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 3cv9_1_A DATA FIRST_RESID 8 DATA SEQUENCE PQTTDAPAFP SNRSCPYQLP DGYAQLRDTP GPLHRVTLYD GRQAWVVTKH DATA SEQUENCE EAARKLLGDP RLSSNATDDN FPATSPAFEA VRESPQAFIG 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 H 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 -0.850 118.951 119.800 0.003 0.000 2.282 9 Q HA 0.148 4.533 4.340 0.075 0.000 0.206 9 Q C 0.026 176.030 176.000 0.007 0.000 0.878 9 Q CA 0.464 56.269 55.803 0.004 0.000 0.944 9 Q CB 0.363 29.103 28.738 0.003 0.000 1.100 9 Q HN 0.557 nan 8.270 nan 0.000 0.509 10 T N 2.033 116.592 114.554 0.009 0.000 2.933 10 T HA 0.079 4.474 4.350 0.075 0.000 0.306 10 T C 0.242 174.950 174.700 0.014 0.000 1.045 10 T CA 0.924 63.032 62.100 0.014 0.000 1.143 10 T CB 0.499 69.376 68.868 0.015 0.000 1.003 10 T HN 0.107 nan 8.240 nan 0.000 0.540 11 T N 0.762 115.329 114.554 0.022 0.000 2.916 11 T HA 0.425 4.820 4.350 0.075 0.000 0.292 11 T C -0.096 174.630 174.700 0.044 0.000 1.055 11 T CA -0.930 61.183 62.100 0.022 0.000 1.009 11 T CB 1.356 70.235 68.868 0.018 0.000 1.118 11 T HN 0.625 nan 8.240 nan 0.000 0.497 12 D N 1.058 121.478 120.400 0.034 0.000 2.402 12 D HA 0.338 5.023 4.640 0.075 0.000 0.216 12 D C 0.181 176.526 176.300 0.075 0.000 1.128 12 D CA -0.291 53.746 54.000 0.063 0.000 0.833 12 D CB 0.192 40.989 40.800 -0.004 0.000 0.971 12 D HN 0.520 nan 8.370 nan 0.000 0.503 13 A N 1.569 124.419 122.820 0.050 0.000 3.266 13 A HA 0.461 4.826 4.320 0.075 0.000 0.310 13 A C -2.812 174.799 177.584 0.044 0.000 1.066 13 A CA -1.110 50.943 52.037 0.027 0.000 0.839 13 A CB 0.806 19.764 19.000 -0.071 0.000 1.192 13 A HN -0.042 nan 8.150 nan 0.000 0.496 14 P HA 0.244 nan 4.420 nan 0.000 0.269 14 P C 0.412 177.773 177.300 0.101 0.000 1.209 14 P CA 0.297 63.441 63.100 0.074 0.000 0.776 14 P CB 0.775 32.516 31.700 0.068 0.000 0.876 15 A N 2.929 125.806 122.820 0.093 0.000 2.540 15 A HA 0.279 4.644 4.320 0.075 0.000 0.239 15 A C -0.424 177.284 177.584 0.208 0.000 1.061 15 A CA 0.514 52.620 52.037 0.116 0.000 0.758 15 A CB -0.914 18.129 19.000 0.072 0.000 0.991 15 A HN 0.561 nan 8.150 nan 0.000 0.502 16 F N 3.877 123.857 119.950 0.049 0.000 2.591 16 F HA 0.640 5.210 4.527 0.073 0.000 0.309 16 F C -2.587 173.259 175.800 0.076 0.000 1.098 16 F CA -2.137 55.909 58.000 0.076 0.000 0.937 16 F CB 2.127 41.143 39.000 0.027 0.000 1.250 16 F HN 0.401 nan 8.300 nan 0.000 0.447 17 P HA 0.378 nan 4.420 nan 0.000 0.274 17 P C -1.309 175.798 177.300 -0.322 0.000 1.256 17 P CA -0.323 62.203 63.100 -0.957 0.000 0.795 17 P CB 0.978 32.300 31.700 -0.630 0.000 1.038 18 S N 0.114 115.665 115.700 -0.249 0.000 2.648 18 S HA 0.486 5.001 4.470 0.075 0.000 0.305 18 S C -0.475 173.895 174.600 -0.384 0.000 1.094 18 S CA -0.702 57.342 58.200 -0.260 0.000 0.983 18 S CB 0.779 63.835 63.200 -0.241 0.000 1.101 18 S HN 0.339 nan 8.310 nan 0.000 0.514 19 N N 1.553 120.079 118.700 -0.290 0.000 2.473 19 N HA 0.322 5.107 4.740 0.075 0.000 0.291 19 N C -0.395 174.943 175.510 -0.287 0.000 1.083 19 N CA -0.463 52.432 53.050 -0.258 0.000 0.951 19 N CB 0.598 38.983 38.487 -0.170 0.000 1.164 19 N HN 0.415 nan 8.380 nan 0.000 0.480 20 R N 0.203 120.545 120.500 -0.262 0.000 2.590 20 R HA 0.086 4.471 4.340 0.075 0.000 0.274 20 R C 0.810 177.000 176.300 -0.183 0.000 1.061 20 R CA 0.106 56.066 56.100 -0.235 0.000 1.081 20 R CB 0.398 30.578 30.300 -0.201 0.000 0.984 20 R HN 0.732 nan 8.270 nan 0.000 0.448 21 S N -0.127 115.467 115.700 -0.176 0.000 2.526 21 S HA 0.035 4.550 4.470 0.075 0.000 0.220 21 S C 0.512 175.014 174.600 -0.163 0.000 1.017 21 S CA -0.571 57.541 58.200 -0.146 0.000 0.930 21 S CB 0.418 63.544 63.200 -0.123 0.000 0.856 21 S HN 0.606 nan 8.310 nan 0.000 0.497 22 C N 3.209 122.381 119.300 -0.213 0.000 2.431 22 C HA 0.667 5.173 4.460 0.075 0.000 0.321 22 C C -1.752 173.040 174.990 -0.331 0.000 1.202 22 C CA -1.992 56.841 59.018 -0.307 0.000 1.398 22 C CB 1.546 29.054 27.740 -0.388 0.000 2.047 22 C HN 0.208 nan 8.230 nan 0.000 0.465 23 P HA -0.137 nan 4.420 nan 0.000 0.217 23 P C 0.320 177.546 177.300 -0.123 0.000 1.148 23 P CA 1.836 64.838 63.100 -0.163 0.000 0.828 23 P CB -0.196 31.474 31.700 -0.048 0.000 0.783 24 Y N -2.818 117.447 120.300 -0.059 0.000 2.681 24 Y HA 0.714 5.309 4.550 0.075 0.000 0.267 24 Y C 0.262 175.992 175.900 -0.283 0.000 1.166 24 Y CA -1.308 56.715 58.100 -0.130 0.000 1.209 24 Y CB -0.540 37.951 38.460 0.052 0.000 1.161 24 Y HN -0.212 nan 8.280 nan 0.000 0.534 25 Q N 1.246 120.897 119.800 -0.250 0.000 2.397 25 Q HA 0.492 4.877 4.340 0.075 0.000 0.275 25 Q C -0.887 175.008 176.000 -0.175 0.000 1.090 25 Q CA -0.866 54.818 55.803 -0.199 0.000 0.809 25 Q CB 2.323 30.957 28.738 -0.172 0.000 1.362 25 Q HN 0.520 nan 8.270 nan 0.000 0.431 26 L N 3.777 124.929 121.223 -0.119 0.000 2.514 26 L HA 0.195 4.580 4.340 0.075 0.000 0.280 26 L C -1.813 174.969 176.870 -0.147 0.000 1.223 26 L CA -1.417 53.378 54.840 -0.075 0.000 0.864 26 L CB -0.089 41.997 42.059 0.045 0.000 1.118 26 L HN 0.442 nan 8.230 nan 0.000 0.494 27 P HA -0.012 nan 4.420 nan 0.000 0.268 27 P C -0.008 177.198 177.300 -0.157 0.000 1.208 27 P CA -0.186 62.718 63.100 -0.326 0.000 0.777 27 P CB 0.519 31.821 31.700 -0.662 0.000 0.875 28 D N 2.055 122.390 120.400 -0.108 0.000 2.133 28 D HA -0.154 4.531 4.640 0.075 0.000 0.192 28 D C 2.216 178.523 176.300 0.012 0.000 1.001 28 D CA 2.149 56.125 54.000 -0.040 0.000 0.844 28 D CB -0.896 39.881 40.800 -0.039 0.000 0.944 28 D HN 0.569 nan 8.370 nan 0.000 0.447 29 G N -0.543 108.271 108.800 0.023 0.000 2.450 29 G HA2 -0.275 3.730 3.960 0.075 0.000 0.220 29 G HA3 -0.275 3.730 3.960 0.075 0.000 0.220 29 G C 1.285 176.341 174.900 0.261 0.000 1.130 29 G CA 0.560 45.731 45.100 0.118 0.000 0.760 29 G HN 0.251 nan 8.290 nan 0.000 0.557 30 Y N 0.981 121.285 120.300 0.007 0.000 2.337 30 Y HA 0.230 4.825 4.550 0.076 0.000 0.293 30 Y C 2.988 178.891 175.900 0.004 0.000 1.123 30 Y CA -0.198 57.917 58.100 0.026 0.000 1.201 30 Y CB -0.890 37.589 38.460 0.032 0.000 1.011 30 Y HN 0.264 nan 8.280 nan 0.000 0.545 31 A N 0.620 123.535 122.820 0.158 0.000 1.898 31 A HA -0.257 4.109 4.320 0.075 0.000 0.216 31 A C 2.199 179.817 177.584 0.056 0.000 1.181 31 A CA 1.810 53.897 52.037 0.084 0.000 0.620 31 A CB -0.736 18.292 19.000 0.047 0.000 0.819 31 A HN 0.579 nan 8.150 nan 0.000 0.442 32 Q N -0.104 119.724 119.800 0.045 0.000 2.167 32 Q HA -0.005 4.380 4.340 0.075 0.000 0.202 32 Q C 1.747 177.729 176.000 -0.031 0.000 0.970 32 Q CA 1.665 57.474 55.803 0.009 0.000 0.855 32 Q CB -0.622 28.115 28.738 -0.001 0.000 0.911 32 Q HN 0.567 nan 8.270 nan 0.000 0.438 33 L N 0.200 121.396 121.223 -0.044 0.000 2.056 33 L HA -0.059 4.326 4.340 0.075 0.000 0.207 33 L C 2.906 179.756 176.870 -0.033 0.000 1.078 33 L CA 0.984 55.757 54.840 -0.111 0.000 0.749 33 L CB -0.571 41.399 42.059 -0.148 0.000 0.901 33 L HN 0.260 nan 8.230 nan 0.000 0.433 34 R N 0.655 121.161 120.500 0.010 0.000 2.105 34 R HA -0.198 4.188 4.340 0.075 0.000 0.239 34 R C 1.385 177.705 176.300 0.032 0.000 1.135 34 R CA 1.945 58.064 56.100 0.032 0.000 0.967 34 R CB -0.421 29.914 30.300 0.058 0.000 0.861 34 R HN 0.361 nan 8.270 nan 0.000 0.442 35 D N -0.059 120.358 120.400 0.028 0.000 2.323 35 D HA -0.003 4.682 4.640 0.075 0.000 0.209 35 D C 0.001 176.320 176.300 0.032 0.000 0.973 35 D CA 0.557 54.576 54.000 0.030 0.000 0.874 35 D CB 0.105 40.922 40.800 0.029 0.000 0.930 35 D HN 0.135 nan 8.370 nan 0.000 0.521 36 T N 3.084 117.657 114.554 0.033 0.000 2.814 36 T HA 0.246 4.641 4.350 0.075 0.000 0.297 36 T C -2.364 172.376 174.700 0.067 0.000 0.956 36 T CA -1.336 60.801 62.100 0.063 0.000 1.123 36 T CB 1.424 70.352 68.868 0.100 0.000 0.902 36 T HN -0.092 nan 8.240 nan 0.000 0.528 37 P HA 0.338 nan 4.420 nan 0.000 0.265 37 P C 0.496 177.822 177.300 0.043 0.000 1.187 37 P CA 0.801 63.925 63.100 0.039 0.000 0.766 37 P CB 0.229 31.947 31.700 0.030 0.000 0.820 38 G N 3.530 112.341 108.800 0.019 0.000 2.629 38 G HA2 -0.088 3.917 3.960 0.075 0.000 0.686 38 G HA3 -0.088 3.917 3.960 0.075 0.000 0.686 38 G C -2.320 172.577 174.900 -0.005 0.000 1.232 38 G CA -0.522 44.577 45.100 -0.001 0.000 0.803 38 G HN 0.308 nan 8.290 nan 0.000 0.638 39 P HA 0.099 nan 4.420 nan 0.000 0.222 39 P C 0.841 178.107 177.300 -0.055 0.000 1.153 39 P CA 0.986 64.050 63.100 -0.059 0.000 0.798 39 P CB 0.265 31.904 31.700 -0.102 0.000 0.796 40 L N -1.363 119.827 121.223 -0.054 0.000 2.323 40 L HA 0.579 4.964 4.340 0.075 0.000 0.265 40 L C -0.033 176.957 176.870 0.200 0.000 1.012 40 L CA -0.903 53.936 54.840 -0.002 0.000 0.820 40 L CB 2.106 43.990 42.059 -0.290 0.000 1.334 40 L HN -0.003 nan 8.230 nan 0.000 0.427 41 H N 1.578 120.794 119.070 0.244 0.000 3.038 41 H HA 0.397 4.998 4.556 0.074 0.000 0.362 41 H C -1.147 174.268 175.328 0.145 0.000 1.167 41 H CA -0.728 55.446 56.048 0.209 0.000 1.197 41 H CB 2.451 32.242 29.762 0.049 0.000 1.840 41 H HN 0.563 nan 8.280 nan 0.000 0.540 42 R N 1.812 122.265 120.500 -0.078 0.000 2.594 42 R HA 0.385 4.770 4.340 0.075 0.000 0.272 42 R C -0.212 176.072 176.300 -0.027 0.000 1.074 42 R CA -0.311 55.607 56.100 -0.302 0.000 1.105 42 R CB 0.902 30.908 30.300 -0.489 0.000 1.008 42 R HN 0.367 nan 8.270 nan 0.000 0.472 43 V N -1.558 118.267 119.914 -0.149 0.000 3.160 43 V HA 0.567 4.732 4.120 0.075 0.000 0.310 43 V C -0.506 175.542 176.094 -0.077 0.000 1.181 43 V CA -0.939 61.325 62.300 -0.059 0.000 1.047 43 V CB 2.318 34.087 31.823 -0.089 0.000 1.068 43 V HN 0.649 nan 8.190 nan 0.000 0.441 44 T N 3.231 117.786 114.554 0.000 0.000 2.772 44 T HA 0.645 5.040 4.350 0.075 0.000 0.288 44 T C -0.056 174.675 174.700 0.052 0.000 0.994 44 T CA -0.277 61.817 62.100 -0.010 0.000 0.951 44 T CB 0.818 69.679 68.868 -0.012 0.000 0.933 44 T HN 0.628 nan 8.240 nan 0.000 0.447 45 L N 2.437 123.674 121.223 0.025 0.000 2.475 45 L HA 0.230 4.615 4.340 0.075 0.000 0.250 45 L C 2.022 178.919 176.870 0.044 0.000 1.224 45 L CA -0.723 54.170 54.840 0.088 0.000 0.821 45 L CB 0.163 42.256 42.059 0.056 0.000 1.141 45 L HN 0.800 nan 8.230 nan 0.000 0.494 46 Y N 0.252 120.570 120.300 0.029 0.000 2.256 46 Y HA -0.245 4.348 4.550 0.071 0.000 0.288 46 Y C 1.671 177.580 175.900 0.015 0.000 1.155 46 Y CA 1.142 59.252 58.100 0.018 0.000 1.203 46 Y CB -0.881 37.589 38.460 0.016 0.000 0.980 46 Y HN 0.704 nan 8.280 nan 0.000 0.530 47 D N -0.764 119.068 120.400 -0.946 0.000 2.340 47 D HA 0.156 4.842 4.640 0.075 0.000 0.220 47 D C 1.823 177.939 176.300 -0.305 0.000 1.039 47 D CA 0.496 54.067 54.000 -0.715 0.000 0.866 47 D CB -0.262 40.025 40.800 -0.855 0.000 0.913 47 D HN 0.588 nan 8.370 nan 0.000 0.523 48 G N 0.398 109.074 108.800 -0.207 0.000 2.159 48 G HA2 -0.326 3.679 3.960 0.075 0.000 0.256 48 G HA3 -0.326 3.679 3.960 0.075 0.000 0.256 48 G C 0.226 175.056 174.900 -0.116 0.000 0.977 48 G CA -0.115 44.914 45.100 -0.120 0.000 0.652 48 G HN 0.442 nan 8.290 nan 0.000 0.531 49 R N 0.417 120.833 120.500 -0.140 0.000 2.441 49 R HA 0.433 4.818 4.340 0.075 0.000 0.284 49 R C 0.509 176.737 176.300 -0.121 0.000 1.070 49 R CA -0.204 55.824 56.100 -0.120 0.000 1.047 49 R CB 0.572 30.803 30.300 -0.113 0.000 1.016 49 R HN 0.453 nan 8.270 nan 0.000 0.477 50 Q N 0.599 120.312 119.800 -0.145 0.000 2.259 50 Q HA 0.540 4.926 4.340 0.075 0.000 0.246 50 Q C -0.722 175.131 176.000 -0.245 0.000 0.920 50 Q CA -0.406 55.276 55.803 -0.200 0.000 0.895 50 Q CB 1.937 30.521 28.738 -0.256 0.000 1.220 50 Q HN 0.657 nan 8.270 nan 0.000 0.439 51 A N 1.414 124.058 122.820 -0.293 0.000 2.564 51 A HA 0.670 5.035 4.320 0.075 0.000 0.288 51 A C -2.039 175.295 177.584 -0.418 0.000 1.164 51 A CA -0.778 51.075 52.037 -0.306 0.000 0.712 51 A CB 0.836 19.726 19.000 -0.184 0.000 1.303 51 A HN 0.720 nan 8.150 nan 0.000 0.418 52 W N 0.187 121.391 121.300 -0.159 0.000 2.438 52 W HA 0.519 5.221 4.660 0.070 0.000 0.324 52 W C 0.162 176.531 176.519 -0.250 0.000 1.119 52 W CA -0.436 56.807 57.345 -0.171 0.000 1.221 52 W CB 1.777 31.153 29.460 -0.140 0.000 1.253 52 W HN 0.655 nan 8.180 nan 0.000 0.555 53 V N 0.650 120.567 119.914 0.005 0.000 2.667 53 V HA 0.763 4.929 4.120 0.075 0.000 0.308 53 V C -0.760 175.297 176.094 -0.063 0.000 1.048 53 V CA -1.176 61.013 62.300 -0.184 0.000 0.928 53 V CB 1.245 32.761 31.823 -0.511 0.000 1.004 53 V HN 0.291 nan 8.190 nan 0.000 0.444 54 V N 3.949 123.801 119.914 -0.103 0.000 2.394 54 V HA 0.541 4.706 4.120 0.075 0.000 0.282 54 V C 1.092 177.140 176.094 -0.077 0.000 1.031 54 V CA 0.498 62.750 62.300 -0.079 0.000 0.881 54 V CB 1.183 32.954 31.823 -0.088 0.000 0.982 54 V HN 1.164 nan 8.190 nan 0.000 0.451 55 T N 0.061 114.587 114.554 -0.047 0.000 3.170 55 T HA 0.376 4.771 4.350 0.075 0.000 0.288 55 T C 0.181 174.882 174.700 0.002 0.000 0.992 55 T CA -0.442 61.639 62.100 -0.031 0.000 0.909 55 T CB 0.171 69.026 68.868 -0.021 0.000 1.133 55 T HN 0.391 nan 8.240 nan 0.000 0.530 56 K N 0.423 120.822 120.400 -0.002 0.000 2.435 56 K HA 0.378 4.743 4.320 0.075 0.000 0.251 56 K C 0.289 176.909 176.600 0.033 0.000 0.954 56 K CA -0.840 55.463 56.287 0.026 0.000 0.820 56 K CB 1.578 34.081 32.500 0.004 0.000 1.292 56 K HN 0.024 nan 8.250 nan 0.000 0.436 57 H N 1.353 120.409 119.070 -0.023 0.000 2.284 57 H HA -0.079 4.524 4.556 0.078 0.000 0.304 57 H C 1.091 176.370 175.328 -0.081 0.000 1.069 57 H CA 2.230 58.264 56.048 -0.023 0.000 1.327 57 H CB 0.655 30.409 29.762 -0.014 0.000 1.387 57 H HN 0.661 nan 8.280 nan 0.000 0.498 58 E N 0.877 121.104 120.200 0.046 0.000 2.077 58 E HA -0.079 4.316 4.350 0.075 0.000 0.193 58 E C 2.319 178.828 176.600 -0.151 0.000 0.989 58 E CA 1.526 57.885 56.400 -0.069 0.000 0.800 58 E CB -0.550 29.124 29.700 -0.043 0.000 0.746 58 E HN 0.486 nan 8.360 nan 0.000 0.452 59 A N 0.752 123.506 122.820 -0.110 0.000 1.978 59 A HA -0.108 4.258 4.320 0.075 0.000 0.220 59 A C 2.415 179.910 177.584 -0.148 0.000 1.170 59 A CA 2.144 54.107 52.037 -0.123 0.000 0.636 59 A CB -0.992 17.947 19.000 -0.101 0.000 0.810 59 A HN 0.385 nan 8.150 nan 0.000 0.448 60 A N 0.006 122.727 122.820 -0.164 0.000 1.858 60 A HA -0.193 4.172 4.320 0.075 0.000 0.216 60 A C 2.242 179.692 177.584 -0.222 0.000 1.190 60 A CA 1.645 53.581 52.037 -0.168 0.000 0.617 60 A CB -0.504 18.392 19.000 -0.173 0.000 0.827 60 A HN 0.566 nan 8.150 nan 0.000 0.443 61 R N -0.566 119.697 120.500 -0.394 0.000 2.091 61 R HA -0.152 4.233 4.340 0.075 0.000 0.238 61 R C 2.388 178.411 176.300 -0.462 0.000 1.136 61 R CA 1.748 57.428 56.100 -0.700 0.000 0.959 61 R CB -0.317 29.386 30.300 -0.996 0.000 0.856 61 R HN 0.603 nan 8.270 nan 0.000 0.437 62 K N 0.939 121.168 120.400 -0.286 0.000 2.032 62 K HA -0.135 4.231 4.320 0.075 0.000 0.209 62 K C 1.954 178.511 176.600 -0.072 0.000 1.048 62 K CA 1.331 57.528 56.287 -0.151 0.000 0.927 62 K CB -0.022 32.402 32.500 -0.126 0.000 0.712 62 K HN 0.118 nan 8.250 nan 0.000 0.441 63 L N 0.430 121.606 121.223 -0.079 0.000 2.179 63 L HA -0.067 4.319 4.340 0.075 0.000 0.208 63 L C 2.179 179.058 176.870 0.015 0.000 1.096 63 L CA 0.457 55.270 54.840 -0.044 0.000 0.779 63 L CB -0.175 41.838 42.059 -0.077 0.000 0.922 63 L HN 0.195 nan 8.230 nan 0.000 0.443 64 L N -0.313 120.940 121.223 0.049 0.000 2.191 64 L HA -0.104 4.281 4.340 0.075 0.000 0.212 64 L C 2.365 179.374 176.870 0.232 0.000 1.103 64 L CA 1.119 56.053 54.840 0.157 0.000 0.769 64 L CB -0.693 41.510 42.059 0.241 0.000 0.908 64 L HN 0.298 nan 8.230 nan 0.000 0.438 65 G N -1.892 107.061 108.800 0.253 0.000 2.777 65 G HA2 -0.132 3.873 3.960 0.075 0.000 0.211 65 G HA3 -0.132 3.873 3.960 0.075 0.000 0.211 65 G C 0.357 175.328 174.900 0.118 0.000 1.149 65 G CA -0.181 45.070 45.100 0.252 0.000 0.785 65 G HN 0.146 nan 8.290 nan 0.000 0.536 66 D N 1.034 121.478 120.400 0.074 0.000 2.336 66 D HA 0.174 4.860 4.640 0.075 0.000 0.249 66 D C -1.110 175.215 176.300 0.041 0.000 1.213 66 D CA -2.035 51.988 54.000 0.038 0.000 0.870 66 D CB 2.054 42.858 40.800 0.008 0.000 1.076 66 D HN 0.064 nan 8.370 nan 0.000 0.483 67 P HA -0.059 nan 4.420 nan 0.000 0.230 67 P C 0.905 178.227 177.300 0.037 0.000 1.158 67 P CA 0.436 63.559 63.100 0.038 0.000 0.769 67 P CB 0.363 32.081 31.700 0.030 0.000 0.807 68 R N -0.629 119.887 120.500 0.026 0.000 2.280 68 R HA 0.109 4.494 4.340 0.075 0.000 0.207 68 R C 0.898 177.214 176.300 0.027 0.000 1.043 68 R CA 0.356 56.469 56.100 0.022 0.000 1.006 68 R CB -0.319 29.984 30.300 0.006 0.000 0.885 68 R HN 0.258 nan 8.270 nan 0.000 0.467 69 L N 1.638 122.879 121.223 0.031 0.000 2.272 69 L HA 0.187 4.572 4.340 0.075 0.000 0.284 69 L C 0.067 176.976 176.870 0.066 0.000 1.045 69 L CA -0.437 54.424 54.840 0.035 0.000 0.842 69 L CB 1.501 43.570 42.059 0.016 0.000 1.224 69 L HN 0.001 nan 8.230 nan 0.000 0.430 70 S N 1.347 117.099 115.700 0.086 0.000 2.584 70 S HA 0.173 4.689 4.470 0.075 0.000 0.273 70 S C 0.993 175.694 174.600 0.168 0.000 1.311 70 S CA -0.495 57.778 58.200 0.121 0.000 1.034 70 S CB 1.346 64.620 63.200 0.124 0.000 0.939 70 S HN 0.578 nan 8.310 nan 0.000 0.513 71 S N 3.096 118.884 115.700 0.147 0.000 2.634 71 S HA 0.134 4.649 4.470 0.075 0.000 0.221 71 S C 0.448 175.122 174.600 0.124 0.000 0.952 71 S CA -0.354 57.928 58.200 0.137 0.000 0.930 71 S CB -0.581 62.519 63.200 -0.166 0.000 0.780 71 S HN 0.756 nan 8.310 nan 0.000 0.498 72 N N 2.539 121.327 118.700 0.146 0.000 2.400 72 N HA 0.156 4.941 4.740 0.075 0.000 0.278 72 N C 0.760 176.194 175.510 -0.127 0.000 1.247 72 N CA -0.102 52.971 53.050 0.040 0.000 0.970 72 N CB 0.580 39.119 38.487 0.087 0.000 1.312 72 N HN 0.223 nan 8.380 nan 0.000 0.488 73 A N 2.413 124.971 122.820 -0.437 0.000 2.168 73 A HA -0.084 4.281 4.320 0.075 0.000 0.215 73 A C 1.832 179.254 177.584 -0.270 0.000 1.152 73 A CA 1.446 52.989 52.037 -0.825 0.000 0.716 73 A CB -0.538 18.105 19.000 -0.595 0.000 0.794 73 A HN 0.713 nan 8.150 nan 0.000 0.465 74 T N -2.833 111.647 114.554 -0.124 0.000 3.081 74 T HA 0.019 4.414 4.350 0.075 0.000 0.255 74 T C 0.564 175.294 174.700 0.050 0.000 1.113 74 T CA 0.266 62.349 62.100 -0.028 0.000 1.082 74 T CB -0.342 68.511 68.868 -0.026 0.000 0.939 74 T HN 0.383 nan 8.240 nan 0.000 0.506 75 D N 1.749 122.207 120.400 0.096 0.000 2.425 75 D HA -0.009 4.676 4.640 0.075 0.000 0.247 75 D C 0.229 176.630 176.300 0.168 0.000 1.147 75 D CA -0.079 54.004 54.000 0.138 0.000 0.879 75 D CB 0.985 41.892 40.800 0.179 0.000 1.179 75 D HN 0.071 nan 8.370 nan 0.000 0.456 76 D N 2.668 123.140 120.400 0.121 0.000 2.228 76 D HA -0.160 4.525 4.640 0.075 0.000 0.203 76 D C 0.930 177.305 176.300 0.126 0.000 0.988 76 D CA 0.977 55.044 54.000 0.113 0.000 0.864 76 D CB 0.161 41.005 40.800 0.074 0.000 0.928 76 D HN 0.453 nan 8.370 nan 0.000 0.469 77 N N -0.206 118.570 118.700 0.127 0.000 2.336 77 N HA -0.029 4.757 4.740 0.075 0.000 0.189 77 N C 0.154 175.735 175.510 0.119 0.000 1.113 77 N CA -0.226 52.882 53.050 0.097 0.000 0.858 77 N CB 0.093 38.618 38.487 0.063 0.000 0.970 77 N HN 0.143 nan 8.380 nan 0.000 0.471 78 F N 4.331 124.315 119.950 0.056 0.000 2.572 78 F HA 0.094 4.672 4.527 0.086 0.000 0.370 78 F C -1.517 174.293 175.800 0.018 0.000 1.103 78 F CA -1.691 56.340 58.000 0.051 0.000 1.286 78 F CB 0.768 39.833 39.000 0.108 0.000 1.105 78 F HN -0.026 nan 8.300 nan 0.000 0.583 79 P HA 0.130 nan 4.420 nan 0.000 0.230 79 P C -0.883 176.301 177.300 -0.192 0.000 1.791 79 P CA -0.080 62.849 63.100 -0.286 0.000 1.020 79 P CB -0.327 31.150 31.700 -0.372 0.000 1.977 80 A N 2.311 125.151 122.820 0.034 0.000 2.546 80 A HA 0.187 4.552 4.320 0.075 0.000 0.243 80 A C 1.516 179.180 177.584 0.134 0.000 1.063 80 A CA 0.439 52.472 52.037 -0.006 0.000 0.757 80 A CB -0.136 19.039 19.000 0.292 0.000 0.991 80 A HN 0.479 nan 8.150 nan 0.000 0.503 81 T N -0.813 113.738 114.554 -0.006 0.000 3.060 81 T HA 0.376 4.771 4.350 0.075 0.000 0.249 81 T C 0.537 175.169 174.700 -0.114 0.000 1.079 81 T CA 0.517 62.661 62.100 0.073 0.000 1.013 81 T CB -0.515 68.367 68.868 0.022 0.000 0.975 81 T HN 1.675 nan 8.240 nan 0.000 0.518 82 S N -0.158 115.302 115.700 -0.400 0.000 2.587 82 S HA 0.496 5.011 4.470 0.075 0.000 0.269 82 S C -2.901 171.283 174.600 -0.693 0.000 1.154 82 S CA -1.084 56.584 58.200 -0.888 0.000 0.824 82 S CB 1.368 64.339 63.200 -0.382 0.000 1.118 82 S HN -0.141 nan 8.310 nan 0.000 0.462 83 P HA 0.068 nan 4.420 nan 0.000 0.220 83 P C 1.550 178.834 177.300 -0.026 0.000 1.148 83 P CA 1.847 64.849 63.100 -0.163 0.000 0.803 83 P CB -0.257 31.392 31.700 -0.085 0.000 0.782 84 A N -1.088 121.705 122.820 -0.046 0.000 2.024 84 A HA -0.197 4.169 4.320 0.075 0.000 0.220 84 A C 1.949 179.569 177.584 0.060 0.000 1.164 84 A CA 1.082 53.122 52.037 0.005 0.000 0.643 84 A CB -1.876 17.121 19.000 -0.005 0.000 0.806 84 A HN 0.139 nan 8.150 nan 0.000 0.451 85 F N 0.827 120.751 119.950 -0.043 0.000 2.408 85 F HA -0.095 4.466 4.527 0.058 0.000 0.300 85 F C 1.982 177.783 175.800 0.002 0.000 1.090 85 F CA 1.407 59.405 58.000 -0.004 0.000 1.427 85 F CB -0.140 38.889 39.000 0.047 0.000 1.070 85 F HN 0.493 nan 8.300 nan 0.000 0.549 86 E N 0.199 120.430 120.200 0.052 0.000 2.130 86 E HA -0.280 4.115 4.350 0.075 0.000 0.196 86 E C 2.317 178.848 176.600 -0.115 0.000 0.998 86 E CA 1.093 57.486 56.400 -0.011 0.000 0.806 86 E CB -0.247 29.474 29.700 0.035 0.000 0.738 86 E HN 0.429 nan 8.360 nan 0.000 0.459 87 A N 0.268 123.014 122.820 -0.125 0.000 2.032 87 A HA -0.166 4.199 4.320 0.075 0.000 0.221 87 A C 2.304 179.746 177.584 -0.236 0.000 1.165 87 A CA 1.559 53.511 52.037 -0.142 0.000 0.645 87 A CB -0.434 18.504 19.000 -0.102 0.000 0.807 87 A HN 0.236 nan 8.150 nan 0.000 0.453 88 V N 0.626 120.271 119.914 -0.448 0.000 2.302 88 V HA -0.233 3.933 4.120 0.075 0.000 0.243 88 V C 2.552 178.386 176.094 -0.432 0.000 1.036 88 V CA 1.971 63.923 62.300 -0.580 0.000 1.020 88 V CB -0.858 30.245 31.823 -1.200 0.000 0.657 88 V HN 0.727 nan 8.190 nan 0.000 0.453 89 R N 1.005 121.256 120.500 -0.415 0.000 2.193 89 R HA -0.177 4.208 4.340 0.075 0.000 0.229 89 R C 1.930 178.156 176.300 -0.123 0.000 1.110 89 R CA 1.670 57.644 56.100 -0.209 0.000 0.988 89 R CB -0.381 29.867 30.300 -0.086 0.000 0.871 89 R HN 0.521 nan 8.270 nan 0.000 0.458 90 E N 1.132 121.262 120.200 -0.117 0.000 2.481 90 E HA 0.060 4.455 4.350 0.075 0.000 0.195 90 E C -0.491 176.074 176.600 -0.060 0.000 1.047 90 E CA 0.199 56.558 56.400 -0.067 0.000 0.867 90 E CB 0.469 30.137 29.700 -0.053 0.000 0.858 90 E HN 0.213 nan 8.360 nan 0.000 0.513 91 S N 0.435 116.087 115.700 -0.081 0.000 2.671 91 S HA 0.523 5.038 4.470 0.075 0.000 0.299 91 S C -2.674 171.891 174.600 -0.059 0.000 1.116 91 S CA -1.478 56.687 58.200 -0.059 0.000 0.912 91 S CB 1.546 64.710 63.200 -0.058 0.000 1.130 91 S HN -0.041 nan 8.310 nan 0.000 0.501 92 P HA 0.098 nan 4.420 nan 0.000 0.267 92 P C -0.811 176.462 177.300 -0.044 0.000 1.200 92 P CA -0.163 62.919 63.100 -0.029 0.000 0.772 92 P CB 0.289 31.983 31.700 -0.010 0.000 0.855 93 Q N 1.151 120.927 119.800 -0.039 0.000 2.327 93 Q HA 0.420 4.805 4.340 0.075 0.000 0.254 93 Q C 0.320 176.306 176.000 -0.024 0.000 0.952 93 Q CA -0.207 55.566 55.803 -0.051 0.000 0.884 93 Q CB 0.924 29.642 28.738 -0.033 0.000 1.224 93 Q HN 0.501 nan 8.270 nan 0.000 0.422 94 A N 1.931 124.711 122.820 -0.067 0.000 2.310 94 A HA 0.244 4.609 4.320 0.075 0.000 0.260 94 A C 0.709 178.272 177.584 -0.036 0.000 1.112 94 A CA -0.300 51.681 52.037 -0.093 0.000 0.804 94 A CB -0.123 18.741 19.000 -0.227 0.000 1.081 94 A HN 0.760 nan 8.150 nan 0.000 0.499 95 F N -0.815 119.181 119.950 0.076 0.000 2.408 95 F HA -0.078 4.482 4.527 0.056 0.000 0.300 95 F C 1.445 177.442 175.800 0.330 0.000 1.090 95 F CA 1.079 59.177 58.000 0.164 0.000 1.427 95 F CB -0.742 38.291 39.000 0.054 0.000 1.070 95 F HN 0.407 nan 8.300 nan 0.000 0.549 96 I N 1.036 121.619 120.570 0.022 0.000 2.423 96 I HA -0.126 4.089 4.170 0.075 0.000 0.254 96 I C 2.173 178.313 176.117 0.038 0.000 1.151 96 I CA 1.584 62.948 61.300 0.107 0.000 1.421 96 I CB -0.487 37.463 38.000 -0.084 0.000 1.079 96 I HN 0.338 nan 8.210 nan 0.000 0.431 97 G N 0.499 109.331 108.800 0.053 0.000 3.233 97 G HA2 0.288 4.293 3.960 0.075 0.000 0.234 97 G HA3 0.288 4.293 3.960 0.075 0.000 0.234 97 G C 0.395 175.349 174.900 0.091 0.000 1.137 97 G CA -0.354 44.747 45.100 0.000 0.000 0.763 97 G HN 0.188 nan 8.290 nan 0.000 0.549 98 L N 0.360 121.734 121.223 0.251 0.000 2.358 98 L HA 0.544 4.930 4.340 0.075 0.000 0.268 98 L C -0.669 176.383 176.870 0.305 0.000 1.032 98 L CA -1.096 53.900 54.840 0.261 0.000 0.805 98 L CB 1.659 43.894 42.059 0.293 0.000 1.253 98 L HN -0.068 nan 8.230 nan 0.000 0.452 99 D N 0.086 120.612 120.400 0.210 0.000 2.374 99 D HA 0.400 5.085 4.640 0.075 0.000 0.239 99 D C -2.500 173.888 176.300 0.145 0.000 0.991 99 D CA -1.461 52.638 54.000 0.164 0.000 0.960 99 D CB 1.539 42.412 40.800 0.121 0.000 1.284 99 D HN 0.126 nan 8.370 nan 0.000 0.512 100 P HA 0.031 nan 4.420 nan 0.000 0.266 100 P C -1.625 175.714 177.300 0.066 0.000 1.193 100 P CA -0.543 62.607 63.100 0.082 0.000 0.770 100 P CB 0.166 31.893 31.700 0.045 0.000 0.836 101 P HA 0.033 nan 4.420 nan 0.000 0.251 101 P C 0.658 177.983 177.300 0.041 0.000 1.223 101 P CA 0.807 63.930 63.100 0.039 0.000 0.796 101 P CB 0.460 32.172 31.700 0.019 0.000 1.068 102 E N -0.667 119.572 120.200 0.066 0.000 2.106 102 E HA -0.179 4.216 4.350 0.075 0.000 0.192 102 E C 2.149 178.791 176.600 0.070 0.000 0.984 102 E CA 0.760 57.196 56.400 0.060 0.000 0.806 102 E CB -1.031 28.715 29.700 0.077 0.000 0.750 102 E HN 0.434 nan 8.360 nan 0.000 0.458 103 H N 0.199 119.288 119.070 0.032 0.000 2.267 103 H HA -0.182 4.412 4.556 0.063 0.000 0.291 103 H C 2.065 177.334 175.328 -0.098 0.000 1.094 103 H CA 2.057 58.117 56.048 0.020 0.000 1.227 103 H CB -0.423 29.326 29.762 -0.021 0.000 1.351 103 H HN 0.288 nan 8.280 nan 0.000 0.483 104 G N -0.573 108.088 108.800 -0.231 0.000 2.418 104 G HA2 -0.312 3.693 3.960 0.075 0.000 0.217 104 G HA3 -0.312 3.693 3.960 0.075 0.000 0.217 104 G C 1.953 176.683 174.900 -0.283 0.000 1.158 104 G CA 1.895 46.808 45.100 -0.312 0.000 0.771 104 G HN 0.655 nan 8.290 nan 0.000 0.545 105 T N -1.099 113.354 114.554 -0.168 0.000 2.833 105 T HA -0.019 4.376 4.350 0.075 0.000 0.269 105 T C 2.352 176.954 174.700 -0.164 0.000 1.054 105 T CA 1.029 63.050 62.100 -0.131 0.000 1.135 105 T CB -0.101 68.727 68.868 -0.066 0.000 0.869 105 T HN 0.142 nan 8.240 nan 0.000 0.466 106 R N 0.971 121.353 120.500 -0.196 0.000 2.057 106 R HA 0.242 4.628 4.340 0.075 0.000 0.224 106 R C 2.724 178.729 176.300 -0.491 0.000 1.136 106 R CA 1.171 57.164 56.100 -0.178 0.000 0.968 106 R CB -0.843 29.474 30.300 0.028 0.000 0.863 106 R HN 0.461 nan 8.270 nan 0.000 0.433 107 R N 1.181 121.086 120.500 -0.992 0.000 2.103 107 R HA -0.090 4.295 4.340 0.075 0.000 0.242 107 R C 2.140 178.034 176.300 -0.677 0.000 1.142 107 R CA 1.587 56.816 56.100 -1.452 0.000 0.960 107 R CB -0.085 29.349 30.300 -1.445 0.000 0.858 107 R HN 0.092 nan 8.270 nan 0.000 0.439 108 R N -0.278 119.961 120.500 -0.434 0.000 2.241 108 R HA -0.056 4.329 4.340 0.075 0.000 0.224 108 R C 1.992 178.192 176.300 -0.168 0.000 1.101 108 R CA 1.295 57.246 56.100 -0.248 0.000 0.995 108 R CB -0.096 30.093 30.300 -0.186 0.000 0.870 108 R HN 0.357 nan 8.270 nan 0.000 0.463 109 M N -0.517 118.981 119.600 -0.169 0.000 2.630 109 M HA -0.058 4.467 4.480 0.075 0.000 0.254 109 M C 1.604 177.881 176.300 -0.038 0.000 1.092 109 M CA 1.320 56.570 55.300 -0.085 0.000 1.087 109 M CB 0.237 32.803 32.600 -0.056 0.000 1.453 109 M HN 0.162 nan 8.290 nan 0.000 0.509 110 T N -2.964 111.564 114.554 -0.043 0.000 2.958 110 T HA 0.155 4.550 4.350 0.075 0.000 0.256 110 T C 1.486 176.292 174.700 0.178 0.000 0.983 110 T CA -0.254 61.906 62.100 0.100 0.000 0.924 110 T CB -0.492 68.501 68.868 0.207 0.000 1.136 110 T HN 0.480 nan 8.240 nan 0.000 0.506 111 I N 1.993 122.594 120.570 0.051 0.000 2.423 111 I HA -0.104 4.111 4.170 0.075 0.000 0.254 111 I C 2.436 178.626 176.117 0.121 0.000 1.151 111 I CA 1.595 62.953 61.300 0.097 0.000 1.421 111 I CB -0.922 37.061 38.000 -0.029 0.000 1.079 111 I HN 0.337 nan 8.210 nan 0.000 0.431 112 S N 1.140 116.868 115.700 0.047 0.000 2.419 112 S HA -0.158 4.357 4.470 0.075 0.000 0.235 112 S C 1.716 176.297 174.600 -0.032 0.000 1.019 112 S CA 1.189 59.391 58.200 0.003 0.000 0.982 112 S CB -0.576 62.611 63.200 -0.022 0.000 0.789 112 S HN 0.591 nan 8.310 nan 0.000 0.490 113 E N 0.285 120.447 120.200 -0.063 0.000 2.418 113 E HA 0.078 4.473 4.350 0.075 0.000 0.197 113 E C 0.273 176.536 176.600 -0.561 0.000 1.026 113 E CA 0.578 56.775 56.400 -0.340 0.000 0.862 113 E CB -0.189 29.195 29.700 -0.526 0.000 0.799 113 E HN 0.773 nan 8.360 nan 0.000 0.518 114 F N 0.227 120.166 119.950 -0.018 0.000 2.729 114 F HA 0.057 4.632 4.527 0.080 0.000 0.315 114 F C 0.956 176.738 175.800 -0.030 0.000 1.102 114 F CA -0.437 57.550 58.000 -0.020 0.000 1.204 114 F CB 0.218 39.208 39.000 -0.017 0.000 1.052 114 F HN -0.242 nan 8.300 nan 0.000 0.551 115 T N -1.121 113.481 114.554 0.080 0.000 2.906 115 T HA 0.082 4.477 4.350 0.075 0.000 0.320 115 T C 1.722 176.436 174.700 0.025 0.000 1.088 115 T CA 0.057 62.180 62.100 0.039 0.000 1.120 115 T CB 1.276 70.149 68.868 0.008 0.000 1.000 115 T HN 0.160 nan 8.240 nan 0.000 0.550 116 V N 0.586 120.510 119.914 0.017 0.000 2.380 116 V HA -0.192 3.974 4.120 0.075 0.000 0.251 116 V C 2.555 178.651 176.094 0.004 0.000 1.063 116 V CA 2.037 64.344 62.300 0.011 0.000 1.055 116 V CB -1.260 30.567 31.823 0.006 0.000 0.657 116 V HN 1.015 nan 8.190 nan 0.000 0.455 117 K N -0.438 119.961 120.400 -0.002 0.000 2.057 117 K HA -0.131 4.234 4.320 0.075 0.000 0.206 117 K C 2.525 179.117 176.600 -0.014 0.000 1.050 117 K CA 1.117 57.400 56.287 -0.007 0.000 0.935 117 K CB -0.119 32.376 32.500 -0.009 0.000 0.715 117 K HN 0.336 nan 8.250 nan 0.000 0.439 118 R N 0.705 121.192 120.500 -0.023 0.000 2.066 118 R HA -0.067 4.318 4.340 0.075 0.000 0.232 118 R C 2.246 178.523 176.300 -0.039 0.000 1.131 118 R CA 0.891 56.965 56.100 -0.043 0.000 0.955 118 R CB -0.648 29.607 30.300 -0.075 0.000 0.851 118 R HN 0.276 nan 8.270 nan 0.000 0.432 119 I N 1.459 122.016 120.570 -0.023 0.000 2.151 119 I HA -0.296 3.919 4.170 0.075 0.000 0.243 119 I C 2.412 178.529 176.117 -0.002 0.000 1.080 119 I CA 1.328 62.623 61.300 -0.008 0.000 1.339 119 I CB -1.107 36.904 38.000 0.018 0.000 1.039 119 I HN 0.192 nan 8.210 nan 0.000 0.409 120 K N 0.897 121.298 120.400 0.001 0.000 2.063 120 K HA -0.173 4.193 4.320 0.075 0.000 0.208 120 K C 2.127 178.727 176.600 0.001 0.000 1.048 120 K CA 1.772 58.061 56.287 0.004 0.000 0.928 120 K CB -0.486 32.016 32.500 0.004 0.000 0.713 120 K HN 0.379 nan 8.250 nan 0.000 0.442 121 G N 0.629 109.425 108.800 -0.007 0.000 2.470 121 G HA2 -0.193 3.812 3.960 0.075 0.000 0.220 121 G HA3 -0.193 3.812 3.960 0.075 0.000 0.220 121 G C 1.260 176.154 174.900 -0.010 0.000 1.121 121 G CA 0.657 45.751 45.100 -0.010 0.000 0.766 121 G HN 0.292 nan 8.290 nan 0.000 0.553 122 M N -0.349 119.244 119.600 -0.012 0.000 2.556 122 M HA 0.198 4.724 4.480 0.075 0.000 0.245 122 M C 2.283 178.586 176.300 0.006 0.000 1.128 122 M CA 0.061 55.355 55.300 -0.010 0.000 1.069 122 M CB 0.062 32.649 32.600 -0.022 0.000 1.469 122 M HN 0.163 nan 8.290 nan 0.000 0.494 123 R N 1.661 122.168 120.500 0.012 0.000 2.096 123 R HA -0.155 4.231 4.340 0.075 0.000 0.240 123 R C -0.928 175.391 176.300 0.032 0.000 1.139 123 R CA 1.932 58.047 56.100 0.024 0.000 0.952 123 R CB -1.247 29.068 30.300 0.026 0.000 0.854 123 R HN 0.164 nan 8.270 nan 0.000 0.436 124 P HA -0.173 nan 4.420 nan 0.000 0.215 124 P C 0.746 178.067 177.300 0.034 0.000 1.153 124 P CA 1.447 64.565 63.100 0.030 0.000 0.853 124 P CB -0.110 31.601 31.700 0.018 0.000 0.788 125 E N -0.099 120.115 120.200 0.023 0.000 2.031 125 E HA -0.149 4.247 4.350 0.075 0.000 0.193 125 E C 1.789 178.408 176.600 0.031 0.000 0.994 125 E CA 1.411 57.823 56.400 0.021 0.000 0.800 125 E CB -0.534 29.171 29.700 0.008 0.000 0.752 125 E HN -0.080 nan 8.360 nan 0.000 0.447 126 V N 1.560 121.492 119.914 0.029 0.000 2.343 126 V HA -0.259 3.907 4.120 0.075 0.000 0.247 126 V C 2.208 178.335 176.094 0.055 0.000 1.051 126 V CA 2.300 64.619 62.300 0.032 0.000 1.036 126 V CB -0.634 31.203 31.823 0.024 0.000 0.654 126 V HN 0.321 nan 8.190 nan 0.000 0.451 127 E N -0.164 120.083 120.200 0.079 0.000 2.077 127 E HA -0.277 4.118 4.350 0.075 0.000 0.193 127 E C 2.278 178.999 176.600 0.202 0.000 0.989 127 E CA 1.406 57.896 56.400 0.149 0.000 0.800 127 E CB -0.150 29.647 29.700 0.161 0.000 0.746 127 E HN 0.707 nan 8.360 nan 0.000 0.452 128 E N 0.744 121.019 120.200 0.124 0.000 2.051 128 E HA -0.186 4.209 4.350 0.075 0.000 0.192 128 E C 2.161 178.819 176.600 0.097 0.000 0.991 128 E CA 1.208 57.669 56.400 0.102 0.000 0.799 128 E CB 0.170 29.898 29.700 0.046 0.000 0.748 128 E HN 0.046 nan 8.360 nan 0.000 0.449 129 V N 0.540 120.503 119.914 0.083 0.000 2.295 129 V HA -0.240 3.925 4.120 0.075 0.000 0.246 129 V C 2.471 178.691 176.094 0.210 0.000 1.049 129 V CA 1.422 63.793 62.300 0.117 0.000 1.024 129 V CB -0.325 31.561 31.823 0.105 0.000 0.648 129 V HN 0.202 nan 8.190 nan 0.000 0.447 130 V N -0.295 119.700 119.914 0.134 0.000 2.255 130 V HA -0.307 3.858 4.120 0.075 0.000 0.247 130 V C 2.439 178.620 176.094 0.146 0.000 1.051 130 V CA 2.275 64.654 62.300 0.133 0.000 1.018 130 V CB -0.898 30.919 31.823 -0.010 0.000 0.641 130 V HN 0.617 nan 8.190 nan 0.000 0.445 131 H N 0.061 119.225 119.070 0.157 0.000 2.389 131 H HA -0.065 4.537 4.556 0.076 0.000 0.299 131 H C 2.396 177.759 175.328 0.059 0.000 1.081 131 H CA 1.539 57.642 56.048 0.091 0.000 1.345 131 H CB -0.651 29.137 29.762 0.044 0.000 1.393 131 H HN 0.499 nan 8.280 nan 0.000 0.520 132 G N 0.372 109.248 108.800 0.128 0.000 2.446 132 G HA2 -0.248 3.757 3.960 0.075 0.000 0.217 132 G HA3 -0.248 3.757 3.960 0.075 0.000 0.217 132 G C 1.415 176.262 174.900 -0.089 0.000 1.168 132 G CA 0.613 45.689 45.100 -0.040 0.000 0.771 132 G HN 0.247 nan 8.290 nan 0.000 0.551 133 F N 0.449 120.455 119.950 0.093 0.000 2.259 133 F HA 0.190 4.763 4.527 0.076 0.000 0.298 133 F C 2.596 178.468 175.800 0.120 0.000 1.088 133 F CA 0.430 58.509 58.000 0.132 0.000 1.358 133 F CB -0.194 38.917 39.000 0.185 0.000 1.040 133 F HN 0.017 nan 8.300 nan 0.000 0.505 134 L N -0.366 120.998 121.223 0.235 0.000 2.017 134 L HA -0.246 4.139 4.340 0.075 0.000 0.208 134 L C 2.137 178.993 176.870 -0.023 0.000 1.073 134 L CA 1.345 56.167 54.840 -0.030 0.000 0.745 134 L CB -0.666 41.321 42.059 -0.120 0.000 0.894 134 L HN 0.042 nan 8.230 nan 0.000 0.432 135 D N -0.159 120.260 120.400 0.030 0.000 2.133 135 D HA -0.276 4.409 4.640 0.075 0.000 0.192 135 D C 2.002 178.316 176.300 0.024 0.000 1.001 135 D CA 1.571 55.584 54.000 0.022 0.000 0.844 135 D CB -0.067 40.745 40.800 0.019 0.000 0.944 135 D HN 0.384 nan 8.370 nan 0.000 0.447 136 E N -0.366 119.850 120.200 0.028 0.000 2.072 136 E HA -0.141 4.254 4.350 0.075 0.000 0.191 136 E C 2.116 178.766 176.600 0.084 0.000 0.985 136 E CA 0.576 57.005 56.400 0.049 0.000 0.801 136 E CB -0.071 29.652 29.700 0.038 0.000 0.750 136 E HN 0.198 nan 8.360 nan 0.000 0.452 137 M N 0.302 119.948 119.600 0.077 0.000 2.099 137 M HA -0.125 4.401 4.480 0.075 0.000 0.262 137 M C 1.995 178.350 176.300 0.091 0.000 1.067 137 M CA 1.325 56.670 55.300 0.076 0.000 1.124 137 M CB 0.057 32.650 32.600 -0.013 0.000 1.353 137 M HN 0.198 nan 8.290 nan 0.000 0.410 138 L N -0.172 121.034 121.223 -0.029 0.000 2.156 138 L HA -0.075 4.310 4.340 0.075 0.000 0.208 138 L C 2.652 179.661 176.870 0.232 0.000 1.095 138 L CA 0.851 55.717 54.840 0.044 0.000 0.770 138 L CB -0.879 41.096 42.059 -0.141 0.000 0.914 138 L HN 0.368 nan 8.230 nan 0.000 0.439 139 A N 0.102 123.013 122.820 0.152 0.000 2.014 139 A HA -0.021 4.344 4.320 0.075 0.000 0.218 139 A C 2.488 180.176 177.584 0.173 0.000 1.163 139 A CA 1.350 53.487 52.037 0.168 0.000 0.652 139 A CB -0.412 18.650 19.000 0.103 0.000 0.808 139 A HN 0.363 nan 8.150 nan 0.000 0.449 140 A N -1.032 121.872 122.820 0.141 0.000 2.014 140 A HA 0.421 4.786 4.320 0.075 0.000 0.218 140 A C 1.590 179.167 177.584 -0.010 0.000 1.163 140 A CA 1.399 53.492 52.037 0.093 0.000 0.652 140 A CB -1.096 17.963 19.000 0.099 0.000 0.808 140 A HN 2.124 nan 8.150 nan 0.000 0.449 141 G N -1.152 107.649 108.800 0.002 0.000 2.758 141 G HA2 -0.043 3.962 3.960 0.075 0.000 0.686 141 G HA3 -0.043 3.962 3.960 0.075 0.000 0.686 141 G C -2.716 171.853 174.900 -0.551 0.000 1.389 141 G CA -0.436 44.324 45.100 -0.568 0.000 0.845 141 G HN 0.379 nan 8.290 nan 0.000 0.572 142 P HA 0.339 nan 4.420 nan 0.000 0.269 142 P C 0.229 177.154 177.300 -0.625 0.000 1.217 142 P CA 1.355 63.579 63.100 -1.460 0.000 0.783 142 P CB 0.115 30.936 31.700 -1.465 0.000 0.898 143 T N -1.470 112.813 114.554 -0.451 0.000 3.245 143 T HA 0.095 4.490 4.350 0.075 0.000 0.434 143 T C -0.194 174.469 174.700 -0.061 0.000 0.770 143 T CA 0.896 62.892 62.100 -0.172 0.000 2.278 143 T CB -1.848 66.939 68.868 -0.135 0.000 1.692 143 T HN 0.858 nan 8.240 nan 0.000 0.677 144 A N 1.505 124.364 122.820 0.065 0.000 2.423 144 A HA 0.768 5.133 4.320 0.075 0.000 0.304 144 A C -0.412 177.253 177.584 0.135 0.000 1.104 144 A CA -0.802 51.326 52.037 0.151 0.000 0.757 144 A CB 1.433 20.620 19.000 0.313 0.000 1.313 144 A HN 0.558 nan 8.150 nan 0.000 0.423 145 D N 1.274 121.741 120.400 0.112 0.000 2.347 145 D HA 0.276 4.961 4.640 0.075 0.000 0.235 145 D C 0.734 177.105 176.300 0.119 0.000 1.149 145 D CA -0.397 53.661 54.000 0.097 0.000 0.850 145 D CB 0.817 41.660 40.800 0.071 0.000 1.061 145 D HN 0.271 nan 8.370 nan 0.000 0.487 146 L N 4.508 125.807 121.223 0.127 0.000 2.131 146 L HA -0.124 4.261 4.340 0.075 0.000 0.210 146 L C 1.780 178.740 176.870 0.150 0.000 1.092 146 L CA 1.308 56.241 54.840 0.155 0.000 0.759 146 L CB -0.086 42.061 42.059 0.147 0.000 0.903 146 L HN 0.449 nan 8.230 nan 0.000 0.435 147 V N -0.779 119.192 119.914 0.095 0.000 2.216 147 V HA -0.288 3.877 4.120 0.075 0.000 0.243 147 V C 2.585 178.705 176.094 0.042 0.000 1.044 147 V CA 1.962 64.296 62.300 0.056 0.000 0.995 147 V CB -1.196 30.649 31.823 0.037 0.000 0.633 147 V HN 0.705 nan 8.190 nan 0.000 0.446 148 S N -0.122 115.608 115.700 0.049 0.000 2.419 148 S HA -0.246 4.269 4.470 0.075 0.000 0.233 148 S C 1.748 176.378 174.600 0.051 0.000 1.016 148 S CA 1.522 59.746 58.200 0.041 0.000 0.974 148 S CB -0.424 62.806 63.200 0.050 0.000 0.786 148 S HN 0.729 nan 8.310 nan 0.000 0.492 149 Q N -1.373 118.486 119.800 0.099 0.000 2.356 149 Q HA 0.374 4.759 4.340 0.075 0.000 0.205 149 Q C 0.917 177.038 176.000 0.202 0.000 0.901 149 Q CA 0.345 56.239 55.803 0.152 0.000 0.938 149 Q CB 0.288 29.130 28.738 0.173 0.000 1.081 149 Q HN 0.677 nan 8.270 nan 0.000 0.517 150 F N -1.287 118.613 119.950 -0.083 0.000 1.827 150 F HA 0.321 4.894 4.527 0.077 0.000 0.264 150 F C 1.458 177.159 175.800 -0.164 0.000 1.109 150 F CA 0.663 58.588 58.000 -0.125 0.000 1.264 150 F CB -0.466 38.506 39.000 -0.047 0.000 1.648 150 F HN -0.144 nan 8.300 nan 0.000 0.513 151 A N 0.796 123.534 122.820 -0.137 0.000 1.902 151 A HA -0.062 4.303 4.320 0.075 0.000 0.217 151 A C 1.906 179.355 177.584 -0.226 0.000 1.181 151 A CA 2.087 53.985 52.037 -0.232 0.000 0.623 151 A CB -0.968 18.012 19.000 -0.033 0.000 0.818 151 A HN 0.450 nan 8.150 nan 0.000 0.443 152 L N 0.256 121.391 121.223 -0.147 0.000 2.084 152 L HA 0.057 4.442 4.340 0.075 0.000 0.202 152 L C -0.758 176.008 176.870 -0.174 0.000 1.074 152 L CA 1.749 56.541 54.840 -0.081 0.000 0.757 152 L CB -0.895 41.166 42.059 0.004 0.000 0.918 152 L HN 0.172 nan 8.230 nan 0.000 0.444 153 P HA -0.138 nan 4.420 nan 0.000 0.216 153 P C 1.991 178.861 177.300 -0.718 0.000 1.150 153 P CA 1.433 64.171 63.100 -0.603 0.000 0.837 153 P CB 0.005 31.003 31.700 -1.171 0.000 0.786 154 V N 2.449 121.911 119.914 -0.754 0.000 2.233 154 V HA -0.141 4.024 4.120 0.075 0.000 0.247 154 V C -0.025 175.938 176.094 -0.218 0.000 1.050 154 V CA 3.171 65.186 62.300 -0.475 0.000 1.010 154 V CB -2.512 28.985 31.823 -0.543 0.000 0.637 154 V HN 0.214 nan 8.190 nan 0.000 0.444 155 P HA -0.060 nan 4.420 nan 0.000 0.225 155 P C 1.924 179.260 177.300 0.060 0.000 1.156 155 P CA 1.485 64.569 63.100 -0.027 0.000 0.787 155 P CB 0.070 31.771 31.700 0.001 0.000 0.802 156 S N -0.327 115.413 115.700 0.068 0.000 2.353 156 S HA -0.176 4.339 4.470 0.075 0.000 0.222 156 S C 2.046 176.768 174.600 0.202 0.000 1.035 156 S CA 1.371 59.654 58.200 0.139 0.000 1.025 156 S CB -0.922 62.352 63.200 0.123 0.000 0.902 156 S HN 0.008 nan 8.310 nan 0.000 0.440 157 M N 0.713 120.355 119.600 0.070 0.000 2.108 157 M HA -0.105 4.421 4.480 0.075 0.000 0.261 157 M C 1.884 178.194 176.300 0.016 0.000 1.066 157 M CA 1.682 56.935 55.300 -0.078 0.000 1.107 157 M CB -0.272 32.144 32.600 -0.307 0.000 1.356 157 M HN 0.287 nan 8.290 nan 0.000 0.406 158 V N 0.254 120.177 119.914 0.015 0.000 2.261 158 V HA -0.272 3.893 4.120 0.075 0.000 0.246 158 V C 2.246 178.366 176.094 0.043 0.000 1.047 158 V CA 1.920 64.233 62.300 0.022 0.000 1.015 158 V CB -0.683 31.148 31.823 0.013 0.000 0.642 158 V HN 0.540 nan 8.190 nan 0.000 0.446 159 I N -0.665 119.948 120.570 0.072 0.000 2.394 159 I HA -0.184 4.031 4.170 0.075 0.000 0.251 159 I C 2.352 178.511 176.117 0.070 0.000 1.136 159 I CA 1.249 62.598 61.300 0.081 0.000 1.425 159 I CB -0.400 37.674 38.000 0.123 0.000 1.079 159 I HN 0.319 nan 8.210 nan 0.000 0.425 160 C N 0.477 119.837 119.300 0.100 0.000 2.413 160 C HA -0.146 4.359 4.460 0.075 0.000 0.276 160 C C 2.816 177.875 174.990 0.115 0.000 1.236 160 C CA 0.719 59.812 59.018 0.124 0.000 1.735 160 C CB -1.229 26.683 27.740 0.286 0.000 2.031 160 C HN 0.435 nan 8.230 nan 0.000 0.474 161 R N 0.279 120.836 120.500 0.094 0.000 2.092 161 R HA -0.019 4.366 4.340 0.075 0.000 0.231 161 R C 2.117 178.436 176.300 0.032 0.000 1.119 161 R CA 0.910 57.051 56.100 0.068 0.000 0.970 161 R CB -1.132 29.194 30.300 0.044 0.000 0.864 161 R HN 0.597 nan 8.270 nan 0.000 0.440 162 L N 0.646 121.870 121.223 0.003 0.000 2.046 162 L HA -0.115 4.270 4.340 0.075 0.000 0.208 162 L C 2.003 178.856 176.870 -0.028 0.000 1.077 162 L CA 1.340 56.147 54.840 -0.056 0.000 0.747 162 L CB -0.082 41.911 42.059 -0.111 0.000 0.896 162 L HN 0.102 nan 8.230 nan 0.000 0.432 163 L N -0.800 120.435 121.223 0.020 0.000 2.307 163 L HA 0.178 4.563 4.340 0.075 0.000 0.211 163 L C 1.485 178.400 176.870 0.075 0.000 1.099 163 L CA 0.609 55.472 54.840 0.039 0.000 0.816 163 L CB -0.436 41.654 42.059 0.053 0.000 0.952 163 L HN 0.510 nan 8.230 nan 0.000 0.455 164 G N 0.697 109.570 108.800 0.122 0.000 2.160 164 G HA2 -0.226 3.779 3.960 0.075 0.000 0.244 164 G HA3 -0.226 3.779 3.960 0.075 0.000 0.244 164 G C 0.019 175.085 174.900 0.278 0.000 1.022 164 G CA -0.001 45.243 45.100 0.241 0.000 0.741 164 G HN 0.097 nan 8.290 nan 0.000 0.508 165 V N 1.476 121.499 119.914 0.182 0.000 2.432 165 V HA 0.417 4.583 4.120 0.075 0.000 0.275 165 V C -1.488 174.750 176.094 0.240 0.000 1.043 165 V CA -1.548 60.856 62.300 0.174 0.000 0.925 165 V CB 1.534 33.379 31.823 0.037 0.000 0.985 165 V HN 0.156 nan 8.190 nan 0.000 0.466 166 P HA 0.030 nan 4.420 nan 0.000 0.267 166 P C 0.035 177.599 177.300 0.441 0.000 1.209 166 P CA 0.091 63.374 63.100 0.306 0.000 0.763 166 P CB 0.267 32.108 31.700 0.236 0.000 0.816 167 Y N 4.575 125.059 120.300 0.306 0.000 2.421 167 Y HA -0.134 4.461 4.550 0.075 0.000 0.292 167 Y C 2.189 178.295 175.900 0.344 0.000 1.136 167 Y CA 1.560 59.882 58.100 0.369 0.000 1.255 167 Y CB -0.659 37.964 38.460 0.271 0.000 0.991 167 Y HN 0.444 nan 8.280 nan 0.000 0.552 168 A N -0.046 122.880 122.820 0.177 0.000 1.958 168 A HA -0.225 4.141 4.320 0.075 0.000 0.221 168 A C 1.610 179.077 177.584 -0.195 0.000 1.178 168 A CA 2.122 54.169 52.037 0.017 0.000 0.642 168 A CB -0.637 18.399 19.000 0.061 0.000 0.816 168 A HN 0.508 nan 8.150 nan 0.000 0.453 169 D N -0.997 119.344 120.400 -0.099 0.000 2.319 169 D HA -0.009 4.676 4.640 0.075 0.000 0.230 169 D C 1.445 177.249 176.300 -0.828 0.000 1.094 169 D CA 0.541 54.400 54.000 -0.234 0.000 0.856 169 D CB -0.493 40.356 40.800 0.082 0.000 0.915 169 D HN 0.853 nan 8.370 nan 0.000 0.517 170 H N 0.475 118.913 119.070 -1.054 0.000 2.352 170 H HA -0.062 4.539 4.556 0.075 0.000 0.299 170 H C 1.226 175.890 175.328 -1.106 0.000 1.097 170 H CA 0.965 56.016 56.048 -1.662 0.000 1.311 170 H CB -0.110 28.905 29.762 -1.246 0.000 1.377 170 H HN 0.177 nan 8.280 nan 0.000 0.504 171 E N 0.397 120.074 120.200 -0.872 0.000 2.085 171 E HA -0.165 4.230 4.350 0.075 0.000 0.194 171 E C 2.102 178.495 176.600 -0.345 0.000 0.994 171 E CA 1.371 57.505 56.400 -0.444 0.000 0.801 171 E CB -0.270 29.203 29.700 -0.379 0.000 0.743 171 E HN 0.448 nan 8.360 nan 0.000 0.453 172 F N 1.576 121.226 119.950 -0.500 0.000 2.084 172 F HA -0.217 4.354 4.527 0.075 0.000 0.296 172 F C 2.060 177.687 175.800 -0.289 0.000 1.111 172 F CA 1.569 59.359 58.000 -0.351 0.000 1.224 172 F CB -0.410 38.383 39.000 -0.344 0.000 0.991 172 F HN 0.033 nan 8.300 nan 0.000 0.471 173 F N 0.453 120.151 119.950 -0.420 0.000 2.367 173 F HA 0.098 4.671 4.527 0.077 0.000 0.298 173 F C 2.084 177.696 175.800 -0.312 0.000 1.094 173 F CA 0.783 58.479 58.000 -0.507 0.000 1.409 173 F CB -1.681 37.157 39.000 -0.270 0.000 1.064 173 F HN 0.087 nan 8.300 nan 0.000 0.528 174 Q N 0.686 120.361 119.800 -0.210 0.000 2.079 174 Q HA -0.196 4.189 4.340 0.075 0.000 0.200 174 Q C 1.769 177.742 176.000 -0.044 0.000 0.974 174 Q CA 1.893 57.672 55.803 -0.039 0.000 0.840 174 Q CB -0.403 28.267 28.738 -0.114 0.000 0.898 174 Q HN 0.592 nan 8.270 nan 0.000 0.430 175 D N 0.002 120.301 120.400 -0.169 0.000 2.117 175 D HA -0.145 4.540 4.640 0.075 0.000 0.197 175 D C 1.759 177.955 176.300 -0.173 0.000 0.987 175 D CA 1.387 55.297 54.000 -0.151 0.000 0.829 175 D CB -0.015 40.685 40.800 -0.167 0.000 0.961 175 D HN 0.243 nan 8.370 nan 0.000 0.460 176 A N -0.230 122.401 122.820 -0.316 0.000 1.933 176 A HA -0.143 4.223 4.320 0.075 0.000 0.218 176 A C 2.308 179.821 177.584 -0.119 0.000 1.175 176 A CA 1.978 53.843 52.037 -0.286 0.000 0.628 176 A CB -1.046 17.639 19.000 -0.526 0.000 0.814 176 A HN 0.293 nan 8.150 nan 0.000 0.444 177 S N -0.380 115.299 115.700 -0.036 0.000 2.348 177 S HA -0.231 4.284 4.470 0.075 0.000 0.221 177 S C 2.150 176.759 174.600 0.014 0.000 1.033 177 S CA 2.017 60.252 58.200 0.060 0.000 1.010 177 S CB -0.332 63.033 63.200 0.276 0.000 0.891 177 S HN 0.632 nan 8.310 nan 0.000 0.442 178 K N 0.373 120.781 120.400 0.014 0.000 2.032 178 K HA -0.105 4.260 4.320 0.075 0.000 0.209 178 K C 2.433 179.016 176.600 -0.027 0.000 1.048 178 K CA 1.345 57.626 56.287 -0.010 0.000 0.927 178 K CB -0.194 32.303 32.500 -0.006 0.000 0.712 178 K HN 0.305 nan 8.250 nan 0.000 0.441 179 R N 0.280 120.756 120.500 -0.039 0.000 2.081 179 R HA -0.144 4.241 4.340 0.075 0.000 0.235 179 R C 2.422 178.702 176.300 -0.034 0.000 1.131 179 R CA 1.349 57.425 56.100 -0.039 0.000 0.960 179 R CB -0.510 29.761 30.300 -0.050 0.000 0.856 179 R HN 0.208 nan 8.270 nan 0.000 0.436 180 L N 0.694 121.896 121.223 -0.035 0.000 1.994 180 L HA -0.140 4.245 4.340 0.075 0.000 0.208 180 L C 2.042 178.899 176.870 -0.022 0.000 1.071 180 L CA 1.723 56.546 54.840 -0.029 0.000 0.745 180 L CB -0.445 41.597 42.059 -0.028 0.000 0.892 180 L HN -0.086 nan 8.230 nan 0.000 0.431 181 V N -0.693 119.208 119.914 -0.022 0.000 2.667 181 V HA -0.183 3.982 4.120 0.075 0.000 0.252 181 V C 2.185 178.269 176.094 -0.017 0.000 1.065 181 V CA 1.667 63.957 62.300 -0.017 0.000 1.083 181 V CB -0.448 31.357 31.823 -0.031 0.000 0.692 181 V HN 0.589 nan 8.190 nan 0.000 0.468 182 Q N -0.298 119.487 119.800 -0.024 0.000 2.281 182 Q HA 0.161 4.546 4.340 0.075 0.000 0.215 182 Q C 0.852 176.834 176.000 -0.030 0.000 0.867 182 Q CA 0.001 55.787 55.803 -0.028 0.000 0.940 182 Q CB 0.553 29.273 28.738 -0.030 0.000 1.111 182 Q HN 0.700 nan 8.270 nan 0.000 0.513 183 S N 0.816 116.500 115.700 -0.027 0.000 2.558 183 S HA -0.038 4.477 4.470 0.075 0.000 0.293 183 S C 1.154 175.732 174.600 -0.037 0.000 1.292 183 S CA 0.414 58.597 58.200 -0.029 0.000 1.063 183 S CB 0.832 64.018 63.200 -0.025 0.000 0.831 183 S HN 0.344 nan 8.310 nan 0.000 0.499 184 T N -2.398 112.132 114.554 -0.039 0.000 3.044 184 T HA 0.147 4.542 4.350 0.075 0.000 0.250 184 T C 0.208 174.874 174.700 -0.057 0.000 1.081 184 T CA 0.248 62.316 62.100 -0.053 0.000 1.040 184 T CB -0.408 68.434 68.868 -0.043 0.000 0.962 184 T HN 0.865 nan 8.240 nan 0.000 0.506 185 D N -0.273 120.104 120.400 -0.038 0.000 2.523 185 D HA 0.550 5.235 4.640 0.075 0.000 0.236 185 D C 0.959 177.249 176.300 -0.015 0.000 1.094 185 D CA -0.621 53.364 54.000 -0.025 0.000 0.942 185 D CB 1.913 42.707 40.800 -0.010 0.000 1.447 185 D HN 0.011 nan 8.370 nan 0.000 0.479 186 A N 0.416 123.236 122.820 -0.001 0.000 1.929 186 A HA -0.186 4.179 4.320 0.075 0.000 0.216 186 A C 2.075 179.660 177.584 0.002 0.000 1.176 186 A CA 1.578 53.619 52.037 0.006 0.000 0.628 186 A CB -0.644 18.372 19.000 0.027 0.000 0.816 186 A HN 0.689 nan 8.150 nan 0.000 0.444 187 Q N -0.753 119.049 119.800 0.005 0.000 2.123 187 Q HA -0.101 4.284 4.340 0.075 0.000 0.199 187 Q C 2.241 178.240 176.000 -0.001 0.000 0.966 187 Q CA 1.400 57.206 55.803 0.004 0.000 0.845 187 Q CB -0.135 28.607 28.738 0.007 0.000 0.907 187 Q HN 0.585 nan 8.270 nan 0.000 0.439 188 S N -0.486 115.210 115.700 -0.005 0.000 2.382 188 S HA -0.122 4.393 4.470 0.075 0.000 0.228 188 S C 1.805 176.397 174.600 -0.014 0.000 1.027 188 S CA 1.079 59.273 58.200 -0.010 0.000 0.991 188 S CB -0.195 62.998 63.200 -0.013 0.000 0.823 188 S HN 0.536 nan 8.310 nan 0.000 0.469 189 A N 1.341 124.152 122.820 -0.016 0.000 1.854 189 A HA 0.099 4.464 4.320 0.075 0.000 0.214 189 A C 2.144 179.715 177.584 -0.022 0.000 1.192 189 A CA 1.235 53.259 52.037 -0.022 0.000 0.611 189 A CB -0.852 18.134 19.000 -0.023 0.000 0.832 189 A HN 0.533 nan 8.150 nan 0.000 0.442 190 L N -0.401 120.812 121.223 -0.017 0.000 2.013 190 L HA -0.219 4.166 4.340 0.075 0.000 0.212 190 L C 2.843 179.711 176.870 -0.002 0.000 1.073 190 L CA 1.909 56.742 54.840 -0.013 0.000 0.753 190 L CB -1.087 40.967 42.059 -0.007 0.000 0.890 190 L HN 0.378 nan 8.230 nan 0.000 0.432 191 T N -0.092 114.464 114.554 0.002 0.000 2.622 191 T HA -0.257 4.138 4.350 0.075 0.000 0.266 191 T C 1.999 176.707 174.700 0.013 0.000 1.047 191 T CA 1.582 63.689 62.100 0.011 0.000 1.159 191 T CB -0.416 68.458 68.868 0.010 0.000 0.863 191 T HN 0.474 nan 8.240 nan 0.000 0.422 192 A N 1.694 124.510 122.820 -0.006 0.000 1.902 192 A HA -0.119 4.246 4.320 0.075 0.000 0.217 192 A C 2.358 179.935 177.584 -0.010 0.000 1.181 192 A CA 1.408 53.431 52.037 -0.024 0.000 0.623 192 A CB -0.562 18.414 19.000 -0.040 0.000 0.818 192 A HN 0.249 nan 8.150 nan 0.000 0.443 193 R N 0.341 120.837 120.500 -0.007 0.000 2.073 193 R HA -0.136 4.249 4.340 0.075 0.000 0.234 193 R C 1.853 178.172 176.300 0.032 0.000 1.134 193 R CA 1.986 58.086 56.100 0.001 0.000 0.952 193 R CB -0.809 29.477 30.300 -0.023 0.000 0.850 193 R HN 0.762 nan 8.270 nan 0.000 0.433 194 N N 0.189 118.910 118.700 0.035 0.000 2.104 194 N HA -0.160 4.625 4.740 0.075 0.000 0.190 194 N C 1.226 176.799 175.510 0.105 0.000 1.024 194 N CA 1.315 54.399 53.050 0.057 0.000 0.853 194 N CB -0.124 38.389 38.487 0.044 0.000 1.008 194 N HN 0.237 nan 8.380 nan 0.000 0.424 195 D N 1.330 121.802 120.400 0.120 0.000 2.092 195 D HA -0.127 4.558 4.640 0.075 0.000 0.193 195 D C 2.126 178.638 176.300 0.353 0.000 0.994 195 D CA 0.788 54.926 54.000 0.230 0.000 0.828 195 D CB -0.461 40.441 40.800 0.170 0.000 0.963 195 D HN 0.220 nan 8.370 nan 0.000 0.450 196 L N 0.644 121.992 121.223 0.208 0.000 2.046 196 L HA -0.181 4.204 4.340 0.075 0.000 0.208 196 L C 2.539 179.576 176.870 0.280 0.000 1.077 196 L CA 1.111 56.106 54.840 0.258 0.000 0.747 196 L CB -0.387 41.742 42.059 0.116 0.000 0.896 196 L HN -0.014 nan 8.230 nan 0.000 0.432 197 A N 0.245 123.168 122.820 0.172 0.000 1.883 197 A HA -0.187 4.178 4.320 0.075 0.000 0.217 197 A C 2.381 180.046 177.584 0.135 0.000 1.186 197 A CA 1.949 54.061 52.037 0.125 0.000 0.624 197 A CB -1.367 17.677 19.000 0.074 0.000 0.822 197 A HN 0.457 nan 8.150 nan 0.000 0.444 198 G N -1.972 106.922 108.800 0.155 0.000 2.422 198 G HA2 -0.255 3.750 3.960 0.075 0.000 0.218 198 G HA3 -0.255 3.750 3.960 0.075 0.000 0.218 198 G C 1.540 176.518 174.900 0.130 0.000 1.146 198 G CA 1.305 46.477 45.100 0.121 0.000 0.769 198 G HN 0.617 nan 8.290 nan 0.000 0.547 199 Y N 1.178 121.543 120.300 0.109 0.000 2.114 199 Y HA -0.019 4.575 4.550 0.074 0.000 0.284 199 Y C 2.536 178.487 175.900 0.086 0.000 1.143 199 Y CA 1.425 59.577 58.100 0.085 0.000 1.135 199 Y CB -0.350 38.267 38.460 0.262 0.000 0.980 199 Y HN 0.102 nan 8.280 nan 0.000 0.499 200 L N -0.026 121.220 121.223 0.039 0.000 2.083 200 L HA -0.185 4.201 4.340 0.075 0.000 0.209 200 L C 2.207 179.040 176.870 -0.062 0.000 1.083 200 L CA 1.612 56.419 54.840 -0.056 0.000 0.752 200 L CB -0.684 41.426 42.059 0.084 0.000 0.899 200 L HN 0.231 nan 8.230 nan 0.000 0.433 201 D N 0.342 120.733 120.400 -0.015 0.000 2.092 201 D HA -0.169 4.516 4.640 0.075 0.000 0.193 201 D C 2.172 178.445 176.300 -0.045 0.000 0.994 201 D CA 1.589 55.582 54.000 -0.011 0.000 0.828 201 D CB -0.193 40.614 40.800 0.010 0.000 0.963 201 D HN 0.205 nan 8.370 nan 0.000 0.450 202 G N 0.246 108.994 108.800 -0.086 0.000 2.442 202 G HA2 -0.218 3.788 3.960 0.075 0.000 0.219 202 G HA3 -0.218 3.788 3.960 0.075 0.000 0.219 202 G C 1.800 176.604 174.900 -0.159 0.000 1.141 202 G CA 0.586 45.615 45.100 -0.117 0.000 0.763 202 G HN 0.343 nan 8.290 nan 0.000 0.554 203 L N -0.123 120.961 121.223 -0.232 0.000 2.056 203 L HA -0.004 4.381 4.340 0.075 0.000 0.207 203 L C 2.867 179.740 176.870 0.006 0.000 1.078 203 L CA 0.653 55.367 54.840 -0.209 0.000 0.749 203 L CB -0.329 41.595 42.059 -0.225 0.000 0.901 203 L HN 0.228 nan 8.230 nan 0.000 0.433 204 I N -0.508 120.103 120.570 0.069 0.000 2.127 204 I HA -0.305 3.910 4.170 0.075 0.000 0.241 204 I C 2.507 178.688 176.117 0.107 0.000 1.075 204 I CA 1.664 63.052 61.300 0.147 0.000 1.334 204 I CB -0.531 37.511 38.000 0.071 0.000 1.040 204 I HN 0.234 nan 8.210 nan 0.000 0.405 205 T N -0.214 114.357 114.554 0.028 0.000 2.720 205 T HA -0.277 4.119 4.350 0.075 0.000 0.268 205 T C 1.881 176.579 174.700 -0.003 0.000 1.037 205 T CA 1.399 63.505 62.100 0.010 0.000 1.144 205 T CB -0.282 68.577 68.868 -0.015 0.000 0.864 205 T HN 0.370 nan 8.240 nan 0.000 0.444 206 Q N -0.488 119.276 119.800 -0.059 0.000 2.096 206 Q HA -0.112 4.273 4.340 0.075 0.000 0.204 206 Q C 1.914 177.857 176.000 -0.095 0.000 0.982 206 Q CA 1.555 57.282 55.803 -0.127 0.000 0.850 206 Q CB -0.225 28.361 28.738 -0.252 0.000 0.901 206 Q HN 0.496 nan 8.270 nan 0.000 0.422 207 F N 0.478 120.407 119.950 -0.034 0.000 2.325 207 F HA -0.126 4.446 4.527 0.076 0.000 0.299 207 F C 2.230 178.019 175.800 -0.018 0.000 1.090 207 F CA 0.999 58.984 58.000 -0.024 0.000 1.392 207 F CB -0.042 38.943 39.000 -0.024 0.000 1.053 207 F HN 0.114 nan 8.300 nan 0.000 0.521 208 Q N -0.850 119.045 119.800 0.157 0.000 2.167 208 Q HA -0.120 4.265 4.340 0.075 0.000 0.202 208 Q C 2.001 178.034 176.000 0.054 0.000 0.970 208 Q CA 1.837 57.691 55.803 0.085 0.000 0.855 208 Q CB -0.308 28.462 28.738 0.054 0.000 0.911 208 Q HN 0.329 nan 8.270 nan 0.000 0.438 209 T N 0.065 114.642 114.554 0.038 0.000 2.852 209 T HA -0.058 4.337 4.350 0.075 0.000 0.256 209 T C 0.409 175.122 174.700 0.022 0.000 1.038 209 T CA 0.880 62.990 62.100 0.017 0.000 1.141 209 T CB 0.130 68.995 68.868 -0.005 0.000 0.869 209 T HN 0.025 nan 8.240 nan 0.000 0.439 210 E N 1.936 122.152 120.200 0.026 0.000 2.279 210 E HA 0.306 4.701 4.350 0.075 0.000 0.252 210 E C -2.839 173.822 176.600 0.102 0.000 0.894 210 E CA -2.906 53.514 56.400 0.033 0.000 0.785 210 E CB 1.174 30.867 29.700 -0.012 0.000 1.237 210 E HN 0.009 nan 8.360 nan 0.000 0.418 211 P HA 0.162 nan 4.420 nan 0.000 0.263 211 P C -0.143 177.312 177.300 0.257 0.000 1.175 211 P CA 0.220 63.444 63.100 0.207 0.000 0.761 211 P CB 0.931 32.691 31.700 0.100 0.000 0.794 212 G N 0.813 109.892 108.800 0.465 0.000 2.680 212 G HA2 0.622 4.627 3.960 0.075 0.000 0.290 212 G HA3 0.622 4.627 3.960 0.075 0.000 0.290 212 G C -1.042 174.051 174.900 0.321 0.000 1.355 212 G CA -0.528 44.846 45.100 0.455 0.000 0.903 212 G HN 0.582 nan 8.290 nan 0.000 0.474 213 A N -1.178 121.782 122.820 0.232 0.000 2.386 213 A HA 0.813 5.178 4.320 0.075 0.000 0.246 213 A C 1.050 178.695 177.584 0.102 0.000 1.089 213 A CA 1.002 53.108 52.037 0.115 0.000 0.790 213 A CB -0.074 18.980 19.000 0.090 0.000 1.042 213 A HN 2.743 nan 8.150 nan 0.000 0.497 214 G N -1.402 107.403 108.800 0.008 0.000 2.663 214 G HA2 0.181 4.187 3.960 0.075 0.000 0.686 214 G HA3 0.181 4.187 3.960 0.075 0.000 0.686 214 G C 0.122 174.954 174.900 -0.114 0.000 1.246 214 G CA 0.003 45.090 45.100 -0.021 0.000 0.795 214 G HN 1.838 nan 8.290 nan 0.000 0.627 215 L N 1.327 122.499 121.223 -0.085 0.000 2.012 215 L HA -0.031 4.354 4.340 0.075 0.000 0.210 215 L C 3.034 179.809 176.870 -0.158 0.000 1.073 215 L CA 3.029 57.814 54.840 -0.091 0.000 0.748 215 L CB -0.803 41.242 42.059 -0.023 0.000 0.891 215 L HN 0.883 nan 8.230 nan 0.000 0.431 216 V N 0.117 119.926 119.914 -0.174 0.000 2.332 216 V HA -0.242 3.924 4.120 0.075 0.000 0.248 216 V C 2.636 178.327 176.094 -0.672 0.000 1.055 216 V CA 1.769 63.911 62.300 -0.263 0.000 1.038 216 V CB -1.698 30.075 31.823 -0.084 0.000 0.651 216 V HN 0.646 nan 8.190 nan 0.000 0.450 217 G N -0.398 107.701 108.800 -1.169 0.000 2.440 217 G HA2 -0.228 3.777 3.960 0.075 0.000 0.218 217 G HA3 -0.228 3.777 3.960 0.075 0.000 0.218 217 G C 1.772 176.330 174.900 -0.570 0.000 1.154 217 G CA 1.108 45.319 45.100 -1.481 0.000 0.767 217 G HN 0.618 nan 8.290 nan 0.000 0.552 218 A N 0.546 123.160 122.820 -0.343 0.000 1.902 218 A HA 0.102 4.467 4.320 0.075 0.000 0.217 218 A C 2.451 179.942 177.584 -0.155 0.000 1.181 218 A CA 1.314 53.240 52.037 -0.186 0.000 0.623 218 A CB -0.420 18.505 19.000 -0.125 0.000 0.818 218 A HN 0.353 nan 8.150 nan 0.000 0.443 219 L N -0.570 120.557 121.223 -0.161 0.000 2.083 219 L HA -0.150 4.235 4.340 0.075 0.000 0.209 219 L C 2.513 179.323 176.870 -0.101 0.000 1.083 219 L CA 0.929 55.707 54.840 -0.104 0.000 0.752 219 L CB -0.560 41.455 42.059 -0.074 0.000 0.899 219 L HN 0.241 nan 8.230 nan 0.000 0.433 220 V N 0.145 119.966 119.914 -0.155 0.000 2.295 220 V HA -0.285 3.880 4.120 0.075 0.000 0.246 220 V C 2.700 178.756 176.094 -0.063 0.000 1.049 220 V CA 1.925 64.167 62.300 -0.097 0.000 1.024 220 V CB -0.827 30.936 31.823 -0.101 0.000 0.648 220 V HN 0.488 nan 8.190 nan 0.000 0.447 221 A N -1.068 121.700 122.820 -0.087 0.000 2.014 221 A HA -0.166 4.199 4.320 0.075 0.000 0.218 221 A C 1.915 179.477 177.584 -0.037 0.000 1.163 221 A CA 1.957 53.966 52.037 -0.047 0.000 0.652 221 A CB -0.271 18.699 19.000 -0.050 0.000 0.808 221 A HN 0.602 nan 8.150 nan 0.000 0.449 222 D N -1.867 118.505 120.400 -0.047 0.000 3.013 222 D HA 0.067 4.752 4.640 0.075 0.000 0.256 222 D C 1.972 178.253 176.300 -0.031 0.000 1.573 222 D CA 0.617 54.595 54.000 -0.037 0.000 1.197 222 D CB -0.283 40.491 40.800 -0.042 0.000 1.041 222 D HN 0.126 nan 8.370 nan 0.000 0.304 223 Q N 0.288 120.067 119.800 -0.034 0.000 2.050 223 Q HA -0.040 4.345 4.340 0.075 0.000 0.202 223 Q C 2.125 178.114 176.000 -0.019 0.000 0.980 223 Q CA 1.037 56.824 55.803 -0.026 0.000 0.840 223 Q CB -0.438 28.285 28.738 -0.026 0.000 0.898 223 Q HN 0.254 nan 8.270 nan 0.000 0.424 224 L N 0.350 121.561 121.223 -0.020 0.000 2.013 224 L HA -0.199 4.186 4.340 0.075 0.000 0.212 224 L C 1.997 178.862 176.870 -0.008 0.000 1.073 224 L CA 2.283 57.116 54.840 -0.012 0.000 0.753 224 L CB -0.984 41.068 42.059 -0.012 0.000 0.890 224 L HN 0.230 nan 8.230 nan 0.000 0.432 225 A N -1.140 121.673 122.820 -0.011 0.000 2.070 225 A HA -0.168 4.197 4.320 0.075 0.000 0.220 225 A C 1.960 179.540 177.584 -0.006 0.000 1.159 225 A CA 1.689 53.722 52.037 -0.006 0.000 0.656 225 A CB -0.674 18.322 19.000 -0.007 0.000 0.800 225 A HN 0.668 nan 8.150 nan 0.000 0.453 226 N N -0.760 117.934 118.700 -0.009 0.000 2.336 226 N HA 0.082 4.868 4.740 0.075 0.000 0.189 226 N C 1.073 176.579 175.510 -0.006 0.000 1.113 226 N CA 0.795 53.840 53.050 -0.009 0.000 0.858 226 N CB 0.255 38.735 38.487 -0.012 0.000 0.970 226 N HN 0.575 nan 8.380 nan 0.000 0.471 227 G N 1.782 110.579 108.800 -0.005 0.000 2.203 227 G HA2 -0.303 3.702 3.960 0.075 0.000 0.263 227 G HA3 -0.303 3.702 3.960 0.075 0.000 0.263 227 G C 0.631 175.529 174.900 -0.003 0.000 1.012 227 G CA 0.528 45.626 45.100 -0.002 0.000 0.749 227 G HN 0.446 nan 8.290 nan 0.000 0.512 228 E N -1.081 119.115 120.200 -0.006 0.000 2.481 228 E HA 0.376 4.771 4.350 0.075 0.000 0.195 228 E C 0.968 177.566 176.600 -0.004 0.000 1.047 228 E CA 0.337 56.732 56.400 -0.008 0.000 0.867 228 E CB 0.643 30.334 29.700 -0.014 0.000 0.858 228 E HN 0.679 nan 8.360 nan 0.000 0.513 229 I N 0.701 121.271 120.570 -0.001 0.000 2.722 229 I HA 0.170 4.385 4.170 0.075 0.000 0.295 229 I C -1.486 174.636 176.117 0.009 0.000 1.161 229 I CA -0.985 60.319 61.300 0.007 0.000 1.032 229 I CB 1.902 39.907 38.000 0.010 0.000 1.244 229 I HN -0.255 nan 8.210 nan 0.000 0.421 230 D N 5.733 126.140 120.400 0.013 0.000 2.382 230 D HA 0.146 4.831 4.640 0.075 0.000 0.245 230 D C 0.938 177.246 176.300 0.012 0.000 1.120 230 D CA -0.054 53.953 54.000 0.011 0.000 0.890 230 D CB 1.486 42.294 40.800 0.012 0.000 1.201 230 D HN 0.489 nan 8.370 nan 0.000 0.433 231 R N 1.609 122.116 120.500 0.011 0.000 2.119 231 R HA -0.194 4.191 4.340 0.075 0.000 0.246 231 R C 1.274 177.583 176.300 0.014 0.000 1.146 231 R CA 1.417 57.524 56.100 0.012 0.000 0.962 231 R CB 0.175 30.483 30.300 0.012 0.000 0.863 231 R HN 0.433 nan 8.270 nan 0.000 0.442 232 E N 0.367 120.574 120.200 0.012 0.000 2.150 232 E HA -0.189 4.206 4.350 0.075 0.000 0.193 232 E C 1.853 178.459 176.600 0.010 0.000 0.985 232 E CA 1.119 57.525 56.400 0.010 0.000 0.814 232 E CB -0.054 29.650 29.700 0.006 0.000 0.752 232 E HN 0.548 nan 8.360 nan 0.000 0.466 233 E N 0.473 120.682 120.200 0.014 0.000 2.110 233 E HA -0.171 4.224 4.350 0.075 0.000 0.193 233 E C 2.091 178.707 176.600 0.027 0.000 0.988 233 E CA 0.524 56.937 56.400 0.022 0.000 0.804 233 E CB -0.076 29.643 29.700 0.031 0.000 0.745 233 E HN 0.050 nan 8.360 nan 0.000 0.458 234 L N 1.286 122.524 121.223 0.025 0.000 2.056 234 L HA -0.137 4.248 4.340 0.075 0.000 0.207 234 L C 1.972 178.858 176.870 0.026 0.000 1.078 234 L CA 1.442 56.298 54.840 0.026 0.000 0.749 234 L CB -0.453 41.616 42.059 0.016 0.000 0.901 234 L HN 0.107 nan 8.230 nan 0.000 0.433 235 I N -0.857 119.727 120.570 0.023 0.000 2.151 235 I HA -0.358 3.857 4.170 0.075 0.000 0.243 235 I C 2.410 178.537 176.117 0.018 0.000 1.080 235 I CA 1.647 62.963 61.300 0.027 0.000 1.339 235 I CB -0.536 37.480 38.000 0.027 0.000 1.039 235 I HN 0.236 nan 8.210 nan 0.000 0.409 236 S N -0.076 115.626 115.700 0.002 0.000 2.368 236 S HA -0.158 4.357 4.470 0.075 0.000 0.225 236 S C 2.035 176.612 174.600 -0.039 0.000 1.030 236 S CA 1.864 60.050 58.200 -0.024 0.000 0.999 236 S CB -0.307 62.871 63.200 -0.036 0.000 0.844 236 S HN 0.476 nan 8.310 nan 0.000 0.459 237 T N 2.360 116.904 114.554 -0.016 0.000 2.737 237 T HA -0.025 4.371 4.350 0.075 0.000 0.265 237 T C 2.172 176.873 174.700 0.002 0.000 1.038 237 T CA 1.241 63.331 62.100 -0.017 0.000 1.144 237 T CB -0.535 68.380 68.868 0.079 0.000 0.866 237 T HN 0.450 nan 8.240 nan 0.000 0.434 238 A N 1.266 124.103 122.820 0.028 0.000 1.940 238 A HA -0.070 4.295 4.320 0.075 0.000 0.219 238 A C 2.307 179.909 177.584 0.030 0.000 1.176 238 A CA 1.765 53.826 52.037 0.040 0.000 0.631 238 A CB -0.703 18.324 19.000 0.046 0.000 0.814 238 A HN 0.509 nan 8.150 nan 0.000 0.446 239 M N -1.081 118.530 119.600 0.018 0.000 2.132 239 M HA -0.081 4.444 4.480 0.075 0.000 0.263 239 M C 2.063 178.360 176.300 -0.005 0.000 1.065 239 M CA 1.712 57.023 55.300 0.019 0.000 1.122 239 M CB -0.194 32.415 32.600 0.014 0.000 1.365 239 M HN 0.415 nan 8.290 nan 0.000 0.411 240 L N 1.087 122.281 121.223 -0.048 0.000 1.990 240 L HA -0.226 4.159 4.340 0.075 0.000 0.213 240 L C 1.961 178.805 176.870 -0.043 0.000 1.072 240 L CA 2.060 56.848 54.840 -0.087 0.000 0.755 240 L CB -0.874 41.062 42.059 -0.205 0.000 0.889 240 L HN 0.376 nan 8.230 nan 0.000 0.432 241 L N -1.534 119.685 121.223 -0.006 0.000 2.109 241 L HA -0.155 4.230 4.340 0.075 0.000 0.207 241 L C 2.447 179.374 176.870 0.095 0.000 1.086 241 L CA 0.789 55.669 54.840 0.066 0.000 0.760 241 L CB -0.586 41.559 42.059 0.143 0.000 0.910 241 L HN 0.368 nan 8.230 nan 0.000 0.437 242 L N 0.127 121.393 121.223 0.070 0.000 2.017 242 L HA -0.186 4.200 4.340 0.075 0.000 0.208 242 L C 2.296 179.286 176.870 0.199 0.000 1.073 242 L CA 1.820 56.707 54.840 0.078 0.000 0.745 242 L CB -0.244 41.808 42.059 -0.012 0.000 0.894 242 L HN 0.071 nan 8.230 nan 0.000 0.432 243 I N -0.589 120.056 120.570 0.126 0.000 2.193 243 I HA -0.221 3.994 4.170 0.075 0.000 0.240 243 I C 2.607 178.697 176.117 -0.046 0.000 1.084 243 I CA 1.053 62.388 61.300 0.057 0.000 1.365 243 I CB -0.743 37.265 38.000 0.012 0.000 1.064 243 I HN 0.334 nan 8.210 nan 0.000 0.410 244 A N 1.140 123.957 122.820 -0.005 0.000 1.940 244 A HA -0.168 4.197 4.320 0.075 0.000 0.219 244 A C 2.404 180.009 177.584 0.036 0.000 1.176 244 A CA 2.025 54.061 52.037 -0.001 0.000 0.631 244 A CB -1.475 17.528 19.000 0.004 0.000 0.814 244 A HN 0.489 nan 8.150 nan 0.000 0.446 245 G N -0.941 107.918 108.800 0.099 0.000 2.448 245 G HA2 -0.220 3.786 3.960 0.075 0.000 0.219 245 G HA3 -0.220 3.786 3.960 0.075 0.000 0.219 245 G C 1.412 176.413 174.900 0.169 0.000 1.127 245 G CA 1.409 46.601 45.100 0.153 0.000 0.766 245 G HN 0.898 nan 8.290 nan 0.000 0.552 246 H N -1.439 117.663 119.070 0.053 0.000 2.788 246 H HA 0.245 4.846 4.556 0.075 0.000 0.262 246 H C 1.598 176.938 175.328 0.020 0.000 0.968 246 H CA 0.580 56.651 56.048 0.038 0.000 1.218 246 H CB 0.101 29.904 29.762 0.068 0.000 1.443 246 H HN 0.212 nan 8.280 nan 0.000 0.478 247 E N 1.558 121.485 120.200 -0.456 0.000 2.072 247 E HA -0.079 4.316 4.350 0.075 0.000 0.190 247 E C 2.282 178.809 176.600 -0.121 0.000 0.982 247 E CA 1.830 58.043 56.400 -0.311 0.000 0.803 247 E CB -0.188 29.330 29.700 -0.303 0.000 0.755 247 E HN 0.699 nan 8.360 nan 0.000 0.453 248 T N -0.520 113.993 114.554 -0.068 0.000 2.643 248 T HA -0.172 4.223 4.350 0.075 0.000 0.264 248 T C 2.246 176.947 174.700 0.002 0.000 1.045 248 T CA 2.224 64.318 62.100 -0.010 0.000 1.155 248 T CB -0.879 68.015 68.868 0.044 0.000 0.863 248 T HN 0.174 nan 8.240 nan 0.000 0.420 249 T N 1.072 115.635 114.554 0.015 0.000 2.867 249 T HA 0.148 4.543 4.350 0.075 0.000 0.268 249 T C 2.252 176.935 174.700 -0.030 0.000 1.057 249 T CA 1.494 63.600 62.100 0.010 0.000 1.136 249 T CB -0.910 67.973 68.868 0.025 0.000 0.874 249 T HN 0.547 nan 8.240 nan 0.000 0.466 250 A N 1.021 123.816 122.820 -0.041 0.000 1.892 250 A HA -0.065 4.300 4.320 0.075 0.000 0.218 250 A C 2.760 180.323 177.584 -0.036 0.000 1.188 250 A CA 2.434 54.439 52.037 -0.054 0.000 0.631 250 A CB -1.226 17.750 19.000 -0.040 0.000 0.822 250 A HN 0.587 nan 8.150 nan 0.000 0.447 251 S N -0.813 114.867 115.700 -0.033 0.000 2.368 251 S HA -0.113 4.402 4.470 0.075 0.000 0.224 251 S C 2.037 176.627 174.600 -0.018 0.000 1.029 251 S CA 1.544 59.729 58.200 -0.025 0.000 0.988 251 S CB -0.291 62.890 63.200 -0.031 0.000 0.838 251 S HN 0.454 nan 8.310 nan 0.000 0.462 252 M N 1.287 120.876 119.600 -0.018 0.000 2.117 252 M HA -0.053 4.472 4.480 0.075 0.000 0.262 252 M C 2.249 178.543 176.300 -0.010 0.000 1.065 252 M CA 1.413 56.703 55.300 -0.016 0.000 1.114 252 M CB -1.988 30.606 32.600 -0.010 0.000 1.361 252 M HN 0.261 nan 8.290 nan 0.000 0.408 253 T N 0.567 115.115 114.554 -0.010 0.000 2.674 253 T HA -0.101 4.294 4.350 0.075 0.000 0.265 253 T C 2.070 176.789 174.700 0.032 0.000 1.039 253 T CA 1.946 64.052 62.100 0.009 0.000 1.150 253 T CB -0.154 68.702 68.868 -0.021 0.000 0.864 253 T HN 0.366 nan 8.240 nan 0.000 0.427 254 S N 1.333 117.050 115.700 0.028 0.000 2.356 254 S HA 0.053 4.568 4.470 0.075 0.000 0.223 254 S C 2.089 176.707 174.600 0.030 0.000 1.032 254 S CA 0.859 59.082 58.200 0.040 0.000 1.005 254 S CB -0.522 62.697 63.200 0.032 0.000 0.867 254 S HN 0.317 nan 8.310 nan 0.000 0.449 255 L N 1.188 122.424 121.223 0.020 0.000 2.083 255 L HA -0.117 4.268 4.340 0.075 0.000 0.209 255 L C 2.562 179.447 176.870 0.025 0.000 1.083 255 L CA 0.958 55.818 54.840 0.033 0.000 0.752 255 L CB -0.568 41.506 42.059 0.025 0.000 0.899 255 L HN 0.276 nan 8.230 nan 0.000 0.433 256 S N -0.697 114.998 115.700 -0.008 0.000 2.368 256 S HA -0.142 4.374 4.470 0.075 0.000 0.224 256 S C 2.012 176.549 174.600 -0.104 0.000 1.029 256 S CA 1.109 59.276 58.200 -0.056 0.000 0.988 256 S CB -0.133 63.033 63.200 -0.056 0.000 0.838 256 S HN 0.157 nan 8.310 nan 0.000 0.462 257 V N 2.364 122.239 119.914 -0.065 0.000 2.295 257 V HA -0.187 3.978 4.120 0.075 0.000 0.246 257 V C 2.077 178.125 176.094 -0.076 0.000 1.049 257 V CA 1.607 63.849 62.300 -0.097 0.000 1.024 257 V CB -0.704 31.115 31.823 -0.007 0.000 0.648 257 V HN 0.451 nan 8.190 nan 0.000 0.447 258 I N 0.127 120.700 120.570 0.006 0.000 2.118 258 I HA -0.306 3.909 4.170 0.075 0.000 0.241 258 I C 2.536 178.703 176.117 0.083 0.000 1.070 258 I CA 2.229 63.570 61.300 0.068 0.000 1.327 258 I CB -0.878 37.189 38.000 0.112 0.000 1.034 258 I HN 0.344 nan 8.210 nan 0.000 0.405 259 T N 1.260 115.845 114.554 0.051 0.000 2.737 259 T HA -0.092 4.303 4.350 0.075 0.000 0.265 259 T C 1.979 176.606 174.700 -0.120 0.000 1.038 259 T CA 1.167 63.228 62.100 -0.066 0.000 1.144 259 T CB -0.367 68.440 68.868 -0.102 0.000 0.866 259 T HN 0.222 nan 8.240 nan 0.000 0.434 260 L N 0.402 121.487 121.223 -0.230 0.000 2.083 260 L HA -0.015 4.370 4.340 0.075 0.000 0.209 260 L C 2.408 179.153 176.870 -0.209 0.000 1.083 260 L CA 1.059 55.684 54.840 -0.358 0.000 0.752 260 L CB -0.519 41.030 42.059 -0.850 0.000 0.899 260 L HN 0.247 nan 8.230 nan 0.000 0.433 261 L N -0.774 120.360 121.223 -0.149 0.000 2.217 261 L HA -0.165 4.220 4.340 0.075 0.000 0.211 261 L C 1.533 178.434 176.870 0.051 0.000 1.107 261 L CA 0.670 55.517 54.840 0.012 0.000 0.783 261 L CB -0.362 41.719 42.059 0.038 0.000 0.919 261 L HN 0.209 nan 8.230 nan 0.000 0.442 262 D N -1.375 119.055 120.400 0.048 0.000 2.355 262 D HA -0.041 4.644 4.640 0.075 0.000 0.218 262 D C 0.173 176.328 176.300 -0.242 0.000 1.004 262 D CA 0.796 54.785 54.000 -0.018 0.000 0.880 262 D CB 0.073 40.918 40.800 0.075 0.000 0.911 262 D HN 0.312 nan 8.370 nan 0.000 0.528 263 H N -1.281 117.744 119.070 -0.075 0.000 2.439 263 H HA 0.191 4.792 4.556 0.076 0.000 0.230 263 H C -1.668 173.668 175.328 0.014 0.000 1.420 263 H CA -1.270 54.738 56.048 -0.065 0.000 1.305 263 H CB 1.076 30.744 29.762 -0.157 0.000 1.667 263 H HN -0.008 nan 8.280 nan 0.000 0.515 264 P HA -0.166 nan 4.420 nan 0.000 0.222 264 P C 1.379 178.758 177.300 0.131 0.000 1.147 264 P CA 1.009 64.197 63.100 0.147 0.000 0.790 264 P CB 0.850 32.607 31.700 0.094 0.000 0.780 265 E N 0.427 120.686 120.200 0.099 0.000 2.028 265 E HA -0.177 4.218 4.350 0.075 0.000 0.190 265 E C 2.258 178.921 176.600 0.106 0.000 0.984 265 E CA 0.990 57.440 56.400 0.083 0.000 0.800 265 E CB -0.222 29.517 29.700 0.065 0.000 0.758 265 E HN 0.225 nan 8.360 nan 0.000 0.448 266 Q N -0.677 119.197 119.800 0.123 0.000 2.124 266 Q HA -0.205 4.180 4.340 0.075 0.000 0.202 266 Q C 2.031 178.114 176.000 0.137 0.000 0.977 266 Q CA 1.281 57.150 55.803 0.109 0.000 0.850 266 Q CB -0.268 28.496 28.738 0.043 0.000 0.901 266 Q HN 0.360 nan 8.270 nan 0.000 0.429 267 Y N 1.218 121.518 120.300 0.000 0.000 2.128 267 Y HA -0.257 4.339 4.550 0.076 0.000 0.284 267 Y C 2.282 178.183 175.900 0.002 0.000 1.154 267 Y CA 1.105 59.201 58.100 -0.006 0.000 1.149 267 Y CB -0.749 37.715 38.460 0.007 0.000 0.976 267 Y HN 0.098 nan 8.280 nan 0.000 0.505 268 A N -0.002 122.827 122.820 0.015 0.000 1.933 268 A HA -0.108 4.257 4.320 0.075 0.000 0.218 268 A C 2.514 180.082 177.584 -0.027 0.000 1.175 268 A CA 2.070 54.068 52.037 -0.067 0.000 0.628 268 A CB -1.378 17.610 19.000 -0.020 0.000 0.814 268 A HN 0.520 nan 8.150 nan 0.000 0.444 269 A N -0.676 122.166 122.820 0.036 0.000 1.902 269 A HA -0.032 4.333 4.320 0.075 0.000 0.217 269 A C 2.109 179.713 177.584 0.034 0.000 1.181 269 A CA 1.723 53.799 52.037 0.066 0.000 0.623 269 A CB -0.586 18.506 19.000 0.153 0.000 0.818 269 A HN 0.547 nan 8.150 nan 0.000 0.443 270 L N -0.153 121.082 121.223 0.019 0.000 2.017 270 L HA -0.128 4.257 4.340 0.075 0.000 0.208 270 L C 2.498 179.361 176.870 -0.013 0.000 1.073 270 L CA 2.435 57.282 54.840 0.011 0.000 0.745 270 L CB -0.688 41.425 42.059 0.090 0.000 0.894 270 L HN 0.493 nan 8.230 nan 0.000 0.432 271 R N -0.822 119.633 120.500 -0.075 0.000 2.105 271 R HA -0.151 4.234 4.340 0.075 0.000 0.239 271 R C 2.034 178.301 176.300 -0.055 0.000 1.135 271 R CA 1.434 57.470 56.100 -0.107 0.000 0.967 271 R CB -0.321 29.849 30.300 -0.217 0.000 0.861 271 R HN 0.475 nan 8.270 nan 0.000 0.442 272 A N -0.472 122.327 122.820 -0.036 0.000 2.067 272 A HA -0.053 4.312 4.320 0.075 0.000 0.217 272 A C 0.265 177.850 177.584 0.002 0.000 1.156 272 A CA 0.990 53.018 52.037 -0.015 0.000 0.683 272 A CB 0.177 19.174 19.000 -0.005 0.000 0.808 272 A HN 0.361 nan 8.150 nan 0.000 0.455 273 D N -1.232 119.173 120.400 0.009 0.000 2.330 273 D HA 0.292 4.977 4.640 0.075 0.000 0.249 273 D C 0.698 177.006 176.300 0.013 0.000 1.306 273 D CA -0.496 53.515 54.000 0.018 0.000 0.956 273 D CB 0.492 41.315 40.800 0.038 0.000 1.261 273 D HN -0.079 nan 8.370 nan 0.000 0.544 274 R N 0.976 121.483 120.500 0.012 0.000 2.237 274 R HA -0.043 4.343 4.340 0.075 0.000 0.219 274 R C 1.781 178.091 176.300 0.017 0.000 1.080 274 R CA 0.698 56.806 56.100 0.015 0.000 0.995 274 R CB -0.846 29.465 30.300 0.018 0.000 0.875 274 R HN 0.462 nan 8.270 nan 0.000 0.462 275 S N 0.325 116.035 115.700 0.018 0.000 2.500 275 S HA -0.017 4.498 4.470 0.075 0.000 0.239 275 S C 1.856 176.465 174.600 0.015 0.000 0.989 275 S CA 0.587 58.799 58.200 0.019 0.000 0.951 275 S CB -0.327 62.886 63.200 0.022 0.000 0.759 275 S HN 0.264 nan 8.310 nan 0.000 0.523 276 L N 0.708 121.935 121.223 0.005 0.000 2.492 276 L HA 0.113 4.499 4.340 0.075 0.000 0.223 276 L C 2.284 179.137 176.870 -0.029 0.000 1.132 276 L CA 0.143 54.970 54.840 -0.022 0.000 0.850 276 L CB -0.409 41.615 42.059 -0.058 0.000 0.966 276 L HN 0.235 nan 8.230 nan 0.000 0.454 277 V N 0.735 120.646 119.914 -0.004 0.000 2.295 277 V HA -0.147 4.019 4.120 0.075 0.000 0.246 277 V C -0.096 176.001 176.094 0.006 0.000 1.049 277 V CA 1.882 64.184 62.300 0.004 0.000 1.024 277 V CB -1.406 30.432 31.823 0.026 0.000 0.648 277 V HN 0.342 nan 8.190 nan 0.000 0.447 278 P HA -0.130 nan 4.420 nan 0.000 0.215 278 P C 1.741 179.053 177.300 0.021 0.000 1.153 278 P CA 1.903 65.020 63.100 0.027 0.000 0.853 278 P CB -0.335 31.384 31.700 0.032 0.000 0.788 279 G N -0.004 108.798 108.800 0.004 0.000 2.418 279 G HA2 -0.251 3.754 3.960 0.075 0.000 0.217 279 G HA3 -0.251 3.754 3.960 0.075 0.000 0.217 279 G C 1.657 176.529 174.900 -0.046 0.000 1.158 279 G CA 0.929 46.023 45.100 -0.010 0.000 0.771 279 G HN 0.327 nan 8.290 nan 0.000 0.545 280 A N 0.027 122.805 122.820 -0.070 0.000 1.972 280 A HA 0.114 4.479 4.320 0.075 0.000 0.219 280 A C 2.578 180.111 177.584 -0.084 0.000 1.169 280 A CA 1.689 53.663 52.037 -0.105 0.000 0.635 280 A CB -0.487 18.454 19.000 -0.099 0.000 0.810 280 A HN 0.250 nan 8.150 nan 0.000 0.446 281 V N 0.199 120.091 119.914 -0.037 0.000 2.358 281 V HA -0.188 3.977 4.120 0.075 0.000 0.246 281 V C 2.571 178.648 176.094 -0.028 0.000 1.047 281 V CA 2.053 64.343 62.300 -0.016 0.000 1.035 281 V CB -0.632 31.210 31.823 0.032 0.000 0.658 281 V HN 0.499 nan 8.190 nan 0.000 0.452 282 E N 0.072 120.273 120.200 0.002 0.000 2.051 282 E HA -0.252 4.143 4.350 0.075 0.000 0.192 282 E C 2.183 178.684 176.600 -0.166 0.000 0.991 282 E CA 1.564 57.968 56.400 0.006 0.000 0.799 282 E CB -0.296 29.473 29.700 0.115 0.000 0.748 282 E HN 0.697 nan 8.360 nan 0.000 0.449 283 E N 0.909 121.023 120.200 -0.144 0.000 2.110 283 E HA -0.120 4.275 4.350 0.075 0.000 0.193 283 E C 2.132 178.604 176.600 -0.214 0.000 0.988 283 E CA 0.823 57.099 56.400 -0.206 0.000 0.804 283 E CB -0.317 29.259 29.700 -0.207 0.000 0.745 283 E HN 0.203 nan 8.360 nan 0.000 0.458 284 L N -0.210 120.906 121.223 -0.179 0.000 2.156 284 L HA -0.091 4.294 4.340 0.075 0.000 0.208 284 L C 2.408 179.187 176.870 -0.152 0.000 1.095 284 L CA 0.613 55.374 54.840 -0.132 0.000 0.770 284 L CB -0.262 41.729 42.059 -0.113 0.000 0.914 284 L HN 0.214 nan 8.230 nan 0.000 0.439 285 L N -0.698 120.372 121.223 -0.255 0.000 2.027 285 L HA -0.204 4.181 4.340 0.075 0.000 0.206 285 L C 2.838 179.419 176.870 -0.483 0.000 1.074 285 L CA 1.163 55.770 54.840 -0.389 0.000 0.745 285 L CB -0.484 41.279 42.059 -0.493 0.000 0.898 285 L HN 0.227 nan 8.230 nan 0.000 0.433 286 R N -0.730 119.396 120.500 -0.623 0.000 2.080 286 R HA -0.261 4.124 4.340 0.075 0.000 0.236 286 R C 2.487 178.681 176.300 -0.176 0.000 1.137 286 R CA 2.083 57.909 56.100 -0.457 0.000 0.943 286 R CB -0.546 29.474 30.300 -0.467 0.000 0.846 286 R HN 0.216 nan 8.270 nan 0.000 0.431 287 Y N 0.849 120.989 120.300 -0.267 0.000 2.242 287 Y HA -0.116 4.479 4.550 0.075 0.000 0.291 287 Y C 1.955 177.800 175.900 -0.092 0.000 1.137 287 Y CA 1.604 59.607 58.100 -0.162 0.000 1.181 287 Y CB 0.005 38.359 38.460 -0.177 0.000 0.989 287 Y HN 0.072 nan 8.280 nan 0.000 0.527 288 L N -0.805 120.398 121.223 -0.033 0.000 2.354 288 L HA 0.214 4.599 4.340 0.075 0.000 0.212 288 L C 1.410 178.232 176.870 -0.081 0.000 1.091 288 L CA 0.430 55.234 54.840 -0.059 0.000 0.828 288 L CB -0.676 41.371 42.059 -0.020 0.000 0.973 288 L HN 0.110 nan 8.230 nan 0.000 0.461 289 A N 1.371 124.129 122.820 -0.103 0.000 2.261 289 A HA -0.220 4.146 4.320 0.075 0.000 0.282 289 A C 1.273 178.828 177.584 -0.048 0.000 1.403 289 A CA 1.010 52.999 52.037 -0.080 0.000 0.753 289 A CB -1.926 17.052 19.000 -0.037 0.000 1.125 289 A HN 0.646 nan 8.150 nan 0.000 0.358 290 I N -2.744 117.789 120.570 -0.062 0.000 2.830 290 I HA 0.288 4.503 4.170 0.075 0.000 0.263 290 I C 1.346 177.454 176.117 -0.015 0.000 1.230 290 I CA 1.473 62.751 61.300 -0.037 0.000 1.480 290 I CB 0.155 38.131 38.000 -0.040 0.000 1.095 290 I HN 0.780 nan 8.210 nan 0.000 0.455 291 A N 1.861 124.677 122.820 -0.005 0.000 3.213 291 A HA 0.227 4.593 4.320 0.075 0.000 0.308 291 A C 0.988 178.598 177.584 0.044 0.000 1.177 291 A CA -0.073 51.979 52.037 0.024 0.000 1.010 291 A CB -0.691 18.332 19.000 0.039 0.000 1.092 291 A HN 0.523 nan 8.150 nan 0.000 0.583 292 D N 0.269 120.700 120.400 0.051 0.000 2.310 292 D HA -0.174 4.511 4.640 0.075 0.000 0.212 292 D C 1.017 177.382 176.300 0.109 0.000 0.965 292 D CA 1.354 55.403 54.000 0.083 0.000 0.879 292 D CB -0.321 40.546 40.800 0.112 0.000 0.921 292 D HN 0.685 nan 8.370 nan 0.000 0.510 293 I N -3.939 116.693 120.570 0.104 0.000 3.976 293 I HA 0.470 4.685 4.170 0.075 0.000 0.337 293 I C 1.000 177.169 176.117 0.086 0.000 1.359 293 I CA -0.593 60.782 61.300 0.125 0.000 1.098 293 I CB 0.255 38.335 38.000 0.133 0.000 1.027 293 I HN -0.065 nan 8.210 nan 0.000 0.394 294 A N 1.955 124.823 122.820 0.080 0.000 3.051 294 A HA 0.606 4.972 4.320 0.075 0.000 0.257 294 A C 1.061 178.692 177.584 0.079 0.000 1.785 294 A CA 0.362 52.450 52.037 0.085 0.000 1.420 294 A CB -1.440 17.610 19.000 0.085 0.000 1.063 294 A HN 0.656 nan 8.150 nan 0.000 0.630 295 G N -0.040 108.796 108.800 0.060 0.000 5.482 295 G HA2 0.427 4.433 3.960 0.075 0.000 0.208 295 G HA3 0.427 4.433 3.960 0.075 0.000 0.208 295 G C 0.338 175.227 174.900 -0.018 0.000 0.756 295 G CA 0.345 45.466 45.100 0.034 0.000 0.682 295 G HN 0.848 nan 8.290 nan 0.000 0.405 296 G N 0.611 109.401 108.800 -0.016 0.000 2.432 296 G HA2 0.601 4.606 3.960 0.075 0.000 0.257 296 G HA3 0.601 4.606 3.960 0.075 0.000 0.257 296 G C -0.336 174.413 174.900 -0.252 0.000 1.238 296 G CA -0.277 44.666 45.100 -0.261 0.000 0.838 296 G HN 0.234 nan 8.290 nan 0.000 0.547 297 R N 0.144 120.383 120.500 -0.435 0.000 2.710 297 R HA 0.580 4.965 4.340 0.075 0.000 0.270 297 R C -1.699 174.471 176.300 -0.216 0.000 1.021 297 R CA -0.854 55.147 56.100 -0.165 0.000 0.889 297 R CB 1.795 32.064 30.300 -0.052 0.000 1.243 297 R HN 0.499 nan 8.270 nan 0.000 0.464 298 V N 0.656 120.567 119.914 -0.006 0.000 2.588 298 V HA 0.723 4.889 4.120 0.075 0.000 0.304 298 V C -0.579 175.542 176.094 0.044 0.000 1.042 298 V CA -0.661 61.650 62.300 0.018 0.000 0.877 298 V CB 1.765 33.656 31.823 0.114 0.000 0.996 298 V HN 0.906 nan 8.190 nan 0.000 0.425 299 A N 3.840 126.679 122.820 0.032 0.000 2.450 299 A HA 0.502 4.867 4.320 0.075 0.000 0.255 299 A C 1.097 178.706 177.584 0.041 0.000 1.096 299 A CA 0.431 52.487 52.037 0.031 0.000 0.778 299 A CB 0.484 19.499 19.000 0.023 0.000 1.031 299 A HN 1.381 nan 8.150 nan 0.000 0.494 300 T N -0.870 113.707 114.554 0.039 0.000 3.086 300 T HA 0.552 4.947 4.350 0.075 0.000 0.250 300 T C 0.384 175.101 174.700 0.028 0.000 1.074 300 T CA 0.583 62.707 62.100 0.040 0.000 0.988 300 T CB -0.205 68.691 68.868 0.045 0.000 0.988 300 T HN 1.725 nan 8.240 nan 0.000 0.530 301 A N 0.584 123.416 122.820 0.021 0.000 2.608 301 A HA 0.585 4.950 4.320 0.075 0.000 0.292 301 A C -1.732 175.855 177.584 0.005 0.000 1.066 301 A CA -0.978 51.066 52.037 0.012 0.000 0.676 301 A CB 0.780 19.785 19.000 0.009 0.000 1.277 301 A HN 0.154 nan 8.150 nan 0.000 0.413 302 D N 0.428 120.828 120.400 0.000 0.000 2.414 302 D HA 0.474 5.159 4.640 0.075 0.000 0.242 302 D C -0.369 175.914 176.300 -0.029 0.000 1.129 302 D CA 0.993 54.986 54.000 -0.010 0.000 0.885 302 D CB 0.534 41.329 40.800 -0.009 0.000 1.198 302 D HN 0.400 nan 8.370 nan 0.000 0.437 303 I N 1.308 121.846 120.570 -0.053 0.000 2.478 303 I HA 0.162 4.377 4.170 0.075 0.000 0.287 303 I C 0.177 176.227 176.117 -0.112 0.000 1.042 303 I CA -0.684 60.569 61.300 -0.078 0.000 1.067 303 I CB 1.945 39.890 38.000 -0.093 0.000 1.233 303 I HN 0.110 nan 8.210 nan 0.000 0.431 304 E N 5.247 125.390 120.200 -0.096 0.000 2.227 304 E HA 0.498 4.893 4.350 0.075 0.000 0.282 304 E C -1.307 175.214 176.600 -0.132 0.000 1.015 304 E CA -0.484 55.848 56.400 -0.113 0.000 0.823 304 E CB 1.799 31.451 29.700 -0.081 0.000 1.081 304 E HN 0.330 nan 8.360 nan 0.000 0.396 305 V N 4.952 124.762 119.914 -0.173 0.000 2.385 305 V HA 0.092 4.257 4.120 0.075 0.000 0.277 305 V C -0.441 175.557 176.094 -0.159 0.000 1.012 305 V CA -0.552 61.641 62.300 -0.179 0.000 0.832 305 V CB 0.968 32.639 31.823 -0.253 0.000 1.028 305 V HN 0.920 nan 8.190 nan 0.000 0.436 306 E N 3.503 123.635 120.200 -0.114 0.000 2.269 306 E HA -0.305 4.090 4.350 0.075 0.000 0.223 306 E C 1.374 177.921 176.600 -0.090 0.000 1.244 306 E CA 0.685 57.031 56.400 -0.091 0.000 0.713 306 E CB -1.136 28.513 29.700 -0.086 0.000 1.178 306 E HN 1.428 nan 8.360 nan 0.000 0.370 307 G N -0.245 108.503 108.800 -0.087 0.000 2.284 307 G HA2 -0.393 3.612 3.960 0.075 0.000 0.247 307 G HA3 -0.393 3.612 3.960 0.075 0.000 0.247 307 G C 0.248 175.093 174.900 -0.092 0.000 1.012 307 G CA 0.556 45.611 45.100 -0.074 0.000 0.618 307 G HN 0.372 nan 8.290 nan 0.000 0.521 308 Q N -0.199 119.514 119.800 -0.145 0.000 2.259 308 Q HA 0.652 5.037 4.340 0.075 0.000 0.249 308 Q C -0.529 175.326 176.000 -0.242 0.000 0.914 308 Q CA -0.616 55.063 55.803 -0.208 0.000 0.904 308 Q CB 1.729 30.252 28.738 -0.358 0.000 1.213 308 Q HN 0.323 nan 8.270 nan 0.000 0.428 309 L N 3.969 125.080 121.223 -0.187 0.000 2.287 309 L HA 0.450 4.835 4.340 0.075 0.000 0.287 309 L C -1.184 175.581 176.870 -0.175 0.000 1.022 309 L CA -0.072 54.680 54.840 -0.147 0.000 0.814 309 L CB 1.077 43.111 42.059 -0.042 0.000 1.217 309 L HN 0.548 nan 8.230 nan 0.000 0.420 310 I N 5.348 125.770 120.570 -0.247 0.000 2.342 310 I HA 0.350 4.565 4.170 0.075 0.000 0.291 310 I C 0.234 176.356 176.117 0.008 0.000 1.010 310 I CA -0.424 60.791 61.300 -0.142 0.000 1.308 310 I CB 0.695 38.541 38.000 -0.256 0.000 1.400 310 I HN 0.543 nan 8.210 nan 0.000 0.488 311 R N 4.589 125.156 120.500 0.112 0.000 2.457 311 R HA 0.588 4.974 4.340 0.075 0.000 0.284 311 R C 0.007 176.342 176.300 0.058 0.000 1.024 311 R CA -0.761 55.383 56.100 0.072 0.000 1.025 311 R CB 1.100 31.451 30.300 0.084 0.000 1.063 311 R HN 0.739 nan 8.270 nan 0.000 0.493 312 A N 1.414 124.255 122.820 0.036 0.000 2.584 312 A HA 0.290 4.655 4.320 0.075 0.000 0.239 312 A C 1.327 178.935 177.584 0.041 0.000 1.043 312 A CA 1.062 53.120 52.037 0.034 0.000 0.756 312 A CB -0.622 18.394 19.000 0.027 0.000 0.963 312 A HN 0.982 nan 8.150 nan 0.000 0.511 313 G N 1.588 110.415 108.800 0.043 0.000 2.175 313 G HA2 -0.190 3.815 3.960 0.075 0.000 0.244 313 G HA3 -0.190 3.815 3.960 0.075 0.000 0.244 313 G C 0.003 174.926 174.900 0.039 0.000 0.982 313 G CA 0.421 45.547 45.100 0.043 0.000 0.641 313 G HN 0.885 nan 8.290 nan 0.000 0.527 314 E N 0.429 120.662 120.200 0.054 0.000 2.313 314 E HA 0.505 4.901 4.350 0.075 0.000 0.272 314 E C 0.785 177.412 176.600 0.044 0.000 1.038 314 E CA -0.077 56.360 56.400 0.062 0.000 0.863 314 E CB 1.266 31.062 29.700 0.160 0.000 1.060 314 E HN 0.333 nan 8.360 nan 0.000 0.402 315 G N 0.797 109.591 108.800 -0.010 0.000 2.420 315 G HA2 0.450 4.455 3.960 0.075 0.000 0.284 315 G HA3 0.450 4.455 3.960 0.075 0.000 0.284 315 G C -0.733 174.147 174.900 -0.034 0.000 1.177 315 G CA -0.331 44.716 45.100 -0.088 0.000 0.841 315 G HN 0.269 nan 8.290 nan 0.000 0.527 316 V N 2.593 122.447 119.914 -0.100 0.000 2.686 316 V HA 0.427 4.592 4.120 0.075 0.000 0.306 316 V C -0.393 175.608 176.094 -0.156 0.000 1.065 316 V CA -0.547 61.722 62.300 -0.052 0.000 0.894 316 V CB 1.771 33.578 31.823 -0.026 0.000 1.004 316 V HN 0.662 nan 8.190 nan 0.000 0.424 317 I N 4.277 124.751 120.570 -0.161 0.000 2.389 317 I HA 0.409 4.625 4.170 0.075 0.000 0.288 317 I C -0.371 175.663 176.117 -0.139 0.000 0.999 317 I CA -0.919 60.279 61.300 -0.170 0.000 1.129 317 I CB 2.073 39.953 38.000 -0.200 0.000 1.288 317 I HN 0.284 nan 8.210 nan 0.000 0.444 318 V N 7.446 127.312 119.914 -0.081 0.000 2.356 318 V HA 0.101 4.266 4.120 0.075 0.000 0.258 318 V C 0.331 176.406 176.094 -0.032 0.000 1.065 318 V CA -0.482 61.784 62.300 -0.057 0.000 0.935 318 V CB 0.856 32.663 31.823 -0.027 0.000 1.061 318 V HN 0.420 nan 8.190 nan 0.000 0.484 319 V N 6.364 126.243 119.914 -0.058 0.000 2.338 319 V HA 0.097 4.262 4.120 0.075 0.000 0.255 319 V C 1.319 177.419 176.094 0.009 0.000 1.082 319 V CA -0.190 62.095 62.300 -0.024 0.000 0.951 319 V CB 0.292 32.051 31.823 -0.107 0.000 1.102 319 V HN 1.066 nan 8.190 nan 0.000 0.489 320 N N 3.266 121.993 118.700 0.044 0.000 2.457 320 N HA -0.156 4.629 4.740 0.075 0.000 0.180 320 N C 1.766 177.324 175.510 0.080 0.000 1.050 320 N CA 1.059 54.148 53.050 0.065 0.000 0.906 320 N CB -0.160 38.374 38.487 0.078 0.000 0.968 320 N HN 0.597 nan 8.380 nan 0.000 0.445 321 S N 1.078 116.824 115.700 0.075 0.000 2.348 321 S HA -0.090 4.425 4.470 0.075 0.000 0.221 321 S C 1.907 176.562 174.600 0.091 0.000 1.033 321 S CA 0.826 59.074 58.200 0.079 0.000 1.010 321 S CB -0.890 62.384 63.200 0.124 0.000 0.891 321 S HN 0.332 nan 8.310 nan 0.000 0.442 322 I N 2.684 123.302 120.570 0.080 0.000 2.179 322 I HA -0.160 4.055 4.170 0.075 0.000 0.242 322 I C 3.122 179.295 176.117 0.094 0.000 1.088 322 I CA 1.199 62.539 61.300 0.067 0.000 1.357 322 I CB -0.758 37.237 38.000 -0.009 0.000 1.051 322 I HN 0.428 nan 8.210 nan 0.000 0.409 323 A N 0.866 123.742 122.820 0.095 0.000 1.940 323 A HA -0.218 4.147 4.320 0.075 0.000 0.219 323 A C 1.927 179.694 177.584 0.305 0.000 1.176 323 A CA 1.969 54.099 52.037 0.154 0.000 0.631 323 A CB -0.648 18.404 19.000 0.086 0.000 0.814 323 A HN 0.422 nan 8.150 nan 0.000 0.446 324 N N -0.506 118.358 118.700 0.273 0.000 2.515 324 N HA -0.019 4.766 4.740 0.075 0.000 0.185 324 N C 0.748 176.418 175.510 0.268 0.000 1.109 324 N CA 0.430 53.671 53.050 0.318 0.000 0.903 324 N CB 0.002 38.570 38.487 0.135 0.000 0.969 324 N HN 0.290 nan 8.380 nan 0.000 0.450 325 R N 0.439 121.068 120.500 0.216 0.000 2.552 325 R HA 0.128 4.513 4.340 0.075 0.000 0.314 325 R C -0.388 176.027 176.300 0.193 0.000 1.041 325 R CA -0.252 55.962 56.100 0.190 0.000 1.076 325 R CB -0.383 29.985 30.300 0.112 0.000 1.290 325 R HN 0.076 nan 8.270 nan 0.000 0.563 326 D N 0.564 121.099 120.400 0.225 0.000 2.344 326 D HA 0.059 4.744 4.640 0.075 0.000 0.253 326 D C 1.171 177.520 176.300 0.082 0.000 1.255 326 D CA 0.090 54.167 54.000 0.128 0.000 0.894 326 D CB 1.092 41.962 40.800 0.118 0.000 1.067 326 D HN 0.287 nan 8.370 nan 0.000 0.492 327 G N 2.607 111.449 108.800 0.069 0.000 2.535 327 G HA2 -0.238 3.768 3.960 0.075 0.000 0.218 327 G HA3 -0.238 3.768 3.960 0.075 0.000 0.218 327 G C 1.428 176.320 174.900 -0.012 0.000 1.122 327 G CA 1.199 46.329 45.100 0.049 0.000 0.769 327 G HN 0.596 nan 8.290 nan 0.000 0.549 328 T N -2.155 112.373 114.554 -0.044 0.000 3.085 328 T HA 0.089 4.484 4.350 0.075 0.000 0.263 328 T C 1.922 176.519 174.700 -0.171 0.000 1.127 328 T CA 1.176 63.228 62.100 -0.080 0.000 1.103 328 T CB 0.237 69.067 68.868 -0.062 0.000 0.921 328 T HN 0.044 nan 8.240 nan 0.000 0.510 329 V N -1.472 118.268 119.914 -0.289 0.000 3.013 329 V HA 0.316 4.481 4.120 0.075 0.000 0.238 329 V C -0.097 175.555 176.094 -0.737 0.000 1.161 329 V CA -0.115 61.816 62.300 -0.615 0.000 1.170 329 V CB -0.145 31.057 31.823 -1.034 0.000 0.917 329 V HN 0.396 nan 8.190 nan 0.000 0.478 330 Y N 1.476 121.754 120.300 -0.036 0.000 2.575 330 Y HA 0.475 5.069 4.550 0.074 0.000 0.326 330 Y C 0.368 176.281 175.900 0.020 0.000 0.979 330 Y CA -1.474 56.630 58.100 0.005 0.000 1.286 330 Y CB 0.388 38.866 38.460 0.031 0.000 1.093 330 Y HN 0.173 nan 8.280 nan 0.000 0.501 331 E N 4.247 124.518 120.200 0.117 0.000 2.465 331 E HA -0.076 4.319 4.350 0.075 0.000 0.260 331 E C -0.502 176.160 176.600 0.103 0.000 0.980 331 E CA 0.263 56.711 56.400 0.081 0.000 0.927 331 E CB 0.312 30.044 29.700 0.053 0.000 0.934 331 E HN 0.701 nan 8.360 nan 0.000 0.459 332 D N 4.454 124.907 120.400 0.090 0.000 2.828 332 D HA -0.126 4.559 4.640 0.075 0.000 0.241 332 D C -1.812 174.567 176.300 0.132 0.000 1.142 332 D CA 0.443 54.501 54.000 0.096 0.000 0.755 332 D CB -0.476 40.371 40.800 0.078 0.000 1.014 332 D HN 0.522 nan 8.370 nan 0.000 0.420 333 P HA -0.110 nan 4.420 nan 0.000 0.226 333 P C 0.701 178.135 177.300 0.223 0.000 1.153 333 P CA 0.870 64.093 63.100 0.204 0.000 0.777 333 P CB 0.396 32.219 31.700 0.205 0.000 0.794 334 D N -0.316 120.209 120.400 0.208 0.000 2.339 334 D HA 0.163 4.848 4.640 0.075 0.000 0.217 334 D C 0.718 177.253 176.300 0.393 0.000 1.050 334 D CA 0.113 54.277 54.000 0.273 0.000 0.856 334 D CB 0.036 40.938 40.800 0.170 0.000 0.922 334 D HN 0.113 nan 8.370 nan 0.000 0.518 335 A N 1.001 123.968 122.820 0.245 0.000 2.276 335 A HA 0.388 4.753 4.320 0.075 0.000 0.300 335 A C -0.075 177.413 177.584 -0.160 0.000 1.235 335 A CA -0.571 51.531 52.037 0.109 0.000 0.867 335 A CB 0.372 19.412 19.000 0.068 0.000 1.137 335 A HN 0.181 nan 8.150 nan 0.000 0.527 336 L N 2.599 123.487 121.223 -0.558 0.000 2.513 336 L HA 0.316 4.701 4.340 0.075 0.000 0.272 336 L C -0.478 176.132 176.870 -0.434 0.000 1.187 336 L CA 0.807 55.066 54.840 -0.969 0.000 0.895 336 L CB 0.380 41.600 42.059 -1.399 0.000 1.147 336 L HN 0.668 nan 8.230 nan 0.000 0.483 337 D N 4.068 124.267 120.400 -0.335 0.000 2.323 337 D HA 0.139 4.824 4.640 0.075 0.000 0.242 337 D C 0.740 176.949 176.300 -0.152 0.000 1.347 337 D CA -0.363 53.553 54.000 -0.140 0.000 0.988 337 D CB 0.575 41.354 40.800 -0.035 0.000 1.314 337 D HN 0.521 nan 8.370 nan 0.000 0.564 338 I N 0.452 120.895 120.570 -0.211 0.000 3.083 338 I HA 0.009 4.224 4.170 0.075 0.000 0.273 338 I C 0.603 176.541 176.117 -0.299 0.000 1.297 338 I CA 0.874 62.004 61.300 -0.283 0.000 1.452 338 I CB -0.212 37.587 38.000 -0.335 0.000 1.078 338 I HN 0.208 nan 8.210 nan 0.000 0.484 339 H N 1.255 120.298 119.070 -0.045 0.000 2.563 339 H HA 0.201 4.802 4.556 0.076 0.000 0.264 339 H C 1.049 176.373 175.328 -0.007 0.000 0.957 339 H CA -0.200 55.837 56.048 -0.018 0.000 1.173 339 H CB 0.049 29.804 29.762 -0.012 0.000 1.420 339 H HN 0.438 nan 8.280 nan 0.000 0.551 340 R N 0.479 121.026 120.500 0.078 0.000 2.707 340 R HA 0.225 4.610 4.340 0.075 0.000 0.270 340 R C -0.098 176.240 176.300 0.064 0.000 1.083 340 R CA -0.311 55.831 56.100 0.070 0.000 1.182 340 R CB 0.645 30.977 30.300 0.053 0.000 1.084 340 R HN -0.050 nan 8.270 nan 0.000 0.528 341 S N 0.481 116.239 115.700 0.097 0.000 2.400 341 S HA 0.320 4.835 4.470 0.075 0.000 0.295 341 S C 0.467 175.166 174.600 0.164 0.000 1.113 341 S CA -0.285 57.980 58.200 0.108 0.000 1.064 341 S CB 0.576 63.843 63.200 0.111 0.000 0.990 341 S HN 0.687 nan 8.310 nan 0.000 0.502 342 A N 5.723 128.604 122.820 0.102 0.000 2.370 342 A HA 0.276 4.641 4.320 0.075 0.000 0.238 342 A C 0.884 178.624 177.584 0.260 0.000 1.289 342 A CA -0.258 51.827 52.037 0.079 0.000 0.885 342 A CB -0.027 18.930 19.000 -0.071 0.000 0.961 342 A HN 0.799 nan 8.150 nan 0.000 0.499 343 R N -0.663 119.947 120.500 0.183 0.000 2.734 343 R HA 0.265 4.650 4.340 0.075 0.000 0.266 343 R C 0.107 176.452 176.300 0.074 0.000 1.044 343 R CA 0.523 56.620 56.100 -0.006 0.000 1.128 343 R CB -0.092 30.047 30.300 -0.268 0.000 1.010 343 R HN 0.714 nan 8.270 nan 0.000 0.461 344 H N -3.194 115.999 119.070 0.204 0.000 3.428 344 H HA -0.198 4.402 4.556 0.074 0.000 0.204 344 H C -0.194 175.375 175.328 0.401 0.000 1.078 344 H CA 0.932 57.128 56.048 0.246 0.000 1.183 344 H CB -2.264 27.635 29.762 0.227 0.000 1.132 344 H HN 0.878 nan 8.280 nan 0.000 0.323 345 H N -0.024 119.328 119.070 0.470 0.000 2.730 345 H HA 0.328 4.929 4.556 0.075 0.000 0.376 345 H C 0.933 176.453 175.328 0.321 0.000 1.299 345 H CA -0.117 56.183 56.048 0.420 0.000 1.447 345 H CB 0.615 30.450 29.762 0.122 0.000 1.493 345 H HN 0.268 nan 8.280 nan 0.000 0.619 346 L N 1.139 122.608 121.223 0.411 0.000 2.910 346 L HA 0.324 4.709 4.340 0.075 0.000 0.252 346 L C 2.004 179.018 176.870 0.239 0.000 1.195 346 L CA 0.319 55.307 54.840 0.247 0.000 1.003 346 L CB -0.025 42.107 42.059 0.123 0.000 1.328 346 L HN 0.925 nan 8.230 nan 0.000 0.540 347 A N 0.029 123.048 122.820 0.333 0.000 2.024 347 A HA -0.140 4.225 4.320 0.075 0.000 0.220 347 A C 1.456 178.993 177.584 -0.079 0.000 1.164 347 A CA 1.629 53.667 52.037 0.001 0.000 0.643 347 A CB -0.400 18.428 19.000 -0.287 0.000 0.806 347 A HN 0.399 nan 8.150 nan 0.000 0.451 348 F N -0.878 119.197 119.950 0.209 0.000 2.639 348 F HA 0.447 5.018 4.527 0.073 0.000 0.302 348 F C 1.503 177.371 175.800 0.113 0.000 1.097 348 F CA 0.097 58.177 58.000 0.133 0.000 1.294 348 F CB -0.165 38.899 39.000 0.107 0.000 1.027 348 F HN 0.443 nan 8.300 nan 0.000 0.550 349 G N 1.048 110.011 108.800 0.271 0.000 2.632 349 G HA2 -0.177 3.828 3.960 0.075 0.000 0.224 349 G HA3 -0.177 3.828 3.960 0.075 0.000 0.224 349 G C -1.099 173.973 174.900 0.285 0.000 1.341 349 G CA -0.296 44.945 45.100 0.234 0.000 0.880 349 G HN 0.316 nan 8.290 nan 0.000 0.566 350 F N -0.143 119.859 119.950 0.086 0.000 2.672 350 F HA 0.623 5.194 4.527 0.073 0.000 0.311 350 F C 0.647 176.480 175.800 0.056 0.000 1.113 350 F CA 1.728 59.762 58.000 0.057 0.000 0.996 350 F CB 1.169 40.181 39.000 0.019 0.000 1.286 350 F HN 2.590 nan 8.300 nan 0.000 0.441 351 G N 2.800 110.971 108.800 -1.048 0.000 2.484 351 G HA2 -0.129 3.877 3.960 0.075 0.000 0.225 351 G HA3 -0.129 3.877 3.960 0.075 0.000 0.225 351 G C 0.527 175.255 174.900 -0.287 0.000 1.250 351 G CA 0.343 45.047 45.100 -0.662 0.000 0.926 351 G HN 1.897 nan 8.290 nan 0.000 0.581 352 V N -2.647 117.158 119.914 -0.183 0.000 2.626 352 V HA 0.063 4.228 4.120 0.075 0.000 0.252 352 V C 1.831 177.793 176.094 -0.221 0.000 1.067 352 V CA 2.601 64.780 62.300 -0.202 0.000 1.081 352 V CB -0.606 31.057 31.823 -0.267 0.000 0.686 352 V HN 0.738 nan 8.190 nan 0.000 0.468 353 H N 0.172 119.202 119.070 -0.066 0.000 2.517 353 H HA 0.320 4.906 4.556 0.050 0.000 0.282 353 H C 0.983 176.350 175.328 0.065 0.000 1.023 353 H CA -0.051 56.018 56.048 0.035 0.000 1.169 353 H CB 0.278 30.047 29.762 0.011 0.000 1.454 353 H HN 0.624 nan 8.280 nan 0.000 0.556 354 Q N 1.014 120.865 119.800 0.085 0.000 2.349 354 Q HA -0.023 4.362 4.340 0.075 0.000 0.287 354 Q C 0.055 176.094 176.000 0.065 0.000 1.044 354 Q CA -0.120 55.726 55.803 0.072 0.000 0.918 354 Q CB 0.718 29.439 28.738 -0.028 0.000 1.242 354 Q HN 0.380 nan 8.270 nan 0.000 0.405 355 C N 5.703 125.059 119.300 0.093 0.000 2.106 355 C HA -0.121 4.384 4.460 0.075 0.000 0.402 355 C C 1.844 176.764 174.990 -0.118 0.000 1.548 355 C CA -0.249 58.785 59.018 0.027 0.000 1.432 355 C CB -1.377 26.410 27.740 0.078 0.000 2.584 355 C HN 1.002 nan 8.230 nan 0.000 0.604 356 L N 6.308 127.460 121.223 -0.119 0.000 2.083 356 L HA 0.139 4.524 4.340 0.075 0.000 0.209 356 L C 2.242 178.847 176.870 -0.442 0.000 1.083 356 L CA 2.511 57.181 54.840 -0.283 0.000 0.752 356 L CB -0.723 41.130 42.059 -0.344 0.000 0.899 356 L HN 0.876 nan 8.230 nan 0.000 0.433 357 G N -1.407 107.177 108.800 -0.359 0.000 2.985 357 G HA2 -0.083 3.922 3.960 0.075 0.000 0.209 357 G HA3 -0.083 3.922 3.960 0.075 0.000 0.209 357 G C 1.227 176.049 174.900 -0.130 0.000 1.165 357 G CA 0.394 45.377 45.100 -0.194 0.000 0.776 357 G HN 0.659 nan 8.290 nan 0.000 0.541 358 Q N 0.728 120.305 119.800 -0.371 0.000 2.112 358 Q HA -0.192 4.193 4.340 0.075 0.000 0.206 358 Q C 1.782 177.571 176.000 -0.351 0.000 0.987 358 Q CA 1.514 56.843 55.803 -0.790 0.000 0.858 358 Q CB -0.446 27.408 28.738 -1.474 0.000 0.905 358 Q HN 0.263 nan 8.270 nan 0.000 0.420 359 N N 0.566 119.166 118.700 -0.166 0.000 2.331 359 N HA -0.068 4.717 4.740 0.075 0.000 0.180 359 N C 1.730 177.259 175.510 0.031 0.000 1.019 359 N CA 0.732 53.757 53.050 -0.042 0.000 0.881 359 N CB -0.154 38.323 38.487 -0.017 0.000 0.972 359 N HN 0.217 nan 8.380 nan 0.000 0.435 360 L N 1.450 122.721 121.223 0.081 0.000 2.046 360 L HA -0.002 4.383 4.340 0.075 0.000 0.208 360 L C 2.118 179.044 176.870 0.092 0.000 1.077 360 L CA 1.412 56.316 54.840 0.107 0.000 0.747 360 L CB -0.997 41.180 42.059 0.196 0.000 0.896 360 L HN 0.092 nan 8.230 nan 0.000 0.432 361 A N -0.442 122.438 122.820 0.100 0.000 1.908 361 A HA -0.242 4.123 4.320 0.075 0.000 0.218 361 A C 2.445 180.112 177.584 0.138 0.000 1.181 361 A CA 1.946 54.069 52.037 0.142 0.000 0.627 361 A CB -0.537 18.618 19.000 0.259 0.000 0.818 361 A HN 0.498 nan 8.150 nan 0.000 0.445 362 R N -1.225 119.355 120.500 0.133 0.000 2.075 362 R HA -0.070 4.315 4.340 0.075 0.000 0.232 362 R C 2.159 178.508 176.300 0.081 0.000 1.126 362 R CA 1.342 57.519 56.100 0.127 0.000 0.963 362 R CB -0.529 29.841 30.300 0.117 0.000 0.858 362 R HN 0.515 nan 8.270 nan 0.000 0.435 363 L N 1.649 122.911 121.223 0.064 0.000 1.989 363 L HA -0.188 4.197 4.340 0.075 0.000 0.211 363 L C 1.688 178.585 176.870 0.045 0.000 1.071 363 L CA 1.895 56.764 54.840 0.050 0.000 0.749 363 L CB -0.363 41.721 42.059 0.041 0.000 0.890 363 L HN 0.132 nan 8.230 nan 0.000 0.431 364 E N -0.458 119.768 120.200 0.044 0.000 2.085 364 E HA -0.235 4.160 4.350 0.075 0.000 0.194 364 E C 2.239 178.852 176.600 0.022 0.000 0.994 364 E CA 1.723 58.137 56.400 0.023 0.000 0.801 364 E CB -0.326 29.382 29.700 0.013 0.000 0.743 364 E HN 0.537 nan 8.360 nan 0.000 0.453 365 L N 1.004 122.251 121.223 0.040 0.000 2.109 365 L HA -0.140 4.245 4.340 0.075 0.000 0.207 365 L C 2.727 179.624 176.870 0.045 0.000 1.086 365 L CA 0.781 55.645 54.840 0.039 0.000 0.760 365 L CB -0.375 41.712 42.059 0.047 0.000 0.910 365 L HN 0.148 nan 8.230 nan 0.000 0.437 366 E N 0.843 121.073 120.200 0.049 0.000 2.031 366 E HA -0.188 4.207 4.350 0.075 0.000 0.193 366 E C 2.192 178.823 176.600 0.052 0.000 0.994 366 E CA 1.842 58.271 56.400 0.049 0.000 0.800 366 E CB -0.075 29.654 29.700 0.048 0.000 0.752 366 E HN 0.278 nan 8.360 nan 0.000 0.447 367 V N 1.699 121.642 119.914 0.048 0.000 2.287 367 V HA -0.280 3.885 4.120 0.075 0.000 0.248 367 V C 2.706 178.828 176.094 0.047 0.000 1.053 367 V CA 1.929 64.258 62.300 0.049 0.000 1.027 367 V CB -0.522 31.325 31.823 0.040 0.000 0.646 367 V HN 0.266 nan 8.190 nan 0.000 0.447 368 I N -0.614 119.990 120.570 0.056 0.000 2.179 368 I HA -0.270 3.946 4.170 0.075 0.000 0.242 368 I C 2.362 178.558 176.117 0.131 0.000 1.088 368 I CA 1.651 63.025 61.300 0.123 0.000 1.357 368 I CB -0.324 37.728 38.000 0.087 0.000 1.051 368 I HN 0.253 nan 8.210 nan 0.000 0.409 369 L N 0.234 121.515 121.223 0.097 0.000 2.017 369 L HA -0.234 4.151 4.340 0.075 0.000 0.208 369 L C 2.382 179.313 176.870 0.102 0.000 1.073 369 L CA 1.328 56.232 54.840 0.107 0.000 0.745 369 L CB -0.811 41.302 42.059 0.090 0.000 0.894 369 L HN 0.331 nan 8.230 nan 0.000 0.432 370 N N 0.217 118.964 118.700 0.078 0.000 2.104 370 N HA -0.175 4.610 4.740 0.075 0.000 0.190 370 N C 1.823 177.373 175.510 0.067 0.000 1.024 370 N CA 1.645 54.736 53.050 0.069 0.000 0.853 370 N CB -0.193 38.336 38.487 0.069 0.000 1.008 370 N HN 0.339 nan 8.380 nan 0.000 0.424 371 A N 1.164 124.011 122.820 0.045 0.000 1.898 371 A HA -0.023 4.343 4.320 0.075 0.000 0.216 371 A C 2.437 180.010 177.584 -0.019 0.000 1.181 371 A CA 0.774 52.807 52.037 -0.006 0.000 0.620 371 A CB -0.638 18.214 19.000 -0.246 0.000 0.819 371 A HN 0.196 nan 8.150 nan 0.000 0.442 372 L N -1.064 120.152 121.223 -0.012 0.000 2.056 372 L HA -0.199 4.186 4.340 0.075 0.000 0.207 372 L C 2.863 179.730 176.870 -0.006 0.000 1.078 372 L CA 1.478 56.288 54.840 -0.049 0.000 0.749 372 L CB -0.461 41.608 42.059 0.017 0.000 0.901 372 L HN 0.433 nan 8.230 nan 0.000 0.433 373 M N -0.775 118.846 119.600 0.035 0.000 2.175 373 M HA -0.194 4.331 4.480 0.075 0.000 0.264 373 M C 1.708 177.993 176.300 -0.025 0.000 1.063 373 M CA 1.457 56.745 55.300 -0.019 0.000 1.119 373 M CB -0.512 32.069 32.600 -0.033 0.000 1.377 373 M HN 0.185 nan 8.290 nan 0.000 0.415 374 D N 0.159 120.564 120.400 0.008 0.000 2.084 374 D HA -0.080 4.605 4.640 0.075 0.000 0.196 374 D C 2.180 178.484 176.300 0.008 0.000 0.985 374 D CA 1.178 55.191 54.000 0.022 0.000 0.826 374 D CB -0.108 40.739 40.800 0.078 0.000 0.978 374 D HN 0.237 nan 8.370 nan 0.000 0.456 375 R N -0.345 120.153 120.500 -0.004 0.000 2.237 375 R HA 0.175 4.560 4.340 0.075 0.000 0.195 375 R C 0.401 176.640 176.300 -0.102 0.000 0.956 375 R CA 0.142 56.222 56.100 -0.034 0.000 1.029 375 R CB 0.888 31.172 30.300 -0.027 0.000 0.972 375 R HN 0.028 nan 8.270 nan 0.000 0.493 376 V N 3.666 123.508 119.914 -0.121 0.000 2.570 376 V HA 0.193 4.358 4.120 0.075 0.000 0.271 376 V C -2.118 173.955 176.094 -0.035 0.000 1.005 376 V CA -1.353 60.863 62.300 -0.141 0.000 1.111 376 V CB 1.597 33.196 31.823 -0.373 0.000 1.259 376 V HN -0.052 nan 8.190 nan 0.000 0.571 377 P HA -0.089 nan 4.420 nan 0.000 0.222 377 P C 1.150 178.466 177.300 0.027 0.000 1.147 377 P CA 1.635 64.722 63.100 -0.022 0.000 0.790 377 P CB -0.119 31.559 31.700 -0.036 0.000 0.780 378 T N -3.752 110.856 114.554 0.089 0.000 3.163 378 T HA 0.198 4.593 4.350 0.075 0.000 0.252 378 T C 0.598 175.424 174.700 0.211 0.000 1.056 378 T CA -0.596 61.592 62.100 0.146 0.000 0.947 378 T CB -0.802 68.182 68.868 0.194 0.000 1.016 378 T HN -0.148 nan 8.240 nan 0.000 0.554 379 L N 3.538 124.873 121.223 0.187 0.000 2.525 379 L HA 0.311 4.697 4.340 0.075 0.000 0.278 379 L C 0.358 177.349 176.870 0.201 0.000 1.218 379 L CA 0.511 55.479 54.840 0.215 0.000 0.878 379 L CB 0.094 42.230 42.059 0.128 0.000 1.127 379 L HN 0.570 nan 8.230 nan 0.000 0.492 380 R N 4.251 124.870 120.500 0.199 0.000 2.710 380 R HA 0.524 4.910 4.340 0.075 0.000 0.270 380 R C -1.600 174.778 176.300 0.130 0.000 1.021 380 R CA -1.105 55.083 56.100 0.147 0.000 0.889 380 R CB 0.626 31.000 30.300 0.123 0.000 1.243 380 R HN 0.523 nan 8.270 nan 0.000 0.464 381 L N 1.504 122.786 121.223 0.098 0.000 2.461 381 L HA 0.243 4.628 4.340 0.075 0.000 0.272 381 L C 1.213 178.120 176.870 0.062 0.000 1.197 381 L CA 0.139 55.027 54.840 0.080 0.000 0.836 381 L CB 1.127 43.225 42.059 0.065 0.000 1.105 381 L HN 1.023 nan 8.230 nan 0.000 0.477 382 A N 3.099 125.949 122.820 0.050 0.000 2.308 382 A HA 0.340 4.705 4.320 0.075 0.000 0.217 382 A C 0.325 177.918 177.584 0.016 0.000 1.216 382 A CA 0.158 52.208 52.037 0.023 0.000 0.864 382 A CB 0.017 19.019 19.000 0.004 0.000 0.902 382 A HN 0.505 nan 8.150 nan 0.000 0.499 383 V N -4.933 114.995 119.914 0.023 0.000 3.141 383 V HA 0.652 4.818 4.120 0.075 0.000 0.312 383 V C -3.289 172.817 176.094 0.021 0.000 1.157 383 V CA -2.907 59.403 62.300 0.017 0.000 1.041 383 V CB 1.005 32.836 31.823 0.012 0.000 1.071 383 V HN -0.008 nan 8.190 nan 0.000 0.441 384 P HA 0.213 nan 4.420 nan 0.000 0.265 384 P C 1.050 178.358 177.300 0.014 0.000 1.193 384 P CA 0.045 63.154 63.100 0.014 0.000 0.765 384 P CB 0.898 32.602 31.700 0.006 0.000 0.823 385 V N 2.951 122.877 119.914 0.021 0.000 2.324 385 V HA -0.286 3.879 4.120 0.075 0.000 0.250 385 V C 1.869 177.960 176.094 -0.006 0.000 1.060 385 V CA 2.036 64.347 62.300 0.019 0.000 1.042 385 V CB -1.067 30.778 31.823 0.037 0.000 0.650 385 V HN 0.614 nan 8.190 nan 0.000 0.450 386 E N -0.338 119.855 120.200 -0.012 0.000 2.209 386 E HA -0.254 4.142 4.350 0.075 0.000 0.196 386 E C 2.178 178.765 176.600 -0.022 0.000 0.993 386 E CA 1.102 57.488 56.400 -0.024 0.000 0.819 386 E CB -0.229 29.459 29.700 -0.021 0.000 0.745 386 E HN 0.644 nan 8.360 nan 0.000 0.477 387 Q N -0.183 119.609 119.800 -0.012 0.000 2.432 387 Q HA 0.087 4.472 4.340 0.075 0.000 0.205 387 Q C -0.047 175.947 176.000 -0.011 0.000 0.945 387 Q CA -0.078 55.718 55.803 -0.011 0.000 0.924 387 Q CB 0.187 28.922 28.738 -0.005 0.000 1.016 387 Q HN 0.263 nan 8.270 nan 0.000 0.503 388 L N 0.690 121.907 121.223 -0.010 0.000 2.483 388 L HA 0.053 4.438 4.340 0.075 0.000 0.276 388 L C -0.179 176.678 176.870 -0.022 0.000 1.213 388 L CA -0.285 54.549 54.840 -0.010 0.000 0.843 388 L CB 0.453 42.510 42.059 -0.003 0.000 1.107 388 L HN -0.150 nan 8.230 nan 0.000 0.487 389 V N 4.518 124.420 119.914 -0.021 0.000 2.350 389 V HA 0.294 4.460 4.120 0.075 0.000 0.276 389 V C 0.264 176.336 176.094 -0.036 0.000 1.028 389 V CA -0.435 61.847 62.300 -0.030 0.000 0.860 389 V CB 1.204 33.012 31.823 -0.025 0.000 0.990 389 V HN 0.446 nan 8.190 nan 0.000 0.453 390 L N 5.442 126.635 121.223 -0.050 0.000 2.326 390 L HA 0.545 4.931 4.340 0.075 0.000 0.278 390 L C 0.739 177.572 176.870 -0.062 0.000 1.092 390 L CA -0.638 54.167 54.840 -0.059 0.000 0.810 390 L CB 0.614 42.624 42.059 -0.081 0.000 1.153 390 L HN 0.544 nan 8.230 nan 0.000 0.439 391 R N 2.705 123.171 120.500 -0.058 0.000 2.734 391 R HA 0.161 4.547 4.340 0.075 0.000 0.266 391 R C -2.075 174.178 176.300 -0.078 0.000 1.044 391 R CA -1.165 54.899 56.100 -0.060 0.000 1.128 391 R CB -0.136 30.133 30.300 -0.052 0.000 1.010 391 R HN 0.433 nan 8.270 nan 0.000 0.461 392 P HA 0.010 nan 4.420 nan 0.000 0.277 392 P C 0.213 177.444 177.300 -0.115 0.000 1.276 392 P CA -0.295 62.745 63.100 -0.101 0.000 0.788 392 P CB 0.471 32.118 31.700 -0.088 0.000 1.114 393 G N -0.779 107.932 108.800 -0.150 0.000 2.679 393 G HA2 -0.122 3.883 3.960 0.075 0.000 0.212 393 G HA3 -0.122 3.883 3.960 0.075 0.000 0.212 393 G C 1.065 175.884 174.900 -0.136 0.000 1.137 393 G CA 0.802 45.803 45.100 -0.165 0.000 0.787 393 G HN 0.631 nan 8.290 nan 0.000 0.534 394 T N -2.874 111.610 114.554 -0.116 0.000 3.148 394 T HA 0.245 4.641 4.350 0.075 0.000 0.253 394 T C 0.899 175.566 174.700 -0.054 0.000 1.134 394 T CA 0.738 62.781 62.100 -0.095 0.000 1.051 394 T CB 0.409 69.218 68.868 -0.099 0.000 0.959 394 T HN 0.143 nan 8.240 nan 0.000 0.525 395 T N 0.217 114.741 114.554 -0.050 0.000 2.693 395 T HA 0.607 5.002 4.350 0.075 0.000 0.278 395 T C -0.856 173.831 174.700 -0.023 0.000 0.994 395 T CA -1.168 60.915 62.100 -0.028 0.000 1.033 395 T CB 0.927 69.775 68.868 -0.033 0.000 1.342 395 T HN 0.219 nan 8.240 nan 0.000 0.538 396 I N 3.266 123.825 120.570 -0.019 0.000 2.668 396 I HA 0.102 4.318 4.170 0.075 0.000 0.285 396 I C 0.879 176.977 176.117 -0.033 0.000 1.168 396 I CA -0.425 60.863 61.300 -0.021 0.000 1.424 396 I CB 0.553 38.536 38.000 -0.028 0.000 1.377 396 I HN 0.513 nan 8.210 nan 0.000 0.560 397 Q N 4.620 124.400 119.800 -0.033 0.000 2.421 397 Q HA 0.494 4.879 4.340 0.075 0.000 0.255 397 Q C 0.498 176.475 176.000 -0.038 0.000 1.013 397 Q CA 0.237 56.015 55.803 -0.043 0.000 0.895 397 Q CB 1.236 29.947 28.738 -0.044 0.000 1.271 397 Q HN 0.977 nan 8.270 nan 0.000 0.460 398 G N -0.952 107.824 108.800 -0.040 0.000 2.340 398 G HA2 0.236 4.241 3.960 0.075 0.000 0.282 398 G HA3 0.236 4.241 3.960 0.075 0.000 0.282 398 G C -1.355 173.528 174.900 -0.028 0.000 1.312 398 G CA -0.334 44.749 45.100 -0.028 0.000 0.942 398 G HN 0.797 nan 8.290 nan 0.000 0.495 399 V N -2.390 117.514 119.914 -0.016 0.000 2.735 399 V HA 0.745 4.910 4.120 0.075 0.000 0.310 399 V C 0.440 176.530 176.094 -0.006 0.000 1.061 399 V CA -0.823 61.469 62.300 -0.012 0.000 0.913 399 V CB 1.979 33.802 31.823 -0.001 0.000 1.005 399 V HN 0.615 nan 8.190 nan 0.000 0.428 400 N N 1.530 120.225 118.700 -0.007 0.000 2.422 400 N HA 0.130 4.915 4.740 0.075 0.000 0.181 400 N C 0.207 175.722 175.510 0.008 0.000 1.080 400 N CA 0.604 53.653 53.050 -0.002 0.000 0.893 400 N CB 0.419 38.901 38.487 -0.008 0.000 0.973 400 N HN 0.932 nan 8.380 nan 0.000 0.456 401 E N 0.085 120.291 120.200 0.011 0.000 2.314 401 E HA 0.362 4.758 4.350 0.075 0.000 0.272 401 E C -1.737 174.880 176.600 0.029 0.000 0.884 401 E CA -0.644 55.769 56.400 0.022 0.000 0.753 401 E CB 1.572 31.282 29.700 0.017 0.000 1.213 401 E HN -0.159 nan 8.360 nan 0.000 0.432 402 L N 5.580 126.829 121.223 0.044 0.000 2.514 402 L HA 0.437 4.822 4.340 0.075 0.000 0.257 402 L C -2.772 174.138 176.870 0.067 0.000 1.101 402 L CA -1.827 53.045 54.840 0.053 0.000 0.911 402 L CB 1.477 43.573 42.059 0.062 0.000 1.162 402 L HN 0.330 nan 8.230 nan 0.000 0.477 403 P HA 0.216 nan 4.420 nan 0.000 0.266 403 P C -0.916 176.431 177.300 0.079 0.000 1.215 403 P CA 0.186 63.321 63.100 0.058 0.000 0.763 403 P CB 0.789 32.509 31.700 0.034 0.000 0.806 404 V N 0.671 120.655 119.914 0.116 0.000 3.040 404 V HA 0.919 5.085 4.120 0.075 0.000 0.312 404 V C -0.394 175.797 176.094 0.162 0.000 1.115 404 V CA -0.568 61.833 62.300 0.168 0.000 0.998 404 V CB 2.148 34.111 31.823 0.234 0.000 1.042 404 V HN 0.491 nan 8.190 nan 0.000 0.433 405 T N 1.022 115.680 114.554 0.172 0.000 2.754 405 T HA 0.879 5.274 4.350 0.075 0.000 0.296 405 T C -1.973 172.888 174.700 0.268 0.000 1.205 405 T CA 0.092 62.172 62.100 -0.032 0.000 1.009 405 T CB 1.839 70.601 68.868 -0.176 0.000 1.368 405 T HN 1.638 nan 8.240 nan 0.000 0.509 406 W N -0.180 121.137 121.300 0.027 0.000 2.881 406 W HA 0.576 5.281 4.660 0.075 0.000 0.380 406 W C -1.591 174.987 176.519 0.097 0.000 1.170 406 W CA -1.005 56.379 57.345 0.063 0.000 1.171 406 W CB -0.047 29.443 29.460 0.050 0.000 1.464 406 W HN 0.848 nan 8.180 nan 0.000 0.574 407 H N 1.761 121.001 119.070 0.284 0.000 3.017 407 H HA 0.197 4.798 4.556 0.075 0.000 0.276 407 H C 0.485 175.986 175.328 0.287 0.000 1.062 407 H CA 0.711 56.866 56.048 0.179 0.000 1.486 407 H CB -0.043 29.816 29.762 0.160 0.000 1.507 407 H HN 0.492 nan 8.280 nan 0.000 0.508 408 H N 0.000 118.849 119.070 -0.369 0.000 2.539 408 H HA 0.000 4.601 4.556 0.075 0.000 0.296 408 H CA 0.000 55.934 56.048 -0.191 0.000 1.023 408 H CB 0.000 29.601 29.762 -0.269 0.000 1.292 408 H HN 0.000 nan 8.280 nan 0.000 0.496