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 2wgq_1_B DATA FIRST_RESID 5 DATA SEQUENCE AHMVPMDKTL KEFGADVQWD DYAQLFTLIK DGAYVKVKPG AQTAIVNGQP DATA SEQUENCE LALQVPVVMK DNKAWVSDTF INDVFQSGLD QTFQVEKRPH PLNALTADEI DATA SEQUENCE KQAVEIVKAS ADFKPNTRFT EISLLPPDKE AVWAFALENK PVDQPRKADV DATA SEQUENCE IMLDGKHIIE AVVDLQNNKL LSWQPIKDAH GMVLLDDFAS VQNIINNSEE DATA SEQUENCE FAAAVKKRGI TDAKKVITTP LTVGYFDGKD GLKQDARLLK VISYLDVGDG DATA SEQUENCE NYWAHPIENL VAVVDLEQKK IVKIEEGPVV PVPMTARPFD GRDRVAPAVK DATA SEQUENCE PMQIIEPEGK NYTITGDMIH WRNWDFHLSM NSRVGPMIST VTYNDNGTKR DATA SEQUENCE KVMYEGSLGG MIVPYGDPDI GWYFKAYLDS GDYGMGTLTS PIARGKDAPS DATA SEQUENCE NAVLLNETIA DYTGVPMEIP RAIAVFERYA GPEYKHQEMG QPNVSTERRE DATA SEQUENCE LVVRWISTVG NYDYIFDWIF HENGTIGIDA GATGIEAVKG VKAKTMHDET DATA SEQUENCE AKDDTRYGTL IDHNIVGTTH QHIYNFRLDL DVDGENNSLV AMDPVVKPNT DATA SEQUENCE AGGPRTSTMQ VNQYNIGNEQ DAAQKFDPGT IRLLSNPNKE NRMGNPVSYQ DATA SEQUENCE IIPYAGGTHP VAKGAQFAPD EWIYHRLSFM DKQLWVTRYH PGERFPEGKY DATA SEQUENCE PNRSTHDTGL GQYSKDNESL DNTDAVVWMT TGTTHVARAE EWPIMPTEWV DATA SEQUENCE HTLLKPWNFF DETPTLGALK KDK 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 5 A HA 0.000 nan 4.320 nan 0.000 0.244 5 A C 0.000 177.443 177.584 -0.235 0.000 1.274 5 A CA 0.000 51.873 52.037 -0.273 0.000 0.836 5 A CB 0.000 18.933 19.000 -0.112 0.000 0.831 6 H N 1.899 120.958 119.070 -0.018 0.000 2.830 6 H HA 0.274 4.830 4.556 0.001 0.000 0.382 6 H C 0.869 176.199 175.328 0.003 0.000 1.423 6 H CA 0.612 56.641 56.048 -0.031 0.000 1.464 6 H CB 0.330 30.065 29.762 -0.045 0.000 1.495 6 H HN 0.711 nan 8.280 nan 0.000 0.617 7 M N 0.072 119.755 119.600 0.138 0.000 2.082 7 M HA 0.307 4.788 4.480 0.001 0.000 0.218 7 M C -0.015 176.431 176.300 0.243 0.000 1.175 7 M CA -0.533 54.853 55.300 0.143 0.000 0.985 7 M CB 1.085 33.753 32.600 0.113 0.000 1.250 7 M HN 0.260 nan 8.290 nan 0.000 0.547 8 V N 1.576 121.644 119.914 0.257 0.000 2.789 8 V HA 0.509 4.630 4.120 0.001 0.000 0.311 8 V C -2.424 173.747 176.094 0.128 0.000 1.073 8 V CA -2.123 60.306 62.300 0.215 0.000 0.921 8 V CB 2.531 34.407 31.823 0.089 0.000 1.009 8 V HN 0.553 nan 8.190 nan 0.000 0.426 9 P HA 0.117 nan 4.420 nan 0.000 0.271 9 P C 0.681 177.732 177.300 -0.416 0.000 1.233 9 P CA 0.094 62.783 63.100 -0.685 0.000 0.764 9 P CB 0.924 32.095 31.700 -0.881 0.000 0.825 10 M N 2.855 122.188 119.600 -0.445 0.000 2.126 10 M HA -0.234 4.246 4.480 0.001 0.000 0.259 10 M C 1.611 177.742 176.300 -0.281 0.000 1.073 10 M CA 2.497 57.574 55.300 -0.372 0.000 1.103 10 M CB -0.894 31.394 32.600 -0.520 0.000 1.284 10 M HN 0.320 nan 8.290 nan 0.000 0.420 11 D N -0.075 120.155 120.400 -0.283 0.000 2.158 11 D HA -0.250 4.391 4.640 0.001 0.000 0.197 11 D C 1.780 178.008 176.300 -0.120 0.000 0.995 11 D CA 1.926 55.830 54.000 -0.159 0.000 0.846 11 D CB -0.040 40.687 40.800 -0.122 0.000 0.941 11 D HN 0.238 nan 8.370 nan 0.000 0.456 12 K N -0.496 119.806 120.400 -0.163 0.000 1.985 12 K HA -0.085 4.236 4.320 0.001 0.000 0.210 12 K C 2.014 178.576 176.600 -0.064 0.000 1.047 12 K CA 2.222 58.439 56.287 -0.116 0.000 0.932 12 K CB -0.792 31.616 32.500 -0.154 0.000 0.716 12 K HN 0.120 nan 8.250 nan 0.000 0.439 13 T N 1.297 115.810 114.554 -0.068 0.000 2.881 13 T HA -0.069 4.282 4.350 0.001 0.000 0.270 13 T C 1.764 176.484 174.700 0.032 0.000 1.068 13 T CA 1.295 63.385 62.100 -0.018 0.000 1.131 13 T CB -0.154 68.697 68.868 -0.027 0.000 0.871 13 T HN 0.103 nan 8.240 nan 0.000 0.479 14 L N 0.273 121.508 121.223 0.020 0.000 2.072 14 L HA -0.034 4.306 4.340 0.001 0.000 0.205 14 L C 2.770 179.695 176.870 0.091 0.000 1.079 14 L CA 1.027 55.917 54.840 0.084 0.000 0.752 14 L CB -0.343 41.752 42.059 0.060 0.000 0.906 14 L HN 0.111 nan 8.230 nan 0.000 0.436 15 K N -0.101 120.320 120.400 0.035 0.000 2.057 15 K HA -0.154 4.167 4.320 0.001 0.000 0.207 15 K C 1.971 178.580 176.600 0.013 0.000 1.049 15 K CA 1.024 57.320 56.287 0.014 0.000 0.931 15 K CB -0.215 32.285 32.500 -0.001 0.000 0.714 15 K HN 0.246 nan 8.250 nan 0.000 0.440 16 E N 0.657 120.877 120.200 0.033 0.000 2.038 16 E HA -0.186 4.165 4.350 0.001 0.000 0.195 16 E C 1.788 178.421 176.600 0.055 0.000 1.000 16 E CA 1.028 57.451 56.400 0.038 0.000 0.803 16 E CB -0.585 29.145 29.700 0.050 0.000 0.750 16 E HN 0.315 nan 8.360 nan 0.000 0.448 17 F N 0.392 120.293 119.950 -0.082 0.000 2.451 17 F HA 0.075 4.602 4.527 0.001 0.000 0.299 17 F C 1.286 177.005 175.800 -0.136 0.000 1.101 17 F CA 1.554 59.484 58.000 -0.116 0.000 1.436 17 F CB 0.179 39.085 39.000 -0.155 0.000 1.074 17 F HN 0.159 nan 8.300 nan 0.000 0.553 18 G N 0.342 109.006 108.800 -0.228 0.000 2.131 18 G HA2 -0.055 3.906 3.960 0.001 0.000 0.223 18 G HA3 -0.055 3.906 3.960 0.001 0.000 0.223 18 G C 0.207 174.958 174.900 -0.249 0.000 0.990 18 G CA -0.051 44.889 45.100 -0.267 0.000 0.671 18 G HN 0.852 nan 8.290 nan 0.000 0.521 19 A N -0.280 122.440 122.820 -0.167 0.000 2.316 19 A HA 0.661 4.982 4.320 0.001 0.000 0.284 19 A C 0.121 177.717 177.584 0.019 0.000 1.115 19 A CA 0.339 52.331 52.037 -0.075 0.000 0.812 19 A CB 0.667 19.639 19.000 -0.047 0.000 1.064 19 A HN 0.496 nan 8.150 nan 0.000 0.489 20 D N 0.440 120.874 120.400 0.057 0.000 2.350 20 D HA 0.418 5.059 4.640 0.001 0.000 0.249 20 D C -0.737 175.633 176.300 0.117 0.000 1.119 20 D CA 0.361 54.407 54.000 0.077 0.000 0.886 20 D CB 0.847 41.695 40.800 0.080 0.000 1.195 20 D HN 0.177 nan 8.370 nan 0.000 0.437 21 V N 4.686 124.674 119.914 0.124 0.000 2.409 21 V HA 0.329 4.450 4.120 0.001 0.000 0.290 21 V C -0.419 175.804 176.094 0.214 0.000 1.017 21 V CA -0.837 61.574 62.300 0.184 0.000 0.841 21 V CB 1.257 33.181 31.823 0.168 0.000 1.003 21 V HN 0.515 nan 8.190 nan 0.000 0.426 22 Q N 3.852 123.803 119.800 0.251 0.000 2.333 22 Q HA 0.382 4.723 4.340 0.001 0.000 0.267 22 Q C -1.121 175.053 176.000 0.290 0.000 1.012 22 Q CA -0.292 55.642 55.803 0.219 0.000 0.824 22 Q CB 3.263 32.078 28.738 0.128 0.000 1.290 22 Q HN 0.902 nan 8.270 nan 0.000 0.449 23 W N 4.157 125.438 121.300 -0.033 0.000 2.532 23 W HA 0.311 4.972 4.660 0.001 0.000 0.321 23 W C -1.305 175.116 176.519 -0.164 0.000 1.037 23 W CA -0.553 56.638 57.345 -0.257 0.000 1.220 23 W CB 1.521 30.782 29.460 -0.331 0.000 1.361 23 W HN 0.514 nan 8.180 nan 0.000 0.468 24 D N 4.444 124.289 120.400 -0.926 0.000 2.472 24 D HA 0.060 4.700 4.640 0.001 0.000 0.234 24 D C 0.494 176.086 176.300 -1.180 0.000 1.088 24 D CA -0.023 53.525 54.000 -0.755 0.000 0.882 24 D CB 1.114 41.682 40.800 -0.386 0.000 1.037 24 D HN 0.526 nan 8.370 nan 0.000 0.520 25 D N 2.193 122.008 120.400 -0.974 0.000 2.144 25 D HA -0.239 4.402 4.640 0.001 0.000 0.199 25 D C 1.517 177.612 176.300 -0.340 0.000 0.984 25 D CA 1.065 54.662 54.000 -0.671 0.000 0.834 25 D CB 0.057 40.772 40.800 -0.140 0.000 0.955 25 D HN 0.504 nan 8.370 nan 0.000 0.465 26 Y N 0.641 120.743 120.300 -0.331 0.000 2.114 26 Y HA -0.107 4.444 4.550 0.001 0.000 0.284 26 Y C 2.014 177.785 175.900 -0.215 0.000 1.143 26 Y CA 1.982 59.957 58.100 -0.209 0.000 1.135 26 Y CB -0.513 37.852 38.460 -0.158 0.000 0.980 26 Y HN 0.013 nan 8.280 nan 0.000 0.499 27 A N -0.800 121.848 122.820 -0.286 0.000 2.169 27 A HA 0.001 4.321 4.320 0.001 0.000 0.212 27 A C 0.760 178.136 177.584 -0.347 0.000 1.153 27 A CA 0.740 52.589 52.037 -0.314 0.000 0.756 27 A CB -0.214 18.694 19.000 -0.153 0.000 0.813 27 A HN 0.556 nan 8.150 nan 0.000 0.471 28 Q N -2.178 117.305 119.800 -0.527 0.000 2.463 28 Q HA -0.201 4.140 4.340 0.001 0.000 0.299 28 Q C -0.786 175.001 176.000 -0.355 0.000 1.353 28 Q CA 0.957 56.458 55.803 -0.504 0.000 0.828 28 Q CB -1.991 26.679 28.738 -0.113 0.000 1.157 28 Q HN 0.604 nan 8.270 nan 0.000 0.436 29 L N -0.118 120.766 121.223 -0.566 0.000 2.406 29 L HA 0.590 4.931 4.340 0.001 0.000 0.272 29 L C -0.705 176.092 176.870 -0.122 0.000 0.980 29 L CA -0.500 54.240 54.840 -0.167 0.000 0.831 29 L CB 1.052 43.047 42.059 -0.106 0.000 1.253 29 L HN 0.017 nan 8.230 nan 0.000 0.406 30 F N 2.471 122.589 119.950 0.280 0.000 2.418 30 F HA 0.539 5.067 4.527 0.001 0.000 0.341 30 F C 0.731 176.600 175.800 0.115 0.000 1.120 30 F CA 0.208 58.374 58.000 0.277 0.000 1.232 30 F CB 1.504 40.661 39.000 0.263 0.000 1.175 30 F HN 0.391 nan 8.300 nan 0.000 0.569 31 T N 4.738 119.473 114.554 0.302 0.000 2.890 31 T HA 0.555 4.906 4.350 0.001 0.000 0.295 31 T C -0.710 174.046 174.700 0.093 0.000 0.993 31 T CA -0.601 61.545 62.100 0.077 0.000 0.979 31 T CB 0.526 69.380 68.868 -0.023 0.000 0.967 31 T HN 0.282 nan 8.240 nan 0.000 0.441 32 L N 4.429 125.681 121.223 0.049 0.000 2.341 32 L HA 0.702 5.043 4.340 0.001 0.000 0.278 32 L C -0.692 176.253 176.870 0.125 0.000 1.005 32 L CA -1.021 53.925 54.840 0.176 0.000 0.818 32 L CB 1.761 44.033 42.059 0.355 0.000 1.259 32 L HN 0.513 nan 8.230 nan 0.000 0.418 33 I N 3.332 124.007 120.570 0.174 0.000 2.498 33 I HA 0.463 4.634 4.170 0.001 0.000 0.290 33 I C -0.618 175.633 176.117 0.224 0.000 1.032 33 I CA -0.544 60.872 61.300 0.193 0.000 1.073 33 I CB 2.292 40.389 38.000 0.162 0.000 1.251 33 I HN 0.486 nan 8.210 nan 0.000 0.426 34 K N 5.961 126.530 120.400 0.280 0.000 2.651 34 K HA 0.336 4.656 4.320 0.001 0.000 0.259 34 K C -0.666 176.058 176.600 0.207 0.000 1.017 34 K CA -0.270 56.107 56.287 0.150 0.000 0.897 34 K CB 0.896 33.371 32.500 -0.041 0.000 1.262 34 K HN 0.649 nan 8.250 nan 0.000 0.460 35 D N 2.316 122.816 120.400 0.166 0.000 3.771 35 D HA -0.263 4.377 4.640 0.001 0.000 0.145 35 D C 0.915 177.359 176.300 0.240 0.000 0.892 35 D CA 2.216 56.345 54.000 0.215 0.000 1.080 35 D CB -1.025 39.928 40.800 0.256 0.000 0.498 35 D HN 0.718 nan 8.370 nan 0.000 0.499 36 G N 0.362 109.318 108.800 0.261 0.000 2.920 36 G HA2 0.360 4.320 3.960 0.001 0.000 0.208 36 G HA3 0.360 4.320 3.960 0.001 0.000 0.208 36 G C 0.341 175.361 174.900 0.200 0.000 1.159 36 G CA 0.972 46.182 45.100 0.184 0.000 0.784 36 G HN 0.633 nan 8.290 nan 0.000 0.535 37 A N 0.198 123.178 122.820 0.267 0.000 2.252 37 A HA 0.607 4.927 4.320 0.001 0.000 0.309 37 A C -1.480 176.277 177.584 0.289 0.000 1.285 37 A CA -0.655 51.533 52.037 0.253 0.000 0.900 37 A CB 0.390 19.579 19.000 0.314 0.000 1.157 37 A HN 0.287 nan 8.150 nan 0.000 0.536 38 Y N 3.450 123.807 120.300 0.094 0.000 2.402 38 Y HA 0.511 5.062 4.550 0.001 0.000 0.332 38 Y C -0.772 175.158 175.900 0.050 0.000 0.960 38 Y CA -0.432 57.723 58.100 0.092 0.000 1.228 38 Y CB 1.269 39.772 38.460 0.072 0.000 1.120 38 Y HN 0.435 nan 8.280 nan 0.000 0.491 39 V N 6.564 126.358 119.914 -0.199 0.000 2.459 39 V HA 0.447 4.568 4.120 0.001 0.000 0.295 39 V C -0.730 175.291 176.094 -0.122 0.000 1.029 39 V CA -1.147 61.069 62.300 -0.140 0.000 0.874 39 V CB 1.596 33.298 31.823 -0.200 0.000 0.985 39 V HN 0.589 nan 8.190 nan 0.000 0.438 40 K N 3.453 123.843 120.400 -0.016 0.000 2.221 40 K HA 0.836 5.157 4.320 0.001 0.000 0.258 40 K C -1.333 175.335 176.600 0.113 0.000 0.944 40 K CA -0.777 55.542 56.287 0.054 0.000 0.823 40 K CB 2.738 35.284 32.500 0.076 0.000 1.113 40 K HN 0.416 nan 8.250 nan 0.000 0.431 41 V N 2.707 122.739 119.914 0.198 0.000 2.817 41 V HA 0.263 4.384 4.120 0.001 0.000 0.303 41 V C -1.660 174.625 176.094 0.318 0.000 1.151 41 V CA -0.809 61.632 62.300 0.236 0.000 0.929 41 V CB 2.011 33.990 31.823 0.259 0.000 1.030 41 V HN 0.705 nan 8.190 nan 0.000 0.427 42 K N 6.623 127.166 120.400 0.238 0.000 2.138 42 K HA 0.582 4.902 4.320 0.001 0.000 0.263 42 K C -2.676 174.075 176.600 0.253 0.000 0.965 42 K CA -1.815 54.622 56.287 0.249 0.000 0.868 42 K CB 1.667 34.251 32.500 0.140 0.000 1.083 42 K HN 0.426 nan 8.250 nan 0.000 0.443 43 P HA -0.090 nan 4.420 nan 0.000 0.264 43 P C 0.438 177.819 177.300 0.135 0.000 1.183 43 P CA 0.960 64.189 63.100 0.215 0.000 0.763 43 P CB 0.426 32.261 31.700 0.224 0.000 0.807 44 G N 1.726 110.583 108.800 0.095 0.000 2.187 44 G HA2 -0.194 3.767 3.960 0.001 0.000 0.261 44 G HA3 -0.194 3.767 3.960 0.001 0.000 0.261 44 G C 0.471 175.412 174.900 0.067 0.000 1.000 44 G CA 0.169 45.310 45.100 0.068 0.000 0.718 44 G HN 0.847 nan 8.290 nan 0.000 0.519 45 A N -1.003 121.867 122.820 0.084 0.000 2.286 45 A HA 0.735 5.056 4.320 0.001 0.000 0.286 45 A C 1.307 178.932 177.584 0.068 0.000 1.097 45 A CA 0.343 52.425 52.037 0.076 0.000 0.821 45 A CB 0.522 19.575 19.000 0.089 0.000 1.076 45 A HN 0.184 nan 8.150 nan 0.000 0.490 46 Q N -0.177 119.656 119.800 0.055 0.000 2.096 46 Q HA -0.005 4.336 4.340 0.001 0.000 0.197 46 Q C 0.699 176.729 176.000 0.050 0.000 0.964 46 Q CA 1.838 57.669 55.803 0.046 0.000 0.838 46 Q CB -0.177 28.581 28.738 0.034 0.000 0.906 46 Q HN 0.951 nan 8.270 nan 0.000 0.444 47 T N -2.734 111.851 114.554 0.053 0.000 2.900 47 T HA 0.783 5.133 4.350 0.001 0.000 0.295 47 T C -0.716 174.020 174.700 0.061 0.000 1.044 47 T CA -0.623 61.504 62.100 0.046 0.000 0.995 47 T CB 2.289 71.175 68.868 0.029 0.000 1.072 47 T HN 0.119 nan 8.240 nan 0.000 0.473 48 A N 2.560 125.410 122.820 0.050 0.000 2.269 48 A HA 0.810 5.131 4.320 0.001 0.000 0.327 48 A C -0.292 177.303 177.584 0.018 0.000 1.112 48 A CA -1.025 51.043 52.037 0.052 0.000 0.865 48 A CB 0.510 19.538 19.000 0.047 0.000 1.227 48 A HN 0.818 nan 8.150 nan 0.000 0.498 49 I N 1.476 122.059 120.570 0.023 0.000 2.362 49 I HA 0.339 4.510 4.170 0.001 0.000 0.289 49 I C -0.717 175.399 176.117 -0.001 0.000 0.994 49 I CA -0.404 60.908 61.300 0.021 0.000 1.158 49 I CB 1.001 39.033 38.000 0.053 0.000 1.315 49 I HN 0.211 nan 8.210 nan 0.000 0.451 50 V N 6.416 126.321 119.914 -0.015 0.000 2.326 50 V HA 0.351 4.472 4.120 0.001 0.000 0.281 50 V C 0.648 176.759 176.094 0.030 0.000 1.015 50 V CA -0.724 61.561 62.300 -0.026 0.000 0.823 50 V CB 0.506 32.274 31.823 -0.093 0.000 1.009 50 V HN 0.898 nan 8.190 nan 0.000 0.436 51 N N 3.836 122.591 118.700 0.092 0.000 2.725 51 N HA -0.238 4.502 4.740 0.001 0.000 0.249 51 N C 1.069 176.613 175.510 0.058 0.000 1.103 51 N CA 0.482 53.586 53.050 0.090 0.000 0.707 51 N CB -0.693 37.828 38.487 0.055 0.000 1.043 51 N HN 1.344 nan 8.380 nan 0.000 0.553 52 G N -1.244 107.599 108.800 0.070 0.000 2.141 52 G HA2 -0.296 3.665 3.960 0.001 0.000 0.242 52 G HA3 -0.296 3.665 3.960 0.001 0.000 0.242 52 G C -0.296 174.621 174.900 0.029 0.000 0.982 52 G CA 0.251 45.380 45.100 0.048 0.000 0.662 52 G HN 0.362 nan 8.290 nan 0.000 0.527 53 Q N -0.046 119.767 119.800 0.022 0.000 2.342 53 Q HA 0.549 4.890 4.340 0.001 0.000 0.267 53 Q C -2.719 173.283 176.000 0.004 0.000 1.038 53 Q CA -1.970 53.839 55.803 0.009 0.000 0.832 53 Q CB 2.512 31.252 28.738 0.003 0.000 1.323 53 Q HN 0.229 nan 8.270 nan 0.000 0.448 54 P HA 0.302 nan 4.420 nan 0.000 0.284 54 P C -0.949 176.345 177.300 -0.010 0.000 1.253 54 P CA -0.637 62.464 63.100 0.002 0.000 0.800 54 P CB 0.661 32.365 31.700 0.007 0.000 0.961 55 L N 2.572 123.786 121.223 -0.016 0.000 2.381 55 L HA 0.710 5.050 4.340 0.001 0.000 0.274 55 L C -0.555 176.308 176.870 -0.012 0.000 0.988 55 L CA -1.038 53.784 54.840 -0.030 0.000 0.824 55 L CB 1.282 43.300 42.059 -0.069 0.000 1.263 55 L HN 0.431 nan 8.230 nan 0.000 0.410 56 A N 5.957 128.773 122.820 -0.007 0.000 2.488 56 A HA 0.540 4.861 4.320 0.001 0.000 0.249 56 A C -0.653 176.938 177.584 0.012 0.000 1.083 56 A CA -0.020 52.021 52.037 0.006 0.000 0.768 56 A CB -0.239 18.764 19.000 0.005 0.000 1.017 56 A HN 0.739 nan 8.150 nan 0.000 0.496 57 L N 2.520 123.764 121.223 0.036 0.000 2.313 57 L HA 0.307 4.648 4.340 0.001 0.000 0.283 57 L C 1.498 178.398 176.870 0.051 0.000 1.013 57 L CA -0.401 54.475 54.840 0.060 0.000 0.816 57 L CB 1.667 43.793 42.059 0.112 0.000 1.236 57 L HN 1.041 nan 8.230 nan 0.000 0.419 58 Q N 2.342 122.169 119.800 0.046 0.000 2.083 58 Q HA -0.024 4.317 4.340 0.001 0.000 0.198 58 Q C 0.010 176.035 176.000 0.043 0.000 0.969 58 Q CA 1.097 56.922 55.803 0.036 0.000 0.838 58 Q CB 0.485 29.239 28.738 0.027 0.000 0.900 58 Q HN 0.516 nan 8.270 nan 0.000 0.436 59 V N 3.758 123.708 119.914 0.061 0.000 2.275 59 V HA 0.324 4.445 4.120 0.001 0.000 0.272 59 V C -2.249 173.887 176.094 0.069 0.000 1.028 59 V CA -1.591 60.743 62.300 0.057 0.000 0.810 59 V CB 0.652 32.507 31.823 0.054 0.000 1.043 59 V HN 0.227 nan 8.190 nan 0.000 0.453 60 P HA 0.101 nan 4.420 nan 0.000 0.268 60 P C -0.047 177.263 177.300 0.017 0.000 1.208 60 P CA -0.053 63.082 63.100 0.057 0.000 0.777 60 P CB 0.499 32.230 31.700 0.052 0.000 0.875 61 V N 2.446 122.357 119.914 -0.005 0.000 2.763 61 V HA 0.027 4.147 4.120 0.001 0.000 0.306 61 V C 0.555 176.650 176.094 0.001 0.000 1.059 61 V CA 0.176 62.423 62.300 -0.088 0.000 1.138 61 V CB 0.606 32.355 31.823 -0.123 0.000 0.940 61 V HN 0.218 nan 8.190 nan 0.000 0.489 62 V N 5.756 125.673 119.914 0.006 0.000 2.459 62 V HA 0.462 4.583 4.120 0.001 0.000 0.295 62 V C -0.067 176.095 176.094 0.113 0.000 1.029 62 V CA -0.554 61.785 62.300 0.064 0.000 0.874 62 V CB 1.644 33.505 31.823 0.062 0.000 0.985 62 V HN 0.858 nan 8.190 nan 0.000 0.438 63 M N 5.893 125.548 119.600 0.092 0.000 2.149 63 M HA 0.441 4.922 4.480 0.001 0.000 0.342 63 M C 0.184 176.541 176.300 0.095 0.000 1.068 63 M CA 0.159 55.508 55.300 0.081 0.000 0.991 63 M CB 0.898 33.514 32.600 0.028 0.000 1.596 63 M HN 0.513 nan 8.290 nan 0.000 0.439 64 K N 1.778 122.273 120.400 0.159 0.000 4.047 64 K HA 0.255 4.575 4.320 0.001 0.000 0.172 64 K C -0.557 176.088 176.600 0.075 0.000 1.146 64 K CA 0.092 56.441 56.287 0.102 0.000 1.760 64 K CB 0.207 32.774 32.500 0.112 0.000 2.442 64 K HN 0.531 nan 8.250 nan 0.000 0.539 65 D N 1.973 122.425 120.400 0.088 0.000 2.741 65 D HA 0.164 4.804 4.640 0.001 0.000 0.233 65 D C -0.415 175.914 176.300 0.047 0.000 1.160 65 D CA 0.091 54.125 54.000 0.056 0.000 1.003 65 D CB -0.909 39.920 40.800 0.048 0.000 1.064 65 D HN 0.423 nan 8.370 nan 0.000 0.503 66 N N -0.205 118.508 118.700 0.022 0.000 2.863 66 N HA -0.251 4.489 4.740 0.001 0.000 0.245 66 N C 0.142 175.607 175.510 -0.075 0.000 1.001 66 N CA 0.668 53.696 53.050 -0.037 0.000 0.901 66 N CB -0.521 37.953 38.487 -0.021 0.000 1.124 66 N HN 0.233 nan 8.380 nan 0.000 0.582 67 K N 1.175 121.575 120.400 0.001 0.000 2.185 67 K HA 0.673 4.993 4.320 0.001 0.000 0.269 67 K C -0.517 176.029 176.600 -0.090 0.000 0.987 67 K CA -0.223 56.019 56.287 -0.076 0.000 0.865 67 K CB 1.175 33.696 32.500 0.036 0.000 1.090 67 K HN 0.204 nan 8.250 nan 0.000 0.450 68 A N 3.762 126.410 122.820 -0.288 0.000 2.303 68 A HA 0.647 4.968 4.320 0.001 0.000 0.317 68 A C -1.611 175.680 177.584 -0.487 0.000 1.149 68 A CA -0.561 51.345 52.037 -0.218 0.000 0.822 68 A CB 0.272 19.169 19.000 -0.171 0.000 1.131 68 A HN 0.741 nan 8.150 nan 0.000 0.493 69 W N 0.526 121.714 121.300 -0.186 0.000 3.022 69 W HA 0.548 5.209 4.660 0.001 0.000 0.335 69 W C -0.472 175.896 176.519 -0.253 0.000 1.133 69 W CA -0.561 56.675 57.345 -0.182 0.000 1.219 69 W CB 1.822 31.213 29.460 -0.115 0.000 1.409 69 W HN 0.698 nan 8.180 nan 0.000 0.507 70 V N -0.908 118.966 119.914 -0.066 0.000 3.141 70 V HA 0.693 4.814 4.120 0.001 0.000 0.312 70 V C 0.202 176.280 176.094 -0.026 0.000 1.157 70 V CA -1.333 60.836 62.300 -0.220 0.000 1.041 70 V CB 1.194 32.643 31.823 -0.624 0.000 1.071 70 V HN 0.433 nan 8.190 nan 0.000 0.441 71 S N 1.568 117.277 115.700 0.016 0.000 2.559 71 S HA 0.003 4.474 4.470 0.001 0.000 0.282 71 S C 1.121 175.780 174.600 0.098 0.000 1.336 71 S CA 0.596 58.846 58.200 0.085 0.000 1.037 71 S CB 0.303 63.579 63.200 0.126 0.000 0.853 71 S HN 1.161 nan 8.310 nan 0.000 0.523 72 D N 1.238 121.683 120.400 0.076 0.000 2.265 72 D HA -0.132 4.509 4.640 0.001 0.000 0.208 72 D C 1.395 177.730 176.300 0.058 0.000 0.977 72 D CA 1.596 55.633 54.000 0.062 0.000 0.871 72 D CB -0.757 40.071 40.800 0.045 0.000 0.925 72 D HN 0.593 nan 8.370 nan 0.000 0.485 73 T N -3.941 110.657 114.554 0.074 0.000 3.122 73 T HA 0.152 4.502 4.350 0.001 0.000 0.250 73 T C 1.379 176.119 174.700 0.067 0.000 1.067 73 T CA -0.593 61.538 62.100 0.051 0.000 0.966 73 T CB -0.756 68.133 68.868 0.035 0.000 1.002 73 T HN 0.122 nan 8.240 nan 0.000 0.542 74 F N 1.893 121.819 119.950 -0.040 0.000 2.098 74 F HA 0.200 4.727 4.527 0.001 0.000 0.294 74 F C 1.857 177.636 175.800 -0.035 0.000 1.107 74 F CA 0.850 58.828 58.000 -0.038 0.000 1.234 74 F CB -0.206 38.773 39.000 -0.035 0.000 1.002 74 F HN 0.044 nan 8.300 nan 0.000 0.472 75 I N 0.733 121.309 120.570 0.011 0.000 2.118 75 I HA -0.404 3.767 4.170 0.001 0.000 0.241 75 I C 2.473 178.484 176.117 -0.177 0.000 1.070 75 I CA 1.940 63.142 61.300 -0.164 0.000 1.327 75 I CB -0.727 36.986 38.000 -0.478 0.000 1.034 75 I HN 0.365 nan 8.210 nan 0.000 0.405 76 N N 0.654 119.262 118.700 -0.153 0.000 2.120 76 N HA -0.203 4.538 4.740 0.001 0.000 0.188 76 N C 1.399 176.848 175.510 -0.102 0.000 1.024 76 N CA 1.645 54.639 53.050 -0.094 0.000 0.852 76 N CB -0.017 38.435 38.487 -0.059 0.000 1.003 76 N HN 0.278 nan 8.380 nan 0.000 0.424 77 D N 0.193 120.502 120.400 -0.152 0.000 2.117 77 D HA -0.080 4.561 4.640 0.001 0.000 0.198 77 D C 2.088 178.233 176.300 -0.258 0.000 0.982 77 D CA 0.648 54.547 54.000 -0.168 0.000 0.828 77 D CB -0.200 40.510 40.800 -0.151 0.000 0.967 77 D HN 0.081 nan 8.370 nan 0.000 0.464 78 V N 0.102 119.741 119.914 -0.459 0.000 2.273 78 V HA -0.157 3.964 4.120 0.001 0.000 0.242 78 V C 2.102 177.901 176.094 -0.492 0.000 1.035 78 V CA 1.296 63.224 62.300 -0.619 0.000 1.013 78 V CB -0.523 30.631 31.823 -1.116 0.000 0.652 78 V HN 0.058 nan 8.190 nan 0.000 0.452 79 F N -0.298 119.532 119.950 -0.200 0.000 2.149 79 F HA -0.037 4.491 4.527 0.001 0.000 0.294 79 F C 2.085 177.888 175.800 0.004 0.000 1.095 79 F CA 0.825 58.803 58.000 -0.038 0.000 1.276 79 F CB -0.356 38.691 39.000 0.079 0.000 1.023 79 F HN 0.083 nan 8.300 nan 0.000 0.480 80 Q N 0.193 120.066 119.800 0.121 0.000 2.292 80 Q HA 0.037 4.377 4.340 0.001 0.000 0.247 80 Q C 1.850 177.860 176.000 0.018 0.000 0.911 80 Q CA 0.053 55.899 55.803 0.072 0.000 0.948 80 Q CB -0.049 28.716 28.738 0.045 0.000 1.093 80 Q HN 0.196 nan 8.270 nan 0.000 0.428 81 S N -0.953 114.742 115.700 -0.008 0.000 2.357 81 S HA 0.017 4.488 4.470 0.001 0.000 0.221 81 S C 1.632 176.226 174.600 -0.009 0.000 1.031 81 S CA 1.402 59.577 58.200 -0.042 0.000 0.982 81 S CB -0.026 63.118 63.200 -0.092 0.000 0.853 81 S HN 0.643 nan 8.310 nan 0.000 0.458 82 G N 0.269 109.080 108.800 0.018 0.000 2.232 82 G HA2 -0.197 3.764 3.960 0.001 0.000 0.226 82 G HA3 -0.197 3.764 3.960 0.001 0.000 0.226 82 G C 0.805 175.717 174.900 0.021 0.000 0.996 82 G CA 0.353 45.470 45.100 0.028 0.000 0.626 82 G HN 0.497 nan 8.290 nan 0.000 0.509 83 L N 0.917 122.141 121.223 0.003 0.000 2.275 83 L HA 0.165 4.505 4.340 0.001 0.000 0.215 83 L C 1.120 178.001 176.870 0.019 0.000 1.119 83 L CA 0.976 55.817 54.840 0.001 0.000 0.790 83 L CB -0.090 41.956 42.059 -0.021 0.000 0.919 83 L HN 0.279 nan 8.230 nan 0.000 0.443 84 D N 0.100 120.523 120.400 0.039 0.000 2.316 84 D HA 0.043 4.684 4.640 0.001 0.000 0.245 84 D C 0.604 176.957 176.300 0.088 0.000 1.171 84 D CA 0.023 54.068 54.000 0.076 0.000 0.856 84 D CB 1.063 41.939 40.800 0.126 0.000 1.090 84 D HN 0.089 nan 8.370 nan 0.000 0.476 85 Q N 2.235 122.069 119.800 0.055 0.000 2.282 85 Q HA 0.025 4.366 4.340 0.001 0.000 0.206 85 Q C 1.344 177.360 176.000 0.026 0.000 0.878 85 Q CA 0.124 55.952 55.803 0.042 0.000 0.944 85 Q CB 0.446 29.191 28.738 0.012 0.000 1.100 85 Q HN 0.524 nan 8.270 nan 0.000 0.509 86 T N 1.015 115.577 114.554 0.013 0.000 2.653 86 T HA -0.136 4.215 4.350 0.001 0.000 0.268 86 T C 0.400 174.943 174.700 -0.262 0.000 1.035 86 T CA 1.321 63.336 62.100 -0.143 0.000 1.154 86 T CB -0.154 68.635 68.868 -0.130 0.000 0.862 86 T HN 0.099 nan 8.240 nan 0.000 0.441 87 F N 1.490 121.474 119.950 0.057 0.000 2.420 87 F HA 0.501 5.029 4.527 0.001 0.000 0.342 87 F C 0.504 176.324 175.800 0.033 0.000 1.113 87 F CA -1.063 56.965 58.000 0.046 0.000 1.059 87 F CB 1.100 40.128 39.000 0.047 0.000 1.128 87 F HN -0.145 nan 8.300 nan 0.000 0.475 88 Q N 1.809 121.719 119.800 0.184 0.000 2.416 88 Q HA 0.531 4.871 4.340 0.001 0.000 0.279 88 Q C -0.853 175.214 176.000 0.112 0.000 1.101 88 Q CA -1.060 54.813 55.803 0.116 0.000 0.830 88 Q CB 2.804 31.580 28.738 0.063 0.000 1.402 88 Q HN 0.557 nan 8.270 nan 0.000 0.445 89 V N -1.278 118.684 119.914 0.080 0.000 2.465 89 V HA 0.354 4.475 4.120 0.001 0.000 0.279 89 V C 0.034 176.165 176.094 0.062 0.000 1.045 89 V CA -0.501 61.840 62.300 0.068 0.000 0.938 89 V CB 1.268 33.122 31.823 0.052 0.000 0.986 89 V HN 0.781 nan 8.190 nan 0.000 0.467 90 E N 3.828 124.069 120.200 0.068 0.000 2.324 90 E HA 0.118 4.469 4.350 0.001 0.000 0.271 90 E C 0.656 177.302 176.600 0.076 0.000 1.028 90 E CA -0.061 56.387 56.400 0.080 0.000 0.890 90 E CB 1.227 30.983 29.700 0.094 0.000 1.004 90 E HN 0.888 nan 8.360 nan 0.000 0.431 91 K N 3.824 124.271 120.400 0.077 0.000 1.979 91 K HA -0.042 4.279 4.320 0.001 0.000 0.213 91 K C 0.105 176.759 176.600 0.091 0.000 1.036 91 K CA 1.038 57.366 56.287 0.068 0.000 0.954 91 K CB 0.195 32.726 32.500 0.051 0.000 0.743 91 K HN 0.341 nan 8.250 nan 0.000 0.443 92 R N 1.966 122.544 120.500 0.129 0.000 2.234 92 R HA 0.243 4.584 4.340 0.001 0.000 0.324 92 R C -2.326 174.113 176.300 0.232 0.000 1.054 92 R CA -2.019 54.191 56.100 0.182 0.000 0.912 92 R CB 1.007 31.445 30.300 0.230 0.000 1.030 92 R HN 0.342 nan 8.270 nan 0.000 0.455 93 P HA -0.065 nan 4.420 nan 0.000 0.268 93 P C -0.845 176.446 177.300 -0.015 0.000 1.205 93 P CA 0.016 63.168 63.100 0.087 0.000 0.771 93 P CB 0.607 32.324 31.700 0.029 0.000 0.858 94 H N 5.112 124.130 119.070 -0.087 0.000 2.683 94 H HA 0.112 4.669 4.556 0.001 0.000 0.339 94 H C -1.060 174.001 175.328 -0.445 0.000 1.081 94 H CA -1.300 54.556 56.048 -0.321 0.000 1.432 94 H CB 0.826 30.588 29.762 -0.001 0.000 1.462 94 H HN 0.272 nan 8.280 nan 0.000 0.557 95 P HA -0.144 nan 4.420 nan 0.000 0.225 95 P C 0.672 177.840 177.300 -0.220 0.000 1.148 95 P CA 1.093 63.907 63.100 -0.478 0.000 0.779 95 P CB 0.389 31.739 31.700 -0.583 0.000 0.780 96 L N -1.165 120.005 121.223 -0.089 0.000 2.667 96 L HA 0.170 4.511 4.340 0.001 0.000 0.232 96 L C 0.737 177.530 176.870 -0.127 0.000 1.138 96 L CA -0.308 54.407 54.840 -0.208 0.000 0.921 96 L CB -0.763 41.001 42.059 -0.492 0.000 1.180 96 L HN -0.085 nan 8.230 nan 0.000 0.487 97 N N 1.354 120.076 118.700 0.037 0.000 2.412 97 N HA 0.142 4.883 4.740 0.001 0.000 0.258 97 N C 0.528 176.059 175.510 0.035 0.000 1.236 97 N CA -0.231 52.894 53.050 0.125 0.000 0.882 97 N CB 0.873 39.418 38.487 0.095 0.000 1.066 97 N HN 0.198 nan 8.380 nan 0.000 0.465 98 A N 3.072 125.909 122.820 0.029 0.000 2.475 98 A HA 0.104 4.425 4.320 0.001 0.000 0.239 98 A C 0.490 178.064 177.584 -0.016 0.000 1.087 98 A CA -0.253 51.778 52.037 -0.010 0.000 0.779 98 A CB 0.156 19.141 19.000 -0.026 0.000 1.036 98 A HN 0.641 nan 8.150 nan 0.000 0.506 99 L N 1.334 122.543 121.223 -0.023 0.000 2.490 99 L HA 0.140 4.481 4.340 0.001 0.000 0.274 99 L C 1.420 178.274 176.870 -0.026 0.000 1.201 99 L CA -0.058 54.767 54.840 -0.026 0.000 0.869 99 L CB -0.034 42.006 42.059 -0.031 0.000 1.123 99 L HN 0.959 nan 8.230 nan 0.000 0.484 100 T N -0.255 114.284 114.554 -0.024 0.000 2.766 100 T HA 0.280 4.631 4.350 0.001 0.000 0.295 100 T C 1.287 175.969 174.700 -0.031 0.000 1.024 100 T CA -0.229 61.857 62.100 -0.024 0.000 1.018 100 T CB 1.330 70.186 68.868 -0.020 0.000 1.002 100 T HN 0.648 nan 8.240 nan 0.000 0.532 101 A N 0.842 123.645 122.820 -0.029 0.000 1.917 101 A HA -0.152 4.169 4.320 0.001 0.000 0.219 101 A C 2.072 179.632 177.584 -0.040 0.000 1.182 101 A CA 2.000 54.017 52.037 -0.034 0.000 0.633 101 A CB -1.089 17.895 19.000 -0.027 0.000 0.819 101 A HN 0.910 nan 8.150 nan 0.000 0.448 102 D N -0.628 119.753 120.400 -0.033 0.000 2.097 102 D HA -0.097 4.543 4.640 0.001 0.000 0.197 102 D C 2.023 178.300 176.300 -0.039 0.000 0.984 102 D CA 1.369 55.350 54.000 -0.033 0.000 0.826 102 D CB -0.386 40.399 40.800 -0.024 0.000 0.973 102 D HN 0.633 nan 8.370 nan 0.000 0.460 103 E N 0.097 120.275 120.200 -0.036 0.000 2.110 103 E HA -0.134 4.217 4.350 0.001 0.000 0.193 103 E C 2.333 178.901 176.600 -0.054 0.000 0.988 103 E CA 0.406 56.783 56.400 -0.038 0.000 0.804 103 E CB 0.003 29.684 29.700 -0.031 0.000 0.745 103 E HN 0.305 nan 8.360 nan 0.000 0.458 104 I N 1.319 121.851 120.570 -0.064 0.000 2.142 104 I HA -0.311 3.859 4.170 0.001 0.000 0.240 104 I C 2.289 178.332 176.117 -0.122 0.000 1.078 104 I CA 1.288 62.531 61.300 -0.095 0.000 1.343 104 I CB -0.180 37.764 38.000 -0.094 0.000 1.046 104 I HN 0.016 nan 8.210 nan 0.000 0.405 105 K N 0.179 120.519 120.400 -0.100 0.000 2.211 105 K HA -0.272 4.049 4.320 0.001 0.000 0.204 105 K C 2.052 178.595 176.600 -0.096 0.000 1.047 105 K CA 1.327 57.552 56.287 -0.103 0.000 0.935 105 K CB -0.278 32.178 32.500 -0.073 0.000 0.728 105 K HN 0.479 nan 8.250 nan 0.000 0.452 106 Q N 0.675 120.430 119.800 -0.075 0.000 2.046 106 Q HA -0.118 4.223 4.340 0.001 0.000 0.200 106 Q C 2.127 178.091 176.000 -0.060 0.000 0.975 106 Q CA 1.342 57.111 55.803 -0.057 0.000 0.836 106 Q CB -0.074 28.640 28.738 -0.040 0.000 0.896 106 Q HN 0.315 nan 8.270 nan 0.000 0.428 107 A N 0.044 122.822 122.820 -0.071 0.000 1.902 107 A HA -0.136 4.185 4.320 0.001 0.000 0.217 107 A C 2.205 179.739 177.584 -0.083 0.000 1.181 107 A CA 1.490 53.492 52.037 -0.058 0.000 0.623 107 A CB -0.770 18.192 19.000 -0.063 0.000 0.818 107 A HN 0.317 nan 8.150 nan 0.000 0.443 108 V N -0.182 119.623 119.914 -0.180 0.000 2.343 108 V HA -0.202 3.919 4.120 0.001 0.000 0.247 108 V C 2.629 178.637 176.094 -0.144 0.000 1.051 108 V CA 2.378 64.532 62.300 -0.244 0.000 1.036 108 V CB -0.550 31.037 31.823 -0.394 0.000 0.654 108 V HN 0.606 nan 8.190 nan 0.000 0.451 109 E N 0.136 120.265 120.200 -0.117 0.000 2.106 109 E HA -0.154 4.197 4.350 0.001 0.000 0.192 109 E C 1.907 178.469 176.600 -0.063 0.000 0.984 109 E CA 1.264 57.607 56.400 -0.095 0.000 0.806 109 E CB -0.342 29.316 29.700 -0.069 0.000 0.750 109 E HN 0.609 nan 8.360 nan 0.000 0.458 110 I N -0.112 120.442 120.570 -0.027 0.000 2.142 110 I HA -0.285 3.886 4.170 0.001 0.000 0.240 110 I C 2.356 178.510 176.117 0.062 0.000 1.078 110 I CA 1.365 62.676 61.300 0.018 0.000 1.343 110 I CB -0.514 37.508 38.000 0.036 0.000 1.046 110 I HN 0.087 nan 8.210 nan 0.000 0.405 111 V N -1.183 118.794 119.914 0.105 0.000 2.343 111 V HA -0.256 3.864 4.120 0.001 0.000 0.247 111 V C 2.167 178.320 176.094 0.099 0.000 1.051 111 V CA 1.593 64.054 62.300 0.269 0.000 1.036 111 V CB -1.155 30.933 31.823 0.443 0.000 0.654 111 V HN 0.353 nan 8.190 nan 0.000 0.451 112 K N 1.138 121.355 120.400 -0.304 0.000 2.442 112 K HA 0.020 4.341 4.320 0.001 0.000 0.199 112 K C 2.036 178.545 176.600 -0.152 0.000 1.044 112 K CA 1.312 57.260 56.287 -0.565 0.000 0.941 112 K CB -0.322 31.828 32.500 -0.582 0.000 0.759 112 K HN 0.664 nan 8.250 nan 0.000 0.472 113 A N 0.963 123.750 122.820 -0.055 0.000 2.169 113 A HA 0.026 4.347 4.320 0.001 0.000 0.210 113 A C 1.093 178.668 177.584 -0.015 0.000 1.168 113 A CA -0.049 51.973 52.037 -0.024 0.000 0.813 113 A CB 0.185 19.173 19.000 -0.020 0.000 0.861 113 A HN 0.220 nan 8.150 nan 0.000 0.481 114 S N -0.472 115.226 115.700 -0.004 0.000 2.593 114 S HA 0.425 4.895 4.470 0.001 0.000 0.269 114 S C 1.427 175.941 174.600 -0.143 0.000 1.334 114 S CA 0.153 58.291 58.200 -0.103 0.000 1.015 114 S CB 1.171 64.244 63.200 -0.212 0.000 0.912 114 S HN 1.005 nan 8.310 nan 0.000 0.541 115 A N 2.254 124.946 122.820 -0.214 0.000 1.986 115 A HA -0.121 4.200 4.320 0.001 0.000 0.220 115 A C 1.586 179.069 177.584 -0.168 0.000 1.171 115 A CA 1.992 53.925 52.037 -0.174 0.000 0.640 115 A CB -0.676 18.212 19.000 -0.186 0.000 0.811 115 A HN 0.935 nan 8.150 nan 0.000 0.451 116 D N -2.424 117.784 120.400 -0.321 0.000 2.369 116 D HA 0.151 4.792 4.640 0.001 0.000 0.211 116 D C 0.054 176.385 176.300 0.053 0.000 1.077 116 D CA -0.289 53.586 54.000 -0.209 0.000 0.842 116 D CB 0.012 40.576 40.800 -0.393 0.000 0.947 116 D HN 0.434 nan 8.370 nan 0.000 0.509 117 F N 2.749 122.711 119.950 0.019 0.000 2.506 117 F HA 0.089 4.616 4.527 0.000 0.000 0.351 117 F C 0.307 176.165 175.800 0.095 0.000 1.136 117 F CA 0.129 58.244 58.000 0.191 0.000 1.298 117 F CB 0.492 39.619 39.000 0.213 0.000 1.145 117 F HN -0.333 nan 8.300 nan 0.000 0.593 118 K N 6.320 126.449 120.400 -0.451 0.000 2.535 118 K HA 0.236 4.557 4.320 0.001 0.000 0.251 118 K C -2.431 174.004 176.600 -0.276 0.000 0.942 118 K CA -1.747 54.425 56.287 -0.192 0.000 0.798 118 K CB 1.930 34.352 32.500 -0.131 0.000 1.267 118 K HN 0.210 nan 8.250 nan 0.000 0.434 119 P HA -0.230 nan 4.420 nan 0.000 0.224 119 P C 0.258 177.566 177.300 0.013 0.000 1.142 119 P CA 1.339 64.493 63.100 0.091 0.000 0.778 119 P CB 0.152 31.911 31.700 0.098 0.000 0.764 120 N N -0.666 117.996 118.700 -0.064 0.000 2.336 120 N HA -0.021 4.720 4.740 0.001 0.000 0.189 120 N C -0.294 175.141 175.510 -0.125 0.000 1.113 120 N CA 0.176 53.196 53.050 -0.050 0.000 0.858 120 N CB -0.910 37.557 38.487 -0.033 0.000 0.970 120 N HN -0.144 nan 8.380 nan 0.000 0.471 121 T N 2.348 116.725 114.554 -0.295 0.000 2.761 121 T HA 0.125 4.476 4.350 0.001 0.000 0.287 121 T C 0.481 174.949 174.700 -0.386 0.000 0.931 121 T CA 0.015 61.823 62.100 -0.487 0.000 1.164 121 T CB 0.380 68.581 68.868 -1.112 0.000 0.876 121 T HN 0.188 nan 8.240 nan 0.000 0.534 122 R N 1.885 122.225 120.500 -0.266 0.000 2.553 122 R HA 0.529 4.869 4.340 0.001 0.000 0.263 122 R C -0.643 175.447 176.300 -0.350 0.000 1.066 122 R CA -0.598 55.423 56.100 -0.131 0.000 1.135 122 R CB 0.799 31.185 30.300 0.144 0.000 1.148 122 R HN 0.468 nan 8.270 nan 0.000 0.558 123 F N 0.004 120.044 119.950 0.151 0.000 2.402 123 F HA 0.172 4.700 4.527 0.001 0.000 0.355 123 F C 1.429 177.310 175.800 0.135 0.000 1.123 123 F CA -0.498 57.574 58.000 0.120 0.000 1.021 123 F CB 1.919 40.978 39.000 0.099 0.000 1.160 123 F HN 0.629 nan 8.300 nan 0.000 0.451 124 T N -1.562 113.130 114.554 0.230 0.000 3.035 124 T HA 0.113 4.464 4.350 0.001 0.000 0.259 124 T C 0.341 175.141 174.700 0.167 0.000 1.078 124 T CA 0.374 62.580 62.100 0.175 0.000 1.132 124 T CB 0.215 69.153 68.868 0.116 0.000 0.900 124 T HN 0.574 nan 8.240 nan 0.000 0.480 125 E N -0.154 120.154 120.200 0.179 0.000 2.347 125 E HA 0.503 4.853 4.350 0.001 0.000 0.285 125 E C -1.931 174.746 176.600 0.130 0.000 0.925 125 E CA -0.741 55.740 56.400 0.134 0.000 0.779 125 E CB 1.858 31.614 29.700 0.093 0.000 1.233 125 E HN 0.373 nan 8.360 nan 0.000 0.414 126 I N 3.077 123.695 120.570 0.079 0.000 2.495 126 I HA 0.346 4.517 4.170 0.001 0.000 0.277 126 I C -0.731 175.395 176.117 0.014 0.000 1.045 126 I CA -0.409 60.910 61.300 0.031 0.000 1.135 126 I CB 1.653 39.624 38.000 -0.049 0.000 1.241 126 I HN 0.243 nan 8.210 nan 0.000 0.469 127 S N 4.934 120.647 115.700 0.021 0.000 2.548 127 S HA 0.516 4.987 4.470 0.001 0.000 0.286 127 S C -0.574 174.026 174.600 0.000 0.000 1.098 127 S CA -0.626 57.579 58.200 0.008 0.000 0.930 127 S CB 2.396 65.607 63.200 0.019 0.000 1.070 127 S HN 0.500 nan 8.310 nan 0.000 0.480 128 L N 2.795 124.010 121.223 -0.013 0.000 2.593 128 L HA 0.195 4.536 4.340 0.001 0.000 0.287 128 L C -0.579 176.283 176.870 -0.014 0.000 1.243 128 L CA 0.191 55.019 54.840 -0.019 0.000 0.890 128 L CB 0.005 42.044 42.059 -0.033 0.000 1.134 128 L HN 0.576 nan 8.230 nan 0.000 0.502 129 L N 8.867 130.084 121.223 -0.009 0.000 2.259 129 L HA 0.578 4.918 4.340 0.001 0.000 0.288 129 L C -2.243 174.620 176.870 -0.012 0.000 1.051 129 L CA -1.967 52.870 54.840 -0.004 0.000 0.824 129 L CB 0.305 42.367 42.059 0.006 0.000 1.206 129 L HN 0.575 nan 8.230 nan 0.000 0.429 130 P HA 0.280 nan 4.420 nan 0.000 0.271 130 P C -2.643 174.656 177.300 -0.002 0.000 1.218 130 P CA -1.055 62.035 63.100 -0.018 0.000 0.780 130 P CB -0.112 31.589 31.700 0.000 0.000 0.901 131 P HA 0.044 nan 4.420 nan 0.000 0.272 131 P C -0.228 177.082 177.300 0.017 0.000 1.254 131 P CA -0.023 63.072 63.100 -0.008 0.000 0.795 131 P CB 0.155 31.834 31.700 -0.034 0.000 1.022 132 D N 0.486 120.897 120.400 0.018 0.000 2.423 132 D HA -0.057 4.584 4.640 0.001 0.000 0.238 132 D C 0.981 177.266 176.300 -0.024 0.000 1.142 132 D CA -0.264 53.751 54.000 0.025 0.000 0.884 132 D CB 0.799 41.619 40.800 0.033 0.000 1.199 132 D HN 0.482 nan 8.370 nan 0.000 0.438 133 K N 1.687 122.016 120.400 -0.118 0.000 2.152 133 K HA -0.273 4.048 4.320 0.001 0.000 0.206 133 K C 1.571 178.028 176.600 -0.239 0.000 1.048 133 K CA 1.333 57.351 56.287 -0.448 0.000 0.933 133 K CB -0.082 31.711 32.500 -1.178 0.000 0.721 133 K HN 0.590 nan 8.250 nan 0.000 0.447 134 E N 0.677 120.828 120.200 -0.082 0.000 2.072 134 E HA -0.176 4.175 4.350 0.001 0.000 0.191 134 E C 1.997 178.650 176.600 0.089 0.000 0.985 134 E CA 1.092 57.515 56.400 0.038 0.000 0.801 134 E CB -0.146 29.569 29.700 0.024 0.000 0.750 134 E HN 0.503 nan 8.360 nan 0.000 0.452 135 A N 0.557 123.409 122.820 0.052 0.000 1.933 135 A HA -0.123 4.197 4.320 0.001 0.000 0.218 135 A C 2.373 180.014 177.584 0.095 0.000 1.175 135 A CA 1.329 53.408 52.037 0.069 0.000 0.628 135 A CB -0.541 18.481 19.000 0.036 0.000 0.814 135 A HN 0.219 nan 8.150 nan 0.000 0.444 136 V N -2.321 117.624 119.914 0.051 0.000 2.358 136 V HA -0.282 3.838 4.120 0.001 0.000 0.246 136 V C 2.209 178.383 176.094 0.133 0.000 1.047 136 V CA 1.710 64.028 62.300 0.031 0.000 1.035 136 V CB -1.001 30.844 31.823 0.038 0.000 0.658 136 V HN 0.784 nan 8.190 nan 0.000 0.452 137 W N 0.031 121.410 121.300 0.131 0.000 2.378 137 W HA -0.089 4.572 4.660 0.001 0.000 0.313 137 W C 2.677 179.258 176.519 0.103 0.000 1.197 137 W CA 1.147 58.571 57.345 0.131 0.000 1.304 137 W CB -0.407 29.086 29.460 0.054 0.000 1.148 137 W HN 0.173 nan 8.180 nan 0.000 0.494 138 A N -0.075 122.942 122.820 0.329 0.000 1.958 138 A HA -0.308 4.013 4.320 0.001 0.000 0.221 138 A C 1.708 179.394 177.584 0.171 0.000 1.178 138 A CA 1.869 54.022 52.037 0.194 0.000 0.642 138 A CB -1.340 17.739 19.000 0.133 0.000 0.816 138 A HN 0.425 nan 8.150 nan 0.000 0.453 139 F N 0.692 120.673 119.950 0.051 0.000 2.075 139 F HA -0.073 4.455 4.527 0.001 0.000 0.297 139 F C 2.582 178.395 175.800 0.021 0.000 1.113 139 F CA 1.594 59.584 58.000 -0.015 0.000 1.218 139 F CB -0.486 38.434 39.000 -0.134 0.000 0.984 139 F HN 0.250 nan 8.300 nan 0.000 0.472 140 A N 0.306 123.305 122.820 0.300 0.000 1.902 140 A HA -0.104 4.217 4.320 0.001 0.000 0.217 140 A C 2.218 179.921 177.584 0.198 0.000 1.181 140 A CA 1.902 54.109 52.037 0.284 0.000 0.623 140 A CB -1.013 18.232 19.000 0.408 0.000 0.818 140 A HN 0.510 nan 8.150 nan 0.000 0.443 141 L N -1.975 119.389 121.223 0.235 0.000 2.298 141 L HA 0.074 4.415 4.340 0.001 0.000 0.209 141 L C 1.829 178.727 176.870 0.046 0.000 1.084 141 L CA 0.920 55.852 54.840 0.154 0.000 0.816 141 L CB -0.151 42.001 42.059 0.154 0.000 0.967 141 L HN 0.384 nan 8.230 nan 0.000 0.460 142 E N -0.830 119.378 120.200 0.013 0.000 2.601 142 E HA 0.056 4.407 4.350 0.001 0.000 0.219 142 E C -0.002 176.540 176.600 -0.098 0.000 0.964 142 E CA -0.146 56.238 56.400 -0.027 0.000 1.050 142 E CB 0.529 30.232 29.700 0.004 0.000 1.068 142 E HN 0.284 nan 8.360 nan 0.000 0.496 143 N N 1.644 120.212 118.700 -0.220 0.000 2.714 143 N HA -0.179 4.562 4.740 0.001 0.000 0.250 143 N C -0.586 174.769 175.510 -0.259 0.000 1.117 143 N CA 0.303 53.108 53.050 -0.408 0.000 0.719 143 N CB -0.316 37.997 38.487 -0.290 0.000 1.081 143 N HN -0.068 nan 8.380 nan 0.000 0.557 144 K N 1.648 121.983 120.400 -0.109 0.000 2.383 144 K HA 0.289 4.609 4.320 0.001 0.000 0.286 144 K C -2.278 174.403 176.600 0.134 0.000 1.051 144 K CA -1.402 54.893 56.287 0.014 0.000 0.974 144 K CB 0.756 33.284 32.500 0.047 0.000 0.968 144 K HN 0.101 nan 8.250 nan 0.000 0.475 145 P HA -0.025 nan 4.420 nan 0.000 0.269 145 P C -0.870 176.521 177.300 0.152 0.000 1.209 145 P CA -0.369 62.856 63.100 0.208 0.000 0.776 145 P CB 0.567 32.339 31.700 0.120 0.000 0.876 146 V N 3.388 123.373 119.914 0.118 0.000 2.461 146 V HA 0.046 4.167 4.120 0.001 0.000 0.275 146 V C 1.248 177.354 176.094 0.021 0.000 1.047 146 V CA 0.340 62.663 62.300 0.039 0.000 0.955 146 V CB 0.760 32.557 31.823 -0.044 0.000 0.988 146 V HN 0.600 nan 8.190 nan 0.000 0.471 147 D N 2.344 122.757 120.400 0.022 0.000 2.162 147 D HA -0.040 4.600 4.640 0.001 0.000 0.203 147 D C 0.816 177.120 176.300 0.008 0.000 0.967 147 D CA 0.716 54.727 54.000 0.018 0.000 0.840 147 D CB 0.413 41.226 40.800 0.021 0.000 0.972 147 D HN 0.647 nan 8.370 nan 0.000 0.482 148 Q N 2.143 121.945 119.800 0.003 0.000 2.286 148 Q HA 0.083 4.424 4.340 0.001 0.000 0.290 148 Q C -2.176 173.818 176.000 -0.009 0.000 1.049 148 Q CA -0.923 54.880 55.803 -0.001 0.000 0.923 148 Q CB 0.513 29.251 28.738 -0.001 0.000 1.183 148 Q HN 0.130 nan 8.270 nan 0.000 0.383 149 P HA 0.015 nan 4.420 nan 0.000 0.271 149 P C -0.686 176.605 177.300 -0.014 0.000 1.216 149 P CA -0.206 62.889 63.100 -0.008 0.000 0.776 149 P CB 0.628 32.328 31.700 -0.001 0.000 0.881 150 R N 2.878 123.365 120.500 -0.021 0.000 2.549 150 R HA -0.019 4.322 4.340 0.001 0.000 0.336 150 R C 0.486 176.779 176.300 -0.012 0.000 0.891 150 R CA 0.872 56.957 56.100 -0.024 0.000 1.102 150 R CB -0.449 29.834 30.300 -0.027 0.000 0.899 150 R HN 0.517 nan 8.270 nan 0.000 0.407 151 K N 1.134 121.528 120.400 -0.010 0.000 2.258 151 K HA 0.742 5.063 4.320 0.001 0.000 0.236 151 K C -0.620 175.980 176.600 -0.000 0.000 1.008 151 K CA -0.789 55.498 56.287 0.001 0.000 0.869 151 K CB 1.910 34.415 32.500 0.008 0.000 1.171 151 K HN 0.555 nan 8.250 nan 0.000 0.447 152 A N 1.026 123.851 122.820 0.009 0.000 2.486 152 A HA 0.352 4.672 4.320 0.001 0.000 0.300 152 A C -1.524 176.074 177.584 0.023 0.000 1.048 152 A CA -0.821 51.221 52.037 0.008 0.000 0.696 152 A CB 1.034 20.033 19.000 -0.002 0.000 1.278 152 A HN 0.654 nan 8.150 nan 0.000 0.405 153 D N 1.506 121.921 120.400 0.026 0.000 2.295 153 D HA 0.438 5.079 4.640 0.001 0.000 0.248 153 D C -0.706 175.625 176.300 0.052 0.000 1.154 153 D CA 0.396 54.420 54.000 0.040 0.000 0.857 153 D CB 1.688 42.514 40.800 0.043 0.000 1.117 153 D HN 0.187 nan 8.370 nan 0.000 0.468 154 V N 4.794 124.745 119.914 0.062 0.000 2.407 154 V HA 0.391 4.512 4.120 0.001 0.000 0.291 154 V C 0.320 176.470 176.094 0.094 0.000 1.018 154 V CA -0.728 61.636 62.300 0.107 0.000 0.842 154 V CB 1.511 33.420 31.823 0.143 0.000 0.996 154 V HN 0.349 nan 8.190 nan 0.000 0.426 155 I N 5.792 126.443 120.570 0.135 0.000 2.355 155 I HA 0.490 4.660 4.170 0.001 0.000 0.288 155 I C -0.143 176.023 176.117 0.080 0.000 0.999 155 I CA -0.222 61.129 61.300 0.085 0.000 1.163 155 I CB 1.536 39.611 38.000 0.124 0.000 1.316 155 I HN 0.459 nan 8.210 nan 0.000 0.454 156 M N 6.348 125.911 119.600 -0.062 0.000 2.423 156 M HA 0.447 4.928 4.480 0.001 0.000 0.335 156 M C -0.931 175.268 176.300 -0.169 0.000 1.177 156 M CA -0.844 54.344 55.300 -0.187 0.000 1.038 156 M CB 2.302 34.706 32.600 -0.326 0.000 1.641 156 M HN 0.340 nan 8.290 nan 0.000 0.455 157 L N 2.672 123.785 121.223 -0.184 0.000 2.295 157 L HA 0.356 4.697 4.340 0.001 0.000 0.281 157 L C -0.915 175.855 176.870 -0.166 0.000 1.018 157 L CA -0.131 54.627 54.840 -0.137 0.000 0.841 157 L CB 0.725 42.739 42.059 -0.075 0.000 1.218 157 L HN 0.509 nan 8.230 nan 0.000 0.424 158 D N 4.540 124.861 120.400 -0.132 0.000 2.468 158 D HA 0.462 5.103 4.640 0.001 0.000 0.218 158 D C 1.066 177.360 176.300 -0.010 0.000 1.155 158 D CA 0.958 54.898 54.000 -0.100 0.000 0.924 158 D CB 0.471 41.234 40.800 -0.063 0.000 1.029 158 D HN 0.824 nan 8.370 nan 0.000 0.515 159 G N 5.283 114.050 108.800 -0.055 0.000 2.846 159 G HA2 -0.406 3.555 3.960 0.001 0.000 0.317 159 G HA3 -0.406 3.555 3.960 0.001 0.000 0.317 159 G C 0.950 175.778 174.900 -0.119 0.000 1.210 159 G CA 0.946 46.013 45.100 -0.055 0.000 0.972 159 G HN 0.620 nan 8.290 nan 0.000 0.567 160 K N 1.049 121.303 120.400 -0.243 0.000 2.355 160 K HA 0.245 4.566 4.320 0.001 0.000 0.198 160 K C 0.381 176.715 176.600 -0.443 0.000 1.039 160 K CA 0.161 56.241 56.287 -0.344 0.000 1.075 160 K CB 0.184 32.449 32.500 -0.391 0.000 0.870 160 K HN 0.661 nan 8.250 nan 0.000 0.540 161 H N 1.661 120.649 119.070 -0.136 0.000 2.580 161 H HA 0.204 4.760 4.556 0.001 0.000 0.322 161 H C -0.104 175.114 175.328 -0.183 0.000 1.082 161 H CA -0.605 55.345 56.048 -0.162 0.000 1.383 161 H CB 1.198 30.883 29.762 -0.128 0.000 1.450 161 H HN 0.024 nan 8.280 nan 0.000 0.505 162 I N 4.840 125.329 120.570 -0.136 0.000 2.396 162 I HA 0.187 4.358 4.170 0.001 0.000 0.292 162 I C 0.545 176.551 176.117 -0.185 0.000 0.999 162 I CA -0.273 60.911 61.300 -0.193 0.000 1.310 162 I CB 0.725 38.515 38.000 -0.349 0.000 1.404 162 I HN 0.433 nan 8.210 nan 0.000 0.496 163 I N 5.506 125.947 120.570 -0.214 0.000 2.582 163 I HA 0.288 4.459 4.170 0.001 0.000 0.292 163 I C -0.130 175.817 176.117 -0.283 0.000 1.066 163 I CA -0.574 60.547 61.300 -0.299 0.000 1.053 163 I CB 2.063 39.753 38.000 -0.517 0.000 1.241 163 I HN 0.432 nan 8.210 nan 0.000 0.421 164 E N 4.990 125.058 120.200 -0.221 0.000 2.035 164 E HA 0.602 4.952 4.350 0.001 0.000 0.271 164 E C -0.656 175.836 176.600 -0.182 0.000 0.953 164 E CA -0.561 55.763 56.400 -0.127 0.000 0.777 164 E CB 1.518 31.214 29.700 -0.006 0.000 1.104 164 E HN 0.660 nan 8.360 nan 0.000 0.408 165 A N 2.867 125.563 122.820 -0.206 0.000 2.303 165 A HA 0.578 4.899 4.320 0.001 0.000 0.317 165 A C -0.349 177.248 177.584 0.022 0.000 1.149 165 A CA -0.570 51.416 52.037 -0.084 0.000 0.822 165 A CB 1.062 20.010 19.000 -0.086 0.000 1.131 165 A HN 0.413 nan 8.150 nan 0.000 0.493 166 V N 2.437 122.392 119.914 0.067 0.000 2.487 166 V HA 0.540 4.661 4.120 0.001 0.000 0.298 166 V C -0.074 176.066 176.094 0.077 0.000 1.028 166 V CA -0.445 61.893 62.300 0.063 0.000 0.860 166 V CB 1.378 33.233 31.823 0.054 0.000 0.991 166 V HN 1.010 nan 8.190 nan 0.000 0.427 167 V N 0.788 120.738 119.914 0.061 0.000 2.769 167 V HA 0.730 4.851 4.120 0.001 0.000 0.312 167 V C -0.681 175.435 176.094 0.036 0.000 1.058 167 V CA -0.636 61.699 62.300 0.058 0.000 0.952 167 V CB 2.112 33.967 31.823 0.054 0.000 1.019 167 V HN 0.801 nan 8.190 nan 0.000 0.445 168 D N 2.472 122.891 120.400 0.032 0.000 2.349 168 D HA 0.432 5.073 4.640 0.001 0.000 0.232 168 D C 0.446 176.753 176.300 0.012 0.000 1.071 168 D CA -0.273 53.739 54.000 0.020 0.000 0.832 168 D CB 1.850 42.663 40.800 0.021 0.000 1.086 168 D HN 0.614 nan 8.370 nan 0.000 0.504 169 L N 3.032 124.257 121.223 0.004 0.000 2.298 169 L HA 0.025 4.366 4.340 0.001 0.000 0.209 169 L C 2.504 179.372 176.870 -0.004 0.000 1.084 169 L CA 0.185 55.023 54.840 -0.003 0.000 0.816 169 L CB -0.210 41.843 42.059 -0.010 0.000 0.967 169 L HN 0.486 nan 8.230 nan 0.000 0.460 170 Q N 0.862 120.660 119.800 -0.003 0.000 2.029 170 Q HA -0.239 4.102 4.340 0.001 0.000 0.209 170 Q C 1.456 177.456 176.000 0.001 0.000 0.999 170 Q CA 2.198 58.000 55.803 -0.002 0.000 0.857 170 Q CB 0.064 28.800 28.738 -0.002 0.000 0.926 170 Q HN 0.469 nan 8.270 nan 0.000 0.415 171 N N 0.525 119.228 118.700 0.004 0.000 2.398 171 N HA -0.048 4.693 4.740 0.001 0.000 0.188 171 N C -0.353 175.161 175.510 0.006 0.000 1.122 171 N CA 0.593 53.647 53.050 0.006 0.000 0.866 171 N CB -0.071 38.422 38.487 0.009 0.000 0.970 171 N HN 0.342 nan 8.380 nan 0.000 0.462 172 N N 1.190 119.894 118.700 0.006 0.000 2.696 172 N HA -0.222 4.518 4.740 0.001 0.000 0.256 172 N C -0.940 174.578 175.510 0.012 0.000 1.031 172 N CA 0.711 53.764 53.050 0.006 0.000 0.730 172 N CB -0.778 37.709 38.487 0.000 0.000 0.894 172 N HN 0.520 nan 8.380 nan 0.000 0.544 173 K N -0.409 120.003 120.400 0.021 0.000 2.508 173 K HA 0.561 4.882 4.320 0.001 0.000 0.260 173 K C -1.194 175.435 176.600 0.047 0.000 0.949 173 K CA -1.174 55.130 56.287 0.029 0.000 0.834 173 K CB 1.252 33.766 32.500 0.024 0.000 1.365 173 K HN 0.065 nan 8.250 nan 0.000 0.437 174 L N 3.892 125.153 121.223 0.064 0.000 2.265 174 L HA 0.260 4.600 4.340 0.001 0.000 0.288 174 L C 0.069 176.997 176.870 0.097 0.000 1.058 174 L CA -0.217 54.685 54.840 0.102 0.000 0.809 174 L CB 0.661 42.806 42.059 0.144 0.000 1.179 174 L HN 0.895 nan 8.230 nan 0.000 0.429 175 L N 2.453 123.736 121.223 0.098 0.000 2.221 175 L HA 0.255 4.596 4.340 0.001 0.000 0.202 175 L C 0.499 177.431 176.870 0.104 0.000 1.074 175 L CA 0.332 55.222 54.840 0.083 0.000 0.795 175 L CB -0.044 42.053 42.059 0.062 0.000 0.960 175 L HN 0.643 nan 8.230 nan 0.000 0.458 176 S N -1.713 114.069 115.700 0.136 0.000 2.595 176 S HA 0.444 4.915 4.470 0.001 0.000 0.281 176 S C -1.771 172.984 174.600 0.258 0.000 1.117 176 S CA -0.489 57.804 58.200 0.155 0.000 0.873 176 S CB 2.638 65.898 63.200 0.101 0.000 1.108 176 S HN 0.244 nan 8.310 nan 0.000 0.477 177 W N 4.033 125.356 121.300 0.039 0.000 2.055 177 W HA 0.221 4.882 4.660 0.001 0.000 0.291 177 W C -1.664 174.871 176.519 0.027 0.000 1.037 177 W CA -0.352 57.018 57.345 0.042 0.000 1.061 177 W CB 0.449 29.935 29.460 0.043 0.000 0.994 177 W HN 0.824 nan 8.180 nan 0.000 0.273 178 Q N 3.520 123.361 119.800 0.068 0.000 2.322 178 Q HA 0.554 4.895 4.340 0.001 0.000 0.265 178 Q C -2.682 173.292 176.000 -0.043 0.000 0.985 178 Q CA -2.218 53.623 55.803 0.064 0.000 0.849 178 Q CB 2.552 31.326 28.738 0.060 0.000 1.274 178 Q HN 0.008 nan 8.270 nan 0.000 0.449 179 P HA 0.076 nan 4.420 nan 0.000 0.267 179 P C -0.652 176.611 177.300 -0.061 0.000 1.200 179 P CA 0.005 63.079 63.100 -0.043 0.000 0.772 179 P CB 0.463 32.166 31.700 0.005 0.000 0.855 180 I N 2.299 122.801 120.570 -0.114 0.000 2.437 180 I HA 0.164 4.334 4.170 0.001 0.000 0.279 180 I C 0.605 176.628 176.117 -0.158 0.000 1.028 180 I CA -1.393 59.822 61.300 -0.142 0.000 1.142 180 I CB 0.732 38.586 38.000 -0.244 0.000 1.266 180 I HN 0.309 nan 8.210 nan 0.000 0.461 181 K N 5.020 125.362 120.400 -0.096 0.000 2.401 181 K HA 0.104 4.425 4.320 0.001 0.000 0.278 181 K C 0.094 176.623 176.600 -0.118 0.000 1.018 181 K CA -0.029 56.206 56.287 -0.086 0.000 0.981 181 K CB 0.967 33.438 32.500 -0.049 0.000 0.933 181 K HN 0.516 nan 8.250 nan 0.000 0.477 182 D N -1.210 119.102 120.400 -0.148 0.000 2.837 182 D HA -0.188 4.452 4.640 0.001 0.000 0.195 182 D C -0.162 175.989 176.300 -0.249 0.000 1.033 182 D CA 1.882 55.772 54.000 -0.183 0.000 1.021 182 D CB -1.034 39.703 40.800 -0.104 0.000 1.101 182 D HN 0.847 nan 8.370 nan 0.000 0.431 183 A N 0.909 123.556 122.820 -0.289 0.000 2.409 183 A HA 0.388 4.709 4.320 0.001 0.000 0.262 183 A C 0.257 177.604 177.584 -0.394 0.000 1.113 183 A CA 0.058 51.888 52.037 -0.344 0.000 0.790 183 A CB 0.436 19.020 19.000 -0.693 0.000 1.046 183 A HN 0.207 nan 8.150 nan 0.000 0.496 184 H N 1.099 120.058 119.070 -0.184 0.000 2.472 184 H HA 0.420 4.976 4.556 0.001 0.000 0.335 184 H C 0.910 176.171 175.328 -0.112 0.000 1.136 184 H CA 0.399 56.355 56.048 -0.153 0.000 1.264 184 H CB 1.654 31.345 29.762 -0.119 0.000 1.486 184 H HN 0.854 nan 8.280 nan 0.000 0.517 185 G N 1.602 110.408 108.800 0.010 0.000 2.539 185 G HA2 0.318 4.279 3.960 0.001 0.000 0.258 185 G HA3 0.318 4.279 3.960 0.001 0.000 0.258 185 G C 0.666 175.572 174.900 0.010 0.000 1.202 185 G CA -0.690 44.417 45.100 0.013 0.000 0.851 185 G HN 0.632 nan 8.290 nan 0.000 0.556 186 M N 0.468 120.075 119.600 0.012 0.000 2.184 186 M HA 0.362 4.843 4.480 0.001 0.000 0.296 186 M C -0.045 176.197 176.300 -0.095 0.000 1.165 186 M CA -0.401 54.867 55.300 -0.054 0.000 1.175 186 M CB 0.193 32.774 32.600 -0.033 0.000 1.392 186 M HN 0.118 nan 8.290 nan 0.000 0.457 187 V N 2.242 122.042 119.914 -0.191 0.000 2.637 187 V HA 0.237 4.358 4.120 0.001 0.000 0.296 187 V C 0.329 176.412 176.094 -0.018 0.000 1.046 187 V CA -0.137 62.057 62.300 -0.177 0.000 1.066 187 V CB 0.321 31.914 31.823 -0.383 0.000 0.968 187 V HN 0.657 nan 8.190 nan 0.000 0.483 188 L N 3.589 124.810 121.223 -0.004 0.000 2.286 188 L HA 0.425 4.766 4.340 0.001 0.000 0.265 188 L C 0.944 177.783 176.870 -0.052 0.000 1.012 188 L CA -0.871 53.935 54.840 -0.057 0.000 0.818 188 L CB 1.252 43.223 42.059 -0.147 0.000 1.337 188 L HN 0.372 nan 8.230 nan 0.000 0.438 189 L N 1.479 122.501 121.223 -0.334 0.000 2.042 189 L HA -0.186 4.155 4.340 0.001 0.000 0.210 189 L C 2.156 178.937 176.870 -0.148 0.000 1.076 189 L CA 2.029 56.708 54.840 -0.267 0.000 0.749 189 L CB -0.967 40.876 42.059 -0.359 0.000 0.893 189 L HN 0.901 nan 8.230 nan 0.000 0.432 190 D N -1.517 118.668 120.400 -0.358 0.000 2.219 190 D HA -0.214 4.427 4.640 0.001 0.000 0.205 190 D C 1.438 177.742 176.300 0.007 0.000 0.970 190 D CA 0.827 54.771 54.000 -0.093 0.000 0.851 190 D CB -0.474 40.313 40.800 -0.022 0.000 0.943 190 D HN 0.276 nan 8.370 nan 0.000 0.488 191 D N 0.140 120.547 120.400 0.012 0.000 2.149 191 D HA -0.136 4.504 4.640 0.001 0.000 0.198 191 D C 1.834 178.153 176.300 0.032 0.000 0.990 191 D CA 0.661 54.664 54.000 0.004 0.000 0.839 191 D CB -0.541 40.227 40.800 -0.053 0.000 0.948 191 D HN 0.248 nan 8.370 nan 0.000 0.460 192 F N 1.447 121.370 119.950 -0.046 0.000 2.134 192 F HA -0.117 4.410 4.527 0.001 0.000 0.299 192 F C 2.524 178.305 175.800 -0.032 0.000 1.097 192 F CA 1.012 59.005 58.000 -0.011 0.000 1.264 192 F CB -0.734 38.281 39.000 0.025 0.000 1.001 192 F HN -0.075 nan 8.300 nan 0.000 0.479 193 A N -0.489 122.439 122.820 0.181 0.000 1.898 193 A HA -0.145 4.176 4.320 0.001 0.000 0.216 193 A C 2.330 179.930 177.584 0.026 0.000 1.181 193 A CA 1.958 54.045 52.037 0.084 0.000 0.620 193 A CB -1.041 18.001 19.000 0.070 0.000 0.819 193 A HN 0.343 nan 8.150 nan 0.000 0.442 194 S N -0.278 115.427 115.700 0.008 0.000 2.383 194 S HA -0.092 4.379 4.470 0.001 0.000 0.227 194 S C 1.771 176.336 174.600 -0.060 0.000 1.026 194 S CA 1.241 59.426 58.200 -0.025 0.000 0.981 194 S CB -0.477 62.705 63.200 -0.031 0.000 0.818 194 S HN 0.284 nan 8.310 nan 0.000 0.472 195 V N 1.843 121.711 119.914 -0.077 0.000 2.427 195 V HA -0.160 3.961 4.120 0.001 0.000 0.248 195 V C 2.699 178.708 176.094 -0.141 0.000 1.051 195 V CA 1.845 64.069 62.300 -0.127 0.000 1.048 195 V CB -0.646 31.082 31.823 -0.158 0.000 0.666 195 V HN 0.383 nan 8.190 nan 0.000 0.456 196 Q N 0.690 120.433 119.800 -0.095 0.000 2.079 196 Q HA -0.161 4.179 4.340 0.001 0.000 0.200 196 Q C 1.853 177.789 176.000 -0.108 0.000 0.974 196 Q CA 2.287 58.027 55.803 -0.106 0.000 0.840 196 Q CB -0.425 28.279 28.738 -0.056 0.000 0.898 196 Q HN 0.785 nan 8.270 nan 0.000 0.430 197 N N -0.697 117.958 118.700 -0.075 0.000 2.080 197 N HA -0.073 4.668 4.740 0.001 0.000 0.189 197 N C 1.717 177.177 175.510 -0.084 0.000 1.036 197 N CA 1.316 54.328 53.050 -0.063 0.000 0.846 197 N CB -0.133 38.332 38.487 -0.036 0.000 1.015 197 N HN 0.184 nan 8.380 nan 0.000 0.423 198 I N 0.629 121.142 120.570 -0.096 0.000 2.194 198 I HA -0.264 3.906 4.170 0.001 0.000 0.246 198 I C 1.762 177.792 176.117 -0.145 0.000 1.093 198 I CA 1.029 62.267 61.300 -0.103 0.000 1.355 198 I CB -0.084 37.852 38.000 -0.107 0.000 1.046 198 I HN 0.147 nan 8.210 nan 0.000 0.413 199 I N 0.616 121.048 120.570 -0.230 0.000 2.315 199 I HA -0.260 3.911 4.170 0.001 0.000 0.248 199 I C 1.991 177.967 176.117 -0.235 0.000 1.117 199 I CA 1.710 62.774 61.300 -0.393 0.000 1.404 199 I CB -0.603 37.007 38.000 -0.650 0.000 1.071 199 I HN 0.202 nan 8.210 nan 0.000 0.419 200 N N 0.107 118.719 118.700 -0.146 0.000 2.309 200 N HA -0.140 4.601 4.740 0.001 0.000 0.182 200 N C 1.021 176.513 175.510 -0.030 0.000 1.018 200 N CA 0.887 53.897 53.050 -0.066 0.000 0.876 200 N CB -0.165 38.291 38.487 -0.052 0.000 0.972 200 N HN 0.388 nan 8.380 nan 0.000 0.434 201 N N -0.526 118.149 118.700 -0.041 0.000 2.336 201 N HA 0.039 4.779 4.740 0.001 0.000 0.189 201 N C -0.555 174.953 175.510 -0.004 0.000 1.113 201 N CA -0.068 52.971 53.050 -0.018 0.000 0.858 201 N CB 0.582 39.055 38.487 -0.023 0.000 0.970 201 N HN -0.073 nan 8.380 nan 0.000 0.471 202 S N 1.330 117.032 115.700 0.003 0.000 2.400 202 S HA 0.013 4.483 4.470 0.001 0.000 0.295 202 S C 1.383 176.031 174.600 0.081 0.000 1.113 202 S CA -0.704 57.522 58.200 0.043 0.000 1.064 202 S CB 0.351 63.592 63.200 0.068 0.000 0.990 202 S HN 0.248 nan 8.310 nan 0.000 0.502 203 E N 5.320 125.549 120.200 0.049 0.000 2.085 203 E HA -0.237 4.114 4.350 0.001 0.000 0.194 203 E C 1.163 177.791 176.600 0.046 0.000 0.994 203 E CA 1.553 57.977 56.400 0.040 0.000 0.801 203 E CB -0.558 29.154 29.700 0.021 0.000 0.743 203 E HN 0.865 nan 8.360 nan 0.000 0.453 204 E N 0.004 120.236 120.200 0.053 0.000 2.017 204 E HA -0.136 4.214 4.350 0.001 0.000 0.193 204 E C 2.003 178.636 176.600 0.055 0.000 0.997 204 E CA 1.261 57.687 56.400 0.043 0.000 0.804 204 E CB -0.435 29.291 29.700 0.045 0.000 0.757 204 E HN 0.252 nan 8.360 nan 0.000 0.448 205 F N 1.501 121.433 119.950 -0.030 0.000 2.154 205 F HA -0.235 4.293 4.527 0.001 0.000 0.301 205 F C 2.174 177.955 175.800 -0.030 0.000 1.087 205 F CA 1.393 59.373 58.000 -0.035 0.000 1.274 205 F CB -0.219 38.755 39.000 -0.042 0.000 1.009 205 F HN -0.040 nan 8.300 nan 0.000 0.485 206 A N 0.087 123.007 122.820 0.167 0.000 1.933 206 A HA -0.054 4.267 4.320 0.001 0.000 0.218 206 A C 2.408 179.970 177.584 -0.038 0.000 1.175 206 A CA 1.705 53.787 52.037 0.075 0.000 0.628 206 A CB -1.473 17.574 19.000 0.078 0.000 0.814 206 A HN 0.468 nan 8.150 nan 0.000 0.444 207 A N -0.143 122.652 122.820 -0.043 0.000 1.898 207 A HA 0.213 4.534 4.320 0.001 0.000 0.216 207 A C 2.517 180.027 177.584 -0.122 0.000 1.181 207 A CA 1.935 53.933 52.037 -0.064 0.000 0.620 207 A CB -1.060 17.916 19.000 -0.040 0.000 0.819 207 A HN 1.044 nan 8.150 nan 0.000 0.442 208 A N -0.556 122.149 122.820 -0.192 0.000 1.892 208 A HA -0.099 4.222 4.320 0.001 0.000 0.218 208 A C 2.247 179.640 177.584 -0.318 0.000 1.188 208 A CA 1.978 53.849 52.037 -0.276 0.000 0.631 208 A CB -1.091 17.670 19.000 -0.398 0.000 0.822 208 A HN 0.432 nan 8.150 nan 0.000 0.447 209 V N 0.042 119.702 119.914 -0.423 0.000 2.407 209 V HA -0.230 3.890 4.120 0.001 0.000 0.248 209 V C 2.598 178.609 176.094 -0.140 0.000 1.055 209 V CA 2.512 64.632 62.300 -0.301 0.000 1.049 209 V CB -0.511 31.161 31.823 -0.251 0.000 0.662 209 V HN 0.693 nan 8.190 nan 0.000 0.455 210 K N 1.486 121.822 120.400 -0.107 0.000 2.057 210 K HA -0.194 4.126 4.320 0.001 0.000 0.206 210 K C 2.145 178.712 176.600 -0.055 0.000 1.050 210 K CA 1.904 58.155 56.287 -0.059 0.000 0.935 210 K CB -0.388 32.086 32.500 -0.044 0.000 0.715 210 K HN 0.561 nan 8.250 nan 0.000 0.439 211 K N 0.160 120.518 120.400 -0.070 0.000 2.217 211 K HA -0.076 4.244 4.320 0.001 0.000 0.202 211 K C 0.936 177.506 176.600 -0.050 0.000 1.051 211 K CA 0.865 57.119 56.287 -0.055 0.000 0.952 211 K CB -0.064 32.401 32.500 -0.058 0.000 0.736 211 K HN 0.009 nan 8.250 nan 0.000 0.453 212 R N 0.745 121.206 120.500 -0.065 0.000 2.849 212 R HA 0.051 4.392 4.340 0.001 0.000 0.238 212 R C 0.431 176.715 176.300 -0.027 0.000 1.403 212 R CA 0.436 56.507 56.100 -0.048 0.000 1.303 212 R CB -0.268 29.993 30.300 -0.065 0.000 1.191 212 R HN 0.633 nan 8.270 nan 0.000 0.533 213 G N 0.495 109.282 108.800 -0.023 0.000 2.162 213 G HA2 -0.311 3.650 3.960 0.001 0.000 0.260 213 G HA3 -0.311 3.650 3.960 0.001 0.000 0.260 213 G C 0.680 175.576 174.900 -0.006 0.000 0.976 213 G CA 0.179 45.273 45.100 -0.009 0.000 0.655 213 G HN 0.308 nan 8.290 nan 0.000 0.533 214 I N 1.206 121.768 120.570 -0.013 0.000 2.086 214 I HA 0.155 4.326 4.170 0.001 0.000 0.233 214 I C 1.692 177.809 176.117 0.000 0.000 1.060 214 I CA 2.481 63.779 61.300 -0.003 0.000 1.326 214 I CB -0.747 37.250 38.000 -0.005 0.000 1.067 214 I HN 0.589 nan 8.210 nan 0.000 0.398 215 T N 1.021 115.573 114.554 -0.003 0.000 0.541 215 T HA -0.144 4.207 4.350 0.001 0.000 0.774 215 T C -0.057 174.646 174.700 0.006 0.000 0.992 215 T CA 0.028 62.129 62.100 0.001 0.000 4.077 215 T CB -0.528 68.341 68.868 0.001 0.000 2.303 215 T HN 0.655 nan 8.240 nan 0.000 0.398 216 D N 1.085 121.490 120.400 0.007 0.000 4.370 216 D HA -0.260 4.381 4.640 0.001 0.000 0.135 216 D C 1.255 177.567 176.300 0.019 0.000 0.780 216 D CA 3.763 57.769 54.000 0.010 0.000 1.097 216 D CB -1.577 39.228 40.800 0.008 0.000 0.577 216 D HN 2.312 nan 8.370 nan 0.000 0.570 217 A N -1.546 121.289 122.820 0.025 0.000 3.435 217 A HA -0.196 4.124 4.320 0.001 0.000 0.204 217 A C 1.456 179.061 177.584 0.034 0.000 0.746 217 A CA 1.583 53.648 52.037 0.046 0.000 2.135 217 A CB -1.684 17.353 19.000 0.062 0.000 0.639 217 A HN 0.438 nan 8.150 nan 0.000 0.618 218 K N 0.467 120.878 120.400 0.019 0.000 2.293 218 K HA -0.143 4.178 4.320 0.001 0.000 0.204 218 K C 1.314 177.914 176.600 0.000 0.000 1.045 218 K CA 1.637 57.928 56.287 0.006 0.000 0.933 218 K CB -0.241 32.262 32.500 0.004 0.000 0.736 218 K HN 0.654 nan 8.250 nan 0.000 0.463 219 K N 0.722 121.127 120.400 0.008 0.000 2.404 219 K HA 0.082 4.403 4.320 0.001 0.000 0.194 219 K C -0.249 176.355 176.600 0.006 0.000 1.023 219 K CA -0.045 56.245 56.287 0.004 0.000 1.094 219 K CB 0.678 33.183 32.500 0.008 0.000 0.841 219 K HN -0.114 nan 8.250 nan 0.000 0.523 220 V N 2.669 122.591 119.914 0.012 0.000 2.432 220 V HA 0.097 4.218 4.120 0.001 0.000 0.271 220 V C -0.061 175.995 176.094 -0.063 0.000 1.046 220 V CA -0.490 61.820 62.300 0.016 0.000 0.945 220 V CB 0.593 32.471 31.823 0.092 0.000 0.992 220 V HN 0.051 nan 8.190 nan 0.000 0.471 221 I N 5.264 125.761 120.570 -0.121 0.000 2.331 221 I HA 0.407 4.577 4.170 0.001 0.000 0.292 221 I C 0.742 176.726 176.117 -0.222 0.000 0.998 221 I CA 0.142 61.267 61.300 -0.292 0.000 1.267 221 I CB 1.717 39.279 38.000 -0.731 0.000 1.386 221 I HN 0.793 nan 8.210 nan 0.000 0.476 222 T N 1.296 115.726 114.554 -0.206 0.000 2.943 222 T HA 0.735 5.086 4.350 0.001 0.000 0.284 222 T C -0.104 174.529 174.700 -0.113 0.000 1.015 222 T CA -0.703 61.306 62.100 -0.152 0.000 1.042 222 T CB 1.734 70.494 68.868 -0.181 0.000 1.055 222 T HN 0.590 nan 8.240 nan 0.000 0.500 223 T N 2.116 116.644 114.554 -0.043 0.000 2.916 223 T HA 0.635 4.986 4.350 0.001 0.000 0.298 223 T C -3.100 171.576 174.700 -0.041 0.000 1.031 223 T CA -1.826 60.292 62.100 0.031 0.000 0.993 223 T CB 1.455 70.452 68.868 0.216 0.000 1.045 223 T HN 0.533 nan 8.240 nan 0.000 0.454 224 P HA 0.605 nan 4.420 nan 0.000 0.290 224 P C -1.181 176.075 177.300 -0.072 0.000 1.276 224 P CA -0.554 62.403 63.100 -0.238 0.000 0.808 224 P CB 0.802 32.166 31.700 -0.560 0.000 0.966 225 L N 1.476 122.658 121.223 -0.068 0.000 2.422 225 L HA 0.523 4.864 4.340 0.001 0.000 0.264 225 L C 0.817 177.650 176.870 -0.061 0.000 0.984 225 L CA -0.828 53.994 54.840 -0.030 0.000 0.819 225 L CB 2.335 44.395 42.059 0.001 0.000 1.330 225 L HN 0.331 nan 8.230 nan 0.000 0.410 226 T N -1.685 112.823 114.554 -0.078 0.000 2.788 226 T HA 0.261 4.612 4.350 0.001 0.000 0.287 226 T C 0.917 175.623 174.700 0.009 0.000 1.007 226 T CA -0.219 61.824 62.100 -0.096 0.000 1.005 226 T CB 1.441 70.233 68.868 -0.127 0.000 1.012 226 T HN 0.495 nan 8.240 nan 0.000 0.530 227 V N -2.071 117.814 119.914 -0.048 0.000 3.660 227 V HA 0.547 4.668 4.120 0.001 0.000 0.276 227 V C 1.458 177.617 176.094 0.108 0.000 1.317 227 V CA 0.474 62.770 62.300 -0.006 0.000 1.097 227 V CB -1.514 30.227 31.823 -0.138 0.000 0.863 227 V HN 1.617 nan 8.190 nan 0.000 0.438 228 G N 0.584 109.398 108.800 0.022 0.000 2.564 228 G HA2 -0.283 3.677 3.960 0.001 0.000 0.273 228 G HA3 -0.283 3.677 3.960 0.001 0.000 0.273 228 G C -0.585 174.290 174.900 -0.042 0.000 1.242 228 G CA 0.719 45.804 45.100 -0.025 0.000 0.951 228 G HN 1.427 nan 8.290 nan 0.000 0.564 229 Y N -0.754 119.259 120.300 -0.479 0.000 2.442 229 Y HA 0.634 5.184 4.550 0.001 0.000 0.330 229 Y C -0.667 174.643 175.900 -0.984 0.000 1.100 229 Y CA -1.696 56.080 58.100 -0.540 0.000 1.034 229 Y CB 1.144 39.329 38.460 -0.459 0.000 1.285 229 Y HN 0.533 nan 8.280 nan 0.000 0.440 230 F N 3.547 122.937 119.950 -0.933 0.000 2.811 230 F HA 0.211 4.739 4.527 0.001 0.000 0.342 230 F C 0.359 175.528 175.800 -1.053 0.000 1.203 230 F CA -0.602 56.878 58.000 -0.868 0.000 1.173 230 F CB 0.513 39.398 39.000 -0.191 0.000 1.094 230 F HN 0.602 nan 8.300 nan 0.000 0.510 231 D N 1.208 120.517 120.400 -1.819 0.000 2.697 231 D HA -0.187 4.454 4.640 0.001 0.000 0.235 231 D C 1.427 177.523 176.300 -0.340 0.000 1.167 231 D CA 1.397 54.809 54.000 -0.980 0.000 0.656 231 D CB -0.783 39.702 40.800 -0.524 0.000 1.025 231 D HN 0.762 nan 8.370 nan 0.000 0.419 232 G N 0.166 108.813 108.800 -0.255 0.000 2.302 232 G HA2 -0.496 3.464 3.960 0.001 0.000 0.263 232 G HA3 -0.496 3.464 3.960 0.001 0.000 0.263 232 G C 1.230 176.104 174.900 -0.043 0.000 0.995 232 G CA 0.878 45.931 45.100 -0.078 0.000 0.622 232 G HN 0.584 nan 8.290 nan 0.000 0.538 233 K N 0.756 121.134 120.400 -0.037 0.000 2.293 233 K HA -0.122 4.199 4.320 0.001 0.000 0.204 233 K C 1.880 178.439 176.600 -0.070 0.000 1.045 233 K CA 1.584 57.853 56.287 -0.031 0.000 0.933 233 K CB -0.195 32.306 32.500 0.001 0.000 0.736 233 K HN 0.714 nan 8.250 nan 0.000 0.463 234 D N -0.669 119.725 120.400 -0.010 0.000 2.349 234 D HA 0.010 4.650 4.640 0.001 0.000 0.215 234 D C 0.951 177.253 176.300 0.004 0.000 1.016 234 D CA 0.656 54.667 54.000 0.018 0.000 0.870 234 D CB -0.040 40.851 40.800 0.153 0.000 0.917 234 D HN 0.183 nan 8.370 nan 0.000 0.524 235 G N 0.439 109.234 108.800 -0.009 0.000 2.248 235 G HA2 -0.205 3.756 3.960 0.001 0.000 0.263 235 G HA3 -0.205 3.756 3.960 0.001 0.000 0.263 235 G C -0.344 174.547 174.900 -0.015 0.000 1.082 235 G CA 0.199 45.290 45.100 -0.016 0.000 0.863 235 G HN 0.396 nan 8.290 nan 0.000 0.495 236 L N -0.396 120.824 121.223 -0.005 0.000 2.409 236 L HA 0.435 4.776 4.340 0.001 0.000 0.272 236 L C 0.435 177.309 176.870 0.006 0.000 0.980 236 L CA -1.122 53.711 54.840 -0.012 0.000 0.826 236 L CB 1.836 43.881 42.059 -0.022 0.000 1.268 236 L HN 0.081 nan 8.230 nan 0.000 0.407 237 K N 1.769 122.170 120.400 0.001 0.000 2.412 237 K HA 0.014 4.335 4.320 0.001 0.000 0.281 237 K C 0.548 177.169 176.600 0.034 0.000 1.027 237 K CA -0.333 55.963 56.287 0.014 0.000 0.989 237 K CB 0.933 33.435 32.500 0.004 0.000 0.935 237 K HN 0.366 nan 8.250 nan 0.000 0.475 238 Q N 2.148 121.980 119.800 0.053 0.000 2.291 238 Q HA -0.159 4.182 4.340 0.001 0.000 0.205 238 Q C 0.502 176.574 176.000 0.120 0.000 0.970 238 Q CA 1.776 57.627 55.803 0.080 0.000 0.876 238 Q CB 0.064 28.842 28.738 0.066 0.000 0.935 238 Q HN 0.716 nan 8.270 nan 0.000 0.455 239 D N -2.107 118.332 120.400 0.064 0.000 2.433 239 D HA 0.227 4.868 4.640 0.001 0.000 0.211 239 D C -0.100 176.211 176.300 0.018 0.000 1.114 239 D CA 0.142 54.152 54.000 0.018 0.000 0.837 239 D CB -0.357 40.418 40.800 -0.042 0.000 0.984 239 D HN 0.145 nan 8.370 nan 0.000 0.505 240 A N 0.823 123.674 122.820 0.051 0.000 2.322 240 A HA 0.460 4.780 4.320 0.001 0.000 0.269 240 A C 0.259 177.890 177.584 0.077 0.000 1.094 240 A CA -0.693 51.355 52.037 0.019 0.000 0.807 240 A CB 0.442 19.435 19.000 -0.011 0.000 1.047 240 A HN 0.173 nan 8.150 nan 0.000 0.487 241 R N 2.154 122.660 120.500 0.010 0.000 2.205 241 R HA 0.538 4.878 4.340 0.001 0.000 0.342 241 R C -1.346 174.916 176.300 -0.063 0.000 1.058 241 R CA -0.054 56.051 56.100 0.009 0.000 0.904 241 R CB -0.149 30.129 30.300 -0.036 0.000 1.089 241 R HN 0.679 nan 8.270 nan 0.000 0.471 242 L N 5.384 126.543 121.223 -0.107 0.000 2.333 242 L HA 0.639 4.980 4.340 0.001 0.000 0.263 242 L C -0.835 175.936 176.870 -0.165 0.000 1.014 242 L CA -1.270 53.490 54.840 -0.133 0.000 0.820 242 L CB 2.135 44.114 42.059 -0.133 0.000 1.352 242 L HN 0.517 nan 8.230 nan 0.000 0.421 243 L N 1.109 122.231 121.223 -0.168 0.000 2.445 243 L HA 0.504 4.845 4.340 0.001 0.000 0.262 243 L C -0.687 176.066 176.870 -0.196 0.000 0.974 243 L CA -0.732 53.997 54.840 -0.184 0.000 0.822 243 L CB 2.666 44.610 42.059 -0.192 0.000 1.339 243 L HN 0.504 nan 8.230 nan 0.000 0.409 244 K N 1.067 121.337 120.400 -0.217 0.000 2.098 244 K HA 0.684 5.005 4.320 0.001 0.000 0.257 244 K C -1.114 175.398 176.600 -0.147 0.000 0.999 244 K CA -0.629 55.506 56.287 -0.253 0.000 0.924 244 K CB 2.014 34.195 32.500 -0.532 0.000 1.028 244 K HN 0.231 nan 8.250 nan 0.000 0.466 245 V N 3.932 123.768 119.914 -0.131 0.000 2.447 245 V HA 0.242 4.363 4.120 0.001 0.000 0.292 245 V C -0.776 175.270 176.094 -0.080 0.000 1.021 245 V CA -0.892 61.338 62.300 -0.115 0.000 0.850 245 V CB 1.309 33.032 31.823 -0.167 0.000 1.005 245 V HN 0.583 nan 8.190 nan 0.000 0.426 246 I N 3.830 124.351 120.570 -0.083 0.000 2.428 246 I HA 0.596 4.767 4.170 0.001 0.000 0.296 246 I C 0.514 176.512 176.117 -0.198 0.000 0.985 246 I CA 0.090 61.301 61.300 -0.149 0.000 1.260 246 I CB 1.981 39.872 38.000 -0.180 0.000 1.389 246 I HN 0.644 nan 8.210 nan 0.000 0.484 247 S N 5.962 121.488 115.700 -0.291 0.000 2.536 247 S HA 0.760 5.230 4.470 0.001 0.000 0.298 247 S C -1.109 173.183 174.600 -0.513 0.000 1.083 247 S CA -0.639 57.417 58.200 -0.240 0.000 0.995 247 S CB 1.765 64.988 63.200 0.037 0.000 1.058 247 S HN 0.331 nan 8.310 nan 0.000 0.488 248 Y N 0.351 120.639 120.300 -0.019 0.000 2.570 248 Y HA 0.653 5.203 4.550 0.001 0.000 0.345 248 Y C -0.449 175.482 175.900 0.052 0.000 1.014 248 Y CA -1.239 56.897 58.100 0.060 0.000 1.063 248 Y CB 0.932 39.461 38.460 0.115 0.000 1.272 248 Y HN 0.500 nan 8.280 nan 0.000 0.477 249 L N 2.077 123.482 121.223 0.302 0.000 2.334 249 L HA 0.400 4.741 4.340 0.001 0.000 0.277 249 L C -0.680 176.302 176.870 0.187 0.000 1.075 249 L CA -0.362 54.586 54.840 0.181 0.000 0.804 249 L CB 0.883 43.020 42.059 0.130 0.000 1.174 249 L HN 0.624 nan 8.230 nan 0.000 0.438 250 D N 3.076 123.528 120.400 0.087 0.000 2.317 250 D HA 0.210 4.851 4.640 0.001 0.000 0.234 250 D C 0.099 176.387 176.300 -0.020 0.000 1.112 250 D CA -0.043 53.999 54.000 0.070 0.000 0.840 250 D CB 1.432 42.260 40.800 0.047 0.000 1.078 250 D HN 0.333 nan 8.370 nan 0.000 0.486 251 V N 3.078 122.934 119.914 -0.097 0.000 3.528 251 V HA 0.271 4.392 4.120 0.001 0.000 0.294 251 V C 1.565 177.611 176.094 -0.080 0.000 1.404 251 V CA 0.559 62.762 62.300 -0.162 0.000 1.065 251 V CB 0.173 31.730 31.823 -0.443 0.000 0.904 251 V HN 0.929 nan 8.190 nan 0.000 0.435 252 G N 2.032 110.814 108.800 -0.030 0.000 2.132 252 G HA2 -0.237 3.724 3.960 0.001 0.000 0.234 252 G HA3 -0.237 3.724 3.960 0.001 0.000 0.234 252 G C 0.347 175.234 174.900 -0.022 0.000 0.989 252 G CA 0.474 45.564 45.100 -0.017 0.000 0.676 252 G HN 0.678 nan 8.290 nan 0.000 0.522 253 D N -0.391 120.003 120.400 -0.008 0.000 2.349 253 D HA 0.376 5.017 4.640 0.001 0.000 0.214 253 D C 1.805 178.039 176.300 -0.110 0.000 1.063 253 D CA 0.493 54.474 54.000 -0.031 0.000 0.847 253 D CB -0.514 40.304 40.800 0.030 0.000 0.933 253 D HN 1.522 nan 8.370 nan 0.000 0.513 254 G N 0.852 109.608 108.800 -0.073 0.000 2.162 254 G HA2 -0.331 3.629 3.960 0.001 0.000 0.260 254 G HA3 -0.331 3.629 3.960 0.001 0.000 0.260 254 G C 0.277 175.081 174.900 -0.160 0.000 0.976 254 G CA 0.253 45.273 45.100 -0.134 0.000 0.655 254 G HN 0.552 nan 8.290 nan 0.000 0.533 255 N N -0.021 118.657 118.700 -0.037 0.000 2.723 255 N HA 0.325 5.066 4.740 0.001 0.000 0.290 255 N C 1.200 176.750 175.510 0.066 0.000 1.882 255 N CA -0.303 52.770 53.050 0.038 0.000 0.851 255 N CB -0.199 38.318 38.487 0.051 0.000 1.234 255 N HN 0.397 nan 8.380 nan 0.000 0.491 256 Y N -0.857 119.498 120.300 0.091 0.000 2.241 256 Y HA -0.125 4.426 4.550 0.002 0.000 0.286 256 Y C 1.190 176.997 175.900 -0.155 0.000 1.166 256 Y CA 0.952 59.090 58.100 0.064 0.000 1.203 256 Y CB -0.943 37.441 38.460 -0.127 0.000 0.977 256 Y HN 0.216 nan 8.280 nan 0.000 0.529 257 W N 1.138 122.095 121.300 -0.571 0.000 2.359 257 W HA -0.090 4.570 4.660 0.001 0.000 0.275 257 W C 2.296 178.770 176.519 -0.075 0.000 1.217 257 W CA 1.481 58.476 57.345 -0.584 0.000 1.196 257 W CB -0.393 28.777 29.460 -0.483 0.000 1.129 257 W HN 0.236 nan 8.180 nan 0.000 0.566 258 A N -0.726 122.103 122.820 0.014 0.000 2.278 258 A HA 0.053 4.374 4.320 0.001 0.000 0.212 258 A C 0.167 177.463 177.584 -0.479 0.000 1.213 258 A CA 0.417 52.408 52.037 -0.077 0.000 0.840 258 A CB -0.582 18.233 19.000 -0.309 0.000 0.866 258 A HN 0.358 nan 8.150 nan 0.000 0.489 259 H N -0.017 119.307 119.070 0.424 0.000 2.597 259 H HA 0.213 4.769 4.556 0.001 0.000 0.225 259 H C -3.115 172.462 175.328 0.415 0.000 1.422 259 H CA -1.914 54.345 56.048 0.351 0.000 1.335 259 H CB -0.057 29.865 29.762 0.268 0.000 1.783 259 H HN 0.276 nan 8.280 nan 0.000 0.513 260 P HA 0.119 nan 4.420 nan 0.000 0.271 260 P C 0.399 177.750 177.300 0.084 0.000 1.216 260 P CA -0.229 63.002 63.100 0.219 0.000 0.776 260 P CB 1.472 33.302 31.700 0.217 0.000 0.881 261 I N 2.036 122.570 120.570 -0.060 0.000 2.281 261 I HA 0.197 4.368 4.170 0.001 0.000 0.293 261 I C 0.991 177.082 176.117 -0.044 0.000 1.085 261 I CA -0.352 60.933 61.300 -0.026 0.000 1.257 261 I CB 0.133 38.112 38.000 -0.036 0.000 1.430 261 I HN 0.266 nan 8.210 nan 0.000 0.489 262 E N 5.195 125.405 120.200 0.018 0.000 2.313 262 E HA 0.244 4.595 4.350 0.001 0.000 0.272 262 E C 0.025 176.654 176.600 0.048 0.000 1.038 262 E CA -0.115 56.321 56.400 0.060 0.000 0.863 262 E CB 0.465 30.236 29.700 0.118 0.000 1.060 262 E HN 0.499 nan 8.360 nan 0.000 0.402 263 N N 0.829 119.575 118.700 0.076 0.000 2.776 263 N HA -0.243 4.497 4.740 0.001 0.000 0.249 263 N C -1.350 174.169 175.510 0.016 0.000 1.111 263 N CA 0.305 53.394 53.050 0.066 0.000 0.711 263 N CB -0.944 37.579 38.487 0.059 0.000 1.065 263 N HN 0.226 nan 8.380 nan 0.000 0.556 264 L N 0.507 121.725 121.223 -0.008 0.000 2.406 264 L HA 0.700 5.041 4.340 0.001 0.000 0.272 264 L C -1.128 175.743 176.870 0.001 0.000 0.980 264 L CA -0.830 53.993 54.840 -0.027 0.000 0.831 264 L CB 2.035 44.045 42.059 -0.081 0.000 1.253 264 L HN -0.135 nan 8.230 nan 0.000 0.406 265 V N 3.781 123.705 119.914 0.017 0.000 2.789 265 V HA 0.953 5.074 4.120 0.001 0.000 0.311 265 V C -0.328 175.780 176.094 0.024 0.000 1.073 265 V CA -0.334 61.967 62.300 0.001 0.000 0.921 265 V CB 1.757 33.554 31.823 -0.043 0.000 1.009 265 V HN 0.947 nan 8.190 nan 0.000 0.426 266 A N 3.511 126.335 122.820 0.006 0.000 2.371 266 A HA 0.879 5.199 4.320 0.001 0.000 0.311 266 A C -1.012 176.512 177.584 -0.100 0.000 1.068 266 A CA -0.583 51.455 52.037 0.001 0.000 0.744 266 A CB 1.806 20.834 19.000 0.047 0.000 1.239 266 A HN 0.669 nan 8.150 nan 0.000 0.435 267 V N 2.655 122.507 119.914 -0.104 0.000 2.407 267 V HA 0.460 4.580 4.120 0.001 0.000 0.278 267 V C -0.213 175.813 176.094 -0.114 0.000 1.037 267 V CA -0.341 61.876 62.300 -0.138 0.000 0.900 267 V CB 1.272 33.014 31.823 -0.135 0.000 0.983 267 V HN 0.636 nan 8.190 nan 0.000 0.459 268 V N 3.557 123.394 119.914 -0.128 0.000 2.555 268 V HA 0.424 4.545 4.120 0.001 0.000 0.302 268 V C -0.300 175.731 176.094 -0.103 0.000 1.038 268 V CA -0.712 61.520 62.300 -0.113 0.000 0.887 268 V CB 2.043 33.789 31.823 -0.128 0.000 0.991 268 V HN 0.833 nan 8.190 nan 0.000 0.434 269 D N 3.261 123.611 120.400 -0.083 0.000 2.313 269 D HA 0.335 4.975 4.640 0.001 0.000 0.239 269 D C 0.828 177.086 176.300 -0.071 0.000 1.142 269 D CA -0.147 53.809 54.000 -0.073 0.000 0.847 269 D CB 1.769 42.535 40.800 -0.057 0.000 1.082 269 D HN 0.438 nan 8.370 nan 0.000 0.480 270 L N 2.987 124.165 121.223 -0.075 0.000 2.156 270 L HA -0.080 4.261 4.340 0.001 0.000 0.208 270 L C 2.219 179.055 176.870 -0.056 0.000 1.095 270 L CA 0.511 55.309 54.840 -0.070 0.000 0.770 270 L CB -0.067 41.946 42.059 -0.077 0.000 0.914 270 L HN 0.388 nan 8.230 nan 0.000 0.439 271 E N 0.440 120.605 120.200 -0.058 0.000 2.017 271 E HA -0.228 4.123 4.350 0.001 0.000 0.193 271 E C 2.140 178.717 176.600 -0.037 0.000 0.997 271 E CA 1.212 57.582 56.400 -0.049 0.000 0.804 271 E CB -0.315 29.351 29.700 -0.057 0.000 0.757 271 E HN 0.550 nan 8.360 nan 0.000 0.448 272 Q N 0.556 120.333 119.800 -0.038 0.000 2.234 272 Q HA -0.112 4.229 4.340 0.001 0.000 0.206 272 Q C 0.123 176.103 176.000 -0.033 0.000 0.980 272 Q CA 0.597 56.381 55.803 -0.032 0.000 0.869 272 Q CB -0.162 28.556 28.738 -0.033 0.000 0.912 272 Q HN 0.206 nan 8.270 nan 0.000 0.436 273 K N 1.006 121.382 120.400 -0.041 0.000 3.244 273 K HA -0.204 4.117 4.320 0.001 0.000 0.270 273 K C -0.803 175.770 176.600 -0.044 0.000 1.016 273 K CA 0.880 57.142 56.287 -0.043 0.000 0.754 273 K CB -1.396 31.085 32.500 -0.031 0.000 1.326 273 K HN 0.385 nan 8.250 nan 0.000 0.465 274 K N -1.314 119.055 120.400 -0.051 0.000 2.607 274 K HA 0.445 4.766 4.320 0.001 0.000 0.287 274 K C -0.745 175.822 176.600 -0.057 0.000 0.996 274 K CA -1.151 55.106 56.287 -0.049 0.000 0.876 274 K CB 1.104 33.583 32.500 -0.034 0.000 1.496 274 K HN 0.005 nan 8.250 nan 0.000 0.415 275 I N 2.923 123.462 120.570 -0.051 0.000 2.436 275 I HA -0.019 4.152 4.170 0.001 0.000 0.289 275 I C 1.404 177.500 176.117 -0.034 0.000 1.083 275 I CA -0.484 60.788 61.300 -0.048 0.000 1.372 275 I CB 1.322 39.306 38.000 -0.026 0.000 1.408 275 I HN 0.611 nan 8.210 nan 0.000 0.516 276 V N 2.609 122.497 119.914 -0.043 0.000 3.052 276 V HA 0.197 4.318 4.120 0.001 0.000 0.254 276 V C 0.675 176.750 176.094 -0.032 0.000 1.100 276 V CA 0.693 62.970 62.300 -0.037 0.000 1.112 276 V CB -0.499 31.298 31.823 -0.044 0.000 0.738 276 V HN 0.793 nan 8.190 nan 0.000 0.469 277 K N -0.113 120.267 120.400 -0.035 0.000 2.562 277 K HA 0.600 4.921 4.320 0.001 0.000 0.267 277 K C -2.037 174.552 176.600 -0.019 0.000 0.938 277 K CA -0.784 55.485 56.287 -0.030 0.000 0.840 277 K CB 2.649 35.122 32.500 -0.044 0.000 1.390 277 K HN 0.191 nan 8.250 nan 0.000 0.428 278 I N 3.802 124.368 120.570 -0.007 0.000 2.468 278 I HA 0.215 4.386 4.170 0.001 0.000 0.284 278 I C -0.526 175.586 176.117 -0.008 0.000 1.038 278 I CA -0.706 60.599 61.300 0.010 0.000 1.083 278 I CB 1.914 39.929 38.000 0.025 0.000 1.223 278 I HN 0.555 nan 8.210 nan 0.000 0.443 279 E N 6.581 126.775 120.200 -0.011 0.000 2.227 279 E HA 0.398 4.749 4.350 0.001 0.000 0.282 279 E C -0.792 175.806 176.600 -0.003 0.000 1.015 279 E CA -0.492 55.907 56.400 -0.002 0.000 0.823 279 E CB 1.739 31.447 29.700 0.014 0.000 1.081 279 E HN 0.504 nan 8.360 nan 0.000 0.396 280 E N 1.468 121.664 120.200 -0.007 0.000 2.234 280 E HA 0.486 4.837 4.350 0.001 0.000 0.266 280 E C -0.385 176.215 176.600 -0.000 0.000 0.877 280 E CA -0.675 55.715 56.400 -0.017 0.000 0.758 280 E CB 2.221 31.899 29.700 -0.036 0.000 1.170 280 E HN 0.601 nan 8.360 nan 0.000 0.415 281 G N 2.266 111.071 108.800 0.009 0.000 3.209 281 G HA2 0.538 4.499 3.960 0.001 0.000 0.236 281 G HA3 0.538 4.499 3.960 0.001 0.000 0.236 281 G C -2.642 172.265 174.900 0.012 0.000 1.329 281 G CA -1.335 43.778 45.100 0.021 0.000 1.015 281 G HN 0.245 nan 8.290 nan 0.000 0.571 282 P HA 0.215 nan 4.420 nan 0.000 0.266 282 P C -0.134 177.173 177.300 0.011 0.000 1.195 282 P CA -0.314 62.794 63.100 0.014 0.000 0.768 282 P CB 0.799 32.511 31.700 0.021 0.000 0.838 283 V N 4.350 124.266 119.914 0.002 0.000 2.521 283 V HA 0.089 4.210 4.120 0.001 0.000 0.286 283 V C 0.439 176.540 176.094 0.011 0.000 1.034 283 V CA 0.276 62.576 62.300 -0.001 0.000 1.045 283 V CB 0.918 32.735 31.823 -0.010 0.000 0.974 283 V HN 0.231 nan 8.190 nan 0.000 0.480 284 V N 7.384 127.310 119.914 0.019 0.000 2.531 284 V HA 0.376 4.496 4.120 0.001 0.000 0.301 284 V C -2.323 173.792 176.094 0.035 0.000 1.034 284 V CA -1.837 60.481 62.300 0.030 0.000 0.865 284 V CB 2.040 33.889 31.823 0.044 0.000 0.995 284 V HN 0.766 nan 8.190 nan 0.000 0.424 285 P HA 0.110 nan 4.420 nan 0.000 0.267 285 P C -0.323 177.017 177.300 0.067 0.000 1.205 285 P CA -0.038 63.088 63.100 0.043 0.000 0.765 285 P CB 0.417 32.141 31.700 0.039 0.000 0.828 286 V N 6.819 126.777 119.914 0.074 0.000 2.493 286 V HA 0.035 4.156 4.120 0.001 0.000 0.292 286 V C -1.785 174.396 176.094 0.145 0.000 1.016 286 V CA -0.961 61.408 62.300 0.116 0.000 1.097 286 V CB -0.291 31.599 31.823 0.112 0.000 0.947 286 V HN 0.572 nan 8.190 nan 0.000 0.479 287 P HA 0.162 nan 4.420 nan 0.000 0.266 287 P C 0.354 177.854 177.300 0.333 0.000 1.215 287 P CA 0.063 63.301 63.100 0.230 0.000 0.763 287 P CB 0.483 32.324 31.700 0.234 0.000 0.806 288 M N 0.133 119.879 119.600 0.244 0.000 2.421 288 M HA 0.076 4.556 4.480 0.001 0.000 0.258 288 M C 0.401 176.807 176.300 0.176 0.000 1.122 288 M CA 0.561 55.960 55.300 0.165 0.000 1.078 288 M CB -0.779 31.868 32.600 0.078 0.000 1.380 288 M HN 0.145 nan 8.290 nan 0.000 0.499 289 T N 2.292 116.988 114.554 0.236 0.000 2.946 289 T HA 0.293 4.644 4.350 0.001 0.000 0.311 289 T C 0.433 175.303 174.700 0.282 0.000 1.063 289 T CA -0.145 62.084 62.100 0.214 0.000 1.139 289 T CB 0.650 69.645 68.868 0.212 0.000 0.994 289 T HN 0.353 nan 8.240 nan 0.000 0.547 290 A N 4.052 126.978 122.820 0.176 0.000 2.488 290 A HA 0.350 4.671 4.320 0.001 0.000 0.249 290 A C 0.732 178.414 177.584 0.162 0.000 1.083 290 A CA -0.243 51.891 52.037 0.161 0.000 0.768 290 A CB 0.175 19.217 19.000 0.070 0.000 1.017 290 A HN 0.759 nan 8.150 nan 0.000 0.496 291 R N 3.126 123.722 120.500 0.161 0.000 2.674 291 R HA 0.231 4.572 4.340 0.001 0.000 0.270 291 R C -3.011 173.255 176.300 -0.057 0.000 1.492 291 R CA -1.405 54.713 56.100 0.029 0.000 1.624 291 R CB 1.045 31.339 30.300 -0.010 0.000 1.307 291 R HN 0.573 nan 8.270 nan 0.000 0.683 292 P HA 0.002 nan 4.420 nan 0.000 0.269 292 P C 0.179 177.377 177.300 -0.170 0.000 1.209 292 P CA -0.027 62.953 63.100 -0.201 0.000 0.776 292 P CB 0.365 31.961 31.700 -0.173 0.000 0.876 293 F N 0.267 120.141 119.950 -0.127 0.000 2.704 293 F HA 0.222 4.750 4.527 0.001 0.000 0.304 293 F C 0.992 176.734 175.800 -0.097 0.000 1.094 293 F CA -0.289 57.623 58.000 -0.145 0.000 1.275 293 F CB -0.923 37.959 39.000 -0.198 0.000 1.073 293 F HN 0.100 nan 8.300 nan 0.000 0.586 294 D N -0.074 120.185 120.400 -0.235 0.000 2.328 294 D HA 0.205 4.846 4.640 0.001 0.000 0.226 294 D C 1.889 178.167 176.300 -0.037 0.000 1.066 294 D CA 0.536 54.494 54.000 -0.071 0.000 0.861 294 D CB -0.166 40.525 40.800 -0.183 0.000 0.912 294 D HN 0.476 nan 8.370 nan 0.000 0.521 295 G N 1.809 110.585 108.800 -0.040 0.000 2.176 295 G HA2 -0.439 3.522 3.960 0.001 0.000 0.253 295 G HA3 -0.439 3.522 3.960 0.001 0.000 0.253 295 G C 1.227 176.107 174.900 -0.034 0.000 0.979 295 G CA 0.451 45.537 45.100 -0.024 0.000 0.641 295 G HN 0.578 nan 8.290 nan 0.000 0.530 296 R N 0.632 121.098 120.500 -0.057 0.000 2.139 296 R HA -0.117 4.224 4.340 0.001 0.000 0.243 296 R C 1.457 177.739 176.300 -0.031 0.000 1.145 296 R CA 2.131 58.202 56.100 -0.047 0.000 0.976 296 R CB -0.515 29.747 30.300 -0.065 0.000 0.866 296 R HN 0.453 nan 8.270 nan 0.000 0.449 297 D N -0.242 120.140 120.400 -0.030 0.000 2.368 297 D HA 0.084 4.724 4.640 0.001 0.000 0.218 297 D C -0.127 176.168 176.300 -0.008 0.000 1.112 297 D CA -0.267 53.724 54.000 -0.015 0.000 0.834 297 D CB 0.183 40.976 40.800 -0.012 0.000 0.953 297 D HN 0.014 nan 8.370 nan 0.000 0.505 298 R N 0.123 120.617 120.500 -0.010 0.000 2.787 298 R HA 0.517 4.858 4.340 0.001 0.000 0.271 298 R C -0.495 175.804 176.300 -0.001 0.000 0.993 298 R CA -1.098 55.000 56.100 -0.003 0.000 0.993 298 R CB 1.783 32.081 30.300 -0.003 0.000 1.155 298 R HN -0.113 nan 8.270 nan 0.000 0.486 299 V N 1.967 121.882 119.914 0.002 0.000 2.488 299 V HA 0.200 4.320 4.120 0.001 0.000 0.277 299 V C 0.679 176.775 176.094 0.003 0.000 1.046 299 V CA -0.674 61.628 62.300 0.003 0.000 0.986 299 V CB 1.069 32.895 31.823 0.005 0.000 0.989 299 V HN 0.843 nan 8.190 nan 0.000 0.475 300 A N 8.458 131.279 122.820 0.003 0.000 2.524 300 A HA 0.480 4.800 4.320 0.001 0.000 0.250 300 A C -1.599 175.988 177.584 0.005 0.000 1.078 300 A CA -0.749 51.290 52.037 0.004 0.000 0.761 300 A CB -0.433 18.569 19.000 0.004 0.000 1.012 300 A HN 0.746 nan 8.150 nan 0.000 0.500 301 P HA 0.428 nan 4.420 nan 0.000 0.279 301 P C -0.336 176.967 177.300 0.005 0.000 1.239 301 P CA -0.217 62.886 63.100 0.005 0.000 0.789 301 P CB 1.105 32.808 31.700 0.005 0.000 0.933 302 A N 2.816 125.639 122.820 0.005 0.000 2.454 302 A HA 0.435 4.755 4.320 0.001 0.000 0.260 302 A C -0.076 177.511 177.584 0.005 0.000 1.106 302 A CA -0.202 51.839 52.037 0.006 0.000 0.780 302 A CB -0.102 18.901 19.000 0.005 0.000 1.044 302 A HN 0.409 nan 8.150 nan 0.000 0.498 303 V N 3.927 123.844 119.914 0.005 0.000 2.656 303 V HA 0.259 4.379 4.120 0.001 0.000 0.307 303 V C 0.134 176.230 176.094 0.004 0.000 1.051 303 V CA -0.877 61.425 62.300 0.004 0.000 0.893 303 V CB 2.078 33.903 31.823 0.003 0.000 0.999 303 V HN 0.974 nan 8.190 nan 0.000 0.426 304 K N 4.915 125.316 120.400 0.002 0.000 2.326 304 K HA 0.326 4.647 4.320 0.001 0.000 0.275 304 K C -2.174 174.427 176.600 0.002 0.000 1.018 304 K CA -1.061 55.226 56.287 0.001 0.000 0.962 304 K CB 0.419 32.917 32.500 -0.003 0.000 0.953 304 K HN 0.477 nan 8.250 nan 0.000 0.475 305 P HA 0.050 nan 4.420 nan 0.000 0.272 305 P C -0.948 176.356 177.300 0.006 0.000 1.223 305 P CA -0.156 62.949 63.100 0.009 0.000 0.784 305 P CB 0.685 32.395 31.700 0.016 0.000 0.923 306 M N 1.417 121.021 119.600 0.008 0.000 2.267 306 M HA 0.271 4.751 4.480 0.001 0.000 0.289 306 M C -1.471 174.837 176.300 0.012 0.000 1.043 306 M CA -0.313 54.989 55.300 0.004 0.000 0.928 306 M CB 2.113 34.711 32.600 -0.004 0.000 1.613 306 M HN 0.283 nan 8.290 nan 0.000 0.450 307 Q N 4.760 124.572 119.800 0.019 0.000 2.310 307 Q HA 0.543 4.884 4.340 0.001 0.000 0.270 307 Q C -1.383 174.634 176.000 0.028 0.000 1.025 307 Q CA -0.512 55.312 55.803 0.037 0.000 0.772 307 Q CB 2.713 31.491 28.738 0.067 0.000 1.253 307 Q HN 0.736 nan 8.270 nan 0.000 0.450 308 I N 5.358 125.943 120.570 0.025 0.000 2.301 308 I HA 0.317 4.488 4.170 0.001 0.000 0.292 308 I C 0.008 176.148 176.117 0.039 0.000 1.046 308 I CA -0.383 60.929 61.300 0.020 0.000 1.282 308 I CB 0.321 38.329 38.000 0.013 0.000 1.409 308 I HN 0.481 nan 8.210 nan 0.000 0.484 309 I N 2.868 123.444 120.570 0.009 0.000 2.530 309 I HA 0.592 4.763 4.170 0.001 0.000 0.297 309 I C -0.796 175.246 176.117 -0.125 0.000 1.011 309 I CA -0.540 60.738 61.300 -0.036 0.000 1.107 309 I CB 2.038 40.000 38.000 -0.062 0.000 1.285 309 I HN 0.490 nan 8.210 nan 0.000 0.436 310 E N 6.107 126.204 120.200 -0.172 0.000 2.593 310 E HA 0.287 4.638 4.350 0.001 0.000 0.232 310 E C -2.183 174.234 176.600 -0.306 0.000 1.026 310 E CA -1.538 54.759 56.400 -0.172 0.000 0.772 310 E CB 1.470 31.140 29.700 -0.051 0.000 1.310 310 E HN 0.551 nan 8.360 nan 0.000 0.413 311 P HA -0.050 nan 4.420 nan 0.000 0.233 311 P C 0.525 177.730 177.300 -0.159 0.000 1.167 311 P CA 0.693 63.397 63.100 -0.660 0.000 0.770 311 P CB 0.422 31.730 31.700 -0.652 0.000 0.837 312 E N -0.528 119.609 120.200 -0.105 0.000 2.499 312 E HA 0.394 4.745 4.350 0.001 0.000 0.199 312 E C 0.848 177.433 176.600 -0.025 0.000 1.016 312 E CA 0.058 56.438 56.400 -0.034 0.000 0.933 312 E CB -0.059 29.620 29.700 -0.036 0.000 1.050 312 E HN 0.122 nan 8.360 nan 0.000 0.462 313 G N 0.621 109.406 108.800 -0.024 0.000 2.660 313 G HA2 -0.208 3.753 3.960 0.001 0.000 0.215 313 G HA3 -0.208 3.753 3.960 0.001 0.000 0.215 313 G C -0.818 174.023 174.900 -0.097 0.000 1.345 313 G CA -0.796 44.285 45.100 -0.033 0.000 0.877 313 G HN 0.018 nan 8.290 nan 0.000 0.549 314 K N 0.158 120.440 120.400 -0.196 0.000 2.106 314 K HA 0.407 4.727 4.320 0.001 0.000 0.246 314 K C 1.087 177.514 176.600 -0.288 0.000 0.987 314 K CA -0.641 55.415 56.287 -0.384 0.000 0.904 314 K CB 0.778 32.678 32.500 -0.999 0.000 1.071 314 K HN 0.568 nan 8.250 nan 0.000 0.453 315 N N -0.176 118.410 118.700 -0.191 0.000 2.412 315 N HA -0.018 4.723 4.740 0.001 0.000 0.184 315 N C -0.469 175.134 175.510 0.155 0.000 1.101 315 N CA 0.186 53.249 53.050 0.022 0.000 0.881 315 N CB 0.046 38.641 38.487 0.181 0.000 0.969 315 N HN 0.457 nan 8.380 nan 0.000 0.459 316 Y N -1.627 118.820 120.300 0.245 0.000 2.534 316 Y HA 0.700 5.251 4.550 0.001 0.000 0.329 316 Y C 0.004 175.920 175.900 0.026 0.000 1.154 316 Y CA -1.111 57.094 58.100 0.175 0.000 1.192 316 Y CB 0.586 39.070 38.460 0.041 0.000 1.275 316 Y HN -0.357 nan 8.280 nan 0.000 0.491 317 T N 2.464 117.135 114.554 0.194 0.000 2.876 317 T HA 0.582 4.933 4.350 0.001 0.000 0.289 317 T C -0.850 173.842 174.700 -0.013 0.000 1.014 317 T CA -0.616 61.515 62.100 0.052 0.000 0.986 317 T CB 0.928 69.843 68.868 0.079 0.000 1.021 317 T HN 0.575 nan 8.240 nan 0.000 0.458 318 I N 3.017 123.498 120.570 -0.147 0.000 2.437 318 I HA 0.271 4.442 4.170 0.001 0.000 0.279 318 I C -0.094 175.993 176.117 -0.050 0.000 1.028 318 I CA -0.597 60.590 61.300 -0.188 0.000 1.142 318 I CB 1.331 39.085 38.000 -0.410 0.000 1.266 318 I HN 0.519 nan 8.210 nan 0.000 0.461 319 T N 4.862 119.400 114.554 -0.026 0.000 2.781 319 T HA 0.513 4.864 4.350 0.001 0.000 0.305 319 T C 0.922 175.635 174.700 0.022 0.000 1.001 319 T CA 0.127 62.244 62.100 0.028 0.000 0.950 319 T CB 1.336 70.220 68.868 0.028 0.000 0.955 319 T HN 0.987 nan 8.240 nan 0.000 0.471 320 G N 4.203 113.037 108.800 0.056 0.000 2.629 320 G HA2 -0.304 3.657 3.960 0.001 0.000 0.313 320 G HA3 -0.304 3.657 3.960 0.001 0.000 0.313 320 G C 0.450 175.319 174.900 -0.052 0.000 1.217 320 G CA 0.492 45.607 45.100 0.025 0.000 0.994 320 G HN 0.653 nan 8.290 nan 0.000 0.549 321 D N 0.918 121.213 120.400 -0.174 0.000 2.369 321 D HA 0.176 4.817 4.640 0.001 0.000 0.211 321 D C 1.099 177.106 176.300 -0.490 0.000 1.077 321 D CA 0.035 53.795 54.000 -0.400 0.000 0.842 321 D CB 0.080 40.462 40.800 -0.697 0.000 0.947 321 D HN 0.172 nan 8.370 nan 0.000 0.509 322 M N 1.260 120.685 119.600 -0.291 0.000 2.188 322 M HA 0.245 4.725 4.480 0.001 0.000 0.354 322 M C 0.167 176.286 176.300 -0.301 0.000 1.342 322 M CA 0.088 55.240 55.300 -0.246 0.000 1.117 322 M CB 0.867 33.443 32.600 -0.040 0.000 1.670 322 M HN -0.170 nan 8.290 nan 0.000 0.466 323 I N 3.131 123.380 120.570 -0.535 0.000 2.362 323 I HA 0.221 4.392 4.170 0.001 0.000 0.289 323 I C -0.403 175.466 176.117 -0.413 0.000 0.994 323 I CA -0.701 60.237 61.300 -0.604 0.000 1.158 323 I CB 1.336 38.689 38.000 -1.079 0.000 1.315 323 I HN 0.600 nan 8.210 nan 0.000 0.451 324 H N 5.940 124.904 119.070 -0.176 0.000 2.481 324 H HA 0.467 5.024 4.556 0.001 0.000 0.333 324 H C -1.880 173.565 175.328 0.195 0.000 1.066 324 H CA -0.516 55.532 56.048 0.001 0.000 1.209 324 H CB 1.195 30.962 29.762 0.008 0.000 1.445 324 H HN 0.604 nan 8.280 nan 0.000 0.488 325 W N 8.708 129.639 121.300 -0.616 0.000 3.216 325 W HA 0.353 5.014 4.660 0.001 0.000 0.335 325 W C -0.619 175.736 176.519 -0.274 0.000 1.077 325 W CA -0.611 56.547 57.345 -0.312 0.000 1.252 325 W CB 0.656 30.106 29.460 -0.016 0.000 1.312 325 W HN 0.915 nan 8.180 nan 0.000 0.446 326 R N 2.656 122.695 120.500 -0.768 0.000 3.707 326 R HA -0.388 3.952 4.340 0.001 0.000 0.504 326 R C 0.566 176.567 176.300 -0.498 0.000 0.241 326 R CA 2.118 57.815 56.100 -0.673 0.000 1.576 326 R CB -1.246 28.496 30.300 -0.929 0.000 0.924 326 R HN 0.789 nan 8.270 nan 0.000 0.597 327 N N -0.099 118.256 118.700 -0.574 0.000 2.398 327 N HA 0.054 4.795 4.740 0.001 0.000 0.188 327 N C -0.190 174.919 175.510 -0.668 0.000 1.122 327 N CA -0.066 52.546 53.050 -0.730 0.000 0.866 327 N CB 0.081 37.749 38.487 -1.365 0.000 0.970 327 N HN 0.208 nan 8.380 nan 0.000 0.462 328 W N 1.122 122.292 121.300 -0.218 0.000 2.449 328 W HA 0.377 5.038 4.660 0.001 0.000 0.331 328 W C -0.025 176.540 176.519 0.076 0.000 1.119 328 W CA -0.649 56.718 57.345 0.037 0.000 1.240 328 W CB 1.009 30.609 29.460 0.233 0.000 1.251 328 W HN -0.184 nan 8.180 nan 0.000 0.576 329 D N 2.102 122.804 120.400 0.503 0.000 2.879 329 D HA 0.479 5.120 4.640 0.001 0.000 0.236 329 D C -1.094 175.457 176.300 0.419 0.000 1.171 329 D CA -0.277 53.929 54.000 0.343 0.000 0.868 329 D CB 2.435 43.417 40.800 0.303 0.000 1.598 329 D HN 0.263 nan 8.370 nan 0.000 0.497 330 F N -0.815 119.160 119.950 0.043 0.000 2.807 330 F HA 0.388 4.916 4.527 0.001 0.000 0.316 330 F C -1.730 174.015 175.800 -0.092 0.000 1.162 330 F CA -0.963 57.015 58.000 -0.037 0.000 0.910 330 F CB 1.624 40.532 39.000 -0.152 0.000 1.314 330 F HN 0.191 nan 8.300 nan 0.000 0.454 331 H N 2.172 121.205 119.070 -0.061 0.000 2.489 331 H HA 0.670 5.227 4.556 0.001 0.000 0.343 331 H C -2.053 173.177 175.328 -0.163 0.000 1.086 331 H CA -0.749 55.136 56.048 -0.272 0.000 1.198 331 H CB 2.181 31.633 29.762 -0.516 0.000 1.490 331 H HN 0.803 nan 8.280 nan 0.000 0.504 332 L N 4.848 125.805 121.223 -0.443 0.000 2.305 332 L HA 0.368 4.709 4.340 0.001 0.000 0.284 332 L C -0.683 175.984 176.870 -0.339 0.000 1.013 332 L CA -0.123 54.548 54.840 -0.281 0.000 0.819 332 L CB 1.119 43.040 42.059 -0.231 0.000 1.227 332 L HN 0.749 nan 8.230 nan 0.000 0.417 333 S N 4.024 119.600 115.700 -0.206 0.000 2.720 333 S HA 0.844 5.314 4.470 0.001 0.000 0.287 333 S C -0.828 173.653 174.600 -0.199 0.000 1.168 333 S CA -0.922 57.178 58.200 -0.165 0.000 0.832 333 S CB 1.612 64.790 63.200 -0.037 0.000 1.166 333 S HN 0.561 nan 8.310 nan 0.000 0.493 334 M N 2.500 122.004 119.600 -0.161 0.000 2.383 334 M HA 0.528 5.008 4.480 0.001 0.000 0.325 334 M C -1.225 174.997 176.300 -0.131 0.000 1.092 334 M CA -0.455 54.735 55.300 -0.185 0.000 0.961 334 M CB 1.741 34.259 32.600 -0.138 0.000 1.672 334 M HN 0.869 nan 8.290 nan 0.000 0.438 335 N N 1.381 119.991 118.700 -0.150 0.000 2.258 335 N HA 0.283 5.023 4.740 0.001 0.000 0.299 335 N C 0.125 175.613 175.510 -0.038 0.000 1.047 335 N CA 0.152 53.156 53.050 -0.076 0.000 0.814 335 N CB 1.790 40.233 38.487 -0.072 0.000 1.413 335 N HN 0.862 nan 8.380 nan 0.000 0.478 336 S N 3.236 118.947 115.700 0.018 0.000 2.399 336 S HA -0.147 4.324 4.470 0.001 0.000 0.231 336 S C 1.718 176.373 174.600 0.093 0.000 1.022 336 S CA 0.754 58.995 58.200 0.068 0.000 0.983 336 S CB -0.016 63.233 63.200 0.082 0.000 0.803 336 S HN 0.712 nan 8.310 nan 0.000 0.480 337 R N 0.794 121.334 120.500 0.066 0.000 2.048 337 R HA 0.055 4.396 4.340 0.001 0.000 0.224 337 R C 2.273 178.630 176.300 0.094 0.000 1.163 337 R CA 1.628 57.768 56.100 0.066 0.000 0.956 337 R CB -0.258 30.042 30.300 -0.000 0.000 0.849 337 R HN 0.477 nan 8.270 nan 0.000 0.435 338 V N -2.043 117.902 119.914 0.051 0.000 3.650 338 V HA 0.407 4.527 4.120 0.001 0.000 0.271 338 V C 0.922 176.880 176.094 -0.227 0.000 1.281 338 V CA 0.525 62.831 62.300 0.010 0.000 1.120 338 V CB -0.114 31.730 31.823 0.035 0.000 0.856 338 V HN 0.682 nan 8.190 nan 0.000 0.443 339 G N 1.175 109.767 108.800 -0.348 0.000 2.488 339 G HA2 -0.172 3.789 3.960 0.001 0.000 0.237 339 G HA3 -0.172 3.789 3.960 0.001 0.000 0.237 339 G C -2.676 171.755 174.900 -0.782 0.000 1.209 339 G CA -0.222 44.322 45.100 -0.927 0.000 0.929 339 G HN 0.583 nan 8.290 nan 0.000 0.578 340 P HA 0.397 nan 4.420 nan 0.000 0.268 340 P C -0.375 176.604 177.300 -0.535 0.000 1.205 340 P CA 0.557 63.266 63.100 -0.652 0.000 0.771 340 P CB 0.532 31.859 31.700 -0.622 0.000 0.858 341 M N 3.105 122.447 119.600 -0.430 0.000 2.321 341 M HA 0.405 4.885 4.480 0.001 0.000 0.315 341 M C -0.405 175.659 176.300 -0.393 0.000 1.052 341 M CA -0.598 54.458 55.300 -0.405 0.000 0.936 341 M CB 1.760 34.190 32.600 -0.284 0.000 1.639 341 M HN 0.153 nan 8.290 nan 0.000 0.433 342 I N 2.402 122.679 120.570 -0.487 0.000 2.382 342 I HA 0.416 4.587 4.170 0.001 0.000 0.285 342 I C -0.668 175.278 176.117 -0.286 0.000 1.007 342 I CA 0.216 61.292 61.300 -0.373 0.000 1.142 342 I CB 1.546 39.205 38.000 -0.568 0.000 1.289 342 I HN 0.598 nan 8.210 nan 0.000 0.453 343 S N 2.235 117.824 115.700 -0.185 0.000 2.599 343 S HA 0.592 5.063 4.470 0.001 0.000 0.287 343 S C -0.185 174.271 174.600 -0.240 0.000 1.105 343 S CA -0.685 57.309 58.200 -0.343 0.000 0.899 343 S CB 1.805 64.700 63.200 -0.508 0.000 1.100 343 S HN 0.825 nan 8.310 nan 0.000 0.482 344 T N -1.751 112.520 114.554 -0.472 0.000 3.506 344 T HA -0.153 4.198 4.350 0.001 0.000 0.407 344 T C -0.223 174.583 174.700 0.177 0.000 0.766 344 T CA 0.007 61.858 62.100 -0.416 0.000 2.070 344 T CB -2.528 66.166 68.868 -0.291 0.000 1.712 344 T HN 0.585 nan 8.240 nan 0.000 0.692 345 V N 3.102 123.219 119.914 0.338 0.000 2.385 345 V HA 0.679 4.800 4.120 0.001 0.000 0.269 345 V C 1.082 177.540 176.094 0.607 0.000 1.043 345 V CA 0.176 62.747 62.300 0.452 0.000 0.906 345 V CB 1.241 33.262 31.823 0.331 0.000 0.995 345 V HN 1.032 nan 8.190 nan 0.000 0.467 346 T N 2.068 116.983 114.554 0.602 0.000 2.893 346 T HA 0.604 4.955 4.350 0.001 0.000 0.291 346 T C -1.103 173.895 174.700 0.497 0.000 1.028 346 T CA -0.715 61.696 62.100 0.518 0.000 0.995 346 T CB 1.708 70.825 68.868 0.415 0.000 1.051 346 T HN 0.379 nan 8.240 nan 0.000 0.470 347 Y N 2.814 123.255 120.300 0.235 0.000 2.369 347 Y HA 0.478 5.028 4.550 0.001 0.000 0.337 347 Y C 0.133 176.093 175.900 0.100 0.000 0.961 347 Y CA -1.351 56.751 58.100 0.003 0.000 1.186 347 Y CB 0.992 39.356 38.460 -0.161 0.000 1.139 347 Y HN 0.879 nan 8.280 nan 0.000 0.494 348 N N 4.649 123.334 118.700 -0.025 0.000 2.427 348 N HA -0.007 4.734 4.740 0.001 0.000 0.269 348 N C -1.299 174.325 175.510 0.191 0.000 1.235 348 N CA 0.342 53.433 53.050 0.068 0.000 0.934 348 N CB 0.238 38.717 38.487 -0.013 0.000 1.121 348 N HN 0.582 nan 8.380 nan 0.000 0.480 349 D N 3.290 123.863 120.400 0.287 0.000 2.349 349 D HA 0.166 4.807 4.640 0.001 0.000 0.232 349 D C -0.420 175.972 176.300 0.153 0.000 1.071 349 D CA -0.281 53.905 54.000 0.310 0.000 0.832 349 D CB -0.064 40.940 40.800 0.340 0.000 1.086 349 D HN 0.708 nan 8.370 nan 0.000 0.504 350 N N 3.078 121.845 118.700 0.112 0.000 2.704 350 N HA -0.298 4.443 4.740 0.001 0.000 0.259 350 N C 0.904 176.440 175.510 0.044 0.000 0.957 350 N CA 0.589 53.674 53.050 0.059 0.000 0.804 350 N CB -0.492 38.023 38.487 0.048 0.000 0.917 350 N HN 0.767 nan 8.380 nan 0.000 0.545 351 G N -1.827 107.000 108.800 0.045 0.000 2.339 351 G HA2 -0.255 3.705 3.960 0.001 0.000 0.209 351 G HA3 -0.255 3.705 3.960 0.001 0.000 0.209 351 G C 0.094 175.018 174.900 0.040 0.000 1.015 351 G CA 0.134 45.253 45.100 0.031 0.000 0.635 351 G HN 0.382 nan 8.290 nan 0.000 0.499 352 T N 2.364 116.951 114.554 0.055 0.000 2.767 352 T HA 0.568 4.919 4.350 0.001 0.000 0.284 352 T C -0.050 174.705 174.700 0.093 0.000 0.973 352 T CA -0.490 61.643 62.100 0.055 0.000 0.996 352 T CB 1.965 70.853 68.868 0.034 0.000 0.927 352 T HN 0.329 nan 8.240 nan 0.000 0.456 353 K N 3.480 123.937 120.400 0.095 0.000 2.378 353 K HA 0.228 4.549 4.320 0.001 0.000 0.288 353 K C 0.190 176.868 176.600 0.129 0.000 1.057 353 K CA -0.094 56.277 56.287 0.140 0.000 0.971 353 K CB 0.725 33.316 32.500 0.152 0.000 0.975 353 K HN 0.398 nan 8.250 nan 0.000 0.475 354 R N 2.705 123.322 120.500 0.194 0.000 2.346 354 R HA 0.188 4.528 4.340 0.001 0.000 0.311 354 R C -0.287 176.136 176.300 0.205 0.000 0.983 354 R CA -0.784 55.416 56.100 0.165 0.000 0.880 354 R CB 1.365 31.791 30.300 0.210 0.000 1.100 354 R HN 0.346 nan 8.270 nan 0.000 0.453 355 K N 1.421 121.834 120.400 0.021 0.000 2.484 355 K HA -0.012 4.309 4.320 0.001 0.000 0.280 355 K C 0.371 177.075 176.600 0.174 0.000 1.013 355 K CA 0.009 56.254 56.287 -0.070 0.000 1.029 355 K CB 0.843 33.044 32.500 -0.497 0.000 0.902 355 K HN 0.360 nan 8.250 nan 0.000 0.481 356 V N 2.684 122.755 119.914 0.262 0.000 2.948 356 V HA 0.137 4.258 4.120 0.001 0.000 0.234 356 V C 0.139 176.301 176.094 0.114 0.000 1.205 356 V CA 0.151 62.516 62.300 0.108 0.000 1.234 356 V CB 0.314 32.214 31.823 0.130 0.000 1.020 356 V HN 0.765 nan 8.190 nan 0.000 0.491 357 M N -1.005 118.770 119.600 0.291 0.000 2.206 357 M HA 0.346 4.827 4.480 0.001 0.000 0.272 357 M C -0.132 176.348 176.300 0.300 0.000 1.012 357 M CA -0.584 54.844 55.300 0.213 0.000 0.986 357 M CB 2.035 34.667 32.600 0.054 0.000 1.740 357 M HN 0.268 nan 8.290 nan 0.000 0.472 358 Y N 3.567 123.994 120.300 0.213 0.000 2.184 358 Y HA 0.205 4.756 4.550 0.001 0.000 0.290 358 Y C 0.034 175.824 175.900 -0.184 0.000 1.129 358 Y CA 1.781 59.864 58.100 -0.027 0.000 1.144 358 Y CB 0.504 38.962 38.460 -0.002 0.000 0.995 358 Y HN 0.715 nan 8.280 nan 0.000 0.513 359 E N -0.518 119.525 120.200 -0.263 0.000 2.347 359 E HA 0.485 4.836 4.350 0.001 0.000 0.285 359 E C -1.380 175.095 176.600 -0.209 0.000 0.925 359 E CA -0.355 55.826 56.400 -0.366 0.000 0.779 359 E CB 1.421 30.888 29.700 -0.388 0.000 1.233 359 E HN 0.320 nan 8.360 nan 0.000 0.414 360 G N 1.381 110.031 108.800 -0.250 0.000 2.620 360 G HA2 0.707 4.668 3.960 0.001 0.000 0.301 360 G HA3 0.707 4.668 3.960 0.001 0.000 0.301 360 G C -1.160 173.560 174.900 -0.300 0.000 1.347 360 G CA -0.150 44.851 45.100 -0.165 0.000 0.971 360 G HN 0.697 nan 8.290 nan 0.000 0.488 361 S N 0.125 115.827 115.700 0.003 0.000 2.633 361 S HA 0.483 4.954 4.470 0.001 0.000 0.271 361 S C -1.145 173.673 174.600 0.364 0.000 1.112 361 S CA -0.821 57.378 58.200 -0.001 0.000 0.828 361 S CB 0.916 64.022 63.200 -0.158 0.000 1.086 361 S HN 1.657 nan 8.310 nan 0.000 0.461 362 L N 1.978 123.401 121.223 0.334 0.000 2.506 362 L HA 0.587 4.928 4.340 0.001 0.000 0.281 362 L C 1.224 178.119 176.870 0.041 0.000 1.228 362 L CA 1.676 56.596 54.840 0.133 0.000 0.850 362 L CB 0.219 42.228 42.059 -0.083 0.000 1.110 362 L HN 1.059 nan 8.230 nan 0.000 0.496 363 G N 2.257 111.050 108.800 -0.012 0.000 2.692 363 G HA2 0.524 4.484 3.960 0.001 0.000 0.209 363 G HA3 0.524 4.484 3.960 0.001 0.000 0.209 363 G C 0.275 175.222 174.900 0.078 0.000 1.166 363 G CA 0.436 45.579 45.100 0.072 0.000 0.844 363 G HN 1.099 nan 8.290 nan 0.000 0.596 364 G N -0.807 107.944 108.800 -0.082 0.000 2.576 364 G HA2 0.562 4.522 3.960 0.001 0.000 0.290 364 G HA3 0.562 4.522 3.960 0.001 0.000 0.290 364 G C -1.042 173.795 174.900 -0.105 0.000 1.442 364 G CA -0.433 44.596 45.100 -0.118 0.000 0.792 364 G HN 0.699 nan 8.290 nan 0.000 0.491 365 M N -0.462 119.130 119.600 -0.013 0.000 2.593 365 M HA 0.897 5.377 4.480 0.001 0.000 0.290 365 M C -1.541 174.825 176.300 0.110 0.000 1.244 365 M CA -1.106 54.213 55.300 0.032 0.000 0.857 365 M CB 2.866 35.411 32.600 -0.090 0.000 1.738 365 M HN 0.650 nan 8.290 nan 0.000 0.461 366 I N 1.502 122.128 120.570 0.094 0.000 2.722 366 I HA 0.651 4.822 4.170 0.001 0.000 0.295 366 I C -1.890 174.228 176.117 0.002 0.000 1.161 366 I CA -0.951 60.411 61.300 0.103 0.000 1.032 366 I CB 2.486 40.585 38.000 0.166 0.000 1.244 366 I HN 0.653 nan 8.210 nan 0.000 0.421 367 V N 8.490 128.450 119.914 0.076 0.000 2.305 367 V HA 0.509 4.629 4.120 0.001 0.000 0.275 367 V C -2.497 173.642 176.094 0.074 0.000 1.020 367 V CA -1.084 61.221 62.300 0.008 0.000 0.811 367 V CB 1.237 33.087 31.823 0.045 0.000 1.031 367 V HN 0.556 nan 8.190 nan 0.000 0.439 368 P HA 0.559 nan 4.420 nan 0.000 0.304 368 P C -1.539 175.837 177.300 0.126 0.000 1.381 368 P CA -0.755 62.476 63.100 0.219 0.000 0.995 368 P CB 1.961 33.874 31.700 0.354 0.000 1.194 369 Y N 0.195 120.682 120.300 0.312 0.000 2.480 369 Y HA 0.612 5.162 4.550 0.001 0.000 0.323 369 Y C 1.858 177.871 175.900 0.188 0.000 1.267 369 Y CA 0.314 58.573 58.100 0.265 0.000 1.336 369 Y CB 1.101 39.752 38.460 0.319 0.000 1.361 369 Y HN 0.522 nan 8.280 nan 0.000 0.518 370 G N -0.476 108.457 108.800 0.223 0.000 4.165 370 G HA2 0.021 3.981 3.960 0.001 0.000 0.287 370 G HA3 0.021 3.981 3.960 0.001 0.000 0.287 370 G C -0.750 174.096 174.900 -0.090 0.000 1.019 370 G CA -0.172 44.934 45.100 0.009 0.000 0.806 370 G HN 0.486 nan 8.290 nan 0.000 0.447 371 D N 1.260 121.598 120.400 -0.103 0.000 2.302 371 D HA 0.283 4.924 4.640 0.001 0.000 0.248 371 D C -1.523 174.622 176.300 -0.259 0.000 1.094 371 D CA -1.557 52.174 54.000 -0.449 0.000 0.897 371 D CB 2.875 43.400 40.800 -0.459 0.000 1.200 371 D HN 0.065 nan 8.370 nan 0.000 0.429 372 P HA 0.170 nan 4.420 nan 0.000 0.272 372 P C -0.299 177.027 177.300 0.043 0.000 1.276 372 P CA -0.225 62.804 63.100 -0.118 0.000 0.871 372 P CB 0.768 32.350 31.700 -0.195 0.000 1.313 373 D N 0.552 120.981 120.400 0.049 0.000 2.354 373 D HA 0.010 4.651 4.640 0.001 0.000 0.238 373 D C 1.871 178.377 176.300 0.343 0.000 1.250 373 D CA -0.048 54.054 54.000 0.169 0.000 0.911 373 D CB 0.596 41.494 40.800 0.163 0.000 1.163 373 D HN 0.023 nan 8.370 nan 0.000 0.456 374 I N -1.426 119.331 120.570 0.312 0.000 2.361 374 I HA -0.058 4.112 4.170 0.001 0.000 0.251 374 I C 2.005 178.319 176.117 0.328 0.000 1.133 374 I CA 1.451 62.977 61.300 0.376 0.000 1.413 374 I CB -0.605 37.528 38.000 0.222 0.000 1.073 374 I HN 0.329 nan 8.210 nan 0.000 0.424 375 G N -0.576 108.376 108.800 0.253 0.000 2.848 375 G HA2 -0.062 3.898 3.960 0.001 0.000 0.208 375 G HA3 -0.062 3.898 3.960 0.001 0.000 0.208 375 G C 0.720 175.276 174.900 -0.574 0.000 1.152 375 G CA 0.132 45.187 45.100 -0.075 0.000 0.789 375 G HN 0.613 nan 8.290 nan 0.000 0.531 376 W N -1.773 119.455 121.300 -0.119 0.000 2.199 376 W HA 0.223 4.884 4.660 0.002 0.000 0.264 376 W C 1.810 178.169 176.519 -0.267 0.000 0.923 376 W CA -0.616 56.545 57.345 -0.306 0.000 1.221 376 W CB -0.314 29.048 29.460 -0.163 0.000 0.974 376 W HN 0.219 nan 8.180 nan 0.000 0.562 377 Y N 0.316 120.679 120.300 0.104 0.000 2.242 377 Y HA -0.126 4.425 4.550 0.001 0.000 0.291 377 Y C 1.741 177.767 175.900 0.210 0.000 1.137 377 Y CA 1.332 59.514 58.100 0.136 0.000 1.181 377 Y CB -1.604 36.897 38.460 0.068 0.000 0.989 377 Y HN -0.006 nan 8.280 nan 0.000 0.527 378 F N 0.493 120.294 119.950 -0.248 0.000 2.765 378 F HA 0.386 4.914 4.527 0.001 0.000 0.302 378 F C 0.713 176.550 175.800 0.061 0.000 1.111 378 F CA -1.394 56.629 58.000 0.039 0.000 1.359 378 F CB -0.612 38.245 39.000 -0.238 0.000 1.097 378 F HN -0.141 nan 8.300 nan 0.000 0.577 379 K N 2.273 122.159 120.400 -0.857 0.000 2.338 379 K HA 0.561 4.882 4.320 0.001 0.000 0.290 379 K C -0.959 175.653 176.600 0.021 0.000 1.069 379 K CA 0.083 55.971 56.287 -0.664 0.000 0.941 379 K CB 0.079 32.101 32.500 -0.797 0.000 1.023 379 K HN 0.353 nan 8.250 nan 0.000 0.477 380 A N 5.385 128.230 122.820 0.042 0.000 2.509 380 A HA 0.274 4.594 4.320 0.001 0.000 0.282 380 A C -1.942 175.743 177.584 0.169 0.000 1.054 380 A CA -0.720 51.445 52.037 0.213 0.000 0.820 380 A CB 0.409 19.505 19.000 0.160 0.000 1.333 380 A HN 0.646 nan 8.150 nan 0.000 0.409 381 Y N 2.885 123.315 120.300 0.217 0.000 2.365 381 Y HA 0.359 4.910 4.550 0.001 0.000 0.340 381 Y C 0.508 176.523 175.900 0.192 0.000 1.016 381 Y CA -0.587 57.655 58.100 0.236 0.000 1.196 381 Y CB 1.187 39.758 38.460 0.184 0.000 1.167 381 Y HN 0.469 nan 8.280 nan 0.000 0.509 382 L N 5.398 126.827 121.223 0.343 0.000 2.358 382 L HA 0.143 4.483 4.340 0.001 0.000 0.274 382 L C 0.239 177.310 176.870 0.334 0.000 1.136 382 L CA 0.088 55.079 54.840 0.253 0.000 0.970 382 L CB 0.103 42.253 42.059 0.151 0.000 1.314 382 L HN 0.768 nan 8.230 nan 0.000 0.427 383 D N 0.300 120.871 120.400 0.285 0.000 2.097 383 D HA -0.195 4.446 4.640 0.001 0.000 0.195 383 D C 2.082 178.565 176.300 0.305 0.000 0.989 383 D CA 1.748 55.939 54.000 0.318 0.000 0.827 383 D CB 0.353 41.258 40.800 0.176 0.000 0.966 383 D HN 0.563 nan 8.370 nan 0.000 0.456 384 S N -0.107 115.706 115.700 0.189 0.000 2.348 384 S HA -0.010 4.461 4.470 0.001 0.000 0.219 384 S C 2.319 176.958 174.600 0.065 0.000 1.033 384 S CA 0.885 59.174 58.200 0.149 0.000 0.974 384 S CB -1.089 62.176 63.200 0.109 0.000 0.868 384 S HN 0.284 nan 8.310 nan 0.000 0.459 385 G N 1.103 109.893 108.800 -0.018 0.000 2.432 385 G HA2 -0.117 3.843 3.960 0.001 0.000 0.219 385 G HA3 -0.117 3.843 3.960 0.001 0.000 0.219 385 G C 1.100 175.963 174.900 -0.062 0.000 1.135 385 G CA 1.046 46.061 45.100 -0.142 0.000 0.767 385 G HN 0.503 nan 8.290 nan 0.000 0.550 386 D N -1.867 118.560 120.400 0.045 0.000 2.388 386 D HA 0.157 4.798 4.640 0.001 0.000 0.208 386 D C 1.045 177.250 176.300 -0.159 0.000 1.035 386 D CA 0.239 54.204 54.000 -0.058 0.000 0.875 386 D CB 0.359 41.129 40.800 -0.050 0.000 0.984 386 D HN 0.423 nan 8.370 nan 0.000 0.508 387 Y N -0.656 119.725 120.300 0.135 0.000 2.425 387 Y HA 0.337 4.888 4.550 0.001 0.000 0.261 387 Y C 0.909 176.913 175.900 0.174 0.000 1.084 387 Y CA 0.132 58.353 58.100 0.201 0.000 1.248 387 Y CB 1.255 39.888 38.460 0.288 0.000 1.270 387 Y HN -0.116 nan 8.280 nan 0.000 0.524 388 G N 1.505 110.467 108.800 0.270 0.000 2.905 388 G HA2 -0.254 3.707 3.960 0.001 0.000 0.245 388 G HA3 -0.254 3.707 3.960 0.001 0.000 0.245 388 G C 0.363 175.420 174.900 0.262 0.000 1.004 388 G CA 0.191 45.416 45.100 0.208 0.000 1.089 388 G HN 0.287 nan 8.290 nan 0.000 0.456 389 M N 1.283 121.058 119.600 0.291 0.000 2.288 389 M HA 0.062 4.543 4.480 0.001 0.000 0.266 389 M C 2.691 179.303 176.300 0.519 0.000 1.072 389 M CA 1.984 57.517 55.300 0.387 0.000 1.132 389 M CB -0.033 32.844 32.600 0.463 0.000 1.386 389 M HN 0.659 nan 8.290 nan 0.000 0.432 390 G N -0.178 108.875 108.800 0.422 0.000 2.421 390 G HA2 -0.183 3.778 3.960 0.001 0.000 0.216 390 G HA3 -0.183 3.778 3.960 0.001 0.000 0.216 390 G C 1.425 176.501 174.900 0.293 0.000 1.171 390 G CA 1.431 46.744 45.100 0.355 0.000 0.775 390 G HN 0.346 nan 8.290 nan 0.000 0.543 391 T N 1.152 115.840 114.554 0.222 0.000 2.759 391 T HA -0.019 4.331 4.350 0.001 0.000 0.269 391 T C 2.040 176.851 174.700 0.184 0.000 1.042 391 T CA 0.713 62.923 62.100 0.183 0.000 1.140 391 T CB -0.121 68.850 68.868 0.171 0.000 0.864 391 T HN 0.126 nan 8.240 nan 0.000 0.455 392 L N 1.163 122.512 121.223 0.211 0.000 2.653 392 L HA 0.151 4.492 4.340 0.001 0.000 0.231 392 L C 0.648 177.610 176.870 0.154 0.000 1.153 392 L CA -0.276 54.661 54.840 0.162 0.000 0.933 392 L CB -0.500 41.654 42.059 0.159 0.000 1.175 392 L HN 0.096 nan 8.230 nan 0.000 0.473 393 T N 0.504 115.204 114.554 0.243 0.000 2.897 393 T HA -0.087 4.264 4.350 0.001 0.000 0.304 393 T C 0.562 175.324 174.700 0.103 0.000 1.051 393 T CA 0.567 62.807 62.100 0.234 0.000 1.132 393 T CB 0.278 69.404 68.868 0.429 0.000 1.066 393 T HN 0.168 nan 8.240 nan 0.000 0.518 394 S N 5.301 121.009 115.700 0.013 0.000 2.438 394 S HA 0.395 4.866 4.470 0.001 0.000 0.316 394 S C -2.332 172.287 174.600 0.031 0.000 1.084 394 S CA -1.280 56.924 58.200 0.007 0.000 1.107 394 S CB 1.242 64.415 63.200 -0.045 0.000 0.981 394 S HN 0.447 nan 8.310 nan 0.000 0.466 395 P HA 0.099 nan 4.420 nan 0.000 0.264 395 P C -0.356 176.970 177.300 0.043 0.000 1.193 395 P CA -0.074 63.060 63.100 0.058 0.000 0.763 395 P CB 0.168 31.894 31.700 0.042 0.000 0.810 396 I N 2.057 122.664 120.570 0.062 0.000 2.668 396 I HA 0.004 4.175 4.170 0.001 0.000 0.285 396 I C 0.967 177.101 176.117 0.028 0.000 1.168 396 I CA 0.198 61.529 61.300 0.052 0.000 1.424 396 I CB 0.280 38.332 38.000 0.087 0.000 1.377 396 I HN 0.348 nan 8.210 nan 0.000 0.560 397 A N 7.862 130.691 122.820 0.014 0.000 2.444 397 A HA 0.192 4.512 4.320 0.001 0.000 0.287 397 A C 0.590 178.175 177.584 0.001 0.000 1.195 397 A CA -0.336 51.703 52.037 0.004 0.000 0.858 397 A CB -0.144 18.855 19.000 -0.002 0.000 1.117 397 A HN 0.778 nan 8.150 nan 0.000 0.521 398 R N 1.872 122.372 120.500 -0.000 0.000 2.537 398 R HA 0.226 4.567 4.340 0.001 0.000 0.281 398 R C 1.525 177.819 176.300 -0.011 0.000 0.988 398 R CA 1.693 57.792 56.100 -0.003 0.000 1.077 398 R CB 0.056 30.353 30.300 -0.006 0.000 0.932 398 R HN 1.488 nan 8.270 nan 0.000 0.409 399 G N 3.000 111.786 108.800 -0.024 0.000 2.304 399 G HA2 -0.363 3.597 3.960 0.001 0.000 0.252 399 G HA3 -0.363 3.597 3.960 0.001 0.000 0.252 399 G C 0.711 175.587 174.900 -0.040 0.000 1.014 399 G CA 0.778 45.858 45.100 -0.032 0.000 0.619 399 G HN 0.630 nan 8.290 nan 0.000 0.525 400 K N -0.659 119.722 120.400 -0.031 0.000 2.309 400 K HA 0.180 4.501 4.320 0.001 0.000 0.210 400 K C 1.518 178.103 176.600 -0.025 0.000 1.114 400 K CA 0.406 56.677 56.287 -0.026 0.000 0.912 400 K CB 0.009 32.500 32.500 -0.014 0.000 1.198 400 K HN 0.092 nan 8.250 nan 0.000 0.471 401 D N 1.050 121.441 120.400 -0.015 0.000 2.219 401 D HA -0.006 4.635 4.640 0.001 0.000 0.205 401 D C 0.288 176.591 176.300 0.005 0.000 0.970 401 D CA 0.739 54.742 54.000 0.005 0.000 0.851 401 D CB 0.288 41.097 40.800 0.015 0.000 0.943 401 D HN 0.206 nan 8.370 nan 0.000 0.488 402 A N 0.352 123.139 122.820 -0.055 0.000 2.556 402 A HA 0.583 4.904 4.320 0.001 0.000 0.294 402 A C -2.682 174.729 177.584 -0.290 0.000 1.091 402 A CA -1.353 50.565 52.037 -0.198 0.000 0.704 402 A CB 1.775 20.729 19.000 -0.078 0.000 1.300 402 A HN -0.216 nan 8.150 nan 0.000 0.406 403 P HA 0.122 nan 4.420 nan 0.000 0.274 403 P C 0.837 178.022 177.300 -0.192 0.000 1.237 403 P CA 0.262 63.148 63.100 -0.356 0.000 0.793 403 P CB 0.924 32.337 31.700 -0.479 0.000 0.977 404 S N 0.683 116.330 115.700 -0.088 0.000 2.419 404 S HA -0.183 4.288 4.470 0.001 0.000 0.235 404 S C 1.223 175.840 174.600 0.029 0.000 1.019 404 S CA 1.127 59.319 58.200 -0.012 0.000 0.982 404 S CB -1.180 62.031 63.200 0.018 0.000 0.789 404 S HN 0.663 nan 8.310 nan 0.000 0.490 405 N N 2.228 120.941 118.700 0.020 0.000 2.322 405 N HA 0.303 5.043 4.740 0.001 0.000 0.216 405 N C 0.054 175.650 175.510 0.144 0.000 1.144 405 N CA 0.245 53.349 53.050 0.090 0.000 0.830 405 N CB -0.245 38.300 38.487 0.097 0.000 1.034 405 N HN 0.488 nan 8.380 nan 0.000 0.484 406 A N 0.184 123.064 122.820 0.100 0.000 2.351 406 A HA 0.508 4.829 4.320 0.001 0.000 0.257 406 A C -0.093 177.619 177.584 0.213 0.000 1.087 406 A CA -0.492 51.665 52.037 0.199 0.000 0.798 406 A CB 0.845 19.924 19.000 0.132 0.000 1.033 406 A HN 0.099 nan 8.150 nan 0.000 0.488 407 V N 2.346 122.415 119.914 0.259 0.000 2.435 407 V HA 0.363 4.484 4.120 0.001 0.000 0.290 407 V C -0.260 175.958 176.094 0.207 0.000 1.030 407 V CA -0.230 62.220 62.300 0.249 0.000 0.881 407 V CB 1.153 33.154 31.823 0.296 0.000 0.983 407 V HN 0.669 nan 8.190 nan 0.000 0.445 408 L N 6.088 127.421 121.223 0.182 0.000 2.305 408 L HA 0.567 4.907 4.340 0.001 0.000 0.284 408 L C -0.506 176.448 176.870 0.140 0.000 1.013 408 L CA -0.443 54.483 54.840 0.144 0.000 0.819 408 L CB 1.325 43.442 42.059 0.096 0.000 1.227 408 L HN 0.401 nan 8.230 nan 0.000 0.417 409 L N 3.047 124.350 121.223 0.134 0.000 2.350 409 L HA 0.378 4.719 4.340 0.001 0.000 0.275 409 L C 0.013 176.921 176.870 0.064 0.000 1.099 409 L CA -0.619 54.286 54.840 0.109 0.000 0.808 409 L CB 0.583 42.700 42.059 0.097 0.000 1.149 409 L HN 0.561 nan 8.230 nan 0.000 0.442 410 N N 2.097 120.813 118.700 0.026 0.000 2.498 410 N HA 0.355 5.096 4.740 0.001 0.000 0.287 410 N C -0.562 174.954 175.510 0.010 0.000 1.097 410 N CA -0.412 52.647 53.050 0.015 0.000 0.973 410 N CB 1.457 39.935 38.487 -0.014 0.000 1.153 410 N HN 0.482 nan 8.380 nan 0.000 0.472 411 E N 0.292 120.503 120.200 0.018 0.000 2.317 411 E HA 0.421 4.771 4.350 0.001 0.000 0.270 411 E C -0.751 175.853 176.600 0.007 0.000 0.885 411 E CA -0.578 55.823 56.400 0.001 0.000 0.760 411 E CB 2.118 31.816 29.700 -0.003 0.000 1.227 411 E HN 0.308 nan 8.360 nan 0.000 0.434 412 T N 2.453 117.003 114.554 -0.007 0.000 2.807 412 T HA 0.701 5.052 4.350 0.001 0.000 0.279 412 T C 0.127 174.826 174.700 -0.003 0.000 0.993 412 T CA -0.536 61.562 62.100 -0.003 0.000 0.970 412 T CB 0.393 69.254 68.868 -0.012 0.000 0.950 412 T HN 0.428 nan 8.240 nan 0.000 0.441 413 I N -0.382 120.193 120.570 0.009 0.000 3.095 413 I HA 0.936 5.107 4.170 0.001 0.000 0.310 413 I C -0.460 175.663 176.117 0.009 0.000 1.196 413 I CA -1.803 59.504 61.300 0.010 0.000 0.985 413 I CB 1.808 39.827 38.000 0.032 0.000 1.250 413 I HN 0.607 nan 8.210 nan 0.000 0.446 414 A N 2.385 125.205 122.820 0.001 0.000 2.401 414 A HA 0.451 4.771 4.320 0.001 0.000 0.259 414 A C -0.218 177.390 177.584 0.039 0.000 1.103 414 A CA -0.175 51.854 52.037 -0.014 0.000 0.789 414 A CB 0.025 18.987 19.000 -0.063 0.000 1.035 414 A HN 0.887 nan 8.150 nan 0.000 0.491 415 D N 0.608 121.027 120.400 0.032 0.000 2.398 415 D HA 0.041 4.681 4.640 0.001 0.000 0.264 415 D C 0.669 177.044 176.300 0.125 0.000 1.263 415 D CA 0.389 54.446 54.000 0.096 0.000 1.037 415 D CB -0.162 40.680 40.800 0.071 0.000 1.101 415 D HN 0.640 nan 8.370 nan 0.000 0.551 416 Y N -2.941 117.441 120.300 0.135 0.000 2.546 416 Y HA 0.164 4.715 4.550 0.001 0.000 0.287 416 Y C 1.661 177.733 175.900 0.287 0.000 1.158 416 Y CA 0.686 58.901 58.100 0.192 0.000 1.307 416 Y CB -0.782 37.764 38.460 0.143 0.000 1.036 416 Y HN 0.335 nan 8.280 nan 0.000 0.532 417 T N -3.678 110.622 114.554 -0.424 0.000 3.105 417 T HA 0.411 4.761 4.350 0.001 0.000 0.253 417 T C 1.610 176.381 174.700 0.119 0.000 1.047 417 T CA 0.212 62.233 62.100 -0.131 0.000 0.944 417 T CB -0.412 68.265 68.868 -0.318 0.000 1.016 417 T HN 0.785 nan 8.240 nan 0.000 0.544 418 G N 0.920 109.702 108.800 -0.030 0.000 2.155 418 G HA2 -0.234 3.727 3.960 0.001 0.000 0.257 418 G HA3 -0.234 3.727 3.960 0.001 0.000 0.257 418 G C 0.035 174.804 174.900 -0.218 0.000 0.983 418 G CA 0.075 44.956 45.100 -0.366 0.000 0.676 418 G HN 0.709 nan 8.290 nan 0.000 0.528 419 V N 1.778 121.618 119.914 -0.124 0.000 2.461 419 V HA 0.362 4.483 4.120 0.001 0.000 0.275 419 V C -1.359 174.697 176.094 -0.064 0.000 1.047 419 V CA -1.487 60.761 62.300 -0.086 0.000 0.955 419 V CB 1.408 33.193 31.823 -0.064 0.000 0.988 419 V HN 0.073 nan 8.190 nan 0.000 0.471 420 P HA 0.055 nan 4.420 nan 0.000 0.263 420 P C -0.433 176.859 177.300 -0.013 0.000 1.175 420 P CA 0.540 63.619 63.100 -0.035 0.000 0.761 420 P CB 0.216 31.896 31.700 -0.034 0.000 0.794 421 M N 0.304 119.906 119.600 0.003 0.000 2.259 421 M HA 0.503 4.983 4.480 0.001 0.000 0.304 421 M C -0.442 175.870 176.300 0.020 0.000 1.019 421 M CA -0.704 54.607 55.300 0.018 0.000 0.922 421 M CB 2.685 35.309 32.600 0.039 0.000 1.600 421 M HN 0.090 nan 8.290 nan 0.000 0.433 422 E N 3.898 124.108 120.200 0.016 0.000 2.130 422 E HA 0.418 4.768 4.350 0.001 0.000 0.284 422 E C -1.230 175.388 176.600 0.030 0.000 1.018 422 E CA -0.540 55.869 56.400 0.016 0.000 0.817 422 E CB 1.002 30.705 29.700 0.005 0.000 1.078 422 E HN 0.783 nan 8.360 nan 0.000 0.396 423 I N 8.050 128.646 120.570 0.043 0.000 2.337 423 I HA 0.196 4.366 4.170 0.001 0.000 0.291 423 I C -1.880 174.268 176.117 0.051 0.000 1.046 423 I CA -2.037 59.299 61.300 0.061 0.000 1.324 423 I CB 0.644 38.701 38.000 0.095 0.000 1.409 423 I HN 0.352 nan 8.210 nan 0.000 0.494 424 P HA 0.099 nan 4.420 nan 0.000 0.275 424 P C -0.464 176.862 177.300 0.044 0.000 1.227 424 P CA -0.249 62.866 63.100 0.025 0.000 0.781 424 P CB 0.630 32.337 31.700 0.011 0.000 0.906 425 R N 1.053 121.578 120.500 0.041 0.000 3.333 425 R HA -0.209 4.132 4.340 0.001 0.000 0.256 425 R C 1.036 177.403 176.300 0.112 0.000 1.010 425 R CA 0.479 56.618 56.100 0.065 0.000 0.680 425 R CB -2.448 27.879 30.300 0.045 0.000 1.102 425 R HN 0.629 nan 8.270 nan 0.000 0.440 426 A N 0.172 123.071 122.820 0.131 0.000 1.970 426 A HA 0.162 4.483 4.320 0.001 0.000 0.216 426 A C 0.980 178.743 177.584 0.298 0.000 1.170 426 A CA 0.847 53.009 52.037 0.209 0.000 0.645 426 A CB 0.396 19.498 19.000 0.170 0.000 0.816 426 A HN 0.352 nan 8.150 nan 0.000 0.447 427 I N -1.182 119.515 120.570 0.211 0.000 2.619 427 I HA 0.527 4.698 4.170 0.001 0.000 0.292 427 I C -0.364 175.862 176.117 0.183 0.000 1.100 427 I CA -0.781 60.655 61.300 0.227 0.000 1.043 427 I CB 2.238 40.317 38.000 0.131 0.000 1.239 427 I HN 0.095 nan 8.210 nan 0.000 0.420 428 A N 5.651 128.603 122.820 0.220 0.000 2.305 428 A HA 0.801 5.122 4.320 0.001 0.000 0.322 428 A C -0.756 176.920 177.584 0.153 0.000 1.187 428 A CA -0.492 51.686 52.037 0.235 0.000 0.825 428 A CB 1.181 20.388 19.000 0.346 0.000 1.164 428 A HN 0.429 nan 8.150 nan 0.000 0.498 429 V N 3.208 123.171 119.914 0.082 0.000 2.417 429 V HA 0.699 4.820 4.120 0.001 0.000 0.291 429 V C -0.865 175.216 176.094 -0.021 0.000 1.024 429 V CA -0.209 61.993 62.300 -0.163 0.000 0.861 429 V CB 0.456 32.059 31.823 -0.367 0.000 0.985 429 V HN 0.852 nan 8.190 nan 0.000 0.436 430 F N 1.417 121.251 119.950 -0.194 0.000 2.635 430 F HA 0.683 5.211 4.527 0.001 0.000 0.314 430 F C -0.660 175.071 175.800 -0.114 0.000 1.119 430 F CA -1.033 56.926 58.000 -0.068 0.000 1.000 430 F CB 1.322 40.331 39.000 0.015 0.000 1.278 430 F HN 0.505 nan 8.300 nan 0.000 0.446 431 E N 3.553 123.862 120.200 0.181 0.000 2.349 431 E HA 0.633 4.984 4.350 0.001 0.000 0.265 431 E C -0.785 175.970 176.600 0.258 0.000 1.064 431 E CA -0.697 55.772 56.400 0.116 0.000 0.886 431 E CB 1.106 30.977 29.700 0.285 0.000 1.036 431 E HN 0.885 nan 8.360 nan 0.000 0.413 432 R N 2.658 123.274 120.500 0.193 0.000 2.663 432 R HA 0.195 4.536 4.340 0.001 0.000 0.267 432 R C -1.717 174.682 176.300 0.165 0.000 1.038 432 R CA -0.974 55.254 56.100 0.213 0.000 0.886 432 R CB 0.387 30.830 30.300 0.239 0.000 1.249 432 R HN 0.582 nan 8.270 nan 0.000 0.463 433 Y N 1.440 121.777 120.300 0.063 0.000 2.319 433 Y HA 0.524 5.074 4.550 0.001 0.000 0.328 433 Y C -0.481 175.423 175.900 0.007 0.000 1.133 433 Y CA 0.236 58.357 58.100 0.034 0.000 1.265 433 Y CB 1.514 39.986 38.460 0.020 0.000 1.218 433 Y HN 0.826 nan 8.280 nan 0.000 0.508 434 A N 5.271 127.664 122.820 -0.711 0.000 2.992 434 A HA 0.604 4.925 4.320 0.001 0.000 0.263 434 A C 0.609 177.829 177.584 -0.606 0.000 0.928 434 A CA 0.078 51.816 52.037 -0.498 0.000 1.061 434 A CB -0.789 18.038 19.000 -0.288 0.000 1.173 434 A HN 1.786 nan 8.150 nan 0.000 0.482 435 G N 0.739 108.861 108.800 -1.131 0.000 2.698 435 G HA2 -0.116 3.845 3.960 0.001 0.000 0.233 435 G HA3 -0.116 3.845 3.960 0.001 0.000 0.233 435 G C -3.094 171.563 174.900 -0.406 0.000 1.352 435 G CA -0.353 44.405 45.100 -0.571 0.000 0.879 435 G HN 0.464 nan 8.290 nan 0.000 0.567 436 P HA 0.355 nan 4.420 nan 0.000 0.282 436 P C 0.520 177.750 177.300 -0.116 0.000 1.262 436 P CA -0.095 62.952 63.100 -0.089 0.000 0.773 436 P CB 1.627 33.319 31.700 -0.012 0.000 0.879 437 E N 4.510 124.599 120.200 -0.185 0.000 2.058 437 E HA -0.171 4.180 4.350 0.001 0.000 0.194 437 E C -0.009 176.547 176.600 -0.073 0.000 0.997 437 E CA 1.984 58.280 56.400 -0.173 0.000 0.801 437 E CB -0.346 29.169 29.700 -0.309 0.000 0.746 437 E HN 0.565 nan 8.360 nan 0.000 0.450 438 Y N -3.216 117.085 120.300 0.002 0.000 2.713 438 Y HA 0.625 5.176 4.550 0.001 0.000 0.335 438 Y C -1.110 174.805 175.900 0.024 0.000 1.222 438 Y CA -1.688 56.416 58.100 0.007 0.000 1.061 438 Y CB 0.581 39.039 38.460 -0.002 0.000 1.314 438 Y HN -0.088 nan 8.280 nan 0.000 0.453 439 K N 0.957 121.570 120.400 0.355 0.000 2.568 439 K HA 0.601 4.922 4.320 0.001 0.000 0.273 439 K C -2.587 174.169 176.600 0.259 0.000 0.951 439 K CA -0.822 55.617 56.287 0.253 0.000 0.854 439 K CB 2.435 35.013 32.500 0.129 0.000 1.424 439 K HN 1.067 nan 8.250 nan 0.000 0.427 440 H N 1.469 120.596 119.070 0.095 0.000 3.042 440 H HA 0.258 4.815 4.556 0.001 0.000 0.345 440 H C -1.937 173.413 175.328 0.037 0.000 1.052 440 H CA -0.353 55.722 56.048 0.044 0.000 1.311 440 H CB 1.920 31.690 29.762 0.014 0.000 1.810 440 H HN 0.530 nan 8.280 nan 0.000 0.505 441 Q N 3.633 123.173 119.800 -0.433 0.000 2.560 441 Q HA 0.262 4.602 4.340 0.001 0.000 0.238 441 Q C -0.918 174.744 176.000 -0.562 0.000 1.079 441 Q CA -0.786 54.808 55.803 -0.349 0.000 0.866 441 Q CB 0.684 29.327 28.738 -0.158 0.000 1.153 441 Q HN 0.608 nan 8.270 nan 0.000 0.530 442 E N 2.772 122.613 120.200 -0.600 0.000 2.384 442 E HA 0.119 4.469 4.350 0.001 0.000 0.266 442 E C -0.605 175.903 176.600 -0.155 0.000 1.012 442 E CA -0.356 55.840 56.400 -0.341 0.000 0.901 442 E CB 0.484 30.132 29.700 -0.087 0.000 0.967 442 E HN 0.674 nan 8.360 nan 0.000 0.435 443 M N 4.818 124.368 119.600 -0.083 0.000 2.474 443 M HA 0.191 4.671 4.480 0.001 0.000 0.352 443 M C 0.829 177.109 176.300 -0.032 0.000 1.690 443 M CA 1.399 56.670 55.300 -0.047 0.000 1.112 443 M CB -0.764 31.824 32.600 -0.020 0.000 2.062 443 M HN 0.680 nan 8.290 nan 0.000 0.461 444 G N 3.026 111.806 108.800 -0.033 0.000 2.137 444 G HA2 -0.169 3.792 3.960 0.001 0.000 0.237 444 G HA3 -0.169 3.792 3.960 0.001 0.000 0.237 444 G C -0.147 174.740 174.900 -0.022 0.000 1.002 444 G CA 0.051 45.137 45.100 -0.022 0.000 0.702 444 G HN 0.698 nan 8.290 nan 0.000 0.515 445 Q N -0.710 119.071 119.800 -0.032 0.000 2.496 445 Q HA 0.549 4.890 4.340 0.001 0.000 0.286 445 Q C -2.541 173.443 176.000 -0.027 0.000 1.103 445 Q CA -1.744 54.045 55.803 -0.025 0.000 0.813 445 Q CB 1.499 30.223 28.738 -0.023 0.000 1.444 445 Q HN 0.160 nan 8.270 nan 0.000 0.443 446 P HA -0.003 nan 4.420 nan 0.000 0.266 446 P C -0.154 177.136 177.300 -0.017 0.000 1.195 446 P CA -0.012 63.081 63.100 -0.012 0.000 0.768 446 P CB 0.461 32.161 31.700 -0.001 0.000 0.838 447 N N 1.407 120.097 118.700 -0.016 0.000 2.479 447 N HA 0.094 4.835 4.740 0.001 0.000 0.257 447 N C -1.165 174.354 175.510 0.015 0.000 1.232 447 N CA -0.077 52.963 53.050 -0.017 0.000 0.920 447 N CB 0.503 38.983 38.487 -0.012 0.000 1.105 447 N HN 0.026 nan 8.380 nan 0.000 0.444 448 V N 2.120 122.058 119.914 0.039 0.000 2.444 448 V HA 0.402 4.523 4.120 0.001 0.000 0.294 448 V C -0.496 175.674 176.094 0.126 0.000 1.022 448 V CA -0.519 61.837 62.300 0.094 0.000 0.850 448 V CB 1.047 32.952 31.823 0.136 0.000 0.992 448 V HN 0.844 nan 8.190 nan 0.000 0.426 449 S N 2.610 118.363 115.700 0.088 0.000 2.537 449 S HA 0.830 5.300 4.470 0.001 0.000 0.271 449 S C -0.622 173.944 174.600 -0.057 0.000 1.148 449 S CA -0.433 57.797 58.200 0.049 0.000 0.868 449 S CB 2.286 65.510 63.200 0.040 0.000 1.115 449 S HN 0.928 nan 8.310 nan 0.000 0.461 450 T N -1.167 113.242 114.554 -0.242 0.000 2.916 450 T HA 0.755 5.106 4.350 0.001 0.000 0.292 450 T C -0.587 173.980 174.700 -0.221 0.000 1.064 450 T CA -0.866 61.074 62.100 -0.266 0.000 1.011 450 T CB 1.516 70.120 68.868 -0.441 0.000 1.152 450 T HN 0.953 nan 8.240 nan 0.000 0.510 451 E N 0.965 121.098 120.200 -0.111 0.000 2.277 451 E HA 0.436 4.786 4.350 0.001 0.000 0.274 451 E C -0.348 176.190 176.600 -0.103 0.000 1.022 451 E CA -1.125 55.255 56.400 -0.034 0.000 0.853 451 E CB 1.427 31.219 29.700 0.153 0.000 1.086 451 E HN 0.681 nan 8.360 nan 0.000 0.397 452 R N 1.837 122.230 120.500 -0.178 0.000 2.297 452 R HA 0.258 4.599 4.340 0.001 0.000 0.308 452 R C -0.707 175.536 176.300 -0.094 0.000 1.029 452 R CA -0.645 55.367 56.100 -0.147 0.000 0.929 452 R CB 0.768 30.960 30.300 -0.180 0.000 1.046 452 R HN 0.496 nan 8.270 nan 0.000 0.461 453 R N 3.297 123.828 120.500 0.051 0.000 2.534 453 R HA 0.285 4.626 4.340 0.001 0.000 0.301 453 R C -0.906 175.555 176.300 0.268 0.000 0.961 453 R CA -0.682 55.529 56.100 0.185 0.000 0.871 453 R CB 1.982 32.484 30.300 0.337 0.000 1.170 453 R HN 0.740 nan 8.270 nan 0.000 0.446 454 E N 1.761 122.018 120.200 0.094 0.000 2.207 454 E HA 0.369 4.720 4.350 0.001 0.000 0.270 454 E C -0.795 175.666 176.600 -0.231 0.000 0.927 454 E CA -1.073 55.293 56.400 -0.055 0.000 0.799 454 E CB 2.304 31.817 29.700 -0.311 0.000 1.172 454 E HN 0.108 nan 8.360 nan 0.000 0.404 455 L N 2.969 123.835 121.223 -0.594 0.000 2.272 455 L HA 0.342 4.683 4.340 0.001 0.000 0.289 455 L C -1.319 175.247 176.870 -0.507 0.000 1.032 455 L CA -0.592 53.724 54.840 -0.874 0.000 0.810 455 L CB 1.355 42.434 42.059 -1.634 0.000 1.205 455 L HN 0.306 nan 8.230 nan 0.000 0.422 456 V N 5.861 125.377 119.914 -0.663 0.000 2.435 456 V HA 0.476 4.597 4.120 0.001 0.000 0.290 456 V C -0.401 175.357 176.094 -0.560 0.000 1.030 456 V CA -0.695 61.210 62.300 -0.658 0.000 0.881 456 V CB 1.909 33.053 31.823 -1.133 0.000 0.983 456 V HN 0.481 nan 8.190 nan 0.000 0.445 457 V N 5.983 125.789 119.914 -0.179 0.000 2.370 457 V HA 0.550 4.671 4.120 0.001 0.000 0.283 457 V C 0.069 176.248 176.094 0.141 0.000 1.023 457 V CA -0.594 61.692 62.300 -0.025 0.000 0.857 457 V CB 1.405 33.287 31.823 0.099 0.000 0.985 457 V HN 0.875 nan 8.190 nan 0.000 0.443 458 R N 3.707 124.318 120.500 0.185 0.000 2.599 458 R HA 0.579 4.920 4.340 0.001 0.000 0.295 458 R C -2.041 174.534 176.300 0.459 0.000 0.963 458 R CA -0.610 55.698 56.100 0.347 0.000 0.883 458 R CB 1.881 32.413 30.300 0.386 0.000 1.171 458 R HN 0.692 nan 8.270 nan 0.000 0.450 459 W N 6.565 128.046 121.300 0.301 0.000 3.129 459 W HA 0.536 5.197 4.660 0.001 0.000 0.333 459 W C -1.947 174.765 176.519 0.322 0.000 1.141 459 W CA -0.742 56.771 57.345 0.281 0.000 1.224 459 W CB 1.133 30.765 29.460 0.286 0.000 1.393 459 W HN 0.429 nan 8.180 nan 0.000 0.499 460 I N 5.259 125.616 120.570 -0.356 0.000 2.509 460 I HA 0.495 4.665 4.170 0.001 0.000 0.293 460 I C -0.269 175.386 176.117 -0.770 0.000 1.020 460 I CA -1.001 60.014 61.300 -0.475 0.000 1.088 460 I CB 2.056 39.943 38.000 -0.188 0.000 1.267 460 I HN 0.368 nan 8.210 nan 0.000 0.430 461 S N 3.474 118.794 115.700 -0.634 0.000 2.571 461 S HA 0.571 5.042 4.470 0.001 0.000 0.284 461 S C -0.818 173.716 174.600 -0.110 0.000 1.128 461 S CA -0.344 57.634 58.200 -0.371 0.000 0.970 461 S CB 1.634 64.542 63.200 -0.485 0.000 1.039 461 S HN 0.581 nan 8.310 nan 0.000 0.485 462 T N 3.914 118.434 114.554 -0.057 0.000 2.779 462 T HA 0.522 4.873 4.350 0.001 0.000 0.280 462 T C -0.802 173.911 174.700 0.021 0.000 0.987 462 T CA -0.465 61.601 62.100 -0.056 0.000 0.966 462 T CB 1.243 70.057 68.868 -0.090 0.000 0.933 462 T HN 0.500 nan 8.240 nan 0.000 0.442 463 V N 3.715 123.645 119.914 0.027 0.000 2.289 463 V HA 0.635 4.756 4.120 0.001 0.000 0.272 463 V C 1.094 177.159 176.094 -0.049 0.000 1.026 463 V CA 0.104 62.424 62.300 0.032 0.000 0.807 463 V CB -0.001 31.849 31.823 0.044 0.000 1.044 463 V HN 1.239 nan 8.190 nan 0.000 0.443 464 G N 5.787 114.641 108.800 0.089 0.000 2.720 464 G HA2 -0.404 3.557 3.960 0.001 0.000 0.293 464 G HA3 -0.404 3.557 3.960 0.001 0.000 0.293 464 G C 0.807 175.658 174.900 -0.081 0.000 1.256 464 G CA 1.194 46.434 45.100 0.233 0.000 0.974 464 G HN 0.938 nan 8.290 nan 0.000 0.551 465 N N -1.316 116.988 118.700 -0.659 0.000 2.402 465 N HA 0.271 5.011 4.740 0.001 0.000 0.174 465 N C 1.059 176.063 175.510 -0.844 0.000 1.027 465 N CA 0.434 52.674 53.050 -1.350 0.000 0.891 465 N CB 0.118 37.240 38.487 -2.275 0.000 1.016 465 N HN 0.643 nan 8.380 nan 0.000 0.439 466 Y N 0.455 120.372 120.300 -0.639 0.000 2.376 466 Y HA 0.299 4.850 4.550 0.001 0.000 0.325 466 Y C -0.704 174.748 175.900 -0.748 0.000 1.199 466 Y CA -1.237 56.449 58.100 -0.692 0.000 1.206 466 Y CB 1.180 39.216 38.460 -0.708 0.000 1.229 466 Y HN 0.056 nan 8.280 nan 0.000 0.480 467 D N 1.479 121.510 120.400 -0.614 0.000 2.505 467 D HA 0.301 4.942 4.640 0.001 0.000 0.249 467 D C -1.637 174.192 176.300 -0.785 0.000 1.082 467 D CA -0.388 53.270 54.000 -0.569 0.000 0.839 467 D CB 1.216 41.794 40.800 -0.371 0.000 1.317 467 D HN 0.229 nan 8.370 nan 0.000 0.497 468 Y N 0.816 120.947 120.300 -0.281 0.000 2.376 468 Y HA 0.555 5.105 4.550 0.001 0.000 0.340 468 Y C -0.111 175.464 175.900 -0.541 0.000 0.965 468 Y CA -0.993 56.853 58.100 -0.423 0.000 1.078 468 Y CB 1.338 39.662 38.460 -0.227 0.000 1.193 468 Y HN 0.193 nan 8.280 nan 0.000 0.452 469 I N 4.179 124.391 120.570 -0.596 0.000 2.406 469 I HA 0.403 4.574 4.170 0.001 0.000 0.290 469 I C -1.284 174.520 176.117 -0.521 0.000 0.999 469 I CA -0.628 60.424 61.300 -0.413 0.000 1.124 469 I CB 1.102 38.907 38.000 -0.326 0.000 1.289 469 I HN 0.366 nan 8.210 nan 0.000 0.441 470 F N 3.450 123.509 119.950 0.182 0.000 2.467 470 F HA 0.431 4.959 4.527 0.001 0.000 0.336 470 F C -0.282 175.699 175.800 0.302 0.000 1.123 470 F CA -0.821 57.342 58.000 0.272 0.000 0.964 470 F CB 1.318 40.615 39.000 0.495 0.000 1.136 470 F HN 0.318 nan 8.300 nan 0.000 0.447 471 D N 2.558 123.119 120.400 0.267 0.000 2.344 471 D HA 0.233 4.874 4.640 0.001 0.000 0.239 471 D C -1.303 174.912 176.300 -0.143 0.000 1.064 471 D CA -0.262 53.818 54.000 0.132 0.000 0.829 471 D CB 1.059 41.884 40.800 0.041 0.000 1.129 471 D HN 0.320 nan 8.370 nan 0.000 0.506 472 W N 2.868 124.087 121.300 -0.135 0.000 2.314 472 W HA 0.488 5.149 4.660 0.001 0.000 0.310 472 W C 0.003 176.217 176.519 -0.508 0.000 1.075 472 W CA -0.612 56.517 57.345 -0.361 0.000 1.253 472 W CB 0.522 29.777 29.460 -0.342 0.000 1.238 472 W HN 0.141 nan 8.180 nan 0.000 0.440 473 I N 4.333 124.619 120.570 -0.473 0.000 2.382 473 I HA 0.299 4.469 4.170 0.001 0.000 0.286 473 I C -0.924 174.897 176.117 -0.493 0.000 1.002 473 I CA -0.875 60.191 61.300 -0.391 0.000 1.135 473 I CB 0.649 38.500 38.000 -0.249 0.000 1.288 473 I HN 0.123 nan 8.210 nan 0.000 0.448 474 F N 4.814 124.594 119.950 -0.283 0.000 2.313 474 F HA 0.344 4.872 4.527 0.001 0.000 0.369 474 F C 0.934 176.869 175.800 0.226 0.000 1.109 474 F CA -0.514 57.337 58.000 -0.248 0.000 1.132 474 F CB 0.070 38.642 39.000 -0.713 0.000 1.291 474 F HN 0.399 nan 8.300 nan 0.000 0.496 475 H N 2.982 122.275 119.070 0.371 0.000 2.815 475 H HA 0.016 4.573 4.556 0.001 0.000 0.350 475 H C 1.067 176.879 175.328 0.807 0.000 1.080 475 H CA 0.063 56.402 56.048 0.485 0.000 1.433 475 H CB 1.124 31.060 29.762 0.291 0.000 1.432 475 H HN 0.701 nan 8.280 nan 0.000 0.592 476 E N 1.965 122.566 120.200 0.668 0.000 2.204 476 E HA -0.210 4.140 4.350 0.001 0.000 0.195 476 E C 0.851 177.663 176.600 0.354 0.000 0.990 476 E CA 1.290 57.935 56.400 0.409 0.000 0.821 476 E CB -0.280 29.462 29.700 0.071 0.000 0.750 476 E HN 0.731 nan 8.360 nan 0.000 0.477 477 N N 0.176 119.073 118.700 0.330 0.000 2.449 477 N HA 0.036 4.776 4.740 0.001 0.000 0.191 477 N C 1.136 176.716 175.510 0.116 0.000 1.161 477 N CA 0.415 53.550 53.050 0.141 0.000 0.863 477 N CB 0.656 39.200 38.487 0.095 0.000 0.980 477 N HN 0.311 nan 8.380 nan 0.000 0.458 478 G N -0.100 108.951 108.800 0.419 0.000 2.238 478 G HA2 -0.239 3.722 3.960 0.001 0.000 0.217 478 G HA3 -0.239 3.722 3.960 0.001 0.000 0.217 478 G C 0.147 175.435 174.900 0.647 0.000 0.996 478 G CA 0.035 45.383 45.100 0.412 0.000 0.632 478 G HN 0.388 nan 8.290 nan 0.000 0.503 479 T N 1.573 116.356 114.554 0.381 0.000 2.901 479 T HA 0.562 4.913 4.350 0.001 0.000 0.301 479 T C 0.365 175.123 174.700 0.096 0.000 1.012 479 T CA 0.508 62.657 62.100 0.081 0.000 1.135 479 T CB 1.261 69.890 68.868 -0.399 0.000 0.936 479 T HN 0.326 nan 8.240 nan 0.000 0.539 480 I N 2.097 122.658 120.570 -0.015 0.000 2.406 480 I HA 0.516 4.687 4.170 0.001 0.000 0.290 480 I C 0.747 176.700 176.117 -0.274 0.000 0.999 480 I CA -0.736 60.431 61.300 -0.221 0.000 1.124 480 I CB 1.849 39.645 38.000 -0.339 0.000 1.289 480 I HN 0.676 nan 8.210 nan 0.000 0.441 481 G N 6.601 115.239 108.800 -0.270 0.000 2.400 481 G HA2 0.809 4.769 3.960 0.001 0.000 0.333 481 G HA3 0.809 4.769 3.960 0.001 0.000 0.333 481 G C -0.892 173.736 174.900 -0.453 0.000 1.143 481 G CA -0.445 44.498 45.100 -0.262 0.000 0.914 481 G HN 0.494 nan 8.290 nan 0.000 0.480 482 I N 1.459 121.715 120.570 -0.524 0.000 2.478 482 I HA 0.308 4.479 4.170 0.001 0.000 0.287 482 I C -1.441 174.357 176.117 -0.531 0.000 1.042 482 I CA -0.784 60.027 61.300 -0.815 0.000 1.067 482 I CB 2.413 39.544 38.000 -1.448 0.000 1.233 482 I HN 0.215 nan 8.210 nan 0.000 0.431 483 D N 4.987 125.183 120.400 -0.339 0.000 2.481 483 D HA 0.725 5.366 4.640 0.001 0.000 0.244 483 D C -0.700 175.590 176.300 -0.016 0.000 1.057 483 D CA -0.302 53.653 54.000 -0.075 0.000 0.848 483 D CB 2.434 43.287 40.800 0.088 0.000 1.388 483 D HN 0.574 nan 8.370 nan 0.000 0.475 484 A N 0.954 123.694 122.820 -0.134 0.000 2.331 484 A HA 0.794 5.115 4.320 0.001 0.000 0.320 484 A C 0.146 177.347 177.584 -0.638 0.000 1.138 484 A CA -0.610 51.089 52.037 -0.563 0.000 0.790 484 A CB 1.377 19.708 19.000 -1.115 0.000 1.206 484 A HN 0.494 nan 8.150 nan 0.000 0.470 485 G N 0.062 108.250 108.800 -1.020 0.000 2.453 485 G HA2 0.760 4.720 3.960 0.001 0.000 0.323 485 G HA3 0.760 4.720 3.960 0.001 0.000 0.323 485 G C -0.577 173.768 174.900 -0.924 0.000 1.198 485 G CA -0.026 44.199 45.100 -1.459 0.000 0.959 485 G HN 1.584 nan 8.290 nan 0.000 0.482 486 A N 0.369 122.700 122.820 -0.815 0.000 2.393 486 A HA 0.909 5.229 4.320 0.001 0.000 0.306 486 A C -0.180 177.030 177.584 -0.625 0.000 1.050 486 A CA -0.211 51.416 52.037 -0.684 0.000 0.724 486 A CB 2.147 20.714 19.000 -0.721 0.000 1.248 486 A HN 1.250 nan 8.150 nan 0.000 0.424 487 T N 0.233 114.461 114.554 -0.543 0.000 2.612 487 T HA 0.797 5.148 4.350 0.001 0.000 0.296 487 T C 0.530 175.072 174.700 -0.262 0.000 1.148 487 T CA 1.038 62.929 62.100 -0.349 0.000 1.077 487 T CB 0.619 69.287 68.868 -0.333 0.000 1.591 487 T HN 2.786 nan 8.240 nan 0.000 0.479 488 G N 0.671 109.307 108.800 -0.273 0.000 2.499 488 G HA2 -0.024 3.936 3.960 0.001 0.000 0.232 488 G HA3 -0.024 3.936 3.960 0.001 0.000 0.232 488 G C -1.152 173.538 174.900 -0.350 0.000 1.251 488 G CA -0.136 44.746 45.100 -0.363 0.000 0.917 488 G HN 0.947 nan 8.290 nan 0.000 0.580 489 I N 1.468 121.720 120.570 -0.531 0.000 2.404 489 I HA 0.429 4.600 4.170 0.001 0.000 0.293 489 I C 0.641 176.404 176.117 -0.591 0.000 0.992 489 I CA -0.917 60.055 61.300 -0.546 0.000 1.149 489 I CB 1.022 38.571 38.000 -0.752 0.000 1.315 489 I HN 0.652 nan 8.210 nan 0.000 0.446 490 E N 3.195 123.290 120.200 -0.175 0.000 2.383 490 E HA 0.397 4.747 4.350 0.001 0.000 0.264 490 E C -0.025 176.515 176.600 -0.099 0.000 1.050 490 E CA -0.438 55.867 56.400 -0.159 0.000 0.896 490 E CB 1.050 30.866 29.700 0.194 0.000 0.982 490 E HN 0.709 nan 8.360 nan 0.000 0.424 491 A N 2.740 125.478 122.820 -0.136 0.000 2.395 491 A HA 0.295 4.615 4.320 0.001 0.000 0.286 491 A C -0.021 177.753 177.584 0.316 0.000 1.193 491 A CA -0.512 51.592 52.037 0.111 0.000 0.852 491 A CB -0.331 18.667 19.000 -0.002 0.000 1.118 491 A HN 0.373 nan 8.150 nan 0.000 0.524 492 V N 0.869 120.990 119.914 0.345 0.000 2.667 492 V HA 0.670 4.791 4.120 0.001 0.000 0.308 492 V C -0.192 176.132 176.094 0.383 0.000 1.048 492 V CA -1.071 61.340 62.300 0.185 0.000 0.928 492 V CB 1.565 33.261 31.823 -0.213 0.000 1.004 492 V HN 0.833 nan 8.190 nan 0.000 0.444 493 K N 2.959 123.453 120.400 0.157 0.000 2.156 493 K HA 0.647 4.968 4.320 0.001 0.000 0.271 493 K C 0.307 176.966 176.600 0.098 0.000 0.995 493 K CA -0.113 56.300 56.287 0.209 0.000 0.890 493 K CB 1.257 33.621 32.500 -0.228 0.000 1.073 493 K HN 1.175 nan 8.250 nan 0.000 0.454 494 G N 2.360 111.251 108.800 0.151 0.000 2.370 494 G HA2 0.437 4.398 3.960 0.001 0.000 0.272 494 G HA3 0.437 4.398 3.960 0.001 0.000 0.272 494 G C -0.687 174.248 174.900 0.058 0.000 1.208 494 G CA -0.422 44.736 45.100 0.096 0.000 0.856 494 G HN 0.517 nan 8.290 nan 0.000 0.500 495 V N 0.058 119.992 119.914 0.033 0.000 3.114 495 V HA 0.569 4.690 4.120 0.001 0.000 0.308 495 V C 0.702 176.810 176.094 0.024 0.000 1.168 495 V CA -1.150 61.159 62.300 0.016 0.000 1.015 495 V CB 2.102 33.914 31.823 -0.018 0.000 1.050 495 V HN 0.657 nan 8.190 nan 0.000 0.433 496 K N 1.410 121.821 120.400 0.019 0.000 2.217 496 K HA 0.306 4.627 4.320 0.001 0.000 0.202 496 K C 1.018 177.632 176.600 0.023 0.000 1.051 496 K CA 1.195 57.495 56.287 0.022 0.000 0.952 496 K CB 0.080 32.590 32.500 0.017 0.000 0.736 496 K HN 0.964 nan 8.250 nan 0.000 0.453 497 A N 1.840 124.669 122.820 0.015 0.000 2.450 497 A HA 0.062 4.382 4.320 0.001 0.000 0.255 497 A C 0.691 178.306 177.584 0.051 0.000 1.096 497 A CA -0.038 52.012 52.037 0.021 0.000 0.778 497 A CB 0.472 19.473 19.000 0.001 0.000 1.031 497 A HN 0.130 nan 8.150 nan 0.000 0.494 498 K N 0.497 120.936 120.400 0.066 0.000 2.099 498 K HA 0.027 4.348 4.320 0.001 0.000 0.203 498 K C 0.896 177.643 176.600 0.245 0.000 1.047 498 K CA 1.608 57.975 56.287 0.134 0.000 0.963 498 K CB -0.003 32.480 32.500 -0.029 0.000 0.759 498 K HN 0.896 nan 8.250 nan 0.000 0.451 499 T N -2.557 112.076 114.554 0.131 0.000 2.926 499 T HA 0.264 4.614 4.350 0.001 0.000 0.289 499 T C 0.821 175.500 174.700 -0.034 0.000 1.054 499 T CA -0.839 61.312 62.100 0.086 0.000 1.015 499 T CB 1.329 70.282 68.868 0.141 0.000 1.167 499 T HN -0.233 nan 8.240 nan 0.000 0.526 500 M N 0.874 120.369 119.600 -0.175 0.000 2.700 500 M HA -0.008 4.473 4.480 0.001 0.000 0.249 500 M C 1.262 177.393 176.300 -0.283 0.000 1.082 500 M CA 0.981 56.138 55.300 -0.239 0.000 1.077 500 M CB -1.347 31.080 32.600 -0.289 0.000 1.477 500 M HN 0.642 nan 8.290 nan 0.000 0.529 501 H N -0.800 118.276 119.070 0.011 0.000 2.548 501 H HA 0.169 4.725 4.556 0.001 0.000 0.265 501 H C 0.006 175.335 175.328 0.002 0.000 0.969 501 H CA -0.011 56.041 56.048 0.006 0.000 1.155 501 H CB 0.159 29.927 29.762 0.009 0.000 1.394 501 H HN 0.251 nan 8.280 nan 0.000 0.570 502 D N 1.139 121.588 120.400 0.082 0.000 2.344 502 D HA -0.034 4.607 4.640 0.001 0.000 0.244 502 D C 1.566 177.882 176.300 0.026 0.000 1.134 502 D CA -0.094 53.937 54.000 0.051 0.000 0.930 502 D CB 1.090 41.912 40.800 0.037 0.000 1.175 502 D HN 0.416 nan 8.370 nan 0.000 0.437 503 E N -0.667 119.544 120.200 0.019 0.000 2.153 503 E HA -0.182 4.168 4.350 0.001 0.000 0.194 503 E C 1.100 177.698 176.600 -0.004 0.000 0.988 503 E CA 1.202 57.607 56.400 0.008 0.000 0.811 503 E CB -0.440 29.264 29.700 0.007 0.000 0.746 503 E HN 0.468 nan 8.360 nan 0.000 0.466 504 T N -1.372 113.178 114.554 -0.006 0.000 3.113 504 T HA 0.363 4.714 4.350 0.001 0.000 0.256 504 T C 1.955 176.636 174.700 -0.031 0.000 1.131 504 T CA 0.342 62.433 62.100 -0.016 0.000 1.074 504 T CB 0.249 69.111 68.868 -0.009 0.000 0.944 504 T HN 0.294 nan 8.240 nan 0.000 0.516 505 A N 3.022 125.822 122.820 -0.033 0.000 1.881 505 A HA -0.264 4.057 4.320 0.001 0.000 0.219 505 A C 2.296 179.836 177.584 -0.074 0.000 1.215 505 A CA 2.428 54.433 52.037 -0.054 0.000 0.648 505 A CB -0.944 18.019 19.000 -0.061 0.000 0.832 505 A HN 0.567 nan 8.150 nan 0.000 0.455 506 K N -0.781 119.577 120.400 -0.071 0.000 2.152 506 K HA -0.198 4.122 4.320 0.001 0.000 0.206 506 K C 1.236 177.765 176.600 -0.118 0.000 1.048 506 K CA 1.987 58.220 56.287 -0.090 0.000 0.933 506 K CB -0.172 32.284 32.500 -0.072 0.000 0.721 506 K HN 0.469 nan 8.250 nan 0.000 0.447 507 D N 0.371 120.713 120.400 -0.097 0.000 2.183 507 D HA -0.077 4.564 4.640 0.001 0.000 0.205 507 D C 1.254 177.487 176.300 -0.112 0.000 0.962 507 D CA 0.790 54.726 54.000 -0.107 0.000 0.849 507 D CB -0.097 40.667 40.800 -0.059 0.000 0.978 507 D HN 0.254 nan 8.370 nan 0.000 0.488 508 D N 0.084 120.433 120.400 -0.085 0.000 2.117 508 D HA -0.097 4.544 4.640 0.001 0.000 0.198 508 D C 2.005 178.236 176.300 -0.115 0.000 0.982 508 D CA 1.406 55.359 54.000 -0.078 0.000 0.828 508 D CB -0.311 40.453 40.800 -0.060 0.000 0.967 508 D HN 0.292 nan 8.370 nan 0.000 0.464 509 T N -1.852 112.622 114.554 -0.134 0.000 3.129 509 T HA 0.083 4.433 4.350 0.001 0.000 0.251 509 T C 1.666 176.241 174.700 -0.208 0.000 1.117 509 T CA -0.167 61.843 62.100 -0.149 0.000 1.034 509 T CB 0.263 69.055 68.868 -0.126 0.000 0.968 509 T HN -0.010 nan 8.240 nan 0.000 0.526 510 R N -0.085 120.226 120.500 -0.315 0.000 2.139 510 R HA -0.119 4.221 4.340 0.001 0.000 0.243 510 R C 0.676 176.604 176.300 -0.620 0.000 1.145 510 R CA 1.510 57.282 56.100 -0.546 0.000 0.976 510 R CB -0.178 29.619 30.300 -0.839 0.000 0.866 510 R HN 0.556 nan 8.270 nan 0.000 0.449 511 Y N -1.943 118.278 120.300 -0.132 0.000 2.500 511 Y HA 0.449 5.000 4.550 0.001 0.000 0.246 511 Y C 0.661 176.460 175.900 -0.168 0.000 1.146 511 Y CA 0.163 58.174 58.100 -0.149 0.000 1.230 511 Y CB 1.620 39.974 38.460 -0.176 0.000 1.214 511 Y HN 0.134 nan 8.280 nan 0.000 0.526 512 G N -1.027 107.729 108.800 -0.073 0.000 2.451 512 G HA2 0.355 4.315 3.960 0.001 0.000 0.292 512 G HA3 0.355 4.315 3.960 0.001 0.000 0.292 512 G C -1.266 173.562 174.900 -0.120 0.000 1.427 512 G CA -0.885 44.153 45.100 -0.103 0.000 0.792 512 G HN -0.228 nan 8.290 nan 0.000 0.498 513 T N 0.634 115.118 114.554 -0.117 0.000 2.897 513 T HA 0.372 4.723 4.350 0.001 0.000 0.294 513 T C 0.274 174.896 174.700 -0.129 0.000 1.004 513 T CA -0.132 61.904 62.100 -0.107 0.000 1.106 513 T CB 1.399 70.219 68.868 -0.081 0.000 0.949 513 T HN 0.601 nan 8.240 nan 0.000 0.520 514 L N 5.205 126.356 121.223 -0.119 0.000 2.454 514 L HA 0.285 4.625 4.340 0.001 0.000 0.284 514 L C 0.848 177.634 176.870 -0.140 0.000 1.139 514 L CA 0.185 54.946 54.840 -0.131 0.000 0.911 514 L CB -0.585 41.414 42.059 -0.101 0.000 1.262 514 L HN 0.704 nan 8.230 nan 0.000 0.453 515 I N -0.053 120.393 120.570 -0.206 0.000 3.783 515 I HA 0.446 4.617 4.170 0.001 0.000 0.310 515 I C 0.152 176.137 176.117 -0.219 0.000 1.274 515 I CA 0.066 61.252 61.300 -0.190 0.000 1.294 515 I CB 0.018 37.899 38.000 -0.198 0.000 1.051 515 I HN 0.439 nan 8.210 nan 0.000 0.435 516 D N -0.316 119.914 120.400 -0.284 0.000 2.622 516 D HA 0.247 4.887 4.640 0.001 0.000 0.255 516 D C -0.935 175.265 176.300 -0.167 0.000 1.246 516 D CA -0.634 53.233 54.000 -0.222 0.000 0.795 516 D CB 1.229 41.937 40.800 -0.153 0.000 1.369 516 D HN 0.151 nan 8.370 nan 0.000 0.425 517 H N 1.214 120.303 119.070 0.031 0.000 3.167 517 H HA 0.031 4.588 4.556 0.001 0.000 0.306 517 H C 0.627 175.963 175.328 0.013 0.000 0.965 517 H CA 1.251 57.316 56.048 0.030 0.000 1.408 517 H CB -0.083 29.718 29.762 0.064 0.000 1.406 517 H HN 0.402 nan 8.280 nan 0.000 0.576 518 N N 0.209 118.984 118.700 0.125 0.000 2.815 518 N HA -0.178 4.563 4.740 0.001 0.000 0.247 518 N C -1.112 174.403 175.510 0.009 0.000 1.030 518 N CA 0.960 54.052 53.050 0.069 0.000 0.881 518 N CB -0.414 38.137 38.487 0.106 0.000 1.134 518 N HN 0.378 nan 8.380 nan 0.000 0.582 519 I N 0.940 121.465 120.570 -0.075 0.000 2.436 519 I HA 0.409 4.580 4.170 0.001 0.000 0.289 519 I C -0.129 175.825 176.117 -0.272 0.000 1.010 519 I CA -0.639 60.532 61.300 -0.216 0.000 1.098 519 I CB 1.750 39.478 38.000 -0.452 0.000 1.266 519 I HN -0.276 nan 8.210 nan 0.000 0.434 520 V N 4.577 124.348 119.914 -0.238 0.000 2.487 520 V HA 0.502 4.623 4.120 0.001 0.000 0.298 520 V C 0.682 176.627 176.094 -0.248 0.000 1.028 520 V CA -0.620 61.541 62.300 -0.232 0.000 0.860 520 V CB 2.045 33.758 31.823 -0.183 0.000 0.991 520 V HN 0.915 nan 8.190 nan 0.000 0.427 521 G N 2.817 111.481 108.800 -0.225 0.000 2.865 521 G HA2 0.269 4.230 3.960 0.001 0.000 0.292 521 G HA3 0.269 4.230 3.960 0.001 0.000 0.292 521 G C 0.395 175.235 174.900 -0.099 0.000 0.800 521 G CA -0.139 44.872 45.100 -0.148 0.000 1.838 521 G HN 0.675 nan 8.290 nan 0.000 0.535 522 T N 2.189 116.658 114.554 -0.141 0.000 2.819 522 T HA 0.002 4.353 4.350 0.001 0.000 0.282 522 T C 1.196 175.992 174.700 0.161 0.000 1.013 522 T CA 0.538 62.559 62.100 -0.132 0.000 1.159 522 T CB 0.316 68.893 68.868 -0.484 0.000 1.007 522 T HN 0.410 nan 8.240 nan 0.000 0.514 523 T N 5.319 119.895 114.554 0.036 0.000 2.932 523 T HA 0.260 4.611 4.350 0.001 0.000 0.312 523 T C 0.389 175.117 174.700 0.046 0.000 1.071 523 T CA -0.186 61.877 62.100 -0.061 0.000 1.128 523 T CB 0.073 68.886 68.868 -0.091 0.000 0.984 523 T HN 0.888 nan 8.240 nan 0.000 0.549 524 H N -0.226 118.723 119.070 -0.202 0.000 2.954 524 H HA 0.435 4.992 4.556 0.001 0.000 0.262 524 H C -1.434 173.724 175.328 -0.283 0.000 1.515 524 H CA -1.068 54.778 56.048 -0.336 0.000 1.179 524 H CB 0.904 30.164 29.762 -0.837 0.000 1.888 524 H HN 0.517 nan 8.280 nan 0.000 0.645 525 Q N 0.191 119.880 119.800 -0.186 0.000 2.387 525 Q HA 0.377 4.717 4.340 0.001 0.000 0.273 525 Q C -1.063 174.799 176.000 -0.229 0.000 1.089 525 Q CA -0.946 54.761 55.803 -0.159 0.000 0.824 525 Q CB 2.767 31.479 28.738 -0.044 0.000 1.367 525 Q HN 0.462 nan 8.270 nan 0.000 0.443 526 H N 1.683 120.742 119.070 -0.018 0.000 2.646 526 H HA 0.463 5.020 4.556 0.001 0.000 0.328 526 H C -0.854 174.332 175.328 -0.237 0.000 0.998 526 H CA -0.279 55.679 56.048 -0.150 0.000 1.225 526 H CB 0.865 30.595 29.762 -0.054 0.000 1.457 526 H HN 0.466 nan 8.280 nan 0.000 0.505 527 I N 5.095 125.496 120.570 -0.282 0.000 2.448 527 I HA 0.173 4.344 4.170 0.001 0.000 0.281 527 I C -0.889 175.081 176.117 -0.244 0.000 1.027 527 I CA -0.674 60.536 61.300 -0.150 0.000 1.111 527 I CB 0.849 38.816 38.000 -0.055 0.000 1.236 527 I HN 0.351 nan 8.210 nan 0.000 0.452 528 Y N 4.249 124.619 120.300 0.117 0.000 2.457 528 Y HA 0.490 5.040 4.550 0.001 0.000 0.333 528 Y C 0.149 176.021 175.900 -0.047 0.000 1.119 528 Y CA -0.967 57.134 58.100 0.001 0.000 1.143 528 Y CB 1.306 39.743 38.460 -0.039 0.000 1.230 528 Y HN 0.513 nan 8.280 nan 0.000 0.469 529 N N 0.649 119.287 118.700 -0.102 0.000 2.260 529 N HA 0.565 5.306 4.740 0.001 0.000 0.293 529 N C -2.208 173.043 175.510 -0.431 0.000 1.058 529 N CA -0.486 52.502 53.050 -0.103 0.000 0.824 529 N CB 1.079 39.628 38.487 0.104 0.000 1.551 529 N HN 0.379 nan 8.380 nan 0.000 0.475 530 F N 1.279 121.344 119.950 0.192 0.000 2.482 530 F HA 0.473 5.001 4.527 0.001 0.000 0.331 530 F C 0.559 176.368 175.800 0.015 0.000 1.115 530 F CA -0.820 57.239 58.000 0.099 0.000 0.955 530 F CB 1.629 40.646 39.000 0.027 0.000 1.136 530 F HN 0.282 nan 8.300 nan 0.000 0.452 531 R N 4.774 125.264 120.500 -0.017 0.000 2.215 531 R HA 0.603 4.944 4.340 0.001 0.000 0.336 531 R C -1.802 174.307 176.300 -0.319 0.000 0.996 531 R CA -0.393 55.371 56.100 -0.560 0.000 0.847 531 R CB 0.377 30.133 30.300 -0.907 0.000 1.127 531 R HN 0.819 nan 8.270 nan 0.000 0.465 532 L N 4.501 125.537 121.223 -0.312 0.000 2.366 532 L HA 0.261 4.602 4.340 0.001 0.000 0.266 532 L C -0.375 176.407 176.870 -0.145 0.000 1.010 532 L CA -0.822 53.934 54.840 -0.139 0.000 0.879 532 L CB 1.574 43.611 42.059 -0.038 0.000 1.228 532 L HN 0.525 nan 8.230 nan 0.000 0.439 533 D N 4.246 124.579 120.400 -0.111 0.000 2.545 533 D HA 0.161 4.802 4.640 0.001 0.000 0.227 533 D C -0.118 176.206 176.300 0.039 0.000 1.150 533 D CA 0.014 54.002 54.000 -0.020 0.000 1.046 533 D CB 0.193 41.025 40.800 0.053 0.000 1.098 533 D HN 0.348 nan 8.370 nan 0.000 0.502 534 L N 2.979 124.210 121.223 0.014 0.000 2.407 534 L HA 0.164 4.505 4.340 0.001 0.000 0.282 534 L C 0.179 177.085 176.870 0.059 0.000 1.110 534 L CA -0.248 54.603 54.840 0.018 0.000 0.863 534 L CB 0.571 42.611 42.059 -0.032 0.000 1.207 534 L HN 0.064 nan 8.230 nan 0.000 0.454 535 D N 3.622 124.096 120.400 0.124 0.000 2.468 535 D HA 0.119 4.759 4.640 0.001 0.000 0.218 535 D C -0.077 176.258 176.300 0.058 0.000 1.155 535 D CA -0.148 53.905 54.000 0.088 0.000 0.924 535 D CB 1.331 42.209 40.800 0.130 0.000 1.029 535 D HN 0.070 nan 8.370 nan 0.000 0.515 536 V N 3.138 123.099 119.914 0.077 0.000 2.341 536 V HA -0.023 4.098 4.120 0.001 0.000 0.248 536 V C 0.918 177.129 176.094 0.194 0.000 1.107 536 V CA -0.063 62.350 62.300 0.187 0.000 1.069 536 V CB -0.125 31.844 31.823 0.245 0.000 1.177 536 V HN 0.560 nan 8.190 nan 0.000 0.492 537 D N 3.215 123.733 120.400 0.197 0.000 2.911 537 D HA -0.133 4.508 4.640 0.001 0.000 0.227 537 D C 0.349 176.604 176.300 -0.076 0.000 1.164 537 D CA 1.763 55.785 54.000 0.036 0.000 0.782 537 D CB -0.971 39.765 40.800 -0.106 0.000 1.094 537 D HN 1.145 nan 8.370 nan 0.000 0.425 538 G N -1.270 107.469 108.800 -0.101 0.000 2.350 538 G HA2 0.169 4.130 3.960 0.001 0.000 0.304 538 G HA3 0.169 4.130 3.960 0.001 0.000 0.304 538 G C 0.101 174.933 174.900 -0.113 0.000 1.421 538 G CA 0.295 45.303 45.100 -0.153 0.000 0.934 538 G HN 0.092 nan 8.290 nan 0.000 0.632 539 E N -0.382 119.744 120.200 -0.124 0.000 2.047 539 E HA -0.083 4.268 4.350 0.001 0.000 0.191 539 E C 0.367 176.942 176.600 -0.042 0.000 0.987 539 E CA 0.807 57.156 56.400 -0.085 0.000 0.799 539 E CB -0.060 29.585 29.700 -0.093 0.000 0.752 539 E HN 0.353 nan 8.360 nan 0.000 0.449 540 N N 1.933 120.613 118.700 -0.033 0.000 2.414 540 N HA 0.157 4.897 4.740 0.001 0.000 0.256 540 N C -0.977 174.536 175.510 0.004 0.000 1.029 540 N CA -0.072 52.973 53.050 -0.009 0.000 0.948 540 N CB 1.071 39.553 38.487 -0.007 0.000 1.102 540 N HN 0.149 nan 8.380 nan 0.000 0.496 541 N N 0.003 118.715 118.700 0.020 0.000 2.509 541 N HA 0.484 5.225 4.740 0.001 0.000 0.280 541 N C -0.815 174.718 175.510 0.038 0.000 1.306 541 N CA -0.425 52.645 53.050 0.033 0.000 0.782 541 N CB 1.564 40.079 38.487 0.047 0.000 1.493 541 N HN 0.234 nan 8.380 nan 0.000 0.498 542 S N 0.180 115.904 115.700 0.039 0.000 2.595 542 S HA 0.510 4.981 4.470 0.001 0.000 0.281 542 S C -1.241 173.378 174.600 0.032 0.000 1.117 542 S CA -0.573 57.650 58.200 0.038 0.000 0.873 542 S CB 2.007 65.225 63.200 0.029 0.000 1.108 542 S HN 0.411 nan 8.310 nan 0.000 0.477 543 L N 2.681 123.922 121.223 0.030 0.000 2.282 543 L HA 0.710 5.051 4.340 0.001 0.000 0.288 543 L C -1.173 175.679 176.870 -0.029 0.000 1.033 543 L CA -0.252 54.596 54.840 0.014 0.000 0.807 543 L CB 0.906 42.989 42.059 0.040 0.000 1.209 543 L HN 0.485 nan 8.230 nan 0.000 0.423 544 V N 4.592 124.459 119.914 -0.077 0.000 2.628 544 V HA 0.836 4.957 4.120 0.001 0.000 0.306 544 V C 0.032 175.982 176.094 -0.240 0.000 1.045 544 V CA -0.584 61.630 62.300 -0.143 0.000 0.905 544 V CB 1.601 33.346 31.823 -0.129 0.000 0.997 544 V HN 0.955 nan 8.190 nan 0.000 0.436 545 A N 5.905 128.476 122.820 -0.415 0.000 2.305 545 A HA 0.916 5.236 4.320 0.001 0.000 0.322 545 A C -0.521 176.766 177.584 -0.495 0.000 1.187 545 A CA -0.539 51.154 52.037 -0.573 0.000 0.825 545 A CB 0.773 19.096 19.000 -1.129 0.000 1.164 545 A HN 0.822 nan 8.150 nan 0.000 0.498 546 M N 2.735 122.143 119.600 -0.321 0.000 2.093 546 M HA 0.287 4.767 4.480 0.001 0.000 0.297 546 M C -1.634 174.602 176.300 -0.107 0.000 0.938 546 M CA -0.533 54.652 55.300 -0.192 0.000 0.920 546 M CB 1.893 34.386 32.600 -0.178 0.000 1.517 546 M HN 0.534 nan 8.290 nan 0.000 0.427 547 D N 5.090 125.478 120.400 -0.020 0.000 2.349 547 D HA 0.419 5.060 4.640 0.001 0.000 0.232 547 D C -2.487 173.833 176.300 0.033 0.000 1.071 547 D CA -1.414 52.600 54.000 0.024 0.000 0.832 547 D CB 1.364 42.228 40.800 0.107 0.000 1.086 547 D HN 0.140 nan 8.370 nan 0.000 0.504 548 P HA 0.107 nan 4.420 nan 0.000 0.271 548 P C -0.553 176.764 177.300 0.028 0.000 1.216 548 P CA -0.358 62.759 63.100 0.029 0.000 0.771 548 P CB 0.902 32.618 31.700 0.027 0.000 0.864 549 V N 0.714 120.646 119.914 0.030 0.000 3.078 549 V HA 0.529 4.650 4.120 0.001 0.000 0.311 549 V C -0.542 175.565 176.094 0.021 0.000 1.138 549 V CA -1.114 61.201 62.300 0.025 0.000 1.007 549 V CB 2.155 33.996 31.823 0.029 0.000 1.045 549 V HN 0.092 nan 8.190 nan 0.000 0.432 550 V N 2.478 122.402 119.914 0.016 0.000 2.348 550 V HA 0.454 4.575 4.120 0.001 0.000 0.270 550 V C 0.226 176.327 176.094 0.013 0.000 1.037 550 V CA -0.221 62.087 62.300 0.014 0.000 0.872 550 V CB 0.706 32.535 31.823 0.011 0.000 1.002 550 V HN 0.933 nan 8.190 nan 0.000 0.464 551 K N 6.403 126.811 120.400 0.014 0.000 2.208 551 K HA 0.560 4.880 4.320 0.001 0.000 0.247 551 K C -2.644 173.962 176.600 0.010 0.000 0.953 551 K CA -1.931 54.363 56.287 0.012 0.000 0.837 551 K CB 1.859 34.367 32.500 0.014 0.000 1.131 551 K HN 0.326 nan 8.250 nan 0.000 0.431 552 P HA -0.058 nan 4.420 nan 0.000 0.271 552 P C -1.017 176.287 177.300 0.007 0.000 1.218 552 P CA -0.080 63.024 63.100 0.007 0.000 0.780 552 P CB 0.343 32.046 31.700 0.005 0.000 0.901 553 N N 1.417 120.121 118.700 0.007 0.000 2.438 553 N HA 0.081 4.822 4.740 0.001 0.000 0.267 553 N C -0.059 175.454 175.510 0.006 0.000 1.222 553 N CA -0.022 53.032 53.050 0.006 0.000 0.930 553 N CB 0.144 38.634 38.487 0.006 0.000 1.083 553 N HN 0.361 nan 8.380 nan 0.000 0.476 554 T N 0.901 115.458 114.554 0.006 0.000 3.483 554 T HA 0.507 4.857 4.350 0.001 0.000 0.258 554 T C 0.098 174.801 174.700 0.005 0.000 1.013 554 T CA -0.594 61.509 62.100 0.005 0.000 1.078 554 T CB 0.546 69.418 68.868 0.005 0.000 1.111 554 T HN 0.415 nan 8.240 nan 0.000 0.538 555 A N 0.175 122.998 122.820 0.005 0.000 2.538 555 A HA 0.807 5.128 4.320 0.001 0.000 0.276 555 A C 1.169 178.755 177.584 0.004 0.000 0.908 555 A CA 0.054 52.094 52.037 0.004 0.000 1.042 555 A CB -0.322 18.681 19.000 0.005 0.000 1.218 555 A HN 1.638 nan 8.150 nan 0.000 0.517 556 G N -0.528 108.274 108.800 0.003 0.000 2.801 556 G HA2 0.433 4.394 3.960 0.001 0.000 0.244 556 G HA3 0.433 4.394 3.960 0.001 0.000 0.244 556 G C 1.135 176.037 174.900 0.003 0.000 1.385 556 G CA 0.400 45.502 45.100 0.003 0.000 0.894 556 G HN 2.641 nan 8.290 nan 0.000 0.562 557 G N -2.278 106.523 108.800 0.003 0.000 2.756 557 G HA2 0.265 4.226 3.960 0.001 0.000 0.678 557 G HA3 0.265 4.226 3.960 0.001 0.000 0.678 557 G C -0.977 173.925 174.900 0.003 0.000 1.349 557 G CA 0.483 45.585 45.100 0.002 0.000 0.847 557 G HN 1.319 nan 8.290 nan 0.000 0.548 558 P HA 0.122 nan 4.420 nan 0.000 0.233 558 P C 0.936 178.238 177.300 0.003 0.000 1.167 558 P CA 0.369 63.471 63.100 0.003 0.000 0.770 558 P CB 0.174 31.876 31.700 0.003 0.000 0.837 559 R N 0.140 120.642 120.500 0.004 0.000 2.543 559 R HA 0.125 4.466 4.340 0.001 0.000 0.277 559 R C 1.485 177.788 176.300 0.004 0.000 1.074 559 R CA 0.655 56.757 56.100 0.004 0.000 1.076 559 R CB 0.179 30.482 30.300 0.005 0.000 0.993 559 R HN 0.158 nan 8.270 nan 0.000 0.459 560 T N -2.575 111.982 114.554 0.005 0.000 3.044 560 T HA 0.031 4.382 4.350 0.001 0.000 0.255 560 T C 0.809 175.512 174.700 0.005 0.000 1.073 560 T CA 0.313 62.416 62.100 0.005 0.000 1.125 560 T CB 0.196 69.067 68.868 0.004 0.000 0.908 560 T HN 0.523 nan 8.240 nan 0.000 0.480 561 S N 0.954 116.658 115.700 0.006 0.000 2.632 561 S HA 0.723 5.193 4.470 0.001 0.000 0.289 561 S C -0.537 174.069 174.600 0.009 0.000 1.115 561 S CA -0.577 57.627 58.200 0.008 0.000 0.889 561 S CB 1.994 65.198 63.200 0.008 0.000 1.116 561 S HN 0.656 nan 8.310 nan 0.000 0.486 562 T N -1.437 113.124 114.554 0.011 0.000 2.906 562 T HA 0.672 5.023 4.350 0.001 0.000 0.295 562 T C -0.567 174.143 174.700 0.015 0.000 1.075 562 T CA -0.995 61.112 62.100 0.012 0.000 1.005 562 T CB 1.134 70.009 68.868 0.012 0.000 1.136 562 T HN 0.659 nan 8.240 nan 0.000 0.498 563 M N 2.479 122.090 119.600 0.018 0.000 2.063 563 M HA 0.374 4.855 4.480 0.001 0.000 0.348 563 M C -0.125 176.191 176.300 0.026 0.000 1.180 563 M CA -0.424 54.889 55.300 0.022 0.000 1.059 563 M CB 0.924 33.537 32.600 0.023 0.000 1.544 563 M HN 0.605 nan 8.290 nan 0.000 0.447 564 Q N 1.529 121.346 119.800 0.029 0.000 2.572 564 Q HA 0.801 5.141 4.340 0.001 0.000 0.284 564 Q C -1.115 174.909 176.000 0.041 0.000 1.091 564 Q CA -1.189 54.634 55.803 0.034 0.000 0.840 564 Q CB 2.999 31.755 28.738 0.031 0.000 1.433 564 Q HN 0.457 nan 8.270 nan 0.000 0.471 565 V N 1.612 121.555 119.914 0.048 0.000 2.487 565 V HA 0.232 4.353 4.120 0.001 0.000 0.298 565 V C -0.824 175.308 176.094 0.063 0.000 1.028 565 V CA -0.843 61.488 62.300 0.053 0.000 0.860 565 V CB 1.708 33.564 31.823 0.055 0.000 0.991 565 V HN 0.632 nan 8.190 nan 0.000 0.427 566 N N 4.163 122.914 118.700 0.085 0.000 2.415 566 N HA 0.157 4.897 4.740 0.001 0.000 0.246 566 N C -0.384 175.230 175.510 0.172 0.000 1.078 566 N CA 0.095 53.229 53.050 0.139 0.000 0.942 566 N CB 0.756 39.341 38.487 0.163 0.000 1.140 566 N HN 0.792 nan 8.380 nan 0.000 0.501 567 Q N 3.603 123.483 119.800 0.133 0.000 2.290 567 Q HA 0.350 4.691 4.340 0.001 0.000 0.259 567 Q C -1.470 174.629 176.000 0.165 0.000 0.941 567 Q CA -0.735 55.099 55.803 0.052 0.000 0.912 567 Q CB 0.656 29.404 28.738 0.017 0.000 1.244 567 Q HN 0.675 nan 8.270 nan 0.000 0.441 568 Y N 0.565 120.863 120.300 -0.004 0.000 2.581 568 Y HA 0.529 5.079 4.550 0.001 0.000 0.337 568 Y C -1.333 174.568 175.900 0.002 0.000 1.108 568 Y CA -1.536 56.565 58.100 0.002 0.000 1.033 568 Y CB 0.760 39.222 38.460 0.003 0.000 1.318 568 Y HN 0.488 nan 8.280 nan 0.000 0.459 569 N N 1.183 119.961 118.700 0.130 0.000 2.513 569 N HA 0.524 5.265 4.740 0.001 0.000 0.274 569 N C -1.216 174.370 175.510 0.127 0.000 1.189 569 N CA -0.381 52.706 53.050 0.061 0.000 0.975 569 N CB 0.968 39.491 38.487 0.061 0.000 1.157 569 N HN 0.693 nan 8.380 nan 0.000 0.465 570 I N 0.462 121.075 120.570 0.071 0.000 2.354 570 I HA 0.301 4.471 4.170 0.001 0.000 0.286 570 I C 1.081 177.246 176.117 0.081 0.000 1.007 570 I CA -0.375 60.984 61.300 0.098 0.000 1.167 570 I CB 1.633 39.678 38.000 0.075 0.000 1.320 570 I HN 0.683 nan 8.210 nan 0.000 0.458 571 G N 5.734 114.584 108.800 0.084 0.000 3.088 571 G HA2 0.075 4.035 3.960 0.001 0.000 0.217 571 G HA3 0.075 4.035 3.960 0.001 0.000 0.217 571 G C 0.282 175.226 174.900 0.073 0.000 1.159 571 G CA -0.084 45.059 45.100 0.072 0.000 0.760 571 G HN 0.665 nan 8.290 nan 0.000 0.550 572 N N -1.073 117.673 118.700 0.078 0.000 2.732 572 N HA 0.160 4.901 4.740 0.001 0.000 0.259 572 N C 0.020 175.586 175.510 0.094 0.000 1.402 572 N CA -0.572 52.528 53.050 0.083 0.000 0.829 572 N CB 1.199 39.730 38.487 0.073 0.000 1.495 572 N HN -0.068 nan 8.380 nan 0.000 0.511 573 E N -0.063 120.202 120.200 0.109 0.000 2.110 573 E HA -0.230 4.121 4.350 0.001 0.000 0.193 573 E C 1.164 177.826 176.600 0.103 0.000 0.988 573 E CA 1.489 57.968 56.400 0.133 0.000 0.804 573 E CB 0.055 29.850 29.700 0.159 0.000 0.745 573 E HN 0.508 nan 8.360 nan 0.000 0.458 574 Q N 0.813 120.659 119.800 0.076 0.000 2.079 574 Q HA -0.144 4.197 4.340 0.001 0.000 0.200 574 Q C 1.370 177.374 176.000 0.008 0.000 0.974 574 Q CA 1.442 57.270 55.803 0.042 0.000 0.840 574 Q CB 0.165 28.930 28.738 0.044 0.000 0.898 574 Q HN 0.179 nan 8.270 nan 0.000 0.430 575 D N -0.843 119.575 120.400 0.029 0.000 2.194 575 D HA 0.010 4.651 4.640 0.001 0.000 0.204 575 D C 1.340 177.653 176.300 0.022 0.000 0.964 575 D CA 1.050 55.067 54.000 0.028 0.000 0.846 575 D CB -0.172 40.663 40.800 0.058 0.000 0.962 575 D HN 0.325 nan 8.370 nan 0.000 0.490 576 A N 0.667 123.512 122.820 0.042 0.000 2.121 576 A HA 0.166 4.486 4.320 0.001 0.000 0.218 576 A C 1.366 178.937 177.584 -0.021 0.000 1.154 576 A CA 0.843 52.912 52.037 0.053 0.000 0.679 576 A CB -0.243 18.825 19.000 0.113 0.000 0.795 576 A HN 0.167 nan 8.150 nan 0.000 0.458 577 A N 0.710 123.449 122.820 -0.135 0.000 2.316 577 A HA 0.553 4.874 4.320 0.001 0.000 0.311 577 A C 0.021 177.337 177.584 -0.447 0.000 1.339 577 A CA -0.350 51.391 52.037 -0.493 0.000 0.960 577 A CB -0.271 18.323 19.000 -0.677 0.000 1.152 577 A HN 0.673 nan 8.150 nan 0.000 0.547 578 Q N 1.706 121.266 119.800 -0.399 0.000 2.590 578 Q HA 0.558 4.898 4.340 0.001 0.000 0.295 578 Q C -1.228 174.716 176.000 -0.094 0.000 0.973 578 Q CA -1.349 54.346 55.803 -0.181 0.000 0.768 578 Q CB 1.058 29.767 28.738 -0.047 0.000 1.479 578 Q HN 0.299 nan 8.270 nan 0.000 0.419 579 K N 0.686 121.077 120.400 -0.015 0.000 2.202 579 K HA 0.340 4.660 4.320 0.001 0.000 0.264 579 K C -1.108 175.582 176.600 0.149 0.000 1.010 579 K CA -0.273 56.050 56.287 0.060 0.000 0.940 579 K CB 0.510 33.030 32.500 0.033 0.000 0.983 579 K HN 0.620 nan 8.250 nan 0.000 0.475 580 F N 2.508 122.479 119.950 0.035 0.000 2.361 580 F HA 0.122 4.650 4.527 0.001 0.000 0.364 580 F C -0.219 175.621 175.800 0.067 0.000 1.117 580 F CA -1.534 56.502 58.000 0.061 0.000 1.071 580 F CB 0.709 39.772 39.000 0.106 0.000 1.188 580 F HN 0.397 nan 8.300 nan 0.000 0.464 581 D N 8.817 128.940 120.400 -0.462 0.000 2.313 581 D HA 0.295 4.936 4.640 0.001 0.000 0.239 581 D C -1.940 173.802 176.300 -0.929 0.000 1.142 581 D CA -2.681 51.032 54.000 -0.478 0.000 0.847 581 D CB 1.679 42.341 40.800 -0.229 0.000 1.082 581 D HN 0.267 nan 8.370 nan 0.000 0.480 582 P HA 0.025 nan 4.420 nan 0.000 0.234 582 P C 1.160 178.324 177.300 -0.228 0.000 1.167 582 P CA 0.431 63.242 63.100 -0.482 0.000 0.763 582 P CB 0.181 31.928 31.700 0.078 0.000 0.835 583 G N -0.324 108.351 108.800 -0.208 0.000 2.744 583 G HA2 -0.022 3.939 3.960 0.001 0.000 0.211 583 G HA3 -0.022 3.939 3.960 0.001 0.000 0.211 583 G C 0.707 175.545 174.900 -0.102 0.000 1.143 583 G CA 0.648 45.688 45.100 -0.101 0.000 0.788 583 G HN 0.441 nan 8.290 nan 0.000 0.534 584 T N -1.934 112.505 114.554 -0.192 0.000 2.938 584 T HA 0.725 5.075 4.350 0.001 0.000 0.285 584 T C -0.522 174.137 174.700 -0.068 0.000 1.028 584 T CA -0.880 61.145 62.100 -0.124 0.000 1.005 584 T CB 2.248 71.036 68.868 -0.133 0.000 1.157 584 T HN -0.085 nan 8.240 nan 0.000 0.550 585 I N 0.994 121.521 120.570 -0.073 0.000 2.465 585 I HA 0.516 4.686 4.170 0.001 0.000 0.291 585 I C -0.191 175.853 176.117 -0.122 0.000 1.014 585 I CA -1.049 60.185 61.300 -0.110 0.000 1.093 585 I CB 1.884 39.698 38.000 -0.310 0.000 1.267 585 I HN 0.424 nan 8.210 nan 0.000 0.431 586 R N 7.112 127.587 120.500 -0.041 0.000 2.439 586 R HA 0.672 5.012 4.340 0.001 0.000 0.310 586 R C -1.370 174.855 176.300 -0.125 0.000 0.955 586 R CA -0.728 55.338 56.100 -0.056 0.000 0.853 586 R CB 1.822 32.172 30.300 0.084 0.000 1.171 586 R HN 0.554 nan 8.270 nan 0.000 0.449 587 L N 3.620 124.742 121.223 -0.168 0.000 2.356 587 L HA 0.460 4.801 4.340 0.001 0.000 0.277 587 L C -0.428 176.413 176.870 -0.048 0.000 0.996 587 L CA -1.201 53.545 54.840 -0.156 0.000 0.822 587 L CB 2.037 43.917 42.059 -0.298 0.000 1.256 587 L HN 0.246 nan 8.230 nan 0.000 0.413 588 L N 2.931 124.170 121.223 0.027 0.000 2.295 588 L HA 0.377 4.718 4.340 0.001 0.000 0.288 588 L C -0.021 176.904 176.870 0.091 0.000 1.079 588 L CA 0.641 55.519 54.840 0.063 0.000 0.830 588 L CB 0.822 42.934 42.059 0.088 0.000 1.200 588 L HN 0.561 nan 8.230 nan 0.000 0.438 589 S N 3.504 119.240 115.700 0.061 0.000 2.681 589 S HA 0.454 4.925 4.470 0.001 0.000 0.299 589 S C -0.391 174.249 174.600 0.066 0.000 1.113 589 S CA -0.766 57.479 58.200 0.075 0.000 1.013 589 S CB 1.299 64.523 63.200 0.040 0.000 1.076 589 S HN 0.633 nan 8.310 nan 0.000 0.534 590 N N 2.178 120.913 118.700 0.059 0.000 2.485 590 N HA 0.298 5.039 4.740 0.001 0.000 0.243 590 N C -2.189 173.325 175.510 0.006 0.000 0.987 590 N CA -2.135 50.930 53.050 0.025 0.000 0.940 590 N CB 1.301 39.792 38.487 0.006 0.000 1.122 590 N HN 0.173 nan 8.380 nan 0.000 0.509 591 P HA 0.045 nan 4.420 nan 0.000 0.234 591 P C -0.139 177.157 177.300 -0.007 0.000 1.167 591 P CA 0.814 63.916 63.100 0.004 0.000 0.763 591 P CB 0.270 31.976 31.700 0.010 0.000 0.835 592 N N -0.614 118.076 118.700 -0.017 0.000 2.336 592 N HA 0.063 4.803 4.740 0.001 0.000 0.189 592 N C 0.112 175.597 175.510 -0.041 0.000 1.113 592 N CA 0.337 53.371 53.050 -0.026 0.000 0.858 592 N CB 0.142 38.611 38.487 -0.030 0.000 0.970 592 N HN 0.091 nan 8.380 nan 0.000 0.471 593 K N 0.795 121.165 120.400 -0.051 0.000 2.565 593 K HA 0.260 4.580 4.320 0.001 0.000 0.249 593 K C -1.119 175.429 176.600 -0.087 0.000 0.958 593 K CA -0.465 55.773 56.287 -0.081 0.000 0.806 593 K CB 2.018 34.449 32.500 -0.114 0.000 1.194 593 K HN 0.099 nan 8.250 nan 0.000 0.434 594 E N 1.699 121.849 120.200 -0.083 0.000 2.263 594 E HA 0.206 4.557 4.350 0.001 0.000 0.264 594 E C -0.643 175.898 176.600 -0.099 0.000 0.923 594 E CA -1.033 55.323 56.400 -0.074 0.000 0.802 594 E CB 1.844 31.518 29.700 -0.043 0.000 1.228 594 E HN 0.639 nan 8.360 nan 0.000 0.417 595 N N 0.288 118.933 118.700 -0.092 0.000 2.366 595 N HA 0.096 4.837 4.740 0.001 0.000 0.277 595 N C 0.891 176.365 175.510 -0.060 0.000 1.275 595 N CA -0.777 52.216 53.050 -0.095 0.000 0.964 595 N CB 1.088 39.518 38.487 -0.094 0.000 1.167 595 N HN 0.388 nan 8.380 nan 0.000 0.568 596 R N -0.915 119.555 120.500 -0.049 0.000 2.200 596 R HA -0.085 4.255 4.340 0.001 0.000 0.234 596 R C 0.879 177.160 176.300 -0.032 0.000 1.127 596 R CA 1.510 57.588 56.100 -0.037 0.000 0.989 596 R CB -0.153 30.130 30.300 -0.030 0.000 0.869 596 R HN 0.636 nan 8.270 nan 0.000 0.459 597 M N -1.002 118.579 119.600 -0.032 0.000 2.431 597 M HA 0.260 4.740 4.480 0.001 0.000 0.237 597 M C 0.763 177.052 176.300 -0.018 0.000 1.130 597 M CA 0.644 55.928 55.300 -0.025 0.000 1.002 597 M CB 1.371 33.954 32.600 -0.029 0.000 1.524 597 M HN 0.317 nan 8.290 nan 0.000 0.482 598 G N 0.709 109.496 108.800 -0.021 0.000 2.143 598 G HA2 -0.286 3.675 3.960 0.001 0.000 0.248 598 G HA3 -0.286 3.675 3.960 0.001 0.000 0.248 598 G C -0.101 174.796 174.900 -0.004 0.000 0.991 598 G CA -0.026 45.066 45.100 -0.015 0.000 0.689 598 G HN 0.519 nan 8.290 nan 0.000 0.522 599 N N 1.142 119.841 118.700 -0.002 0.000 2.498 599 N HA 0.527 5.268 4.740 0.001 0.000 0.287 599 N C -2.634 172.887 175.510 0.019 0.000 1.097 599 N CA -1.624 51.441 53.050 0.025 0.000 0.973 599 N CB 1.388 39.904 38.487 0.047 0.000 1.153 599 N HN -0.004 nan 8.380 nan 0.000 0.472 600 P HA -0.034 nan 4.420 nan 0.000 0.267 600 P C -0.562 176.760 177.300 0.038 0.000 1.209 600 P CA -0.350 62.764 63.100 0.024 0.000 0.763 600 P CB 0.437 32.158 31.700 0.035 0.000 0.816 601 V N 2.033 121.928 119.914 -0.031 0.000 2.540 601 V HA 0.382 4.503 4.120 0.001 0.000 0.297 601 V C 0.082 176.256 176.094 0.133 0.000 1.024 601 V CA 0.270 62.534 62.300 -0.060 0.000 1.105 601 V CB -0.642 30.962 31.823 -0.366 0.000 0.938 601 V HN 0.652 nan 8.190 nan 0.000 0.482 602 S N 3.506 119.371 115.700 0.274 0.000 2.705 602 S HA 0.771 5.242 4.470 0.001 0.000 0.280 602 S C -1.355 173.426 174.600 0.302 0.000 1.174 602 S CA -0.831 57.566 58.200 0.329 0.000 0.823 602 S CB 1.432 64.747 63.200 0.191 0.000 1.162 602 S HN 0.698 nan 8.310 nan 0.000 0.487 603 Y N 1.134 121.521 120.300 0.144 0.000 2.350 603 Y HA 0.500 5.051 4.550 0.001 0.000 0.338 603 Y C 0.059 175.987 175.900 0.045 0.000 0.961 603 Y CA -0.449 57.697 58.100 0.075 0.000 1.100 603 Y CB 1.969 40.426 38.460 -0.004 0.000 1.179 603 Y HN 0.805 nan 8.280 nan 0.000 0.454 604 Q N 4.691 124.559 119.800 0.114 0.000 2.279 604 Q HA 0.486 4.827 4.340 0.001 0.000 0.256 604 Q C -1.314 174.722 176.000 0.060 0.000 0.937 604 Q CA -0.336 55.490 55.803 0.038 0.000 0.933 604 Q CB 0.618 29.425 28.738 0.115 0.000 1.189 604 Q HN 0.698 nan 8.270 nan 0.000 0.417 605 I N 5.922 126.497 120.570 0.007 0.000 2.312 605 I HA 0.299 4.469 4.170 0.001 0.000 0.290 605 I C -0.462 175.556 176.117 -0.165 0.000 1.008 605 I CA -0.569 60.707 61.300 -0.040 0.000 1.226 605 I CB 0.877 38.859 38.000 -0.030 0.000 1.371 605 I HN 0.605 nan 8.210 nan 0.000 0.468 606 I N 8.485 128.930 120.570 -0.208 0.000 2.537 606 I HA 0.264 4.435 4.170 0.001 0.000 0.276 606 I C -1.921 173.964 176.117 -0.387 0.000 1.063 606 I CA -1.395 59.684 61.300 -0.369 0.000 1.144 606 I CB 1.528 39.490 38.000 -0.062 0.000 1.252 606 I HN 0.320 nan 8.210 nan 0.000 0.480 607 P HA -0.116 nan 4.420 nan 0.000 0.225 607 P C -0.341 177.002 177.300 0.071 0.000 1.156 607 P CA 1.012 63.989 63.100 -0.204 0.000 0.787 607 P CB 0.054 31.648 31.700 -0.178 0.000 0.802 608 Y N 0.105 120.375 120.300 -0.051 0.000 2.447 608 Y HA 0.614 5.165 4.550 0.001 0.000 0.325 608 Y C 0.252 176.279 175.900 0.213 0.000 0.976 608 Y CA -1.709 56.503 58.100 0.186 0.000 1.280 608 Y CB 0.572 39.241 38.460 0.348 0.000 1.104 608 Y HN -0.175 nan 8.280 nan 0.000 0.486 609 A N 3.718 126.376 122.820 -0.270 0.000 2.465 609 A HA 0.676 4.997 4.320 0.001 0.000 0.255 609 A C 0.867 178.211 177.584 -0.399 0.000 1.274 609 A CA 0.321 52.193 52.037 -0.274 0.000 0.920 609 A CB -0.701 18.246 19.000 -0.089 0.000 1.033 609 A HN 1.500 nan 8.150 nan 0.000 0.516 610 G N -2.393 105.843 108.800 -0.940 0.000 2.497 610 G HA2 0.505 4.466 3.960 0.001 0.000 0.686 610 G HA3 0.505 4.466 3.960 0.001 0.000 0.686 610 G C -0.165 174.735 174.900 -0.001 0.000 1.288 610 G CA -0.397 44.410 45.100 -0.489 0.000 0.899 610 G HN 1.847 nan 8.290 nan 0.000 0.608 611 G N -2.275 106.615 108.800 0.150 0.000 2.495 611 G HA2 0.792 4.753 3.960 0.001 0.000 0.294 611 G HA3 0.792 4.753 3.960 0.001 0.000 0.294 611 G C 0.563 175.523 174.900 0.100 0.000 1.397 611 G CA 0.981 46.119 45.100 0.063 0.000 0.790 611 G HN 2.030 nan 8.290 nan 0.000 0.486 612 T N -2.832 111.737 114.554 0.024 0.000 3.040 612 T HA 0.310 4.661 4.350 0.001 0.000 0.250 612 T C 0.495 175.178 174.700 -0.027 0.000 1.058 612 T CA 0.426 62.523 62.100 -0.005 0.000 0.988 612 T CB -0.033 68.801 68.868 -0.057 0.000 0.993 612 T HN 0.403 nan 8.240 nan 0.000 0.519 613 H N 1.813 120.888 119.070 0.009 0.000 2.615 613 H HA 0.582 5.139 4.556 0.001 0.000 0.346 613 H C -2.496 172.856 175.328 0.039 0.000 1.200 613 H CA -2.365 53.677 56.048 -0.010 0.000 1.264 613 H CB 1.194 30.914 29.762 -0.070 0.000 1.699 613 H HN 0.096 nan 8.280 nan 0.000 0.567 614 P HA 0.012 nan 4.420 nan 0.000 0.269 614 P C -0.467 176.876 177.300 0.072 0.000 1.215 614 P CA -0.226 62.930 63.100 0.092 0.000 0.780 614 P CB 0.702 32.426 31.700 0.040 0.000 0.898 615 V N 1.891 121.818 119.914 0.023 0.000 2.481 615 V HA 0.562 4.683 4.120 0.001 0.000 0.286 615 V C -0.056 176.001 176.094 -0.062 0.000 1.042 615 V CA -0.797 61.472 62.300 -0.051 0.000 0.928 615 V CB 0.738 32.390 31.823 -0.284 0.000 0.986 615 V HN 0.741 nan 8.190 nan 0.000 0.462 616 A N 6.604 129.404 122.820 -0.033 0.000 2.454 616 A HA 0.345 4.666 4.320 0.001 0.000 0.260 616 A C 1.124 178.687 177.584 -0.035 0.000 1.106 616 A CA -0.218 51.807 52.037 -0.021 0.000 0.780 616 A CB 0.216 19.222 19.000 0.011 0.000 1.044 616 A HN 0.906 nan 8.150 nan 0.000 0.498 617 K N 1.714 122.098 120.400 -0.027 0.000 2.211 617 K HA 0.021 4.341 4.320 0.001 0.000 0.203 617 K C 1.017 177.631 176.600 0.024 0.000 1.050 617 K CA 1.292 57.569 56.287 -0.015 0.000 0.945 617 K CB 0.011 32.505 32.500 -0.010 0.000 0.732 617 K HN 0.955 nan 8.250 nan 0.000 0.451 618 G N -0.807 108.018 108.800 0.040 0.000 2.428 618 G HA2 0.437 4.397 3.960 0.001 0.000 0.305 618 G HA3 0.437 4.397 3.960 0.001 0.000 0.305 618 G C -1.710 173.247 174.900 0.096 0.000 1.260 618 G CA -0.314 44.833 45.100 0.078 0.000 0.853 618 G HN 0.121 nan 8.290 nan 0.000 0.480 619 A N -0.130 122.787 122.820 0.161 0.000 2.450 619 A HA 0.548 4.869 4.320 0.001 0.000 0.255 619 A C 0.406 178.137 177.584 0.245 0.000 1.096 619 A CA 0.015 52.202 52.037 0.250 0.000 0.778 619 A CB 0.318 19.524 19.000 0.344 0.000 1.031 619 A HN 0.384 nan 8.150 nan 0.000 0.494 620 Q N 1.987 121.857 119.800 0.116 0.000 3.170 620 Q HA 0.307 4.648 4.340 0.001 0.000 0.346 620 Q C -1.540 174.181 176.000 -0.465 0.000 1.333 620 Q CA 0.505 56.219 55.803 -0.147 0.000 0.958 620 Q CB -0.475 28.119 28.738 -0.239 0.000 1.600 620 Q HN 0.611 nan 8.270 nan 0.000 0.482 621 F N -0.689 119.307 119.950 0.076 0.000 2.601 621 F HA 0.523 5.051 4.527 0.001 0.000 0.309 621 F C 0.278 176.053 175.800 -0.041 0.000 1.089 621 F CA -1.277 56.764 58.000 0.068 0.000 0.940 621 F CB 1.065 40.159 39.000 0.158 0.000 1.273 621 F HN 0.057 nan 8.300 nan 0.000 0.450 622 A N 2.418 125.295 122.820 0.095 0.000 2.448 622 A HA 0.380 4.700 4.320 0.001 0.000 0.239 622 A C -1.839 175.559 177.584 -0.310 0.000 1.080 622 A CA -0.936 51.050 52.037 -0.085 0.000 0.779 622 A CB -0.190 18.782 19.000 -0.048 0.000 1.026 622 A HN 0.589 nan 8.150 nan 0.000 0.499 623 P HA -0.107 nan 4.420 nan 0.000 0.222 623 P C 0.549 177.595 177.300 -0.424 0.000 1.147 623 P CA 1.398 63.940 63.100 -0.930 0.000 0.790 623 P CB -0.019 31.356 31.700 -0.543 0.000 0.780 624 D N -1.041 119.207 120.400 -0.254 0.000 2.363 624 D HA -0.094 4.547 4.640 0.001 0.000 0.220 624 D C 0.313 176.496 176.300 -0.195 0.000 0.994 624 D CA 0.455 54.329 54.000 -0.211 0.000 0.890 624 D CB -0.676 40.031 40.800 -0.155 0.000 0.906 624 D HN 0.126 nan 8.370 nan 0.000 0.530 625 E N 0.045 120.212 120.200 -0.054 0.000 2.344 625 E HA -0.026 4.324 4.350 0.001 0.000 0.270 625 E C 0.360 176.978 176.600 0.031 0.000 1.021 625 E CA -0.330 56.115 56.400 0.076 0.000 0.887 625 E CB 0.587 30.438 29.700 0.252 0.000 0.997 625 E HN 0.314 nan 8.360 nan 0.000 0.429 626 W N 2.505 123.870 121.300 0.109 0.000 2.318 626 W HA -0.209 4.452 4.660 0.002 0.000 0.313 626 W C 2.188 178.698 176.519 -0.016 0.000 1.221 626 W CA 0.423 57.786 57.345 0.031 0.000 1.266 626 W CB -0.215 29.128 29.460 -0.196 0.000 1.150 626 W HN 0.604 nan 8.180 nan 0.000 0.496 627 I N -0.673 119.950 120.570 0.089 0.000 2.335 627 I HA -0.369 3.802 4.170 0.001 0.000 0.251 627 I C 2.371 178.394 176.117 -0.157 0.000 1.129 627 I CA 1.463 62.692 61.300 -0.118 0.000 1.402 627 I CB -0.317 37.480 38.000 -0.340 0.000 1.069 627 I HN 0.087 nan 8.210 nan 0.000 0.424 628 Y N 0.426 120.607 120.300 -0.198 0.000 2.200 628 Y HA -0.345 4.206 4.550 0.001 0.000 0.290 628 Y C 2.597 178.491 175.900 -0.010 0.000 1.137 628 Y CA 2.330 60.362 58.100 -0.112 0.000 1.163 628 Y CB -0.445 38.005 38.460 -0.017 0.000 0.988 628 Y HN 0.336 nan 8.280 nan 0.000 0.518 629 H N 0.539 119.652 119.070 0.071 0.000 2.395 629 H HA -0.019 4.537 4.556 0.001 0.000 0.299 629 H C 2.037 177.379 175.328 0.022 0.000 1.070 629 H CA 1.903 57.978 56.048 0.045 0.000 1.356 629 H CB -0.019 29.727 29.762 -0.026 0.000 1.401 629 H HN 0.391 nan 8.280 nan 0.000 0.524 630 R N 0.021 120.489 120.500 -0.054 0.000 2.161 630 R HA 0.106 4.446 4.340 0.001 0.000 0.213 630 R C 0.192 176.403 176.300 -0.149 0.000 1.055 630 R CA 0.654 56.679 56.100 -0.125 0.000 0.996 630 R CB 0.190 30.496 30.300 0.010 0.000 0.901 630 R HN 0.244 nan 8.270 nan 0.000 0.456 631 L N 2.184 123.306 121.223 -0.168 0.000 2.506 631 L HA 0.304 4.644 4.340 0.001 0.000 0.247 631 L C 0.458 177.152 176.870 -0.293 0.000 1.141 631 L CA -0.391 54.357 54.840 -0.154 0.000 0.973 631 L CB 1.695 43.631 42.059 -0.205 0.000 1.319 631 L HN 0.041 nan 8.230 nan 0.000 0.455 632 S N 1.033 116.623 115.700 -0.183 0.000 2.399 632 S HA -0.209 4.262 4.470 0.001 0.000 0.231 632 S C 1.733 176.392 174.600 0.097 0.000 1.022 632 S CA 1.347 59.498 58.200 -0.081 0.000 0.983 632 S CB -0.256 63.029 63.200 0.142 0.000 0.803 632 S HN 0.746 nan 8.310 nan 0.000 0.480 633 F N 1.250 121.081 119.950 -0.199 0.000 2.346 633 F HA -0.028 4.500 4.527 0.001 0.000 0.301 633 F C 1.817 177.688 175.800 0.119 0.000 1.070 633 F CA 0.804 58.687 58.000 -0.195 0.000 1.407 633 F CB -0.797 37.919 39.000 -0.474 0.000 1.072 633 F HN 0.090 nan 8.300 nan 0.000 0.543 634 M N 0.185 119.412 119.600 -0.622 0.000 2.319 634 M HA -0.101 4.379 4.480 0.001 0.000 0.265 634 M C 1.059 177.313 176.300 -0.077 0.000 1.068 634 M CA 1.515 56.531 55.300 -0.474 0.000 1.118 634 M CB -0.309 31.977 32.600 -0.522 0.000 1.395 634 M HN 0.098 nan 8.290 nan 0.000 0.435 635 D N 0.242 120.647 120.400 0.009 0.000 2.349 635 D HA 0.082 4.722 4.640 0.001 0.000 0.214 635 D C -0.232 176.131 176.300 0.105 0.000 1.063 635 D CA 0.475 54.524 54.000 0.081 0.000 0.847 635 D CB 0.577 41.426 40.800 0.083 0.000 0.933 635 D HN -0.008 nan 8.370 nan 0.000 0.513 636 K N 0.174 120.686 120.400 0.187 0.000 2.427 636 K HA 0.262 4.583 4.320 0.001 0.000 0.252 636 K C 0.063 176.813 176.600 0.250 0.000 0.931 636 K CA -0.478 55.844 56.287 0.060 0.000 0.793 636 K CB 2.073 34.315 32.500 -0.429 0.000 1.211 636 K HN -0.211 nan 8.250 nan 0.000 0.426 637 Q N 0.401 120.312 119.800 0.185 0.000 2.163 637 Q HA 0.068 4.409 4.340 0.001 0.000 0.198 637 Q C 0.149 176.329 176.000 0.300 0.000 0.954 637 Q CA 0.689 56.655 55.803 0.273 0.000 0.851 637 Q CB 0.202 29.103 28.738 0.271 0.000 0.928 637 Q HN 0.372 nan 8.270 nan 0.000 0.459 638 L N 0.263 121.598 121.223 0.187 0.000 2.322 638 L HA 0.527 4.868 4.340 0.001 0.000 0.281 638 L C -1.834 175.116 176.870 0.132 0.000 1.014 638 L CA -0.485 54.483 54.840 0.214 0.000 0.815 638 L CB 0.893 43.036 42.059 0.141 0.000 1.247 638 L HN 0.019 nan 8.230 nan 0.000 0.421 639 W N 4.167 125.597 121.300 0.217 0.000 2.864 639 W HA 0.793 5.454 4.660 0.001 0.000 0.343 639 W C -1.167 175.541 176.519 0.315 0.000 1.109 639 W CA -0.908 56.561 57.345 0.207 0.000 1.192 639 W CB 1.911 31.438 29.460 0.113 0.000 1.426 639 W HN 0.258 nan 8.180 nan 0.000 0.529 640 V N 2.095 122.301 119.914 0.486 0.000 2.668 640 V HA 0.698 4.819 4.120 0.001 0.000 0.304 640 V C -0.332 175.991 176.094 0.382 0.000 1.071 640 V CA -0.868 61.688 62.300 0.427 0.000 0.894 640 V CB 1.662 33.640 31.823 0.258 0.000 1.008 640 V HN 0.590 nan 8.190 nan 0.000 0.425 641 T N 1.473 116.291 114.554 0.439 0.000 2.907 641 T HA 0.734 5.085 4.350 0.001 0.000 0.292 641 T C -0.412 174.436 174.700 0.246 0.000 1.043 641 T CA -0.932 61.373 62.100 0.342 0.000 1.003 641 T CB 1.953 71.058 68.868 0.395 0.000 1.084 641 T HN 0.534 nan 8.240 nan 0.000 0.483 642 R N 0.867 121.456 120.500 0.149 0.000 2.623 642 R HA 0.232 4.573 4.340 0.001 0.000 0.271 642 R C -0.658 175.541 176.300 -0.167 0.000 1.043 642 R CA -0.408 55.693 56.100 0.002 0.000 1.083 642 R CB -0.125 30.165 30.300 -0.017 0.000 0.974 642 R HN 0.744 nan 8.270 nan 0.000 0.436 643 Y N 4.731 124.851 120.300 -0.300 0.000 2.526 643 Y HA 0.106 4.657 4.550 0.001 0.000 0.330 643 Y C -0.755 174.746 175.900 -0.665 0.000 1.156 643 Y CA 0.508 58.422 58.100 -0.310 0.000 1.419 643 Y CB 0.400 38.759 38.460 -0.169 0.000 1.250 643 Y HN 0.544 nan 8.280 nan 0.000 0.540 644 H N 6.683 125.294 119.070 -0.765 0.000 2.947 644 H HA 0.194 4.751 4.556 0.001 0.000 0.354 644 H C -2.034 172.780 175.328 -0.857 0.000 1.085 644 H CA -2.037 53.561 56.048 -0.749 0.000 1.253 644 H CB 1.790 31.341 29.762 -0.352 0.000 1.757 644 H HN 0.441 nan 8.280 nan 0.000 0.523 645 P HA -0.161 nan 4.420 nan 0.000 0.217 645 P C 1.490 178.647 177.300 -0.239 0.000 1.151 645 P CA 1.937 64.827 63.100 -0.349 0.000 0.849 645 P CB 0.151 31.765 31.700 -0.143 0.000 0.787 646 G N -1.052 107.620 108.800 -0.212 0.000 2.603 646 G HA2 -0.074 3.887 3.960 0.001 0.000 0.214 646 G HA3 -0.074 3.887 3.960 0.001 0.000 0.214 646 G C 0.287 175.030 174.900 -0.263 0.000 1.140 646 G CA -0.070 44.924 45.100 -0.176 0.000 0.800 646 G HN 0.299 nan 8.290 nan 0.000 0.533 647 E N 0.620 120.579 120.200 -0.402 0.000 2.070 647 E HA 0.345 4.695 4.350 0.001 0.000 0.282 647 E C 0.458 176.803 176.600 -0.425 0.000 1.104 647 E CA -0.108 55.831 56.400 -0.769 0.000 0.876 647 E CB 0.775 29.680 29.700 -1.326 0.000 1.055 647 E HN 0.276 nan 8.360 nan 0.000 0.401 648 R N 1.974 122.270 120.500 -0.339 0.000 2.556 648 R HA 0.171 4.512 4.340 0.001 0.000 0.276 648 R C -0.413 175.668 176.300 -0.364 0.000 0.931 648 R CA -0.052 55.778 56.100 -0.450 0.000 1.061 648 R CB 0.726 30.455 30.300 -0.952 0.000 1.432 648 R HN 0.269 nan 8.270 nan 0.000 0.547 649 F N 2.101 122.281 119.950 0.385 0.000 2.507 649 F HA 0.377 4.905 4.527 0.001 0.000 0.325 649 F C -1.551 174.200 175.800 -0.081 0.000 1.116 649 F CA -3.016 55.069 58.000 0.141 0.000 0.930 649 F CB 1.417 40.392 39.000 -0.041 0.000 1.146 649 F HN -0.262 nan 8.300 nan 0.000 0.447 650 P HA -0.184 nan 4.420 nan 0.000 0.220 650 P C 0.739 177.550 177.300 -0.815 0.000 1.148 650 P CA 1.600 64.284 63.100 -0.694 0.000 0.803 650 P CB 0.253 31.374 31.700 -0.964 0.000 0.782 651 E N 0.255 120.079 120.200 -0.626 0.000 2.474 651 E HA 0.202 4.553 4.350 0.001 0.000 0.195 651 E C 0.787 177.251 176.600 -0.226 0.000 1.039 651 E CA 0.406 56.593 56.400 -0.356 0.000 0.881 651 E CB -0.398 29.164 29.700 -0.231 0.000 0.970 651 E HN 0.161 nan 8.360 nan 0.000 0.486 652 G N 1.992 110.677 108.800 -0.193 0.000 2.690 652 G HA2 -0.279 3.682 3.960 0.001 0.000 0.686 652 G HA3 -0.279 3.682 3.960 0.001 0.000 0.686 652 G C 0.076 174.937 174.900 -0.066 0.000 1.277 652 G CA -0.056 44.974 45.100 -0.117 0.000 0.799 652 G HN 0.168 nan 8.290 nan 0.000 0.613 653 K N -0.617 119.759 120.400 -0.040 0.000 2.097 653 K HA 0.050 4.371 4.320 0.001 0.000 0.205 653 K C 0.294 176.430 176.600 -0.773 0.000 1.050 653 K CA 1.351 57.436 56.287 -0.338 0.000 0.938 653 K CB -0.071 32.257 32.500 -0.285 0.000 0.718 653 K HN 0.517 nan 8.250 nan 0.000 0.442 654 Y N 0.498 120.754 120.300 -0.073 0.000 2.787 654 Y HA 0.275 4.826 4.550 0.001 0.000 0.352 654 Y C -2.059 173.792 175.900 -0.083 0.000 1.027 654 Y CA -2.319 55.732 58.100 -0.082 0.000 1.219 654 Y CB 1.527 39.959 38.460 -0.047 0.000 1.110 654 Y HN 0.109 nan 8.280 nan 0.000 0.614 655 P HA -0.074 nan 4.420 nan 0.000 0.245 655 P C -0.120 177.162 177.300 -0.030 0.000 1.206 655 P CA 0.417 63.493 63.100 -0.041 0.000 0.781 655 P CB 0.393 32.048 31.700 -0.074 0.000 0.994 656 N N 1.668 120.360 118.700 -0.014 0.000 2.431 656 N HA 0.007 4.748 4.740 0.001 0.000 0.265 656 N C 0.186 175.622 175.510 -0.124 0.000 1.184 656 N CA -0.310 52.698 53.050 -0.070 0.000 0.943 656 N CB -0.009 38.436 38.487 -0.069 0.000 1.080 656 N HN -0.135 nan 8.380 nan 0.000 0.477 657 R N 0.391 120.786 120.500 -0.175 0.000 3.863 657 R HA -0.192 4.149 4.340 0.001 0.000 0.313 657 R C -0.003 176.190 176.300 -0.178 0.000 1.202 657 R CA 0.686 56.656 56.100 -0.216 0.000 0.852 657 R CB -2.715 27.302 30.300 -0.472 0.000 1.292 657 R HN 0.720 nan 8.270 nan 0.000 0.519 658 S N -0.123 115.515 115.700 -0.103 0.000 2.558 658 S HA 0.056 4.527 4.470 0.001 0.000 0.287 658 S C 1.513 175.985 174.600 -0.214 0.000 1.321 658 S CA 0.375 58.519 58.200 -0.094 0.000 1.048 658 S CB 1.401 64.565 63.200 -0.061 0.000 0.844 658 S HN 0.370 nan 8.310 nan 0.000 0.512 659 T N -2.500 111.950 114.554 -0.173 0.000 3.001 659 T HA 0.201 4.552 4.350 0.001 0.000 0.251 659 T C 0.418 175.259 174.700 0.236 0.000 1.040 659 T CA 0.372 62.285 62.100 -0.310 0.000 0.985 659 T CB -0.453 68.141 68.868 -0.457 0.000 1.011 659 T HN 1.024 nan 8.240 nan 0.000 0.509 660 H N -1.201 117.858 119.070 -0.018 0.000 3.037 660 H HA 0.461 5.018 4.556 0.001 0.000 0.355 660 H C -1.916 173.332 175.328 -0.133 0.000 1.263 660 H CA -1.251 54.765 56.048 -0.053 0.000 1.129 660 H CB 0.589 30.359 29.762 0.013 0.000 1.861 660 H HN -0.042 nan 8.280 nan 0.000 0.546 661 D N 1.234 121.444 120.400 -0.316 0.000 2.451 661 D HA 0.001 4.642 4.640 0.001 0.000 0.254 661 D C 0.768 176.778 176.300 -0.483 0.000 1.204 661 D CA 0.915 54.703 54.000 -0.354 0.000 0.896 661 D CB 0.745 41.371 40.800 -0.289 0.000 1.136 661 D HN 0.678 nan 8.370 nan 0.000 0.499 662 T N 0.234 114.510 114.554 -0.463 0.000 3.040 662 T HA 0.334 4.684 4.350 0.001 0.000 0.266 662 T C 0.988 175.408 174.700 -0.466 0.000 1.005 662 T CA -0.013 61.833 62.100 -0.423 0.000 0.906 662 T CB 0.761 69.435 68.868 -0.324 0.000 1.082 662 T HN 0.261 nan 8.240 nan 0.000 0.531 663 G N 1.467 109.913 108.800 -0.591 0.000 3.182 663 G HA2 0.473 4.433 3.960 0.001 0.000 0.167 663 G HA3 0.473 4.433 3.960 0.001 0.000 0.167 663 G C 0.851 174.896 174.900 -1.425 0.000 1.537 663 G CA -0.583 43.952 45.100 -0.942 0.000 1.046 663 G HN 0.273 nan 8.290 nan 0.000 0.580 664 L N 0.885 121.381 121.223 -1.212 0.000 2.127 664 L HA -0.056 4.285 4.340 0.001 0.000 0.211 664 L C 3.089 179.547 176.870 -0.687 0.000 1.089 664 L CA 1.159 55.263 54.840 -1.227 0.000 0.757 664 L CB -0.542 40.445 42.059 -1.787 0.000 0.899 664 L HN 0.583 nan 8.230 nan 0.000 0.434 665 G N -0.929 107.584 108.800 -0.478 0.000 2.446 665 G HA2 -0.359 3.602 3.960 0.001 0.000 0.217 665 G HA3 -0.359 3.602 3.960 0.001 0.000 0.217 665 G C 1.466 176.277 174.900 -0.147 0.000 1.168 665 G CA 0.855 45.864 45.100 -0.151 0.000 0.771 665 G HN 0.422 nan 8.290 nan 0.000 0.551 666 Q N -1.040 118.581 119.800 -0.298 0.000 2.119 666 Q HA -0.113 4.228 4.340 0.001 0.000 0.201 666 Q C 2.215 178.210 176.000 -0.009 0.000 0.972 666 Q CA 1.133 56.836 55.803 -0.167 0.000 0.847 666 Q CB -0.147 28.455 28.738 -0.227 0.000 0.903 666 Q HN 0.592 nan 8.270 nan 0.000 0.433 667 Y N -0.291 119.937 120.300 -0.119 0.000 2.457 667 Y HA 0.010 4.561 4.550 0.001 0.000 0.292 667 Y C 2.536 178.442 175.900 0.009 0.000 1.125 667 Y CA 0.948 59.004 58.100 -0.073 0.000 1.254 667 Y CB -0.267 38.093 38.460 -0.167 0.000 1.012 667 Y HN 0.261 nan 8.280 nan 0.000 0.555 668 S N -1.089 114.706 115.700 0.159 0.000 2.492 668 S HA 0.023 4.493 4.470 0.001 0.000 0.218 668 S C 1.867 176.551 174.600 0.141 0.000 1.016 668 S CA -0.108 58.202 58.200 0.182 0.000 0.916 668 S CB -0.028 63.326 63.200 0.257 0.000 0.791 668 S HN 0.240 nan 8.310 nan 0.000 0.513 669 K N 2.065 122.531 120.400 0.110 0.000 2.107 669 K HA -0.231 4.089 4.320 0.001 0.000 0.211 669 K C 1.269 177.920 176.600 0.086 0.000 1.049 669 K CA 2.113 58.453 56.287 0.089 0.000 0.927 669 K CB -0.425 32.117 32.500 0.069 0.000 0.714 669 K HN 0.657 nan 8.250 nan 0.000 0.452 670 D N -0.197 120.257 120.400 0.091 0.000 2.378 670 D HA -0.156 4.485 4.640 0.001 0.000 0.227 670 D C 0.119 176.471 176.300 0.088 0.000 1.012 670 D CA 0.336 54.384 54.000 0.080 0.000 0.905 670 D CB -0.812 40.031 40.800 0.072 0.000 0.895 670 D HN 0.168 nan 8.370 nan 0.000 0.532 671 N N 1.179 119.939 118.700 0.100 0.000 2.705 671 N HA -0.219 4.522 4.740 0.001 0.000 0.255 671 N C -1.012 174.556 175.510 0.097 0.000 1.008 671 N CA 0.523 53.630 53.050 0.096 0.000 0.742 671 N CB -1.188 37.345 38.487 0.077 0.000 0.906 671 N HN 0.491 nan 8.380 nan 0.000 0.541 672 E N -0.300 119.970 120.200 0.117 0.000 2.422 672 E HA 0.067 4.418 4.350 0.001 0.000 0.260 672 E C 0.397 177.059 176.600 0.103 0.000 1.108 672 E CA 0.083 56.553 56.400 0.117 0.000 0.943 672 E CB 0.394 30.188 29.700 0.156 0.000 0.961 672 E HN 0.430 nan 8.360 nan 0.000 0.443 673 S N 1.450 117.205 115.700 0.090 0.000 2.549 673 S HA 0.063 4.534 4.470 0.001 0.000 0.279 673 S C 0.359 175.009 174.600 0.082 0.000 1.321 673 S CA -0.459 57.788 58.200 0.079 0.000 1.054 673 S CB 0.189 63.429 63.200 0.066 0.000 0.899 673 S HN 0.467 nan 8.310 nan 0.000 0.497 674 L N 3.311 124.582 121.223 0.080 0.000 2.872 674 L HA 0.351 4.692 4.340 0.001 0.000 0.245 674 L C 0.046 176.955 176.870 0.066 0.000 1.211 674 L CA -0.167 54.721 54.840 0.081 0.000 1.013 674 L CB 0.054 42.170 42.059 0.094 0.000 1.326 674 L HN 0.629 nan 8.230 nan 0.000 0.525 675 D N 1.145 121.580 120.400 0.058 0.000 2.347 675 D HA 0.078 4.719 4.640 0.001 0.000 0.235 675 D C 0.602 176.926 176.300 0.040 0.000 1.149 675 D CA -0.036 53.993 54.000 0.047 0.000 0.850 675 D CB 0.294 41.121 40.800 0.044 0.000 1.061 675 D HN 0.144 nan 8.370 nan 0.000 0.487 676 N N 2.803 121.524 118.700 0.035 0.000 2.696 676 N HA -0.233 4.508 4.740 0.001 0.000 0.256 676 N C -1.286 174.240 175.510 0.026 0.000 1.031 676 N CA 0.588 53.654 53.050 0.026 0.000 0.730 676 N CB -0.422 38.078 38.487 0.021 0.000 0.894 676 N HN 0.434 nan 8.380 nan 0.000 0.544 677 T N -0.451 114.122 114.554 0.032 0.000 2.812 677 T HA 0.139 4.489 4.350 0.001 0.000 0.294 677 T C -1.650 173.067 174.700 0.028 0.000 1.159 677 T CA -0.565 61.554 62.100 0.032 0.000 1.008 677 T CB 1.472 70.368 68.868 0.046 0.000 1.289 677 T HN 0.205 nan 8.240 nan 0.000 0.514 678 D N 1.673 122.087 120.400 0.024 0.000 2.348 678 D HA 0.480 5.121 4.640 0.001 0.000 0.259 678 D C 0.115 176.447 176.300 0.055 0.000 1.296 678 D CA -0.073 53.933 54.000 0.011 0.000 0.931 678 D CB 0.333 41.115 40.800 -0.030 0.000 1.067 678 D HN 0.703 nan 8.370 nan 0.000 0.503 679 A N 2.938 125.794 122.820 0.060 0.000 2.257 679 A HA 0.645 4.965 4.320 0.001 0.000 0.289 679 A C -0.510 177.138 177.584 0.107 0.000 1.095 679 A CA -0.522 51.575 52.037 0.100 0.000 0.836 679 A CB 1.141 20.202 19.000 0.101 0.000 1.111 679 A HN 0.378 nan 8.150 nan 0.000 0.497 680 V N 0.627 120.633 119.914 0.153 0.000 2.733 680 V HA 0.409 4.530 4.120 0.001 0.000 0.306 680 V C -0.665 175.493 176.094 0.107 0.000 1.084 680 V CA -0.528 61.818 62.300 0.078 0.000 0.905 680 V CB 1.699 33.583 31.823 0.101 0.000 1.010 680 V HN 0.678 nan 8.190 nan 0.000 0.424 681 V N 3.270 123.165 119.914 -0.031 0.000 2.472 681 V HA 0.538 4.659 4.120 0.001 0.000 0.290 681 V C -1.061 175.017 176.094 -0.027 0.000 1.037 681 V CA -0.524 61.833 62.300 0.096 0.000 0.908 681 V CB 1.705 33.576 31.823 0.079 0.000 0.985 681 V HN 0.896 nan 8.190 nan 0.000 0.454 682 W N 4.421 125.841 121.300 0.201 0.000 2.656 682 W HA 0.786 5.447 4.660 0.001 0.000 0.327 682 W C -0.294 176.384 176.519 0.265 0.000 1.041 682 W CA -0.611 56.850 57.345 0.194 0.000 1.229 682 W CB 1.438 30.963 29.460 0.108 0.000 1.397 682 W HN 0.270 nan 8.180 nan 0.000 0.479 683 M N 2.819 122.688 119.600 0.447 0.000 2.253 683 M HA 0.427 4.908 4.480 0.001 0.000 0.314 683 M C -0.507 176.052 176.300 0.433 0.000 1.019 683 M CA -0.462 55.078 55.300 0.401 0.000 0.932 683 M CB 2.190 34.963 32.600 0.288 0.000 1.606 683 M HN 0.227 nan 8.290 nan 0.000 0.430 684 T N 1.605 116.413 114.554 0.425 0.000 2.794 684 T HA 0.523 4.874 4.350 0.001 0.000 0.280 684 T C -0.362 174.544 174.700 0.343 0.000 0.987 684 T CA -0.413 61.924 62.100 0.395 0.000 0.993 684 T CB 1.333 70.468 68.868 0.444 0.000 0.939 684 T HN 0.723 nan 8.240 nan 0.000 0.449 685 T N 1.657 116.423 114.554 0.354 0.000 2.928 685 T HA 0.729 5.080 4.350 0.001 0.000 0.296 685 T C -0.277 174.620 174.700 0.328 0.000 1.000 685 T CA -0.504 61.802 62.100 0.343 0.000 0.989 685 T CB 0.985 70.092 68.868 0.399 0.000 1.005 685 T HN 0.720 nan 8.240 nan 0.000 0.442 686 G N 2.170 111.105 108.800 0.226 0.000 2.574 686 G HA2 0.734 4.694 3.960 0.001 0.000 0.299 686 G HA3 0.734 4.694 3.960 0.001 0.000 0.299 686 G C -0.424 174.565 174.900 0.149 0.000 1.298 686 G CA -0.553 44.653 45.100 0.176 0.000 0.952 686 G HN 1.053 nan 8.290 nan 0.000 0.477 687 T N -2.369 112.280 114.554 0.159 0.000 2.930 687 T HA 0.725 5.076 4.350 0.001 0.000 0.290 687 T C -0.483 174.249 174.700 0.053 0.000 1.052 687 T CA -0.646 61.530 62.100 0.127 0.000 1.017 687 T CB 2.075 71.066 68.868 0.205 0.000 1.137 687 T HN 0.358 nan 8.240 nan 0.000 0.511 688 T N 1.750 116.303 114.554 -0.002 0.000 2.788 688 T HA 0.313 4.664 4.350 0.001 0.000 0.296 688 T C -0.718 173.902 174.700 -0.133 0.000 1.009 688 T CA -0.414 61.638 62.100 -0.079 0.000 0.949 688 T CB -0.072 68.752 68.868 -0.074 0.000 0.946 688 T HN 0.785 nan 8.240 nan 0.000 0.453 689 H N 3.847 122.666 119.070 -0.418 0.000 2.787 689 H HA 0.481 5.038 4.556 0.001 0.000 0.275 689 H C -0.732 174.300 175.328 -0.494 0.000 1.183 689 H CA -0.688 55.006 56.048 -0.591 0.000 1.290 689 H CB 0.278 29.669 29.762 -0.618 0.000 1.438 689 H HN 0.284 nan 8.280 nan 0.000 0.487 690 V N 4.995 124.820 119.914 -0.147 0.000 2.406 690 V HA 0.320 4.441 4.120 0.001 0.000 0.272 690 V C 0.688 176.753 176.094 -0.048 0.000 1.043 690 V CA -0.413 61.804 62.300 -0.139 0.000 0.915 690 V CB 0.643 32.418 31.823 -0.080 0.000 0.988 690 V HN 0.852 nan 8.190 nan 0.000 0.466 691 A N 6.670 129.406 122.820 -0.140 0.000 2.259 691 A HA 0.924 5.244 4.320 0.001 0.000 0.278 691 A C 0.267 177.881 177.584 0.050 0.000 1.107 691 A CA -0.394 51.626 52.037 -0.028 0.000 0.828 691 A CB 0.664 19.594 19.000 -0.116 0.000 1.111 691 A HN 0.992 nan 8.150 nan 0.000 0.498 692 R N -2.162 118.403 120.500 0.109 0.000 2.716 692 R HA 0.605 4.946 4.340 0.001 0.000 0.271 692 R C 0.319 176.682 176.300 0.106 0.000 1.028 692 R CA -0.121 56.027 56.100 0.080 0.000 0.883 692 R CB 0.950 31.303 30.300 0.090 0.000 1.250 692 R HN 0.816 nan 8.270 nan 0.000 0.465 693 A N 1.007 123.874 122.820 0.079 0.000 1.972 693 A HA -0.147 4.174 4.320 0.001 0.000 0.219 693 A C 1.489 179.161 177.584 0.147 0.000 1.169 693 A CA 1.822 53.924 52.037 0.108 0.000 0.635 693 A CB -0.631 18.407 19.000 0.063 0.000 0.810 693 A HN 0.833 nan 8.150 nan 0.000 0.446 694 E N 0.188 120.458 120.200 0.116 0.000 2.331 694 E HA -0.157 4.194 4.350 0.001 0.000 0.199 694 E C 1.246 177.922 176.600 0.127 0.000 1.008 694 E CA 1.310 57.773 56.400 0.105 0.000 0.843 694 E CB -0.134 29.616 29.700 0.084 0.000 0.761 694 E HN 0.786 nan 8.360 nan 0.000 0.507 695 E N -1.022 119.291 120.200 0.188 0.000 2.465 695 E HA 0.049 4.400 4.350 0.001 0.000 0.195 695 E C -0.484 176.287 176.600 0.286 0.000 1.028 695 E CA -0.292 56.239 56.400 0.217 0.000 0.899 695 E CB 0.447 30.325 29.700 0.296 0.000 1.032 695 E HN 0.193 nan 8.360 nan 0.000 0.468 696 W N 1.713 123.033 121.300 0.034 0.000 2.998 696 W HA 0.263 4.924 4.660 0.001 0.000 0.335 696 W C -2.488 174.043 176.519 0.020 0.000 1.110 696 W CA -2.120 55.236 57.345 0.019 0.000 1.230 696 W CB 1.751 31.220 29.460 0.014 0.000 1.405 696 W HN -0.131 nan 8.180 nan 0.000 0.493 697 P HA 0.113 nan 4.420 nan 0.000 0.245 697 P C -0.055 176.875 177.300 -0.617 0.000 1.206 697 P CA 0.696 63.046 63.100 -1.250 0.000 0.781 697 P CB 1.398 32.566 31.700 -0.887 0.000 0.994 698 I N -0.300 120.097 120.570 -0.290 0.000 2.499 698 I HA 0.340 4.511 4.170 0.001 0.000 0.288 698 I C -0.573 175.485 176.117 -0.098 0.000 1.048 698 I CA -1.579 59.578 61.300 -0.238 0.000 1.062 698 I CB 2.417 40.266 38.000 -0.253 0.000 1.238 698 I HN -0.294 nan 8.210 nan 0.000 0.426 699 M N 9.991 129.557 119.600 -0.057 0.000 2.194 699 M HA 0.441 4.922 4.480 0.001 0.000 0.347 699 M C -2.366 173.895 176.300 -0.065 0.000 1.439 699 M CA -1.256 54.057 55.300 0.022 0.000 1.131 699 M CB 0.574 33.256 32.600 0.138 0.000 1.733 699 M HN 0.283 nan 8.290 nan 0.000 0.467 700 P HA -0.008 nan 4.420 nan 0.000 0.265 700 P C -0.846 176.365 177.300 -0.149 0.000 1.187 700 P CA 0.268 63.320 63.100 -0.080 0.000 0.766 700 P CB 0.345 32.021 31.700 -0.040 0.000 0.820 701 T N 3.974 118.424 114.554 -0.175 0.000 2.831 701 T HA 0.041 4.392 4.350 0.001 0.000 0.291 701 T C 0.232 174.696 174.700 -0.395 0.000 0.981 701 T CA 0.251 62.152 62.100 -0.331 0.000 1.174 701 T CB -0.179 68.518 68.868 -0.285 0.000 0.929 701 T HN 0.331 nan 8.240 nan 0.000 0.532 702 E N 2.309 122.155 120.200 -0.590 0.000 2.207 702 E HA 0.384 4.735 4.350 0.001 0.000 0.270 702 E C -0.894 175.303 176.600 -0.672 0.000 0.927 702 E CA -0.570 55.490 56.400 -0.567 0.000 0.799 702 E CB 1.866 31.101 29.700 -0.775 0.000 1.172 702 E HN 0.597 nan 8.360 nan 0.000 0.404 703 W N 1.017 122.126 121.300 -0.319 0.000 2.844 703 W HA 0.453 5.114 4.660 0.001 0.000 0.340 703 W C -0.442 175.822 176.519 -0.425 0.000 1.093 703 W CA -0.775 56.360 57.345 -0.350 0.000 1.212 703 W CB 1.703 30.985 29.460 -0.297 0.000 1.422 703 W HN 0.270 nan 8.180 nan 0.000 0.515 704 V N -0.455 119.347 119.914 -0.188 0.000 2.914 704 V HA 0.640 4.761 4.120 0.001 0.000 0.314 704 V C -0.861 174.970 176.094 -0.438 0.000 1.084 704 V CA -0.836 61.300 62.300 -0.273 0.000 0.963 704 V CB 1.896 33.724 31.823 0.009 0.000 1.025 704 V HN 0.632 nan 8.190 nan 0.000 0.432 705 H N 2.139 121.223 119.070 0.024 0.000 2.622 705 H HA 0.816 5.373 4.556 0.001 0.000 0.363 705 H C -0.241 175.034 175.328 -0.089 0.000 1.151 705 H CA 0.074 56.078 56.048 -0.072 0.000 1.184 705 H CB 2.220 31.912 29.762 -0.116 0.000 1.643 705 H HN 1.063 nan 8.280 nan 0.000 0.531 706 T N -0.219 114.306 114.554 -0.048 0.000 2.901 706 T HA 0.655 5.005 4.350 0.001 0.000 0.293 706 T C -0.939 173.665 174.700 -0.161 0.000 1.084 706 T CA -0.825 61.211 62.100 -0.107 0.000 1.008 706 T CB 2.022 70.791 68.868 -0.166 0.000 1.170 706 T HN 0.257 nan 8.240 nan 0.000 0.509 707 L N 0.343 121.477 121.223 -0.149 0.000 2.465 707 L HA 0.729 5.070 4.340 0.001 0.000 0.257 707 L C -1.767 175.043 176.870 -0.101 0.000 0.988 707 L CA -0.816 53.939 54.840 -0.142 0.000 0.827 707 L CB 2.303 44.297 42.059 -0.108 0.000 1.397 707 L HN 0.821 nan 8.230 nan 0.000 0.410 708 L N 3.339 124.521 121.223 -0.068 0.000 2.446 708 L HA 0.539 4.880 4.340 0.001 0.000 0.268 708 L C -0.910 176.048 176.870 0.146 0.000 0.975 708 L CA -0.630 54.253 54.840 0.071 0.000 0.848 708 L CB 1.750 43.844 42.059 0.059 0.000 1.225 708 L HN 0.497 nan 8.230 nan 0.000 0.410 709 K N 3.892 124.352 120.400 0.099 0.000 2.270 709 K HA 0.514 4.835 4.320 0.001 0.000 0.255 709 K C -2.622 173.732 176.600 -0.411 0.000 0.936 709 K CA -1.949 54.305 56.287 -0.055 0.000 0.809 709 K CB 2.107 34.614 32.500 0.011 0.000 1.131 709 K HN 0.148 nan 8.250 nan 0.000 0.427 710 P HA -0.086 nan 4.420 nan 0.000 0.263 710 P C -1.097 176.067 177.300 -0.227 0.000 1.195 710 P CA 0.000 62.590 63.100 -0.851 0.000 0.762 710 P CB 0.378 31.888 31.700 -0.317 0.000 0.799 711 W N 5.532 126.651 121.300 -0.301 0.000 2.453 711 W HA 0.155 4.815 4.660 0.001 0.000 0.310 711 W C -0.390 176.101 176.519 -0.047 0.000 1.000 711 W CA -0.398 56.879 57.345 -0.115 0.000 1.367 711 W CB 0.288 29.699 29.460 -0.082 0.000 1.269 711 W HN 0.495 nan 8.180 nan 0.000 0.418 712 N N 3.630 122.237 118.700 -0.154 0.000 2.678 712 N HA -0.336 4.405 4.740 0.001 0.000 0.249 712 N C 0.497 175.998 175.510 -0.015 0.000 1.119 712 N CA 1.563 54.577 53.050 -0.060 0.000 0.718 712 N CB -1.916 36.567 38.487 -0.007 0.000 1.060 712 N HN 0.524 nan 8.380 nan 0.000 0.552 713 F N -0.183 119.630 119.950 -0.228 0.000 2.186 713 F HA 0.076 4.604 4.527 0.001 0.000 0.299 713 F C 0.876 176.318 175.800 -0.598 0.000 1.090 713 F CA 1.110 58.841 58.000 -0.449 0.000 1.307 713 F CB 0.170 38.753 39.000 -0.694 0.000 1.019 713 F HN -0.005 nan 8.300 nan 0.000 0.489 714 F N -0.239 119.716 119.950 0.010 0.000 2.585 714 F HA 0.263 4.791 4.527 0.001 0.000 0.350 714 F C 1.353 177.100 175.800 -0.088 0.000 1.074 714 F CA -0.954 57.010 58.000 -0.060 0.000 1.032 714 F CB 0.225 39.192 39.000 -0.056 0.000 1.330 714 F HN -0.326 nan 8.300 nan 0.000 0.495 715 D N -0.391 120.097 120.400 0.146 0.000 2.354 715 D HA 0.054 4.695 4.640 0.001 0.000 0.209 715 D C 0.114 176.417 176.300 0.004 0.000 1.015 715 D CA 0.656 54.677 54.000 0.035 0.000 0.867 715 D CB 0.505 41.313 40.800 0.014 0.000 0.933 715 D HN 0.738 nan 8.370 nan 0.000 0.520 716 E N -1.161 119.047 120.200 0.013 0.000 2.435 716 E HA 0.179 4.530 4.350 0.001 0.000 0.277 716 E C -1.218 175.329 176.600 -0.089 0.000 1.106 716 E CA -0.784 55.584 56.400 -0.052 0.000 0.868 716 E CB 0.352 30.017 29.700 -0.058 0.000 1.454 716 E HN -0.315 nan 8.360 nan 0.000 0.452 717 T N 2.748 117.228 114.554 -0.123 0.000 2.778 717 T HA 0.051 4.402 4.350 0.001 0.000 0.282 717 T C -1.844 172.761 174.700 -0.159 0.000 0.983 717 T CA -0.378 61.637 62.100 -0.141 0.000 1.193 717 T CB 0.193 68.948 68.868 -0.187 0.000 0.938 717 T HN 0.309 nan 8.240 nan 0.000 0.523 718 P HA 0.015 nan 4.420 nan 0.000 0.230 718 P C 1.196 178.381 177.300 -0.191 0.000 1.158 718 P CA 0.601 63.447 63.100 -0.424 0.000 0.769 718 P CB 0.065 31.307 31.700 -0.762 0.000 0.807 719 T N -4.759 109.772 114.554 -0.038 0.000 3.129 719 T HA 0.249 4.600 4.350 0.001 0.000 0.267 719 T C 1.410 176.198 174.700 0.147 0.000 1.018 719 T CA -0.242 61.896 62.100 0.064 0.000 0.903 719 T CB -0.692 68.252 68.868 0.128 0.000 1.067 719 T HN -0.010 nan 8.240 nan 0.000 0.549 720 L N 1.332 122.600 121.223 0.075 0.000 2.131 720 L HA 0.212 4.552 4.340 0.001 0.000 0.210 720 L C 1.585 178.485 176.870 0.049 0.000 1.092 720 L CA 1.379 56.262 54.840 0.072 0.000 0.759 720 L CB -0.883 41.161 42.059 -0.025 0.000 0.903 720 L HN 0.760 nan 8.230 nan 0.000 0.435 721 G N -1.503 107.302 108.800 0.008 0.000 2.612 721 G HA2 -0.012 3.948 3.960 0.001 0.000 0.686 721 G HA3 -0.012 3.948 3.960 0.001 0.000 0.686 721 G C -0.317 174.575 174.900 -0.013 0.000 1.274 721 G CA -0.661 44.434 45.100 -0.007 0.000 0.849 721 G HN 0.415 nan 8.290 nan 0.000 0.595 722 A N -0.294 122.516 122.820 -0.016 0.000 2.565 722 A HA 0.490 4.811 4.320 0.001 0.000 0.237 722 A C 0.636 178.215 177.584 -0.010 0.000 1.053 722 A CA 0.765 52.794 52.037 -0.013 0.000 0.755 722 A CB 0.549 19.540 19.000 -0.015 0.000 0.980 722 A HN 2.122 nan 8.150 nan 0.000 0.506 723 L N 2.099 123.317 121.223 -0.009 0.000 2.371 723 L HA 0.375 4.715 4.340 0.001 0.000 0.272 723 L C 0.900 177.765 176.870 -0.008 0.000 1.124 723 L CA 0.594 55.429 54.840 -0.009 0.000 0.816 723 L CB 0.862 42.916 42.059 -0.009 0.000 1.129 723 L HN 0.874 nan 8.230 nan 0.000 0.448 724 K N 2.068 122.464 120.400 -0.008 0.000 2.216 724 K HA 0.198 4.519 4.320 0.001 0.000 0.207 724 K C -0.149 176.447 176.600 -0.008 0.000 1.041 724 K CA 0.026 56.309 56.287 -0.007 0.000 0.966 724 K CB 0.150 32.647 32.500 -0.006 0.000 0.955 724 K HN 0.326 nan 8.250 nan 0.000 0.468 725 K N 3.262 123.657 120.400 -0.008 0.000 2.320 725 K HA -0.096 4.225 4.320 0.001 0.000 0.273 725 K C -0.148 176.446 176.600 -0.009 0.000 1.146 725 K CA 0.801 57.082 56.287 -0.009 0.000 1.144 725 K CB -0.537 31.957 32.500 -0.010 0.000 0.878 725 K HN 0.377 nan 8.250 nan 0.000 0.458 726 D N 1.544 121.939 120.400 -0.008 0.000 3.395 726 D HA -0.262 4.378 4.640 0.001 0.000 0.238 726 D C -0.714 175.582 176.300 -0.008 0.000 1.741 726 D CA 1.484 55.479 54.000 -0.008 0.000 1.135 726 D CB -0.042 40.752 40.800 -0.009 0.000 0.767 726 D HN 0.503 nan 8.370 nan 0.000 0.934 727 K N 0.000 120.395 120.400 -0.008 0.000 2.780 727 K HA 0.000 4.321 4.320 0.001 0.000 0.191 727 K CA 0.000 56.283 56.287 -0.007 0.000 0.838 727 K CB 0.000 32.496 32.500 -0.006 0.000 1.064 727 K HN 0.000 nan 8.250 nan 0.000 0.543