8.370 nan 0.000 0.451 303 I N 1.291 121.826 120.570 -0.058 0.000 2.478 303 I HA 0.162 4.385 4.170 0.089 0.000 0.287 303 I C 0.141 176.187 176.117 -0.118 0.000 1.042 303 I CA -0.745 60.506 61.300 -0.082 0.000 1.067 303 I CB 2.016 39.959 38.000 -0.094 0.000 1.233 303 I HN 0.161 nan 8.210 nan 0.000 0.431 304 E N 5.962 126.102 120.200 -0.100 0.000 2.200 304 E HA 0.497 4.900 4.350 0.089 0.000 0.283 304 E C -1.428 175.093 176.600 -0.132 0.000 1.015 304 E CA -0.515 55.815 56.400 -0.116 0.000 0.819 304 E CB 1.541 31.193 29.700 -0.080 0.000 1.081 304 E HN 0.398 nan 8.360 nan 0.000 0.397 305 V N 5.282 125.091 119.914 -0.175 0.000 2.357 305 V HA 0.113 4.287 4.120 0.089 0.000 0.281 305 V C -0.331 175.670 176.094 -0.155 0.000 1.015 305 V CA -0.616 61.579 62.300 -0.175 0.000 0.827 305 V CB 0.947 32.625 31.823 -0.240 0.000 1.018 305 V HN 0.961 nan 8.190 nan 0.000 0.432 306 E N 3.530 123.663 120.200 -0.111 0.000 2.269 306 E HA -0.307 4.096 4.350 0.089 0.000 0.223 306 E C 1.361 177.909 176.600 -0.087 0.000 1.244 306 E CA 0.698 57.045 56.400 -0.088 0.000 0.713 306 E CB -1.149 28.502 29.700 -0.082 0.000 1.178 306 E HN 1.447 nan 8.360 nan 0.000 0.370 307 G N -0.355 108.392 108.800 -0.087 0.000 2.225 307 G HA2 -0.368 3.645 3.960 0.089 0.000 0.254 307 G HA3 -0.368 3.645 3.960 0.089 0.000 0.254 307 G C 0.171 175.015 174.900 -0.093 0.000 0.988 307 G CA 0.478 45.533 45.100 -0.075 0.000 0.625 307 G HN 0.357 nan 8.290 nan 0.000 0.527 308 Q N -0.193 119.517 119.800 -0.151 0.000 2.243 308 Q HA 0.652 5.045 4.340 0.089 0.000 0.252 308 Q C -0.528 175.309 176.000 -0.271 0.000 0.909 308 Q CA -0.669 54.997 55.803 -0.228 0.000 0.922 308 Q CB 2.113 30.629 28.738 -0.370 0.000 1.215 308 Q HN 0.341 nan 8.270 nan 0.000 0.427 309 L N 3.947 125.039 121.223 -0.219 0.000 2.280 309 L HA 0.441 4.834 4.340 0.089 0.000 0.287 309 L C -1.194 175.560 176.870 -0.194 0.000 1.023 309 L CA -0.145 54.598 54.840 -0.163 0.000 0.819 309 L CB 0.902 42.934 42.059 -0.045 0.000 1.212 309 L HN 0.555 nan 8.230 nan 0.000 0.420 310 I N 5.638 126.043 120.570 -0.275 0.000 2.352 310 I HA 0.327 4.550 4.170 0.089 0.000 0.290 310 I C 0.356 176.470 176.117 -0.006 0.000 1.036 310 I CA -0.352 60.845 61.300 -0.172 0.000 1.336 310 I CB 0.472 38.305 38.000 -0.278 0.000 1.407 310 I HN 0.562 nan 8.210 nan 0.000 0.497 311 R N 4.684 125.246 120.500 0.103 0.000 2.457 311 R HA 0.598 4.991 4.340 0.089 0.000 0.284 311 R C 0.037 176.370 176.300 0.054 0.000 1.024 311 R CA -0.776 55.365 56.100 0.068 0.000 1.025 311 R CB 1.038 31.388 30.300 0.083 0.000 1.063 311 R HN 0.723 nan 8.270 nan 0.000 0.493 312 A N 1.192 124.031 122.820 0.033 0.000 2.565 312 A HA 0.318 4.691 4.320 0.089 0.000 0.237 312 A C 1.330 178.935 177.584 0.036 0.000 1.053 312 A CA 0.969 53.024 52.037 0.030 0.000 0.755 312 A CB -0.534 18.480 19.000 0.024 0.000 0.980 312 A HN 0.969 nan 8.150 nan 0.000 0.506 313 G N 1.359 110.181 108.800 0.037 0.000 2.176 313 G HA2 -0.202 3.811 3.960 0.089 0.000 0.253 313 G HA3 -0.202 3.811 3.960 0.089 0.000 0.253 313 G C 0.050 174.968 174.900 0.029 0.000 0.979 313 G CA 0.494 45.615 45.100 0.035 0.000 0.641 313 G HN 0.889 nan 8.290 nan 0.000 0.530 314 E N 0.585 120.812 120.200 0.046 0.000 2.301 314 E HA 0.491 4.894 4.350 0.089 0.000 0.275 314 E C 0.893 177.507 176.600 0.022 0.000 1.030 314 E CA -0.073 56.358 56.400 0.052 0.000 0.852 314 E CB 1.112 30.908 29.700 0.160 0.000 1.060 314 E HN 0.344 nan 8.360 nan 0.000 0.401 315 G N 0.961 109.739 108.800 -0.037 0.000 2.415 315 G HA2 0.404 4.417 3.960 0.089 0.000 0.269 315 G HA3 0.404 4.417 3.960 0.089 0.000 0.269 315 G C -0.665 174.196 174.900 -0.066 0.000 1.209 315 G CA -0.305 44.719 45.100 -0.126 0.000 0.835 315 G HN 0.273 nan 8.290 nan 0.000 0.534 316 V N 3.107 122.941 119.914 -0.133 0.000 2.623 316 V HA 0.360 4.533 4.120 0.089 0.000 0.304 316 V C -0.330 175.661 176.094 -0.172 0.000 1.054 316 V CA -0.531 61.724 62.300 -0.074 0.000 0.882 316 V CB 1.734 33.532 31.823 -0.043 0.000 1.002 316 V HN 0.671 nan 8.190 nan 0.000 0.424 317 I N 4.509 124.970 120.570 -0.182 0.000 2.355 317 I HA 0.386 4.609 4.170 0.089 0.000 0.288 317 I C -0.246 175.783 176.117 -0.146 0.000 0.999 317 I CA -0.881 60.306 61.300 -0.189 0.000 1.163 317 I CB 1.966 39.816 38.000 -0.251 0.000 1.316 317 I HN 0.295 nan 8.210 nan 0.000 0.454 318 V N 7.639 127.505 119.914 -0.080 0.000 2.387 318 V HA 0.073 4.246 4.120 0.089 0.000 0.260 318 V C 0.388 176.466 176.094 -0.026 0.000 1.054 318 V CA -0.425 61.843 62.300 -0.053 0.000 0.967 318 V CB 0.895 32.705 31.823 -0.021 0.000 1.036 318 V HN 0.428 nan 8.190 nan 0.000 0.481 319 V N 6.353 126.238 119.914 -0.050 0.000 2.267 319 V HA 0.087 4.260 4.120 0.089 0.000 0.254 319 V C 1.409 177.507 176.094 0.007 0.000 1.144 319 V CA -0.190 62.102 62.300 -0.013 0.000 0.992 319 V CB -0.130 31.642 31.823 -0.085 0.000 1.199 319 V HN 1.065 nan 8.190 nan 0.000 0.493 320 N N 3.176 121.900 118.700 0.040 0.000 2.289 320 N HA -0.219 4.574 4.740 0.089 0.000 0.184 320 N C 1.824 177.373 175.510 0.066 0.000 1.016 320 N CA 1.477 54.561 53.050 0.056 0.000 0.872 320 N CB -0.251 38.280 38.487 0.074 0.000 0.973 320 N HN 0.609 nan 8.380 nan 0.000 0.433 321 S N 0.562 116.296 115.700 0.058 0.000 2.382 321 S HA -0.059 4.464 4.470 0.089 0.000 0.228 321 S C 1.883 176.520 174.600 0.060 0.000 1.027 321 S CA 0.818 59.051 58.200 0.056 0.000 0.991 321 S CB -0.733 62.520 63.200 0.089 0.000 0.823 321 S HN 0.409 nan 8.310 nan 0.000 0.469 322 I N 2.205 122.799 120.570 0.039 0.000 2.333 322 I HA -0.013 4.210 4.170 0.089 0.000 0.246 322 I C 3.092 179.253 176.117 0.073 0.000 1.106 322 I CA 0.892 62.212 61.300 0.032 0.000 1.411 322 I CB -0.728 37.237 38.000 -0.058 0.000 1.082 322 I HN 0.398 nan 8.210 nan 0.000 0.420 323 A N 1.174 124.042 122.820 0.079 0.000 1.978 323 A HA -0.219 4.154 4.320 0.089 0.000 0.220 323 A C 1.905 179.667 177.584 0.296 0.000 1.170 323 A CA 1.901 54.027 52.037 0.149 0.000 0.636 323 A CB -0.669 18.380 19.000 0.081 0.000 0.810 323 A HN 0.411 nan 8.150 nan 0.000 0.448 324 N N -0.446 118.398 118.700 0.241 0.000 2.550 324 N HA -0.032 4.761 4.740 0.089 0.000 0.186 324 N C 0.679 176.303 175.510 0.191 0.000 1.110 324 N CA 0.489 53.688 53.050 0.248 0.000 0.912 324 N CB -0.017 38.523 38.487 0.088 0.000 0.968 324 N HN 0.278 nan 8.380 nan 0.000 0.448 325 R N 0.517 121.125 120.500 0.180 0.000 2.633 325 R HA 0.137 4.530 4.340 0.089 0.000 0.348 325 R C -0.444 175.966 176.300 0.184 0.000 1.100 325 R CA -0.280 55.918 56.100 0.163 0.000 1.068 325 R CB -0.414 29.941 30.300 0.092 0.000 1.351 325 R HN 0.070 nan 8.270 nan 0.000 0.575 326 D N 0.351 120.891 120.400 0.234 0.000 2.352 326 D HA 0.082 4.775 4.640 0.089 0.000 0.245 326 D C 1.152 177.512 176.300 0.100 0.000 1.224 326 D CA 0.039 54.124 54.000 0.141 0.000 0.879 326 D CB 1.176 42.055 40.800 0.132 0.000 1.057 326 D HN 0.299 nan 8.370 nan 0.000 0.491 327 G N 2.549 111.395 108.800 0.076 0.000 2.559 327 G HA2 -0.233 3.780 3.960 0.089 0.000 0.216 327 G HA3 -0.233 3.780 3.960 0.089 0.000 0.216 327 G C 1.433 176.327 174.900 -0.009 0.000 1.126 327 G CA 1.194 46.327 45.100 0.055 0.000 0.778 327 G HN 0.596 nan 8.290 nan 0.000 0.543 328 T N -2.078 112.451 114.554 -0.041 0.000 3.072 328 T HA 0.073 4.476 4.350 0.089 0.000 0.266 328 T C 1.937 176.533 174.700 -0.174 0.000 1.127 328 T CA 1.222 63.273 62.100 -0.080 0.000 1.107 328 T CB 0.203 69.033 68.868 -0.064 0.000 0.910 328 T HN 0.040 nan 8.240 nan 0.000 0.513 329 V N -1.386 118.351 119.914 -0.296 0.000 3.013 329 V HA 0.316 4.489 4.120 0.089 0.000 0.238 329 V C -0.105 175.560 176.094 -0.716 0.000 1.161 329 V CA -0.100 61.824 62.300 -0.627 0.000 1.170 329 V CB -0.130 31.055 31.823 -1.064 0.000 0.917 329 V HN 0.426 nan 8.190 nan 0.000 0.478 330 Y N 1.166 121.438 120.300 -0.046 0.000 2.464 330 Y HA 0.513 5.115 4.550 0.087 0.000 0.326 330 Y C 0.259 176.168 175.900 0.014 0.000 0.969 330 Y CA -1.300 56.798 58.100 -0.003 0.000 1.270 330 Y CB 0.501 38.974 38.460 0.021 0.000 1.103 330 Y HN 0.146 nan 8.280 nan 0.000 0.491 331 E N 4.124 124.392 120.200 0.113 0.000 2.415 331 E HA -0.049 4.354 4.350 0.089 0.000 0.263 331 E C -0.475 176.184 176.600 0.098 0.000 0.995 331 E CA 0.202 56.648 56.400 0.078 0.000 0.915 331 E CB 0.300 30.029 29.700 0.049 0.000 0.951 331 E HN 0.661 nan 8.360 nan 0.000 0.449 332 D N 4.544 124.996 120.400 0.086 0.000 2.812 332 D HA -0.136 4.557 4.640 0.089 0.000 0.237 332 D C -1.762 174.612 176.300 0.125 0.000 1.162 332 D CA 0.412 54.467 54.000 0.091 0.000 0.740 332 D CB -0.455 40.389 40.800 0.074 0.000 1.000 332 D HN 0.523 nan 8.370 nan 0.000 0.416 333 P HA -0.147 nan 4.420 nan 0.000 0.220 333 P C 0.760 178.187 177.300 0.211 0.000 1.148 333 P CA 0.996 64.209 63.100 0.189 0.000 0.803 333 P CB 0.362 32.175 31.700 0.188 0.000 0.782 334 D N -0.333 120.188 120.400 0.203 0.000 2.340 334 D HA 0.161 4.855 4.640 0.089 0.000 0.220 334 D C 0.750 177.274 176.300 0.372 0.000 1.039 334 D CA 0.152 54.319 54.000 0.278 0.000 0.866 334 D CB -0.073 40.832 40.800 0.175 0.000 0.913 334 D HN 0.133 nan 8.370 nan 0.000 0.523 335 A N 0.929 123.878 122.820 0.216 0.000 2.276 335 A HA 0.387 4.761 4.320 0.089 0.000 0.300 335 A C -0.127 177.355 177.584 -0.169 0.000 1.235 335 A CA -0.550 51.533 52.037 0.076 0.000 0.867 335 A CB 0.382 19.414 19.000 0.053 0.000 1.137 335 A HN 0.174 nan 8.150 nan 0.000 0.527 336 L N 2.656 123.561 121.223 -0.530 0.000 2.410 336 L HA 0.398 4.791 4.340 0.089 0.000 0.273 336 L C -0.547 176.065 176.870 -0.430 0.000 1.144 336 L CA 0.666 54.953 54.840 -0.922 0.000 0.863 336 L CB 0.519 41.771 42.059 -1.345 0.000 1.140 336 L HN 0.664 nan 8.230 nan 0.000 0.463 337 D N 4.124 124.332 120.400 -0.320 0.000 2.323 337 D HA 0.133 4.826 4.640 0.089 0.000 0.242 337 D C 0.855 177.075 176.300 -0.134 0.000 1.347 337 D CA -0.359 53.559 54.000 -0.137 0.000 0.988 337 D CB 0.605 41.382 40.800 -0.038 0.000 1.314 337 D HN 0.543 nan 8.370 nan 0.000 0.564 338 I N 0.519 120.981 120.570 -0.180 0.000 2.850 338 I HA -0.077 4.146 4.170 0.089 0.000 0.266 338 I C 0.768 176.710 176.117 -0.292 0.000 1.257 338 I CA 0.902 62.047 61.300 -0.258 0.000 1.465 338 I CB -0.107 37.710 38.000 -0.305 0.000 1.091 338 I HN 0.277 nan 8.210 nan 0.000 0.467 339 H N 2.118 121.167 119.070 -0.034 0.000 2.553 339 H HA 0.189 4.798 4.556 0.089 0.000 0.265 339 H C 0.875 176.206 175.328 0.004 0.000 0.964 339 H CA -0.124 55.919 56.048 -0.008 0.000 1.156 339 H CB 0.004 29.763 29.762 -0.005 0.000 1.411 339 H HN 0.519 nan 8.280 nan 0.000 0.558 340 R N 1.058 121.612 120.500 0.089 0.000 2.707 340 R HA 0.173 4.566 4.340 0.089 0.000 0.270 340 R C 0.227 176.581 176.300 0.090 0.000 1.083 340 R CA -0.261 55.891 56.100 0.087 0.000 1.182 340 R CB 0.486 30.829 30.300 0.073 0.000 1.084 340 R HN -0.134 nan 8.270 nan 0.000 0.528 341 S N 0.477 116.250 115.700 0.121 0.000 2.414 341 S HA 0.284 4.807 4.470 0.089 0.000 0.290 341 S C 0.470 175.211 174.600 0.235 0.000 1.160 341 S CA -0.220 58.069 58.200 0.148 0.000 1.069 341 S CB 0.298 63.582 63.200 0.140 0.000 1.012 341 S HN 0.697 nan 8.310 nan 0.000 0.510 342 A N 5.997 128.928 122.820 0.184 0.000 2.415 342 A HA 0.292 4.665 4.320 0.089 0.000 0.248 342 A C 0.870 178.663 177.584 0.348 0.000 1.299 342 A CA -0.403 51.751 52.037 0.195 0.000 0.899 342 A CB -0.039 18.974 19.000 0.022 0.000 0.997 342 A HN 0.831 nan 8.150 nan 0.000 0.506 343 R N 0.282 120.950 120.500 0.281 0.000 2.697 343 R HA 0.081 4.474 4.340 0.089 0.000 0.265 343 R C 0.044 176.504 176.300 0.266 0.000 1.009 343 R CA 0.408 56.588 56.100 0.133 0.000 1.099 343 R CB -0.079 30.236 30.300 0.025 0.000 0.965 343 R HN 0.606 nan 8.270 nan 0.000 0.428 344 H N -1.750 117.430 119.070 0.184 0.000 3.237 344 H HA -0.172 4.437 4.556 0.087 0.000 0.231 344 H C 0.164 175.724 175.328 0.388 0.000 1.148 344 H CA 1.087 57.272 56.048 0.228 0.000 1.155 344 H CB -2.194 27.702 29.762 0.224 0.000 1.210 344 H HN 0.880 nan 8.280 nan 0.000 0.317 345 H N -0.343 118.999 119.070 0.453 0.000 2.836 345 H HA 0.326 4.935 4.556 0.088 0.000 0.368 345 H C 1.147 176.650 175.328 0.292 0.000 1.164 345 H CA 0.061 56.335 56.048 0.377 0.000 1.425 345 H CB 0.470 30.296 29.762 0.107 0.000 1.414 345 H HN 0.201 nan 8.280 nan 0.000 0.614 346 L N 1.928 123.381 121.223 0.383 0.000 2.818 346 L HA 0.311 4.705 4.340 0.089 0.000 0.243 346 L C 1.955 178.964 176.870 0.231 0.000 1.185 346 L CA 0.315 55.298 54.840 0.238 0.000 0.988 346 L CB -0.101 42.032 42.059 0.124 0.000 1.292 346 L HN 0.928 nan 8.230 nan 0.000 0.519 347 A N -0.091 122.932 122.820 0.338 0.000 2.070 347 A HA -0.108 4.265 4.320 0.089 0.000 0.220 347 A C 1.501 179.016 177.584 -0.116 0.000 1.159 347 A CA 1.469 53.502 52.037 -0.007 0.000 0.656 347 A CB -0.369 18.458 19.000 -0.287 0.000 0.800 347 A HN 0.392 nan 8.150 nan 0.000 0.453 348 F N -0.693 119.386 119.950 0.215 0.000 2.664 348 F HA 0.432 5.010 4.527 0.086 0.000 0.303 348 F C 1.581 177.453 175.800 0.121 0.000 1.092 348 F CA 0.094 58.178 58.000 0.139 0.000 1.305 348 F CB -0.298 38.773 39.000 0.118 0.000 1.054 348 F HN 0.430 nan 8.300 nan 0.000 0.565 349 G N 1.024 109.988 108.800 0.273 0.000 2.593 349 G HA2 -0.195 3.818 3.960 0.089 0.000 0.237 349 G HA3 -0.195 3.818 3.960 0.089 0.000 0.237 349 G C -1.058 174.019 174.900 0.296 0.000 1.312 349 G CA -0.252 44.991 45.100 0.239 0.000 0.896 349 G HN 0.326 nan 8.290 nan 0.000 0.574 350 F N -0.072 119.933 119.950 0.092 0.000 2.672 350 F HA 0.631 5.211 4.527 0.088 0.000 0.311 350 F C 0.598 176.435 175.800 0.061 0.000 1.113 350 F CA 1.713 59.752 58.000 0.066 0.000 0.996 350 F CB 1.192 40.212 39.000 0.032 0.000 1.286 350 F HN 2.590 nan 8.300 nan 0.000 0.441 351 G N 2.891 111.116 108.800 -0.958 0.000 2.508 351 G HA2 -0.100 3.913 3.960 0.089 0.000 0.220 351 G HA3 -0.100 3.913 3.960 0.089 0.000 0.220 351 G C 0.535 175.250 174.900 -0.308 0.000 1.287 351 G CA 0.272 44.953 45.100 -0.698 0.000 0.916 351 G HN 1.896 nan 8.290 nan 0.000 0.574 352 V N -2.591 117.185 119.914 -0.231 0.000 2.594 352 V HA -0.055 4.118 4.120 0.089 0.000 0.253 352 V C 1.940 177.877 176.094 -0.261 0.000 1.069 352 V CA 2.715 64.870 62.300 -0.241 0.000 1.082 352 V CB -0.736 30.894 31.823 -0.322 0.000 0.680 352 V HN 0.755 nan 8.190 nan 0.000 0.469 353 H N 0.055 119.068 119.070 -0.095 0.000 2.526 353 H HA 0.290 4.884 4.556 0.062 0.000 0.274 353 H C 1.110 176.474 175.328 0.060 0.000 0.999 353 H CA 0.102 56.156 56.048 0.010 0.000 1.157 353 H CB 0.171 29.921 29.762 -0.020 0.000 1.407 353 H HN 0.637 nan 8.280 nan 0.000 0.568 354 Q N 1.171 121.025 119.800 0.090 0.000 2.283 354 Q HA -0.037 4.356 4.340 0.089 0.000 0.301 354 Q C 0.043 176.090 176.000 0.079 0.000 1.063 354 Q CA -0.106 55.749 55.803 0.088 0.000 0.952 354 Q CB 0.548 29.291 28.738 0.008 0.000 1.166 354 Q HN 0.384 nan 8.270 nan 0.000 0.381 355 C N 5.840 125.205 119.300 0.108 0.000 2.106 355 C HA -0.132 4.381 4.460 0.089 0.000 0.402 355 C C 1.871 176.800 174.990 -0.102 0.000 1.548 355 C CA -0.118 58.924 59.018 0.039 0.000 1.432 355 C CB -1.389 26.413 27.740 0.103 0.000 2.584 355 C HN 1.047 nan 8.230 nan 0.000 0.604 356 L N 6.188 127.352 121.223 -0.099 0.000 2.079 356 L HA 0.084 4.477 4.340 0.089 0.000 0.210 356 L C 2.209 178.820 176.870 -0.433 0.000 1.081 356 L CA 2.590 57.276 54.840 -0.258 0.000 0.752 356 L CB -0.620 41.259 42.059 -0.301 0.000 0.896 356 L HN 0.882 nan 8.230 nan 0.000 0.433 357 G N -1.530 107.052 108.800 -0.363 0.000 3.141 357 G HA2 -0.019 3.994 3.960 0.089 0.000 0.218 357 G HA3 -0.019 3.994 3.960 0.089 0.000 0.218 357 G C 1.170 175.966 174.900 -0.174 0.000 1.170 357 G CA 0.351 45.319 45.100 -0.220 0.000 0.769 357 G HN 0.667 nan 8.290 nan 0.000 0.546 358 Q N 0.493 120.043 119.800 -0.418 0.000 2.135 358 Q HA -0.138 4.255 4.340 0.089 0.000 0.204 358 Q C 1.646 177.362 176.000 -0.472 0.000 0.981 358 Q CA 1.388 56.618 55.803 -0.956 0.000 0.856 358 Q CB -0.328 27.557 28.738 -1.421 0.000 0.902 358 Q HN 0.242 nan 8.270 nan 0.000 0.425 359 N N 0.379 118.955 118.700 -0.207 0.000 2.416 359 N HA -0.027 4.766 4.740 0.089 0.000 0.177 359 N C 1.633 177.155 175.510 0.020 0.000 1.036 359 N CA 0.481 53.494 53.050 -0.062 0.000 0.901 359 N CB 0.014 38.485 38.487 -0.027 0.000 0.976 359 N HN 0.214 nan 8.380 nan 0.000 0.444 360 L N 1.449 122.713 121.223 0.068 0.000 2.056 360 L HA 0.061 4.454 4.340 0.089 0.000 0.207 360 L C 2.106 179.030 176.870 0.088 0.000 1.078 360 L CA 1.358 56.260 54.840 0.104 0.000 0.749 360 L CB -0.967 41.209 42.059 0.196 0.000 0.901 360 L HN 0.078 nan 8.230 nan 0.000 0.433 361 A N -0.250 122.625 122.820 0.091 0.000 1.908 361 A HA -0.247 4.126 4.320 0.089 0.000 0.218 361 A C 2.435 180.110 177.584 0.152 0.000 1.181 361 A CA 1.982 54.107 52.037 0.146 0.000 0.627 361 A CB -0.572 18.590 19.000 0.271 0.000 0.818 361 A HN 0.519 nan 8.150 nan 0.000 0.445 362 R N -1.251 119.334 120.500 0.142 0.000 2.081 362 R HA -0.099 4.294 4.340 0.089 0.000 0.235 362 R C 2.168 178.521 176.300 0.090 0.000 1.131 362 R CA 1.403 57.585 56.100 0.137 0.000 0.960 362 R CB -0.571 29.804 30.300 0.125 0.000 0.856 362 R HN 0.515 nan 8.270 nan 0.000 0.436 363 L N 1.640 122.905 121.223 0.069 0.000 2.017 363 L HA -0.175 4.218 4.340 0.089 0.000 0.208 363 L C 1.765 178.667 176.870 0.052 0.000 1.073 363 L CA 1.875 56.747 54.840 0.054 0.000 0.745 363 L CB -0.348 41.737 42.059 0.044 0.000 0.894 363 L HN 0.117 nan 8.230 nan 0.000 0.432 364 E N -0.717 119.515 120.200 0.053 0.000 2.051 364 E HA -0.253 4.150 4.350 0.089 0.000 0.192 364 E C 2.142 178.763 176.600 0.036 0.000 0.991 364 E CA 1.425 57.846 56.400 0.034 0.000 0.799 364 E CB -0.354 29.361 29.700 0.025 0.000 0.748 364 E HN 0.394 nan 8.360 nan 0.000 0.449 365 L N 1.669 122.925 121.223 0.054 0.000 2.046 365 L HA -0.187 4.206 4.340 0.089 0.000 0.208 365 L C 2.316 179.220 176.870 0.057 0.000 1.077 365 L CA 1.750 56.622 54.840 0.054 0.000 0.747 365 L CB -0.411 41.684 42.059 0.061 0.000 0.896 365 L HN 0.095 nan 8.230 nan 0.000 0.432 366 E N -0.421 119.814 120.200 0.058 0.000 2.058 366 E HA -0.186 4.217 4.350 0.089 0.000 0.194 366 E C 2.073 178.708 176.600 0.059 0.000 0.997 366 E CA 2.058 58.491 56.400 0.056 0.000 0.801 366 E CB -0.217 29.515 29.700 0.053 0.000 0.746 366 E HN 0.369 nan 8.360 nan 0.000 0.450 367 V N 1.430 121.378 119.914 0.055 0.000 2.343 367 V HA -0.249 3.925 4.120 0.089 0.000 0.247 367 V C 2.642 178.770 176.094 0.057 0.000 1.051 367 V CA 1.654 63.988 62.300 0.056 0.000 1.036 367 V CB -0.430 31.422 31.823 0.048 0.000 0.654 367 V HN 0.256 nan 8.190 nan 0.000 0.451 368 I N -0.546 120.066 120.570 0.071 0.000 2.179 368 I HA -0.256 3.968 4.170 0.089 0.000 0.242 368 I C 2.298 178.493 176.117 0.130 0.000 1.088 368 I CA 1.610 62.992 61.300 0.137 0.000 1.357 368 I CB -0.266 37.813 38.000 0.132 0.000 1.051 368 I HN 0.247 nan 8.210 nan 0.000 0.409 369 L N 0.182 121.467 121.223 0.104 0.000 2.056 369 L HA -0.208 4.185 4.340 0.089 0.000 0.207 369 L C 2.308 179.242 176.870 0.107 0.000 1.078 369 L CA 1.159 56.068 54.840 0.115 0.000 0.749 369 L CB -0.784 41.337 42.059 0.104 0.000 0.901 369 L HN 0.327 nan 8.230 nan 0.000 0.433 370 N N 0.306 119.055 118.700 0.082 0.000 2.166 370 N HA -0.153 4.640 4.740 0.089 0.000 0.186 370 N C 1.861 177.410 175.510 0.066 0.000 1.019 370 N CA 1.573 54.665 53.050 0.070 0.000 0.856 370 N CB -0.129 38.399 38.487 0.069 0.000 0.993 370 N HN 0.325 nan 8.380 nan 0.000 0.426 371 A N 1.292 124.141 122.820 0.049 0.000 1.898 371 A HA -0.024 4.350 4.320 0.089 0.000 0.216 371 A C 2.424 179.993 177.584 -0.024 0.000 1.181 371 A CA 0.774 52.812 52.037 0.001 0.000 0.620 371 A CB -0.667 18.203 19.000 -0.217 0.000 0.819 371 A HN 0.186 nan 8.150 nan 0.000 0.442 372 L N -1.121 120.090 121.223 -0.021 0.000 2.046 372 L HA -0.212 4.181 4.340 0.089 0.000 0.208 372 L C 2.867 179.739 176.870 0.002 0.000 1.077 372 L CA 1.591 56.402 54.840 -0.049 0.000 0.747 372 L CB -0.512 41.549 42.059 0.004 0.000 0.896 372 L HN 0.422 nan 8.230 nan 0.000 0.432 373 M N -0.732 118.891 119.600 0.039 0.000 2.175 373 M HA -0.188 4.345 4.480 0.089 0.000 0.264 373 M C 1.712 177.994 176.300 -0.030 0.000 1.063 373 M CA 1.412 56.699 55.300 -0.022 0.000 1.119 373 M CB -0.453 32.119 32.600 -0.047 0.000 1.377 373 M HN 0.190 nan 8.290 nan 0.000 0.415 374 D N 0.236 120.636 120.400 -0.001 0.000 2.084 374 D HA -0.077 4.616 4.640 0.089 0.000 0.196 374 D C 1.975 178.267 176.300 -0.013 0.000 0.985 374 D CA 1.297 55.299 54.000 0.004 0.000 0.826 374 D CB -0.069 40.761 40.800 0.050 0.000 0.978 374 D HN 0.330 nan 8.370 nan 0.000 0.456 375 R N -0.514 119.974 120.500 -0.019 0.000 2.307 375 R HA 0.183 4.576 4.340 0.089 0.000 0.200 375 R C 0.126 176.373 176.300 -0.089 0.000 0.893 375 R CA 0.191 56.262 56.100 -0.048 0.000 1.042 375 R CB 1.431 31.716 30.300 -0.026 0.000 1.059 375 R HN -0.018 nan 8.270 nan 0.000 0.530 376 V N 1.839 121.695 119.914 -0.096 0.000 2.562 376 V HA 0.172 4.345 4.120 0.089 0.000 0.274 376 V C -1.989 174.110 176.094 0.008 0.000 1.075 376 V CA -0.935 61.309 62.300 -0.095 0.000 1.204 376 V CB 1.108 32.768 31.823 -0.272 0.000 1.478 376 V HN -0.011 nan 8.190 nan 0.000 0.622 377 P HA -0.122 nan 4.420 nan 0.000 0.222 377 P C 1.378 178.717 177.300 0.066 0.000 1.147 377 P CA 1.566 64.674 63.100 0.012 0.000 0.790 377 P CB 0.099 31.796 31.700 -0.005 0.000 0.780 378 T N -3.564 111.074 114.554 0.141 0.000 3.144 378 T HA 0.138 4.541 4.350 0.089 0.000 0.249 378 T C 0.703 175.544 174.700 0.234 0.000 1.089 378 T CA -0.545 61.666 62.100 0.185 0.000 0.989 378 T CB -0.909 68.102 68.868 0.239 0.000 0.992 378 T HN -0.143 nan 8.240 nan 0.000 0.540 379 L N 3.705 125.062 121.223 0.224 0.000 2.578 379 L HA 0.224 4.617 4.340 0.089 0.000 0.279 379 L C 0.386 177.386 176.870 0.216 0.000 1.227 379 L CA 0.568 55.554 54.840 0.243 0.000 0.900 379 L CB 0.023 42.172 42.059 0.149 0.000 1.144 379 L HN 0.541 nan 8.230 nan 0.000 0.496 380 R N 4.306 124.933 120.500 0.213 0.000 2.739 380 R HA 0.557 4.950 4.340 0.089 0.000 0.271 380 R C -1.456 174.926 176.300 0.136 0.000 1.010 380 R CA -1.162 55.030 56.100 0.154 0.000 0.897 380 R CB 0.688 31.065 30.300 0.127 0.000 1.236 380 R HN 0.505 nan 8.270 nan 0.000 0.466 381 L N 1.394 122.678 121.223 0.102 0.000 2.456 381 L HA 0.221 4.615 4.340 0.089 0.000 0.272 381 L C 1.221 178.131 176.870 0.067 0.000 1.189 381 L CA 0.031 54.921 54.840 0.084 0.000 0.846 381 L CB 1.132 43.231 42.059 0.067 0.000 1.111 381 L HN 1.011 nan 8.230 nan 0.000 0.475 382 A N 3.411 126.266 122.820 0.058 0.000 2.238 382 A HA 0.324 4.697 4.320 0.089 0.000 0.210 382 A C 0.361 177.957 177.584 0.019 0.000 1.179 382 A CA 0.233 52.288 52.037 0.030 0.000 0.827 382 A CB 0.034 19.045 19.000 0.019 0.000 0.856 382 A HN 0.523 nan 8.150 nan 0.000 0.488 383 V N -4.740 115.190 119.914 0.026 0.000 3.078 383 V HA 0.659 4.832 4.120 0.089 0.000 0.311 383 V C -3.375 172.732 176.094 0.021 0.000 1.138 383 V CA -2.838 59.473 62.300 0.018 0.000 1.007 383 V CB 1.303 33.135 31.823 0.015 0.000 1.045 383 V HN 0.004 nan 8.190 nan 0.000 0.432 384 P HA 0.234 nan 4.420 nan 0.000 0.266 384 P C 1.068 178.377 177.300 0.014 0.000 1.195 384 P CA -0.021 63.088 63.100 0.014 0.000 0.768 384 P CB 0.923 32.627 31.700 0.006 0.000 0.838 385 V N 2.434 122.359 119.914 0.019 0.000 2.392 385 V HA -0.273 3.901 4.120 0.089 0.000 0.249 385 V C 1.798 177.888 176.094 -0.007 0.000 1.059 385 V CA 2.038 64.348 62.300 0.017 0.000 1.051 385 V CB -1.181 30.661 31.823 0.032 0.000 0.658 385 V HN 0.597 nan 8.190 nan 0.000 0.455 386 E N -0.045 120.147 120.200 -0.013 0.000 2.204 386 E HA -0.223 4.180 4.350 0.089 0.000 0.195 386 E C 2.093 178.680 176.600 -0.022 0.000 0.990 386 E CA 0.906 57.291 56.400 -0.025 0.000 0.821 386 E CB -0.306 29.381 29.700 -0.023 0.000 0.750 386 E HN 0.661 nan 8.360 nan 0.000 0.477 387 Q N -0.031 119.762 119.800 -0.012 0.000 2.451 387 Q HA 0.107 4.500 4.340 0.089 0.000 0.206 387 Q C 0.032 176.026 176.000 -0.010 0.000 0.947 387 Q CA -0.036 55.761 55.803 -0.010 0.000 0.937 387 Q CB 0.141 28.876 28.738 -0.005 0.000 1.025 387 Q HN 0.295 nan 8.270 nan 0.000 0.511 388 L N 0.888 122.106 121.223 -0.009 0.000 2.439 388 L HA 0.105 4.498 4.340 0.089 0.000 0.269 388 L C -0.111 176.748 176.870 -0.019 0.000 1.179 388 L CA -0.410 54.425 54.840 -0.008 0.000 0.828 388 L CB 0.640 42.697 42.059 -0.002 0.000 1.106 388 L HN -0.143 nan 8.230 nan 0.000 0.467 389 V N 4.578 124.482 119.914 -0.018 0.000 2.333 389 V HA 0.289 4.463 4.120 0.089 0.000 0.274 389 V C 0.301 176.377 176.094 -0.030 0.000 1.028 389 V CA -0.407 61.878 62.300 -0.026 0.000 0.851 389 V CB 1.118 32.928 31.823 -0.022 0.000 1.000 389 V HN 0.452 nan 8.190 nan 0.000 0.456 390 L N 5.368 126.565 121.223 -0.043 0.000 2.334 390 L HA 0.557 4.950 4.340 0.089 0.000 0.277 390 L C 0.733 177.571 176.870 -0.054 0.000 1.075 390 L CA -0.655 54.155 54.840 -0.051 0.000 0.804 390 L CB 0.832 42.849 42.059 -0.070 0.000 1.174 390 L HN 0.547 nan 8.230 nan 0.000 0.438 391 R N 2.503 122.973 120.500 -0.050 0.000 2.694 391 R HA 0.216 4.609 4.340 0.089 0.000 0.268 391 R C -2.121 174.137 176.300 -0.070 0.000 1.061 391 R CA -1.261 54.808 56.100 -0.053 0.000 1.133 391 R CB 0.021 30.294 30.300 -0.045 0.000 1.020 391 R HN 0.424 nan 8.270 nan 0.000 0.475 392 P HA 0.038 nan 4.420 nan 0.000 0.277 392 P C 0.173 177.414 177.300 -0.099 0.000 1.271 392 P CA -0.356 62.688 63.100 -0.092 0.000 0.795 392 P CB 0.576 32.226 31.700 -0.083 0.000 1.101 393 G N -0.545 108.175 108.800 -0.133 0.000 2.776 393 G HA2 -0.114 3.899 3.960 0.089 0.000 0.209 393 G HA3 -0.114 3.899 3.960 0.089 0.000 0.209 393 G C 1.029 175.864 174.900 -0.108 0.000 1.145 393 G CA 0.736 45.751 45.100 -0.141 0.000 0.791 393 G HN 0.642 nan 8.290 nan 0.000 0.530 394 T N -3.074 111.426 114.554 -0.089 0.000 3.169 394 T HA 0.293 4.696 4.350 0.089 0.000 0.250 394 T C 0.760 175.446 174.700 -0.024 0.000 1.111 394 T CA 0.607 62.673 62.100 -0.057 0.000 1.010 394 T CB 0.402 69.225 68.868 -0.075 0.000 0.984 394 T HN 0.118 nan 8.240 nan 0.000 0.537 395 T N 0.267 114.806 114.554 -0.026 0.000 2.696 395 T HA 0.530 4.933 4.350 0.089 0.000 0.291 395 T C -1.062 173.632 174.700 -0.009 0.000 1.095 395 T CA -1.041 61.053 62.100 -0.011 0.000 1.026 395 T CB 0.994 69.847 68.868 -0.024 0.000 1.390 395 T HN 0.042 nan 8.240 nan 0.000 0.513 396 I N 3.299 123.864 120.570 -0.008 0.000 2.683 396 I HA 0.107 4.330 4.170 0.089 0.000 0.286 396 I C 1.092 177.195 176.117 -0.022 0.000 1.175 396 I CA 0.023 61.317 61.300 -0.010 0.000 1.429 396 I CB 0.579 38.569 38.000 -0.017 0.000 1.371 396 I HN 0.640 nan 8.210 nan 0.000 0.569 397 Q N 4.347 124.134 119.800 -0.021 0.000 2.432 397 Q HA 0.481 4.874 4.340 0.089 0.000 0.264 397 Q C 0.529 176.512 176.000 -0.028 0.000 1.035 397 Q CA 0.102 55.886 55.803 -0.031 0.000 0.908 397 Q CB 1.225 29.944 28.738 -0.032 0.000 1.280 397 Q HN 0.959 nan 8.270 nan 0.000 0.455 398 G N -0.746 108.036 108.800 -0.030 0.000 2.345 398 G HA2 0.317 4.330 3.960 0.089 0.000 0.285 398 G HA3 0.317 4.330 3.960 0.089 0.000 0.285 398 G C -1.374 173.514 174.900 -0.020 0.000 1.297 398 G CA -0.242 44.846 45.100 -0.020 0.000 0.875 398 G HN 0.708 nan 8.290 nan 0.000 0.506 399 V N -2.407 117.502 119.914 -0.009 0.000 2.823 399 V HA 0.743 4.916 4.120 0.089 0.000 0.312 399 V C 0.239 176.331 176.094 -0.003 0.000 1.072 399 V CA -0.909 61.387 62.300 -0.006 0.000 0.937 399 V CB 2.080 33.906 31.823 0.005 0.000 1.013 399 V HN 0.612 nan 8.190 nan 0.000 0.430 400 N N 1.396 120.093 118.700 -0.004 0.000 2.373 400 N HA 0.135 4.928 4.740 0.089 0.000 0.181 400 N C 0.167 175.682 175.510 0.009 0.000 1.082 400 N CA 0.545 53.594 53.050 -0.001 0.000 0.885 400 N CB 0.682 39.164 38.487 -0.008 0.000 0.977 400 N HN 0.968 nan 8.380 nan 0.000 0.462 401 E N 0.429 120.638 120.200 0.014 0.000 2.308 401 E HA 0.323 4.726 4.350 0.089 0.000 0.275 401 E C -1.768 174.852 176.600 0.033 0.000 0.890 401 E CA -0.626 55.789 56.400 0.025 0.000 0.754 401 E CB 1.500 31.212 29.700 0.019 0.000 1.207 401 E HN -0.145 nan 8.360 nan 0.000 0.426 402 L N 5.684 126.937 121.223 0.050 0.000 2.514 402 L HA 0.459 4.852 4.340 0.089 0.000 0.257 402 L C -2.793 174.123 176.870 0.077 0.000 1.101 402 L CA -1.740 53.136 54.840 0.060 0.000 0.911 402 L CB 1.513 43.612 42.059 0.066 0.000 1.162 402 L HN 0.384 nan 8.230 nan 0.000 0.477 403 P HA 0.228 nan 4.420 nan 0.000 0.267 403 P C -0.939 176.418 177.300 0.095 0.000 1.209 403 P CA 0.158 63.302 63.100 0.073 0.000 0.763 403 P CB 0.877 32.603 31.700 0.044 0.000 0.816 404 V N 0.620 120.619 119.914 0.142 0.000 3.040 404 V HA 0.904 5.077 4.120 0.089 0.000 0.312 404 V C -0.416 175.805 176.094 0.212 0.000 1.115 404 V CA -0.580 61.839 62.300 0.198 0.000 0.998 404 V CB 2.139 34.114 31.823 0.252 0.000 1.042 404 V HN 0.486 nan 8.190 nan 0.000 0.433 405 T N 1.406 116.086 114.554 0.209 0.000 2.838 405 T HA 0.897 5.300 4.350 0.089 0.000 0.292 405 T C -1.784 173.095 174.700 0.298 0.000 1.113 405 T CA 0.023 62.140 62.100 0.029 0.000 1.008 405 T CB 1.847 70.636 68.868 -0.131 0.000 1.259 405 T HN 1.584 nan 8.240 nan 0.000 0.520 406 W N 0.055 121.386 121.300 0.053 0.000 2.881 406 W HA 0.586 5.299 4.660 0.089 0.000 0.380 406 W C -1.628 174.949 176.519 0.097 0.000 1.170 406 W CA -1.039 56.359 57.345 0.088 0.000 1.171 406 W CB 0.032 29.550 29.460 0.097 0.000 1.464 406 W HN 0.848 nan 8.180 nan 0.000 0.574 407 H N 1.125 120.360 119.070 0.276 0.000 2.944 407 H HA 0.210 4.819 4.556 0.088 0.000 0.278 407 H C -0.286 175.137 175.328 0.158 0.000 1.083 407 H CA 0.308 56.411 56.048 0.093 0.000 1.479 407 H CB 0.185 29.959 29.762 0.020 0.000 1.486 407 H HN 0.520 nan 8.280 nan 0.000 0.493 408 H N 5.334 124.143 119.070 -0.435 0.000 2.878 408 H HA 0.109 4.718 4.556 0.088 0.000 0.290 408 H C -0.439 174.780 175.328 -0.182 0.000 1.065 408 H CA -0.093 55.850 56.048 -0.175 0.000 1.477 408 H CB -0.159 29.459 29.762 -0.239 0.000 1.484 408 H HN 0.683 nan 8.280 nan 0.000 0.504 409 H N 4.347 123.289 119.070 -0.214 0.000 2.517 409 H HA 0.081 4.690 4.556 0.088 0.000 0.317 409 H C 0.162 175.232 175.328 -0.430 0.000 1.080 409 H CA -0.491 55.455 56.048 -0.169 0.000 1.301 409 H CB 0.738 30.510 29.762 0.018 0.000 1.425 409 H HN 0.765 nan 8.280 nan 0.000 0.471 410 H N 0.000 118.927 119.070 -0.239 0.000 2.539 410 H HA 0.000 4.609 4.556 0.089 0.000 0.296 410 H CA 0.000 55.953 56.048 -0.158 0.000 1.023 410 H CB 0.000 29.740 29.762 -0.037 0.000 1.292 410 H HN 0.000 nan 8.280 nan 0.000 0.496