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_A 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 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 0.000 177.660 177.584 0.126 0.000 1.274 5 A CA 0.000 52.069 52.037 0.052 0.000 0.836 5 A CB 0.000 19.017 19.000 0.029 0.000 0.831 6 H N 0.858 119.920 119.070 -0.012 0.000 3.018 6 H HA 0.542 5.098 4.556 -0.000 0.000 0.334 6 H C -1.295 174.050 175.328 0.029 0.000 0.983 6 H CA -0.617 55.430 56.048 -0.002 0.000 1.363 6 H CB 0.782 30.552 29.762 0.012 0.000 1.668 6 H HN 0.221 nan 8.280 nan 0.000 0.513 7 M N 4.744 124.267 119.600 -0.128 0.000 2.404 7 M HA 0.228 4.708 4.480 -0.000 0.000 0.338 7 M C 0.147 176.493 176.300 0.076 0.000 1.150 7 M CA -0.986 54.312 55.300 -0.003 0.000 1.016 7 M CB 1.800 34.410 32.600 0.018 0.000 1.672 7 M HN 0.304 nan 8.290 nan 0.000 0.448 8 V N 0.890 120.875 119.914 0.118 0.000 2.837 8 V HA 0.655 4.775 4.120 -0.000 0.000 0.310 8 V C -2.614 173.471 176.094 -0.015 0.000 1.059 8 V CA -2.326 60.026 62.300 0.088 0.000 1.004 8 V CB 0.799 32.614 31.823 -0.014 0.000 1.045 8 V HN 0.613 nan 8.190 nan 0.000 0.465 9 P HA 0.208 nan 4.420 nan 0.000 0.276 9 P C 0.614 177.599 177.300 -0.525 0.000 1.243 9 P CA -0.089 62.450 63.100 -0.935 0.000 0.768 9 P CB 0.753 31.949 31.700 -0.839 0.000 0.856 10 M N 2.799 122.064 119.600 -0.558 0.000 2.066 10 M HA -0.210 4.270 4.480 -0.000 0.000 0.259 10 M C 0.955 177.077 176.300 -0.295 0.000 1.074 10 M CA 2.216 57.260 55.300 -0.426 0.000 1.114 10 M CB -0.543 31.721 32.600 -0.560 0.000 1.306 10 M HN 0.296 nan 8.290 nan 0.000 0.411 11 D N 0.238 120.466 120.400 -0.286 0.000 2.133 11 D HA -0.216 4.424 4.640 -0.000 0.000 0.195 11 D C 2.026 178.248 176.300 -0.129 0.000 0.997 11 D CA 1.328 55.233 54.000 -0.159 0.000 0.840 11 D CB -0.048 40.673 40.800 -0.131 0.000 0.947 11 D HN 0.218 nan 8.370 nan 0.000 0.452 12 K N -0.132 120.160 120.400 -0.181 0.000 1.984 12 K HA -0.123 4.197 4.320 -0.000 0.000 0.209 12 K C 2.209 178.760 176.600 -0.083 0.000 1.046 12 K CA 1.826 58.034 56.287 -0.132 0.000 0.934 12 K CB -0.441 31.959 32.500 -0.167 0.000 0.717 12 K HN 0.329 nan 8.250 nan 0.000 0.438 13 T N -0.531 113.967 114.554 -0.094 0.000 2.904 13 T HA -0.032 4.318 4.350 -0.000 0.000 0.267 13 T C 2.242 176.958 174.700 0.026 0.000 1.059 13 T CA 0.647 62.728 62.100 -0.032 0.000 1.137 13 T CB -0.267 68.578 68.868 -0.038 0.000 0.879 13 T HN 0.125 nan 8.240 nan 0.000 0.467 14 L N -0.026 121.208 121.223 0.018 0.000 2.056 14 L HA 0.042 4.382 4.340 -0.000 0.000 0.207 14 L C 2.958 179.885 176.870 0.095 0.000 1.078 14 L CA 1.322 56.221 54.840 0.098 0.000 0.749 14 L CB -0.316 41.799 42.059 0.092 0.000 0.901 14 L HN 0.202 nan 8.230 nan 0.000 0.433 15 K N -0.110 120.309 120.400 0.032 0.000 2.217 15 K HA -0.164 4.155 4.320 -0.000 0.000 0.202 15 K C 1.950 178.551 176.600 0.001 0.000 1.051 15 K CA 0.803 57.096 56.287 0.010 0.000 0.952 15 K CB 0.099 32.597 32.500 -0.005 0.000 0.736 15 K HN 0.138 nan 8.250 nan 0.000 0.453 16 E N -0.863 119.349 120.200 0.019 0.000 2.150 16 E HA -0.159 4.191 4.350 -0.000 0.000 0.193 16 E C 1.256 177.886 176.600 0.051 0.000 0.985 16 E CA 0.834 57.248 56.400 0.023 0.000 0.814 16 E CB -0.063 29.654 29.700 0.028 0.000 0.752 16 E HN 0.288 nan 8.360 nan 0.000 0.466 17 F N -0.502 119.394 119.950 -0.090 0.000 2.661 17 F HA 0.131 4.658 4.527 -0.000 0.000 0.298 17 F C 1.380 177.090 175.800 -0.150 0.000 1.137 17 F CA 1.401 59.320 58.000 -0.134 0.000 1.454 17 F CB 0.363 39.247 39.000 -0.192 0.000 1.103 17 F HN 0.083 nan 8.300 nan 0.000 0.577 18 G N 0.216 108.851 108.800 -0.274 0.000 2.176 18 G HA2 -0.100 3.860 3.960 -0.000 0.000 0.232 18 G HA3 -0.100 3.860 3.960 -0.000 0.000 0.232 18 G C 0.441 175.183 174.900 -0.264 0.000 0.986 18 G CA 0.032 44.941 45.100 -0.319 0.000 0.643 18 G HN 0.803 nan 8.290 nan 0.000 0.522 19 A N -0.394 122.319 122.820 -0.177 0.000 2.287 19 A HA 0.649 4.969 4.320 -0.000 0.000 0.273 19 A C 0.018 177.624 177.584 0.038 0.000 1.091 19 A CA 0.588 52.610 52.037 -0.026 0.000 0.817 19 A CB 0.595 19.660 19.000 0.108 0.000 1.069 19 A HN 0.514 nan 8.150 nan 0.000 0.492 20 D N -0.497 119.952 120.400 0.082 0.000 2.256 20 D HA 0.496 5.136 4.640 -0.000 0.000 0.240 20 D C -1.100 175.271 176.300 0.118 0.000 1.062 20 D CA -0.079 53.968 54.000 0.079 0.000 0.832 20 D CB 1.374 42.214 40.800 0.068 0.000 1.135 20 D HN 0.207 nan 8.370 nan 0.000 0.484 21 V N 4.097 124.087 119.914 0.126 0.000 2.384 21 V HA 0.412 4.532 4.120 -0.000 0.000 0.287 21 V C -0.386 175.834 176.094 0.210 0.000 1.020 21 V CA -0.687 61.728 62.300 0.192 0.000 0.850 21 V CB 1.356 33.290 31.823 0.185 0.000 0.987 21 V HN 0.537 nan 8.190 nan 0.000 0.436 22 Q N 4.281 124.227 119.800 0.243 0.000 2.330 22 Q HA 0.395 4.735 4.340 -0.000 0.000 0.269 22 Q C -1.111 175.029 176.000 0.233 0.000 1.022 22 Q CA -0.266 55.650 55.803 0.188 0.000 0.796 22 Q CB 2.770 31.563 28.738 0.092 0.000 1.271 22 Q HN 0.863 nan 8.270 nan 0.000 0.450 23 W N 3.282 124.538 121.300 -0.073 0.000 2.469 23 W HA 0.436 5.096 4.660 -0.000 0.000 0.320 23 W C -1.252 175.150 176.519 -0.196 0.000 1.086 23 W CA -0.493 56.653 57.345 -0.332 0.000 1.211 23 W CB 1.548 30.777 29.460 -0.383 0.000 1.298 23 W HN 0.642 nan 8.180 nan 0.000 0.525 24 D N 3.630 123.372 120.400 -1.097 0.000 2.469 24 D HA 0.086 4.726 4.640 -0.000 0.000 0.251 24 D C 0.304 175.867 176.300 -1.228 0.000 1.173 24 D CA -0.238 53.268 54.000 -0.824 0.000 0.882 24 D CB 1.478 42.010 40.800 -0.447 0.000 1.129 24 D HN 0.456 nan 8.370 nan 0.000 0.549 25 D N 2.135 122.019 120.400 -0.860 0.000 2.178 25 D HA -0.213 4.427 4.640 -0.000 0.000 0.202 25 D C 1.330 177.467 176.300 -0.272 0.000 0.974 25 D CA 0.965 54.660 54.000 -0.508 0.000 0.841 25 D CB 0.051 40.836 40.800 -0.026 0.000 0.953 25 D HN 0.526 nan 8.370 nan 0.000 0.478 26 Y N 0.484 120.604 120.300 -0.301 0.000 2.200 26 Y HA 0.004 4.554 4.550 -0.000 0.000 0.290 26 Y C 1.816 177.603 175.900 -0.188 0.000 1.137 26 Y CA 1.676 59.664 58.100 -0.186 0.000 1.163 26 Y CB -0.242 38.133 38.460 -0.141 0.000 0.988 26 Y HN 0.017 nan 8.280 nan 0.000 0.518 27 A N -0.547 122.085 122.820 -0.313 0.000 2.308 27 A HA 0.127 4.447 4.320 -0.000 0.000 0.217 27 A C 0.492 177.875 177.584 -0.336 0.000 1.216 27 A CA 0.144 51.974 52.037 -0.344 0.000 0.864 27 A CB -0.188 18.693 19.000 -0.199 0.000 0.902 27 A HN 0.471 nan 8.150 nan 0.000 0.499 28 Q N -0.585 118.944 119.800 -0.452 0.000 2.431 28 Q HA -0.177 4.163 4.340 -0.000 0.000 0.344 28 Q C -0.733 175.033 176.000 -0.388 0.000 1.384 28 Q CA 0.759 56.303 55.803 -0.431 0.000 0.984 28 Q CB -1.496 27.233 28.738 -0.015 0.000 1.204 28 Q HN 0.549 nan 8.270 nan 0.000 0.392 29 L N 0.562 121.345 121.223 -0.734 0.000 2.436 29 L HA 0.533 4.872 4.340 -0.000 0.000 0.268 29 L C -0.868 175.847 176.870 -0.257 0.000 0.974 29 L CA -0.613 54.069 54.840 -0.264 0.000 0.826 29 L CB 1.459 43.411 42.059 -0.178 0.000 1.291 29 L HN 0.125 nan 8.230 nan 0.000 0.406 30 F N 2.104 122.168 119.950 0.189 0.000 2.404 30 F HA 0.430 4.957 4.527 -0.000 0.000 0.345 30 F C 0.775 176.621 175.800 0.077 0.000 1.110 30 F CA -0.076 58.057 58.000 0.221 0.000 1.130 30 F CB 1.853 41.006 39.000 0.255 0.000 1.129 30 F HN 0.339 nan 8.300 nan 0.000 0.500 31 T N 5.425 120.103 114.554 0.206 0.000 2.770 31 T HA 0.530 4.879 4.350 -0.000 0.000 0.283 31 T C -0.849 173.879 174.700 0.046 0.000 0.988 31 T CA -0.508 61.602 62.100 0.018 0.000 0.957 31 T CB 0.691 69.501 68.868 -0.097 0.000 0.930 31 T HN 0.068 nan 8.240 nan 0.000 0.443 32 L N 4.685 125.908 121.223 -0.000 0.000 2.325 32 L HA 0.607 4.947 4.340 -0.000 0.000 0.281 32 L C -0.301 176.606 176.870 0.061 0.000 1.004 32 L CA -0.607 54.306 54.840 0.123 0.000 0.823 32 L CB 1.073 43.286 42.059 0.257 0.000 1.236 32 L HN 0.640 nan 8.230 nan 0.000 0.415 33 I N 3.442 124.080 120.570 0.113 0.000 2.509 33 I HA 0.532 4.702 4.170 -0.000 0.000 0.293 33 I C -0.304 175.948 176.117 0.224 0.000 1.020 33 I CA -0.745 60.631 61.300 0.127 0.000 1.088 33 I CB 2.286 40.328 38.000 0.071 0.000 1.267 33 I HN 0.500 nan 8.210 nan 0.000 0.430 34 K N 5.748 126.323 120.400 0.292 0.000 2.587 34 K HA 0.219 4.539 4.320 -0.000 0.000 0.256 34 K C -0.975 175.747 176.600 0.204 0.000 0.974 34 K CA -0.400 55.991 56.287 0.175 0.000 0.855 34 K CB 1.200 33.708 32.500 0.013 0.000 1.292 34 K HN 0.717 nan 8.250 nan 0.000 0.444 35 D N 2.008 122.498 120.400 0.150 0.000 3.740 35 D HA -0.266 4.373 4.640 -0.000 0.000 0.147 35 D C 0.938 177.380 176.300 0.238 0.000 0.885 35 D CA 2.274 56.396 54.000 0.203 0.000 1.051 35 D CB -0.966 39.970 40.800 0.226 0.000 0.480 35 D HN 0.789 nan 8.370 nan 0.000 0.469 36 G N 0.206 109.165 108.800 0.264 0.000 2.985 36 G HA2 0.395 4.355 3.960 -0.000 0.000 0.209 36 G HA3 0.395 4.355 3.960 -0.000 0.000 0.209 36 G C 0.328 175.353 174.900 0.209 0.000 1.165 36 G CA 0.891 46.108 45.100 0.194 0.000 0.776 36 G HN 0.642 nan 8.290 nan 0.000 0.541 37 A N 0.294 123.282 122.820 0.280 0.000 2.302 37 A HA 0.599 4.919 4.320 -0.000 0.000 0.295 37 A C -1.472 176.279 177.584 0.278 0.000 1.235 37 A CA -0.511 51.690 52.037 0.273 0.000 0.876 37 A CB 0.247 19.497 19.000 0.418 0.000 1.133 37 A HN 0.296 nan 8.150 nan 0.000 0.533 38 Y N 3.306 123.650 120.300 0.073 0.000 2.447 38 Y HA 0.497 5.047 4.550 -0.000 0.000 0.325 38 Y C -0.792 175.117 175.900 0.014 0.000 0.976 38 Y CA -0.478 57.661 58.100 0.066 0.000 1.280 38 Y CB 1.383 39.877 38.460 0.056 0.000 1.104 38 Y HN 0.451 nan 8.280 nan 0.000 0.486 39 V N 6.047 125.883 119.914 -0.130 0.000 2.513 39 V HA 0.517 4.637 4.120 -0.000 0.000 0.299 39 V C -0.706 175.343 176.094 -0.074 0.000 1.035 39 V CA -1.097 61.136 62.300 -0.111 0.000 0.889 39 V CB 1.821 33.506 31.823 -0.229 0.000 0.988 39 V HN 0.564 nan 8.190 nan 0.000 0.440 40 K N 2.980 123.393 120.400 0.022 0.000 2.426 40 K HA 0.785 5.105 4.320 -0.000 0.000 0.254 40 K C -1.662 175.006 176.600 0.112 0.000 0.936 40 K CA -0.627 55.705 56.287 0.075 0.000 0.801 40 K CB 2.652 35.211 32.500 0.099 0.000 1.139 40 K HN 0.437 nan 8.250 nan 0.000 0.424 41 V N 3.153 123.178 119.914 0.185 0.000 2.851 41 V HA 0.349 4.469 4.120 -0.000 0.000 0.307 41 V C -1.523 174.742 176.094 0.284 0.000 1.129 41 V CA -0.809 61.620 62.300 0.214 0.000 0.932 41 V CB 1.992 33.958 31.823 0.238 0.000 1.024 41 V HN 0.642 nan 8.190 nan 0.000 0.426 42 K N 6.347 126.877 120.400 0.216 0.000 2.130 42 K HA 0.510 4.830 4.320 -0.000 0.000 0.268 42 K C -2.671 174.075 176.600 0.244 0.000 0.983 42 K CA -1.721 54.703 56.287 0.228 0.000 0.893 42 K CB 1.474 34.052 32.500 0.131 0.000 1.066 42 K HN 0.435 nan 8.250 nan 0.000 0.450 43 P HA -0.048 nan 4.420 nan 0.000 0.264 43 P C 0.630 178.011 177.300 0.134 0.000 1.193 43 P CA 0.807 64.037 63.100 0.216 0.000 0.763 43 P CB 0.503 32.346 31.700 0.238 0.000 0.810 44 G N 2.195 111.052 108.800 0.095 0.000 2.212 44 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.266 44 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.266 44 G C 0.465 175.404 174.900 0.066 0.000 0.978 44 G CA 0.085 45.227 45.100 0.069 0.000 0.632 44 G HN 0.861 nan 8.290 nan 0.000 0.537 45 A N -0.238 122.631 122.820 0.082 0.000 2.388 45 A HA 0.671 4.991 4.320 -0.000 0.000 0.257 45 A C 1.052 178.676 177.584 0.067 0.000 1.095 45 A CA 0.777 52.856 52.037 0.070 0.000 0.791 45 A CB 0.395 19.442 19.000 0.078 0.000 1.029 45 A HN 0.462 nan 8.150 nan 0.000 0.489 46 Q N 0.144 119.975 119.800 0.052 0.000 2.444 46 Q HA 0.052 4.392 4.340 -0.000 0.000 0.206 46 Q C 0.386 176.413 176.000 0.045 0.000 0.948 46 Q CA 1.055 56.886 55.803 0.046 0.000 0.946 46 Q CB 0.099 28.857 28.738 0.034 0.000 1.027 46 Q HN 0.903 nan 8.270 nan 0.000 0.513 47 T N -3.673 110.911 114.554 0.049 0.000 2.896 47 T HA 0.820 5.170 4.350 -0.000 0.000 0.297 47 T C -0.730 174.002 174.700 0.053 0.000 1.108 47 T CA -0.767 61.358 62.100 0.041 0.000 1.004 47 T CB 2.167 71.052 68.868 0.028 0.000 1.159 47 T HN 0.027 nan 8.240 nan 0.000 0.499 48 A N 1.592 124.434 122.820 0.037 0.000 2.414 48 A HA 0.904 5.223 4.320 -0.000 0.000 0.278 48 A C -1.074 176.520 177.584 0.017 0.000 1.228 48 A CA -1.038 51.023 52.037 0.040 0.000 0.857 48 A CB 1.159 20.179 19.000 0.034 0.000 1.389 48 A HN 0.818 nan 8.150 nan 0.000 0.452 49 I N 0.967 121.548 120.570 0.018 0.000 2.466 49 I HA 0.415 4.585 4.170 -0.000 0.000 0.289 49 I C -1.050 175.068 176.117 0.001 0.000 1.026 49 I CA -0.407 60.904 61.300 0.018 0.000 1.078 49 I CB 1.295 39.324 38.000 0.049 0.000 1.249 49 I HN 0.249 nan 8.210 nan 0.000 0.429 50 V N 6.010 125.914 119.914 -0.016 0.000 2.409 50 V HA 0.364 4.484 4.120 -0.000 0.000 0.291 50 V C 0.525 176.632 176.094 0.023 0.000 1.020 50 V CA -0.778 61.505 62.300 -0.028 0.000 0.848 50 V CB 1.284 33.047 31.823 -0.099 0.000 0.990 50 V HN 0.894 nan 8.190 nan 0.000 0.430 51 N N 4.051 122.797 118.700 0.076 0.000 2.714 51 N HA -0.252 4.488 4.740 -0.000 0.000 0.252 51 N C 1.156 176.687 175.510 0.035 0.000 1.014 51 N CA 0.431 53.522 53.050 0.068 0.000 0.735 51 N CB -0.644 37.870 38.487 0.045 0.000 0.924 51 N HN 1.378 nan 8.380 nan 0.000 0.540 52 G N -1.343 107.485 108.800 0.046 0.000 2.184 52 G HA2 -0.345 3.615 3.960 -0.000 0.000 0.264 52 G HA3 -0.345 3.615 3.960 -0.000 0.000 0.264 52 G C -0.097 174.813 174.900 0.017 0.000 0.975 52 G CA 0.554 45.669 45.100 0.025 0.000 0.642 52 G HN 0.429 nan 8.290 nan 0.000 0.536 53 Q N 0.237 120.045 119.800 0.015 0.000 2.274 53 Q HA 0.495 4.835 4.340 -0.000 0.000 0.260 53 Q C -2.667 173.334 176.000 0.002 0.000 0.974 53 Q CA -2.118 53.688 55.803 0.005 0.000 0.876 53 Q CB 1.977 30.715 28.738 0.000 0.000 1.297 53 Q HN 0.164 nan 8.270 nan 0.000 0.446 54 P HA 0.174 nan 4.420 nan 0.000 0.276 54 P C -0.873 176.421 177.300 -0.009 0.000 1.235 54 P CA -0.322 62.778 63.100 0.001 0.000 0.772 54 P CB 0.463 32.166 31.700 0.004 0.000 0.871 55 L N 3.292 124.507 121.223 -0.013 0.000 2.376 55 L HA 0.693 5.033 4.340 -0.000 0.000 0.275 55 L C -0.531 176.332 176.870 -0.011 0.000 0.987 55 L CA -0.848 53.977 54.840 -0.025 0.000 0.828 55 L CB 1.419 43.443 42.059 -0.058 0.000 1.249 55 L HN 0.359 nan 8.230 nan 0.000 0.409 56 A N 5.984 128.799 122.820 -0.007 0.000 2.492 56 A HA 0.479 4.799 4.320 -0.000 0.000 0.254 56 A C -0.419 177.168 177.584 0.005 0.000 1.091 56 A CA -0.111 51.928 52.037 0.004 0.000 0.768 56 A CB -0.282 18.720 19.000 0.004 0.000 1.028 56 A HN 0.751 nan 8.150 nan 0.000 0.498 57 L N 3.064 124.302 121.223 0.026 0.000 2.312 57 L HA 0.186 4.526 4.340 -0.000 0.000 0.281 57 L C 1.479 178.375 176.870 0.042 0.000 1.070 57 L CA -0.425 54.441 54.840 0.043 0.000 0.805 57 L CB 1.045 43.157 42.059 0.088 0.000 1.174 57 L HN 0.942 nan 8.230 nan 0.000 0.434 58 Q N 1.629 121.454 119.800 0.042 0.000 1.948 58 Q HA -0.074 4.266 4.340 -0.000 0.000 0.205 58 Q C -0.155 175.876 176.000 0.052 0.000 0.992 58 Q CA 1.226 57.053 55.803 0.041 0.000 0.849 58 Q CB 0.095 28.856 28.738 0.039 0.000 0.918 58 Q HN 0.461 nan 8.270 nan 0.000 0.421 59 V N 2.633 122.592 119.914 0.075 0.000 2.334 59 V HA 0.252 4.372 4.120 -0.000 0.000 0.281 59 V C -2.263 173.882 176.094 0.084 0.000 1.016 59 V CA -1.770 60.572 62.300 0.069 0.000 0.832 59 V CB 1.090 32.951 31.823 0.064 0.000 0.999 59 V HN 0.169 nan 8.190 nan 0.000 0.439 60 P HA 0.045 nan 4.420 nan 0.000 0.266 60 P C -0.143 177.179 177.300 0.036 0.000 1.193 60 P CA 0.046 63.185 63.100 0.064 0.000 0.770 60 P CB 0.403 32.133 31.700 0.051 0.000 0.836 61 V N 3.538 123.465 119.914 0.021 0.000 2.655 61 V HA 0.089 4.209 4.120 -0.000 0.000 0.300 61 V C 0.690 176.782 176.094 -0.002 0.000 1.044 61 V CA 0.100 62.363 62.300 -0.062 0.000 1.095 61 V CB 0.885 32.648 31.823 -0.101 0.000 0.952 61 V HN 0.430 nan 8.190 nan 0.000 0.485 62 V N 5.862 125.776 119.914 0.001 0.000 2.448 62 V HA 0.588 4.708 4.120 -0.000 0.000 0.295 62 V C -0.183 175.960 176.094 0.082 0.000 1.025 62 V CA -0.872 61.454 62.300 0.043 0.000 0.859 62 V CB 1.668 33.507 31.823 0.027 0.000 0.988 62 V HN 0.748 nan 8.190 nan 0.000 0.431 63 M N 4.972 124.610 119.600 0.064 0.000 2.241 63 M HA 0.530 5.010 4.480 -0.000 0.000 0.335 63 M C 0.245 176.594 176.300 0.082 0.000 1.122 63 M CA 0.127 55.461 55.300 0.056 0.000 1.164 63 M CB 1.436 34.037 32.600 0.002 0.000 1.459 63 M HN 0.856 nan 8.290 nan 0.000 0.461 64 K N 0.663 121.131 120.400 0.112 0.000 3.668 64 K HA 0.122 4.442 4.320 -0.000 0.000 0.305 64 K C -0.328 176.309 176.600 0.060 0.000 1.158 64 K CA -0.224 56.113 56.287 0.084 0.000 1.442 64 K CB -0.429 32.135 32.500 0.106 0.000 3.241 64 K HN 0.509 nan 8.250 nan 0.000 0.985 65 D N 2.463 122.917 120.400 0.089 0.000 2.948 65 D HA -0.030 4.610 4.640 -0.000 0.000 0.241 65 D C -0.061 176.254 176.300 0.025 0.000 1.198 65 D CA 0.369 54.401 54.000 0.053 0.000 0.926 65 D CB -1.476 39.367 40.800 0.071 0.000 1.151 65 D HN 0.493 nan 8.370 nan 0.000 0.441 66 N N 0.461 119.161 118.700 0.001 0.000 2.710 66 N HA -0.260 4.480 4.740 -0.000 0.000 0.249 66 N C -1.043 174.411 175.510 -0.093 0.000 1.059 66 N CA 0.890 53.903 53.050 -0.061 0.000 0.720 66 N CB -0.778 37.677 38.487 -0.054 0.000 0.983 66 N HN 0.308 nan 8.380 nan 0.000 0.544 67 K N -0.455 119.921 120.400 -0.040 0.000 2.328 67 K HA 0.766 5.086 4.320 -0.000 0.000 0.246 67 K C -0.765 175.763 176.600 -0.120 0.000 0.955 67 K CA -0.410 55.807 56.287 -0.115 0.000 0.817 67 K CB 1.707 34.144 32.500 -0.106 0.000 1.208 67 K HN 0.248 nan 8.250 nan 0.000 0.432 68 A N 2.056 124.710 122.820 -0.276 0.000 2.312 68 A HA 0.626 4.946 4.320 -0.000 0.000 0.326 68 A C -1.679 175.629 177.584 -0.460 0.000 1.172 68 A CA -0.513 51.368 52.037 -0.259 0.000 0.821 68 A CB 0.297 19.093 19.000 -0.340 0.000 1.166 68 A HN 0.634 nan 8.150 nan 0.000 0.493 69 W N 0.694 121.853 121.300 -0.234 0.000 2.761 69 W HA 0.577 5.237 4.660 -0.000 0.000 0.340 69 W C -0.345 175.996 176.519 -0.296 0.000 1.072 69 W CA -0.545 56.660 57.345 -0.234 0.000 1.215 69 W CB 2.065 31.424 29.460 -0.168 0.000 1.420 69 W HN 0.733 nan 8.180 nan 0.000 0.519 70 V N -0.352 119.505 119.914 -0.095 0.000 3.007 70 V HA 0.739 4.859 4.120 -0.000 0.000 0.311 70 V C 0.097 176.165 176.094 -0.043 0.000 1.120 70 V CA -1.370 60.779 62.300 -0.252 0.000 0.980 70 V CB 1.044 32.441 31.823 -0.711 0.000 1.033 70 V HN 0.641 nan 8.190 nan 0.000 0.429 71 S N 1.116 116.834 115.700 0.030 0.000 2.563 71 S HA 0.025 4.495 4.470 -0.000 0.000 0.284 71 S C 0.810 175.477 174.600 0.112 0.000 1.331 71 S CA 0.506 58.760 58.200 0.090 0.000 1.047 71 S CB 0.551 63.822 63.200 0.120 0.000 0.859 71 S HN 1.234 nan 8.310 nan 0.000 0.514 72 D N 0.775 121.232 120.400 0.094 0.000 2.384 72 D HA -0.109 4.530 4.640 -0.000 0.000 0.222 72 D C 1.141 177.492 176.300 0.086 0.000 0.976 72 D CA 1.279 55.334 54.000 0.091 0.000 0.915 72 D CB -0.554 40.313 40.800 0.111 0.000 0.896 72 D HN 0.617 nan 8.370 nan 0.000 0.523 73 T N -1.886 112.728 114.554 0.100 0.000 3.044 73 T HA 0.128 4.478 4.350 -0.000 0.000 0.260 73 T C 0.855 175.601 174.700 0.077 0.000 1.019 73 T CA -0.588 61.553 62.100 0.068 0.000 0.921 73 T CB -0.673 68.227 68.868 0.053 0.000 1.053 73 T HN 0.099 nan 8.240 nan 0.000 0.533 74 F N 1.767 121.703 119.950 -0.022 0.000 2.060 74 F HA 0.111 4.638 4.527 -0.000 0.000 0.295 74 F C 1.765 177.552 175.800 -0.021 0.000 1.120 74 F CA 1.397 59.383 58.000 -0.024 0.000 1.205 74 F CB -0.303 38.682 39.000 -0.026 0.000 0.986 74 F HN 0.125 nan 8.300 nan 0.000 0.470 75 I N 0.858 121.459 120.570 0.051 0.000 2.113 75 I HA -0.427 3.743 4.170 -0.000 0.000 0.242 75 I C 2.524 178.543 176.117 -0.163 0.000 1.064 75 I CA 2.079 63.318 61.300 -0.101 0.000 1.320 75 I CB -0.921 36.891 38.000 -0.314 0.000 1.028 75 I HN 0.416 nan 8.210 nan 0.000 0.406 76 N N 1.050 119.663 118.700 -0.145 0.000 2.104 76 N HA -0.227 4.513 4.740 -0.000 0.000 0.190 76 N C 1.323 176.771 175.510 -0.102 0.000 1.024 76 N CA 2.055 55.042 53.050 -0.104 0.000 0.853 76 N CB -0.128 38.320 38.487 -0.064 0.000 1.008 76 N HN 0.298 nan 8.380 nan 0.000 0.424 77 D N -0.197 120.117 120.400 -0.143 0.000 2.219 77 D HA -0.036 4.603 4.640 -0.000 0.000 0.205 77 D C 1.953 178.112 176.300 -0.234 0.000 0.970 77 D CA 0.481 54.388 54.000 -0.155 0.000 0.851 77 D CB 0.185 40.907 40.800 -0.130 0.000 0.943 77 D HN 0.136 nan 8.370 nan 0.000 0.488 78 V N -0.468 119.212 119.914 -0.390 0.000 2.403 78 V HA -0.048 4.072 4.120 -0.000 0.000 0.239 78 V C 1.745 177.601 176.094 -0.396 0.000 1.041 78 V CA 0.901 62.891 62.300 -0.516 0.000 1.051 78 V CB -0.406 30.851 31.823 -0.942 0.000 0.704 78 V HN 0.054 nan 8.190 nan 0.000 0.472 79 F N -0.198 119.619 119.950 -0.222 0.000 2.293 79 F HA -0.012 4.515 4.527 -0.000 0.000 0.297 79 F C 2.112 177.890 175.800 -0.036 0.000 1.089 79 F CA 0.883 58.833 58.000 -0.083 0.000 1.377 79 F CB -0.108 38.861 39.000 -0.052 0.000 1.051 79 F HN 0.117 nan 8.300 nan 0.000 0.511 80 Q N -0.007 119.848 119.800 0.092 0.000 2.217 80 Q HA 0.059 4.399 4.340 -0.000 0.000 0.226 80 Q C 1.724 177.732 176.000 0.014 0.000 0.875 80 Q CA 0.142 55.978 55.803 0.056 0.000 0.974 80 Q CB -0.104 28.650 28.738 0.027 0.000 1.079 80 Q HN 0.283 nan 8.270 nan 0.000 0.463 81 S N -2.622 113.072 115.700 -0.011 0.000 2.470 81 S HA 0.167 4.636 4.470 -0.000 0.000 0.225 81 S C 1.574 176.170 174.600 -0.007 0.000 1.006 81 S CA 0.582 58.762 58.200 -0.033 0.000 0.934 81 S CB 0.302 63.455 63.200 -0.079 0.000 0.778 81 S HN 0.472 nan 8.310 nan 0.000 0.517 82 G N 0.996 109.806 108.800 0.018 0.000 2.195 82 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.224 82 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.224 82 G C 0.643 175.558 174.900 0.025 0.000 0.990 82 G CA 0.260 45.378 45.100 0.030 0.000 0.639 82 G HN 0.475 nan 8.290 nan 0.000 0.514 83 L N 0.643 121.871 121.223 0.008 0.000 2.313 83 L HA 0.175 4.515 4.340 -0.000 0.000 0.214 83 L C 1.073 177.957 176.870 0.024 0.000 1.119 83 L CA 0.820 55.663 54.840 0.005 0.000 0.809 83 L CB -0.085 41.962 42.059 -0.020 0.000 0.933 83 L HN 0.239 nan 8.230 nan 0.000 0.449 84 D N 0.513 120.940 120.400 0.046 0.000 2.339 84 D HA 0.045 4.685 4.640 -0.000 0.000 0.241 84 D C 0.569 176.930 176.300 0.101 0.000 1.183 84 D CA 0.146 54.197 54.000 0.087 0.000 0.859 84 D CB 1.137 42.023 40.800 0.143 0.000 1.067 84 D HN 0.127 nan 8.370 nan 0.000 0.484 85 Q N 1.884 121.726 119.800 0.069 0.000 2.319 85 Q HA 0.039 4.379 4.340 -0.000 0.000 0.202 85 Q C 1.341 177.370 176.000 0.049 0.000 0.896 85 Q CA 0.067 55.905 55.803 0.058 0.000 0.942 85 Q CB 0.559 29.314 28.738 0.029 0.000 1.083 85 Q HN 0.501 nan 8.270 nan 0.000 0.510 86 T N 0.504 115.091 114.554 0.055 0.000 2.699 86 T HA -0.126 4.224 4.350 -0.000 0.000 0.268 86 T C 0.214 174.812 174.700 -0.170 0.000 1.036 86 T CA 1.249 63.314 62.100 -0.058 0.000 1.147 86 T CB -0.069 68.794 68.868 -0.009 0.000 0.862 86 T HN 0.091 nan 8.240 nan 0.000 0.446 87 F N 1.752 121.745 119.950 0.071 0.000 2.411 87 F HA 0.439 4.966 4.527 -0.000 0.000 0.352 87 F C 0.411 176.240 175.800 0.049 0.000 1.123 87 F CA -1.061 56.976 58.000 0.062 0.000 1.044 87 F CB 1.204 40.241 39.000 0.062 0.000 1.135 87 F HN -0.141 nan 8.300 nan 0.000 0.461 88 Q N 2.422 122.324 119.800 0.170 0.000 2.297 88 Q HA 0.523 4.863 4.340 -0.000 0.000 0.268 88 Q C -0.545 175.527 176.000 0.120 0.000 1.045 88 Q CA -1.076 54.799 55.803 0.120 0.000 0.861 88 Q CB 2.778 31.558 28.738 0.069 0.000 1.344 88 Q HN 0.562 nan 8.270 nan 0.000 0.452 89 V N -1.483 118.486 119.914 0.091 0.000 2.686 89 V HA 0.246 4.366 4.120 -0.000 0.000 0.295 89 V C 0.109 176.248 176.094 0.075 0.000 1.055 89 V CA -0.390 61.958 62.300 0.080 0.000 1.050 89 V CB 0.952 32.812 31.823 0.062 0.000 0.984 89 V HN 0.838 nan 8.190 nan 0.000 0.482 90 E N 3.845 124.092 120.200 0.079 0.000 1.993 90 E HA 0.277 4.626 4.350 -0.000 0.000 0.271 90 E C 0.560 177.210 176.600 0.083 0.000 1.008 90 E CA -0.467 55.986 56.400 0.089 0.000 0.814 90 E CB 0.751 30.509 29.700 0.097 0.000 1.098 90 E HN 0.808 nan 8.360 nan 0.000 0.407 91 K N 2.870 123.318 120.400 0.080 0.000 2.116 91 K HA 0.021 4.341 4.320 -0.000 0.000 0.203 91 K C 0.318 176.971 176.600 0.087 0.000 1.052 91 K CA 0.718 57.046 56.287 0.069 0.000 0.952 91 K CB 0.242 32.775 32.500 0.054 0.000 0.729 91 K HN 0.302 nan 8.250 nan 0.000 0.446 92 R N 2.117 122.694 120.500 0.128 0.000 2.272 92 R HA 0.217 4.557 4.340 -0.000 0.000 0.323 92 R C -2.563 173.871 176.300 0.224 0.000 1.002 92 R CA -1.867 54.342 56.100 0.182 0.000 0.900 92 R CB 1.095 31.533 30.300 0.229 0.000 1.151 92 R HN 0.015 nan 8.270 nan 0.000 0.507 93 P HA -0.096 nan 4.420 nan 0.000 0.268 93 P C -0.615 176.629 177.300 -0.093 0.000 1.204 93 P CA 0.127 63.262 63.100 0.058 0.000 0.768 93 P CB 0.592 32.299 31.700 0.012 0.000 0.842 94 H N 5.908 124.859 119.070 -0.198 0.000 2.815 94 H HA 0.059 4.615 4.556 -0.000 0.000 0.350 94 H C -1.415 173.572 175.328 -0.567 0.000 1.080 94 H CA -1.312 54.386 56.048 -0.583 0.000 1.433 94 H CB 0.878 30.559 29.762 -0.135 0.000 1.432 94 H HN 0.250 nan 8.280 nan 0.000 0.592 95 P HA -0.039 nan 4.420 nan 0.000 0.229 95 P C 1.281 178.474 177.300 -0.179 0.000 1.160 95 P CA 0.655 63.516 63.100 -0.399 0.000 0.777 95 P CB 0.409 31.834 31.700 -0.457 0.000 0.814 96 L N -0.856 120.333 121.223 -0.057 0.000 2.591 96 L HA 0.103 4.443 4.340 -0.000 0.000 0.228 96 L C 0.760 177.563 176.870 -0.112 0.000 1.133 96 L CA -0.181 54.548 54.840 -0.184 0.000 0.880 96 L CB -1.073 40.744 42.059 -0.403 0.000 1.033 96 L HN -0.035 nan 8.230 nan 0.000 0.450 97 N N 0.919 119.617 118.700 -0.003 0.000 2.353 97 N HA 0.134 4.874 4.740 -0.000 0.000 0.248 97 N C 0.423 175.948 175.510 0.025 0.000 1.240 97 N CA -0.173 52.933 53.050 0.094 0.000 0.862 97 N CB 0.755 39.285 38.487 0.071 0.000 1.086 97 N HN 0.193 nan 8.380 nan 0.000 0.453 98 A N 2.519 125.349 122.820 0.016 0.000 2.346 98 A HA 0.234 4.553 4.320 -0.000 0.000 0.252 98 A C 0.351 177.926 177.584 -0.015 0.000 1.089 98 A CA -0.507 51.523 52.037 -0.013 0.000 0.797 98 A CB 0.186 19.169 19.000 -0.028 0.000 1.047 98 A HN 0.628 nan 8.150 nan 0.000 0.494 99 L N 1.565 122.777 121.223 -0.018 0.000 2.578 99 L HA 0.077 4.417 4.340 -0.000 0.000 0.279 99 L C 1.420 178.277 176.870 -0.021 0.000 1.227 99 L CA 0.019 54.847 54.840 -0.019 0.000 0.900 99 L CB -0.413 41.633 42.059 -0.021 0.000 1.144 99 L HN 0.961 nan 8.230 nan 0.000 0.496 100 T N -0.003 114.539 114.554 -0.020 0.000 2.754 100 T HA 0.337 4.687 4.350 -0.000 0.000 0.286 100 T C 1.274 175.958 174.700 -0.027 0.000 0.997 100 T CA -0.229 61.859 62.100 -0.020 0.000 0.982 100 T CB 1.378 70.237 68.868 -0.015 0.000 1.027 100 T HN 0.621 nan 8.240 nan 0.000 0.529 101 A N 0.701 123.505 122.820 -0.026 0.000 1.908 101 A HA -0.103 4.217 4.320 -0.000 0.000 0.218 101 A C 2.029 179.591 177.584 -0.037 0.000 1.181 101 A CA 1.902 53.919 52.037 -0.032 0.000 0.627 101 A CB -1.140 17.844 19.000 -0.027 0.000 0.818 101 A HN 0.894 nan 8.150 nan 0.000 0.445 102 D N -0.366 120.017 120.400 -0.030 0.000 2.097 102 D HA -0.108 4.531 4.640 -0.000 0.000 0.197 102 D C 1.983 178.263 176.300 -0.034 0.000 0.984 102 D CA 1.444 55.426 54.000 -0.030 0.000 0.826 102 D CB -0.446 40.342 40.800 -0.021 0.000 0.973 102 D HN 0.641 nan 8.370 nan 0.000 0.460 103 E N 0.166 120.349 120.200 -0.029 0.000 2.118 103 E HA -0.153 4.197 4.350 -0.000 0.000 0.195 103 E C 2.319 178.893 176.600 -0.043 0.000 0.992 103 E CA 0.509 56.892 56.400 -0.029 0.000 0.804 103 E CB -0.071 29.615 29.700 -0.022 0.000 0.741 103 E HN 0.325 nan 8.360 nan 0.000 0.458 104 I N 1.224 121.761 120.570 -0.054 0.000 2.127 104 I HA -0.313 3.857 4.170 -0.000 0.000 0.241 104 I C 2.365 178.415 176.117 -0.112 0.000 1.075 104 I CA 1.338 62.588 61.300 -0.083 0.000 1.334 104 I CB -0.215 37.733 38.000 -0.086 0.000 1.040 104 I HN 0.027 nan 8.210 nan 0.000 0.405 105 K N 0.107 120.452 120.400 -0.093 0.000 2.147 105 K HA -0.245 4.075 4.320 -0.000 0.000 0.205 105 K C 2.143 178.693 176.600 -0.083 0.000 1.049 105 K CA 1.263 57.492 56.287 -0.097 0.000 0.936 105 K CB -0.205 32.252 32.500 -0.070 0.000 0.722 105 K HN 0.414 nan 8.250 nan 0.000 0.446 106 Q N 0.433 120.197 119.800 -0.060 0.000 2.046 106 Q HA -0.131 4.209 4.340 -0.000 0.000 0.200 106 Q C 2.073 178.049 176.000 -0.039 0.000 0.975 106 Q CA 1.463 57.240 55.803 -0.042 0.000 0.836 106 Q CB -0.075 28.647 28.738 -0.027 0.000 0.896 106 Q HN 0.327 nan 8.270 nan 0.000 0.428 107 A N -0.179 122.615 122.820 -0.042 0.000 1.972 107 A HA -0.117 4.203 4.320 -0.000 0.000 0.219 107 A C 2.134 179.704 177.584 -0.023 0.000 1.169 107 A CA 1.327 53.353 52.037 -0.018 0.000 0.635 107 A CB -0.483 18.508 19.000 -0.016 0.000 0.810 107 A HN 0.303 nan 8.150 nan 0.000 0.446 108 V N -0.145 119.705 119.914 -0.106 0.000 2.453 108 V HA -0.223 3.896 4.120 -0.000 0.000 0.247 108 V C 2.334 178.376 176.094 -0.087 0.000 1.048 108 V CA 2.139 64.347 62.300 -0.152 0.000 1.049 108 V CB -0.712 30.909 31.823 -0.337 0.000 0.672 108 V HN 0.637 nan 8.190 nan 0.000 0.457 109 E N 0.070 120.223 120.200 -0.079 0.000 2.072 109 E HA -0.162 4.187 4.350 -0.000 0.000 0.191 109 E C 2.170 178.745 176.600 -0.041 0.000 0.985 109 E CA 1.348 57.706 56.400 -0.071 0.000 0.801 109 E CB -0.188 29.480 29.700 -0.055 0.000 0.750 109 E HN 0.541 nan 8.360 nan 0.000 0.452 110 I N 1.009 121.579 120.570 0.000 0.000 2.127 110 I HA -0.285 3.885 4.170 -0.000 0.000 0.241 110 I C 2.620 178.788 176.117 0.085 0.000 1.075 110 I CA 1.282 62.606 61.300 0.039 0.000 1.334 110 I CB -0.559 37.475 38.000 0.057 0.000 1.040 110 I HN 0.106 nan 8.210 nan 0.000 0.405 111 V N -1.348 118.653 119.914 0.145 0.000 2.427 111 V HA -0.218 3.902 4.120 -0.000 0.000 0.248 111 V C 2.175 178.308 176.094 0.064 0.000 1.051 111 V CA 1.541 64.024 62.300 0.304 0.000 1.048 111 V CB -0.946 31.180 31.823 0.505 0.000 0.666 111 V HN 0.350 nan 8.190 nan 0.000 0.456 112 K N 0.960 121.195 120.400 -0.277 0.000 2.362 112 K HA 0.176 4.496 4.320 -0.000 0.000 0.200 112 K C 2.189 178.661 176.600 -0.214 0.000 1.046 112 K CA 1.119 57.036 56.287 -0.616 0.000 0.952 112 K CB -0.291 31.867 32.500 -0.569 0.000 0.753 112 K HN 0.626 nan 8.250 nan 0.000 0.466 113 A N 0.981 123.750 122.820 -0.085 0.000 2.072 113 A HA -0.013 4.307 4.320 -0.000 0.000 0.216 113 A C 1.216 178.785 177.584 -0.026 0.000 1.156 113 A CA 0.280 52.292 52.037 -0.040 0.000 0.701 113 A CB -0.011 18.975 19.000 -0.023 0.000 0.816 113 A HN 0.215 nan 8.150 nan 0.000 0.458 114 S N -0.945 114.746 115.700 -0.015 0.000 2.593 114 S HA 0.431 4.901 4.470 -0.000 0.000 0.269 114 S C 1.260 175.796 174.600 -0.106 0.000 1.334 114 S CA 0.066 58.209 58.200 -0.095 0.000 1.015 114 S CB 1.207 64.273 63.200 -0.223 0.000 0.912 114 S HN 0.757 nan 8.310 nan 0.000 0.541 115 A N 2.582 125.304 122.820 -0.164 0.000 2.016 115 A HA 0.054 4.374 4.320 -0.000 0.000 0.217 115 A C 1.669 179.147 177.584 -0.177 0.000 1.162 115 A CA 1.110 53.072 52.037 -0.125 0.000 0.662 115 A CB -0.619 18.311 19.000 -0.116 0.000 0.812 115 A HN 0.884 nan 8.150 nan 0.000 0.450 116 D N -0.930 119.235 120.400 -0.392 0.000 2.263 116 D HA -0.077 4.562 4.640 -0.000 0.000 0.208 116 D C 0.304 176.452 176.300 -0.253 0.000 0.971 116 D CA 0.430 54.126 54.000 -0.506 0.000 0.867 116 D CB -0.285 39.791 40.800 -1.208 0.000 0.929 116 D HN 0.428 nan 8.370 nan 0.000 0.492 117 F N 2.496 122.296 119.950 -0.249 0.000 2.533 117 F HA 0.020 4.547 4.527 -0.000 0.000 0.378 117 F C 0.767 176.602 175.800 0.058 0.000 1.070 117 F CA -0.103 57.942 58.000 0.075 0.000 1.172 117 F CB 0.322 39.401 39.000 0.132 0.000 1.085 117 F HN -0.440 nan 8.300 nan 0.000 0.552 118 K N 8.257 128.403 120.400 -0.423 0.000 2.143 118 K HA 0.194 4.514 4.320 -0.000 0.000 0.272 118 K C -1.649 174.782 176.600 -0.281 0.000 1.001 118 K CA -1.525 54.612 56.287 -0.249 0.000 0.915 118 K CB 1.304 33.688 32.500 -0.193 0.000 1.047 118 K HN 0.314 nan 8.250 nan 0.000 0.458 119 P HA -0.192 nan 4.420 nan 0.000 0.217 119 P C 0.049 177.397 177.300 0.080 0.000 1.158 119 P CA 1.745 64.902 63.100 0.096 0.000 0.887 119 P CB 0.167 31.905 31.700 0.063 0.000 0.792 120 N N -2.230 116.467 118.700 -0.006 0.000 2.320 120 N HA 0.075 4.815 4.740 -0.000 0.000 0.237 120 N C -0.523 174.972 175.510 -0.026 0.000 1.129 120 N CA -0.104 52.959 53.050 0.022 0.000 0.854 120 N CB -0.092 38.413 38.487 0.032 0.000 1.083 120 N HN 0.020 nan 8.380 nan 0.000 0.504 121 T N 1.297 115.758 114.554 -0.154 0.000 2.902 121 T HA 0.090 4.440 4.350 -0.000 0.000 0.301 121 T C 0.699 175.268 174.700 -0.219 0.000 1.012 121 T CA 0.421 62.341 62.100 -0.301 0.000 1.151 121 T CB 0.660 69.088 68.868 -0.734 0.000 0.946 121 T HN 0.167 nan 8.240 nan 0.000 0.542 122 R N 1.171 121.544 120.500 -0.212 0.000 2.797 122 R HA 0.581 4.921 4.340 -0.000 0.000 0.251 122 R C -0.895 175.185 176.300 -0.366 0.000 1.107 122 R CA -0.751 55.286 56.100 -0.104 0.000 1.084 122 R CB 0.928 31.342 30.300 0.190 0.000 1.205 122 R HN 0.473 nan 8.270 nan 0.000 0.515 123 F N 0.333 120.377 119.950 0.157 0.000 2.366 123 F HA 0.175 4.701 4.527 -0.000 0.000 0.366 123 F C 1.436 177.313 175.800 0.129 0.000 1.096 123 F CA -0.618 57.455 58.000 0.122 0.000 1.060 123 F CB 1.658 40.720 39.000 0.103 0.000 1.282 123 F HN 0.645 nan 8.300 nan 0.000 0.450 124 T N -1.594 113.084 114.554 0.207 0.000 2.821 124 T HA -0.064 4.286 4.350 -0.000 0.000 0.267 124 T C 0.443 175.241 174.700 0.163 0.000 1.046 124 T CA 0.933 63.133 62.100 0.165 0.000 1.139 124 T CB 0.149 69.084 68.868 0.112 0.000 0.871 124 T HN 0.575 nan 8.240 nan 0.000 0.454 125 E N -0.562 119.741 120.200 0.172 0.000 2.363 125 E HA 0.546 4.896 4.350 -0.000 0.000 0.281 125 E C -1.993 174.694 176.600 0.145 0.000 0.953 125 E CA -0.841 55.641 56.400 0.136 0.000 0.778 125 E CB 1.817 31.570 29.700 0.089 0.000 1.220 125 E HN 0.352 nan 8.360 nan 0.000 0.431 126 I N 3.760 124.391 120.570 0.102 0.000 2.493 126 I HA 0.325 4.495 4.170 -0.000 0.000 0.279 126 I C -0.833 175.306 176.117 0.037 0.000 1.045 126 I CA -0.386 60.955 61.300 0.068 0.000 1.106 126 I CB 1.476 39.482 38.000 0.010 0.000 1.216 126 I HN 0.487 nan 8.210 nan 0.000 0.459 127 S N 5.033 120.756 115.700 0.038 0.000 2.618 127 S HA 0.619 5.089 4.470 -0.000 0.000 0.277 127 S C -0.742 173.866 174.600 0.014 0.000 1.138 127 S CA -0.950 57.262 58.200 0.020 0.000 0.844 127 S CB 2.156 65.369 63.200 0.021 0.000 1.127 127 S HN 0.439 nan 8.310 nan 0.000 0.474 128 L N 1.482 122.705 121.223 -0.001 0.000 2.578 128 L HA 0.305 4.645 4.340 -0.000 0.000 0.279 128 L C -0.441 176.430 176.870 0.001 0.000 1.227 128 L CA -0.032 54.804 54.840 -0.006 0.000 0.900 128 L CB 0.053 42.099 42.059 -0.021 0.000 1.144 128 L HN 0.705 nan 8.230 nan 0.000 0.496 129 L N 8.954 130.181 121.223 0.006 0.000 2.255 129 L HA 0.573 4.912 4.340 -0.000 0.000 0.289 129 L C -2.199 174.673 176.870 0.003 0.000 1.046 129 L CA -1.478 53.368 54.840 0.011 0.000 0.816 129 L CB 0.453 42.525 42.059 0.021 0.000 1.197 129 L HN 0.537 nan 8.230 nan 0.000 0.427 130 P HA 0.320 nan 4.420 nan 0.000 0.274 130 P C -2.655 174.651 177.300 0.010 0.000 1.231 130 P CA -1.167 61.930 63.100 -0.005 0.000 0.790 130 P CB -0.163 31.540 31.700 0.006 0.000 0.951 131 P HA 0.068 nan 4.420 nan 0.000 0.274 131 P C -0.326 176.990 177.300 0.026 0.000 1.260 131 P CA -0.106 62.996 63.100 0.004 0.000 0.793 131 P CB 0.107 31.796 31.700 -0.019 0.000 1.048 132 D N 0.200 120.617 120.400 0.029 0.000 2.423 132 D HA -0.059 4.581 4.640 -0.000 0.000 0.238 132 D C 1.010 177.306 176.300 -0.007 0.000 1.142 132 D CA -0.245 53.778 54.000 0.039 0.000 0.884 132 D CB 0.739 41.564 40.800 0.042 0.000 1.199 132 D HN 0.488 nan 8.370 nan 0.000 0.438 133 K N 1.287 121.637 120.400 -0.083 0.000 2.113 133 K HA -0.298 4.022 4.320 -0.000 0.000 0.208 133 K C 1.673 178.122 176.600 -0.251 0.000 1.047 133 K CA 1.617 57.667 56.287 -0.396 0.000 0.928 133 K CB -0.164 31.724 32.500 -1.019 0.000 0.716 133 K HN 0.613 nan 8.250 nan 0.000 0.446 134 E N 0.818 120.969 120.200 -0.083 0.000 2.110 134 E HA -0.192 4.158 4.350 -0.000 0.000 0.193 134 E C 1.947 178.596 176.600 0.082 0.000 0.988 134 E CA 1.100 57.521 56.400 0.036 0.000 0.804 134 E CB -0.156 29.560 29.700 0.027 0.000 0.745 134 E HN 0.490 nan 8.360 nan 0.000 0.458 135 A N 0.709 123.557 122.820 0.047 0.000 1.929 135 A HA -0.072 4.248 4.320 -0.000 0.000 0.216 135 A C 2.409 180.039 177.584 0.077 0.000 1.176 135 A CA 1.157 53.230 52.037 0.061 0.000 0.628 135 A CB -0.576 18.445 19.000 0.034 0.000 0.816 135 A HN 0.213 nan 8.150 nan 0.000 0.444 136 V N -1.851 118.081 119.914 0.031 0.000 2.255 136 V HA -0.323 3.797 4.120 -0.000 0.000 0.247 136 V C 2.240 178.407 176.094 0.122 0.000 1.051 136 V CA 1.986 64.288 62.300 0.003 0.000 1.018 136 V CB -1.085 30.737 31.823 -0.003 0.000 0.641 136 V HN 0.804 nan 8.190 nan 0.000 0.445 137 W N -0.200 121.154 121.300 0.090 0.000 2.325 137 W HA -0.245 4.415 4.660 -0.000 0.000 0.299 137 W C 2.517 179.074 176.519 0.064 0.000 1.215 137 W CA 1.011 58.407 57.345 0.084 0.000 1.244 137 W CB -0.194 29.265 29.460 -0.001 0.000 1.140 137 W HN 0.252 nan 8.180 nan 0.000 0.523 138 A N -0.773 122.227 122.820 0.300 0.000 1.968 138 A HA -0.173 4.146 4.320 -0.000 0.000 0.217 138 A C 1.577 179.253 177.584 0.152 0.000 1.169 138 A CA 1.208 53.352 52.037 0.178 0.000 0.638 138 A CB -1.119 17.952 19.000 0.118 0.000 0.812 138 A HN 0.400 nan 8.150 nan 0.000 0.446 139 F N 1.192 121.157 119.950 0.025 0.000 2.075 139 F HA -0.074 4.453 4.527 -0.000 0.000 0.297 139 F C 2.390 178.190 175.800 -0.001 0.000 1.113 139 F CA 1.580 59.560 58.000 -0.034 0.000 1.218 139 F CB -0.370 38.543 39.000 -0.145 0.000 0.984 139 F HN 0.215 nan 8.300 nan 0.000 0.472 140 A N 0.048 122.987 122.820 0.199 0.000 2.014 140 A HA 0.012 4.332 4.320 -0.000 0.000 0.218 140 A C 2.131 179.792 177.584 0.127 0.000 1.163 140 A CA 1.496 53.638 52.037 0.175 0.000 0.652 140 A CB -0.824 18.411 19.000 0.391 0.000 0.808 140 A HN 0.530 nan 8.150 nan 0.000 0.449 141 L N -2.126 119.188 121.223 0.152 0.000 2.357 141 L HA 0.138 4.478 4.340 -0.000 0.000 0.211 141 L C 1.559 178.427 176.870 -0.004 0.000 1.075 141 L CA 0.733 55.622 54.840 0.082 0.000 0.830 141 L CB 0.129 42.236 42.059 0.079 0.000 0.996 141 L HN 0.300 nan 8.230 nan 0.000 0.467 142 E N -1.115 119.068 120.200 -0.029 0.000 2.676 142 E HA 0.129 4.479 4.350 -0.000 0.000 0.222 142 E C -0.242 176.299 176.600 -0.098 0.000 0.968 142 E CA -0.162 56.210 56.400 -0.047 0.000 1.090 142 E CB 0.629 30.320 29.700 -0.015 0.000 1.066 142 E HN 0.147 nan 8.360 nan 0.000 0.496 143 N N 1.426 120.002 118.700 -0.207 0.000 2.708 143 N HA -0.206 4.534 4.740 -0.000 0.000 0.251 143 N C -0.336 175.070 175.510 -0.174 0.000 1.123 143 N CA 0.924 53.768 53.050 -0.344 0.000 0.739 143 N CB -0.801 37.535 38.487 -0.252 0.000 1.113 143 N HN 0.113 nan 8.380 nan 0.000 0.561 144 K N 2.203 122.568 120.400 -0.059 0.000 2.338 144 K HA 0.175 4.494 4.320 -0.000 0.000 0.290 144 K C -2.095 174.581 176.600 0.126 0.000 1.069 144 K CA -1.208 55.099 56.287 0.034 0.000 0.941 144 K CB 0.694 33.220 32.500 0.043 0.000 1.023 144 K HN 0.029 nan 8.250 nan 0.000 0.477 145 P HA -0.058 nan 4.420 nan 0.000 0.269 145 P C -0.572 176.793 177.300 0.108 0.000 1.209 145 P CA -0.277 62.923 63.100 0.166 0.000 0.776 145 P CB 0.693 32.457 31.700 0.106 0.000 0.876 146 V N 3.348 123.310 119.914 0.080 0.000 2.555 146 V HA -0.027 4.093 4.120 -0.000 0.000 0.286 146 V C 1.210 177.318 176.094 0.022 0.000 1.044 146 V CA 0.439 62.758 62.300 0.031 0.000 1.026 146 V CB 0.374 32.181 31.823 -0.026 0.000 0.981 146 V HN 0.506 nan 8.190 nan 0.000 0.480 147 D N 2.336 122.749 120.400 0.022 0.000 2.077 147 D HA -0.079 4.561 4.640 -0.000 0.000 0.196 147 D C 0.835 177.141 176.300 0.011 0.000 0.986 147 D CA 0.798 54.809 54.000 0.018 0.000 0.829 147 D CB -0.285 40.527 40.800 0.020 0.000 0.983 147 D HN 0.694 nan 8.370 nan 0.000 0.453 148 Q N 1.567 121.371 119.800 0.007 0.000 2.492 148 Q HA 0.019 4.359 4.340 -0.000 0.000 0.366 148 Q C -2.077 173.921 176.000 -0.003 0.000 1.172 148 Q CA 0.037 55.842 55.803 0.003 0.000 1.089 148 Q CB -0.077 28.662 28.738 0.001 0.000 1.174 148 Q HN 0.230 nan 8.270 nan 0.000 0.421 149 P HA 0.168 nan 4.420 nan 0.000 0.278 149 P C -0.916 176.380 177.300 -0.006 0.000 1.266 149 P CA -0.560 62.539 63.100 -0.002 0.000 0.807 149 P CB 0.779 32.482 31.700 0.005 0.000 1.094 150 R N 1.657 122.151 120.500 -0.009 0.000 2.351 150 R HA 0.209 4.548 4.340 -0.000 0.000 0.318 150 R C 0.444 176.743 176.300 -0.001 0.000 1.055 150 R CA 0.308 56.401 56.100 -0.011 0.000 0.968 150 R CB -0.176 30.116 30.300 -0.013 0.000 0.974 150 R HN 0.495 nan 8.270 nan 0.000 0.439 151 K N 0.946 121.347 120.400 0.002 0.000 2.258 151 K HA 0.750 5.069 4.320 -0.000 0.000 0.236 151 K C -0.642 175.966 176.600 0.012 0.000 1.008 151 K CA -0.787 55.508 56.287 0.012 0.000 0.869 151 K CB 2.045 34.556 32.500 0.018 0.000 1.171 151 K HN 0.572 nan 8.250 nan 0.000 0.447 152 A N 1.028 123.862 122.820 0.023 0.000 2.515 152 A HA 0.373 4.693 4.320 -0.000 0.000 0.298 152 A C -1.578 176.029 177.584 0.038 0.000 1.059 152 A CA -0.844 51.207 52.037 0.024 0.000 0.698 152 A CB 1.113 20.125 19.000 0.020 0.000 1.289 152 A HN 0.654 nan 8.150 nan 0.000 0.404 153 D N 1.240 121.664 120.400 0.040 0.000 2.249 153 D HA 0.447 5.087 4.640 -0.000 0.000 0.246 153 D C -0.816 175.524 176.300 0.066 0.000 1.114 153 D CA 0.252 54.283 54.000 0.051 0.000 0.854 153 D CB 1.831 42.663 40.800 0.053 0.000 1.132 153 D HN 0.163 nan 8.370 nan 0.000 0.461 154 V N 4.500 124.457 119.914 0.073 0.000 2.349 154 V HA 0.264 4.384 4.120 -0.000 0.000 0.284 154 V C -0.093 176.049 176.094 0.081 0.000 1.014 154 V CA -0.807 61.566 62.300 0.122 0.000 0.826 154 V CB 1.461 33.383 31.823 0.165 0.000 1.009 154 V HN 0.347 nan 8.190 nan 0.000 0.431 155 I N 5.650 126.287 120.570 0.111 0.000 2.354 155 I HA 0.575 4.745 4.170 -0.000 0.000 0.292 155 I C -0.068 176.070 176.117 0.035 0.000 0.989 155 I CA -0.560 60.773 61.300 0.056 0.000 1.188 155 I CB 1.402 39.469 38.000 0.112 0.000 1.342 155 I HN 0.527 nan 8.210 nan 0.000 0.457 156 M N 5.873 125.411 119.600 -0.103 0.000 2.602 156 M HA 0.507 4.987 4.480 -0.000 0.000 0.312 156 M C -1.094 175.092 176.300 -0.190 0.000 1.181 156 M CA -0.901 54.269 55.300 -0.218 0.000 0.910 156 M CB 2.991 35.385 32.600 -0.344 0.000 1.723 156 M HN 0.312 nan 8.290 nan 0.000 0.459 157 L N 2.408 123.511 121.223 -0.200 0.000 2.353 157 L HA 0.382 4.722 4.340 -0.000 0.000 0.270 157 L C -1.093 175.678 176.870 -0.165 0.000 1.003 157 L CA -0.150 54.604 54.840 -0.144 0.000 0.862 157 L CB 0.839 42.848 42.059 -0.083 0.000 1.221 157 L HN 0.532 nan 8.230 nan 0.000 0.430 158 D N 4.195 124.514 120.400 -0.135 0.000 2.468 158 D HA 0.495 5.135 4.640 -0.000 0.000 0.218 158 D C 1.170 177.451 176.300 -0.031 0.000 1.155 158 D CA 0.905 54.840 54.000 -0.107 0.000 0.924 158 D CB 0.488 41.238 40.800 -0.084 0.000 1.029 158 D HN 0.788 nan 8.370 nan 0.000 0.515 159 G N 5.100 113.860 108.800 -0.066 0.000 3.729 159 G HA2 -0.414 3.546 3.960 -0.000 0.000 0.327 159 G HA3 -0.414 3.546 3.960 -0.000 0.000 0.327 159 G C 0.958 175.772 174.900 -0.144 0.000 1.293 159 G CA 0.981 46.035 45.100 -0.076 0.000 1.011 159 G HN 0.650 nan 8.290 nan 0.000 0.673 160 K N 0.786 121.024 120.400 -0.270 0.000 2.402 160 K HA 0.253 4.573 4.320 -0.000 0.000 0.204 160 K C 0.078 176.403 176.600 -0.459 0.000 1.056 160 K CA -0.090 55.974 56.287 -0.373 0.000 1.069 160 K CB 0.335 32.572 32.500 -0.437 0.000 0.888 160 K HN 0.590 nan 8.250 nan 0.000 0.546 161 H N 1.858 120.831 119.070 -0.163 0.000 2.552 161 H HA 0.229 4.785 4.556 -0.000 0.000 0.311 161 H C -0.096 175.117 175.328 -0.192 0.000 1.071 161 H CA -0.645 55.297 56.048 -0.176 0.000 1.307 161 H CB 1.159 30.839 29.762 -0.136 0.000 1.416 161 H HN 0.042 nan 8.280 nan 0.000 0.464 162 I N 4.887 125.375 120.570 -0.137 0.000 2.474 162 I HA 0.164 4.334 4.170 -0.000 0.000 0.287 162 I C 0.628 176.631 176.117 -0.190 0.000 1.048 162 I CA -0.123 61.060 61.300 -0.196 0.000 1.383 162 I CB 0.593 38.380 38.000 -0.354 0.000 1.412 162 I HN 0.473 nan 8.210 nan 0.000 0.531 163 I N 5.423 125.860 120.570 -0.221 0.000 2.607 163 I HA 0.263 4.433 4.170 -0.000 0.000 0.290 163 I C -0.341 175.586 176.117 -0.317 0.000 1.129 163 I CA -0.521 60.581 61.300 -0.330 0.000 1.042 163 I CB 2.365 40.046 38.000 -0.531 0.000 1.242 163 I HN 0.464 nan 8.210 nan 0.000 0.421 164 E N 4.887 124.924 120.200 -0.271 0.000 2.145 164 E HA 0.723 5.073 4.350 -0.000 0.000 0.270 164 E C -0.907 175.561 176.600 -0.220 0.000 0.906 164 E CA -0.631 55.675 56.400 -0.156 0.000 0.761 164 E CB 2.138 31.825 29.700 -0.022 0.000 1.116 164 E HN 0.634 nan 8.360 nan 0.000 0.408 165 A N 2.720 125.430 122.820 -0.184 0.000 2.380 165 A HA 0.716 5.036 4.320 -0.000 0.000 0.315 165 A C -0.845 176.746 177.584 0.012 0.000 1.101 165 A CA -0.607 51.370 52.037 -0.100 0.000 0.771 165 A CB 1.454 20.379 19.000 -0.124 0.000 1.287 165 A HN 0.393 nan 8.150 nan 0.000 0.436 166 V N 1.310 121.259 119.914 0.058 0.000 2.604 166 V HA 0.663 4.783 4.120 -0.000 0.000 0.305 166 V C -0.322 175.823 176.094 0.085 0.000 1.043 166 V CA -0.408 61.931 62.300 0.064 0.000 0.888 166 V CB 1.572 33.428 31.823 0.055 0.000 0.995 166 V HN 1.185 nan 8.190 nan 0.000 0.429 167 V N 0.189 120.147 119.914 0.073 0.000 2.876 167 V HA 0.720 4.840 4.120 -0.000 0.000 0.312 167 V C -0.999 175.125 176.094 0.049 0.000 1.085 167 V CA -0.711 61.633 62.300 0.073 0.000 0.945 167 V CB 2.220 34.090 31.823 0.078 0.000 1.017 167 V HN 0.788 nan 8.190 nan 0.000 0.428 168 D N 2.534 122.960 120.400 0.044 0.000 2.412 168 D HA 0.425 5.065 4.640 -0.000 0.000 0.224 168 D C 0.713 177.027 176.300 0.023 0.000 1.093 168 D CA -0.222 53.796 54.000 0.030 0.000 0.850 168 D CB 1.604 42.422 40.800 0.030 0.000 1.046 168 D HN 0.628 nan 8.370 nan 0.000 0.507 169 L N 2.754 123.986 121.223 0.015 0.000 2.072 169 L HA -0.080 4.260 4.340 -0.000 0.000 0.205 169 L C 2.481 179.355 176.870 0.006 0.000 1.079 169 L CA 0.598 55.443 54.840 0.008 0.000 0.752 169 L CB -0.229 41.831 42.059 0.002 0.000 0.906 169 L HN 0.509 nan 8.230 nan 0.000 0.436 170 Q N 0.388 120.192 119.800 0.006 0.000 2.124 170 Q HA -0.189 4.151 4.340 -0.000 0.000 0.202 170 Q C 1.191 177.195 176.000 0.007 0.000 0.977 170 Q CA 1.358 57.164 55.803 0.005 0.000 0.850 170 Q CB 0.138 28.879 28.738 0.004 0.000 0.901 170 Q HN 0.534 nan 8.270 nan 0.000 0.429 171 N N 0.655 119.362 118.700 0.011 0.000 2.230 171 N HA -0.030 4.710 4.740 -0.000 0.000 0.202 171 N C -0.286 175.233 175.510 0.014 0.000 1.119 171 N CA 0.116 53.173 53.050 0.012 0.000 0.851 171 N CB 0.140 38.636 38.487 0.015 0.000 0.990 171 N HN 0.235 nan 8.380 nan 0.000 0.497 172 N N 1.106 119.815 118.700 0.014 0.000 2.716 172 N HA -0.210 4.530 4.740 -0.000 0.000 0.250 172 N C -1.166 174.357 175.510 0.022 0.000 1.033 172 N CA 0.932 53.991 53.050 0.015 0.000 0.727 172 N CB -0.850 37.641 38.487 0.008 0.000 0.950 172 N HN 0.334 nan 8.380 nan 0.000 0.541 173 K N -0.213 120.205 120.400 0.029 0.000 2.208 173 K HA 0.531 4.851 4.320 -0.000 0.000 0.247 173 K C -0.518 176.116 176.600 0.058 0.000 0.953 173 K CA -1.096 55.214 56.287 0.038 0.000 0.837 173 K CB 1.603 34.123 32.500 0.035 0.000 1.131 173 K HN 0.086 nan 8.250 nan 0.000 0.431 174 L N 3.216 124.483 121.223 0.074 0.000 2.326 174 L HA 0.222 4.562 4.340 -0.000 0.000 0.278 174 L C -0.036 176.896 176.870 0.103 0.000 1.092 174 L CA 0.316 55.223 54.840 0.112 0.000 0.810 174 L CB 0.470 42.619 42.059 0.150 0.000 1.153 174 L HN 0.743 nan 8.230 nan 0.000 0.439 175 L N 2.128 123.417 121.223 0.110 0.000 2.445 175 L HA 0.332 4.672 4.340 -0.000 0.000 0.207 175 L C 0.200 177.136 176.870 0.110 0.000 1.053 175 L CA 0.176 55.071 54.840 0.091 0.000 0.841 175 L CB 0.039 42.139 42.059 0.069 0.000 1.074 175 L HN 0.695 nan 8.230 nan 0.000 0.479 176 S N -1.322 114.460 115.700 0.137 0.000 2.564 176 S HA 0.412 4.882 4.470 -0.000 0.000 0.274 176 S C -1.789 172.950 174.600 0.231 0.000 1.124 176 S CA -0.550 57.743 58.200 0.156 0.000 0.869 176 S CB 2.445 65.703 63.200 0.096 0.000 1.105 176 S HN 0.233 nan 8.310 nan 0.000 0.472 177 W N 2.644 123.969 121.300 0.041 0.000 2.533 177 W HA 0.374 5.034 4.660 -0.000 0.000 0.291 177 W C -1.484 175.050 176.519 0.026 0.000 1.013 177 W CA -0.210 57.160 57.345 0.041 0.000 1.436 177 W CB 1.208 30.692 29.460 0.039 0.000 1.291 177 W HN 0.616 nan 8.180 nan 0.000 0.396 178 Q N 6.013 125.772 119.800 -0.068 0.000 2.413 178 Q HA 0.372 4.712 4.340 -0.000 0.000 0.258 178 Q C -2.322 173.617 176.000 -0.101 0.000 1.037 178 Q CA -2.368 53.426 55.803 -0.015 0.000 0.764 178 Q CB 1.753 30.489 28.738 -0.003 0.000 1.217 178 Q HN 0.134 nan 8.270 nan 0.000 0.490 179 P HA 0.095 nan 4.420 nan 0.000 0.267 179 P C -0.376 176.881 177.300 -0.072 0.000 1.205 179 P CA -0.016 63.048 63.100 -0.060 0.000 0.765 179 P CB 0.553 32.257 31.700 0.007 0.000 0.828 180 I N 3.283 123.779 120.570 -0.124 0.000 2.287 180 I HA 0.186 4.356 4.170 -0.000 0.000 0.290 180 I C 1.020 177.052 176.117 -0.141 0.000 1.069 180 I CA -0.740 60.470 61.300 -0.149 0.000 1.237 180 I CB -0.065 37.770 38.000 -0.275 0.000 1.418 180 I HN 0.344 nan 8.210 nan 0.000 0.481 181 K N 6.208 126.561 120.400 -0.078 0.000 2.484 181 K HA -0.083 4.236 4.320 -0.000 0.000 0.280 181 K C 0.229 176.785 176.600 -0.073 0.000 1.013 181 K CA 0.590 56.844 56.287 -0.056 0.000 1.029 181 K CB 0.501 32.986 32.500 -0.026 0.000 0.902 181 K HN 0.536 nan 8.250 nan 0.000 0.481 182 D N 0.257 120.611 120.400 -0.076 0.000 2.394 182 D HA -0.224 4.416 4.640 -0.000 0.000 0.169 182 D C -0.284 175.960 176.300 -0.094 0.000 1.214 182 D CA 1.746 55.704 54.000 -0.071 0.000 1.131 182 D CB -1.171 39.618 40.800 -0.018 0.000 1.157 182 D HN 0.738 nan 8.370 nan 0.000 0.455 183 A N 1.399 124.110 122.820 -0.182 0.000 2.546 183 A HA 0.186 4.506 4.320 -0.000 0.000 0.243 183 A C 0.286 177.720 177.584 -0.250 0.000 1.063 183 A CA 0.573 52.446 52.037 -0.272 0.000 0.757 183 A CB 0.073 18.618 19.000 -0.759 0.000 0.991 183 A HN 0.297 nan 8.150 nan 0.000 0.503 184 H N 1.336 120.298 119.070 -0.180 0.000 2.487 184 H HA 0.409 4.965 4.556 -0.000 0.000 0.333 184 H C 0.919 176.191 175.328 -0.093 0.000 1.114 184 H CA 0.182 56.145 56.048 -0.141 0.000 1.310 184 H CB 1.563 31.260 29.762 -0.107 0.000 1.462 184 H HN 0.840 nan 8.280 nan 0.000 0.516 185 G N 2.120 110.920 108.800 -0.000 0.000 2.476 185 G HA2 0.319 4.279 3.960 -0.000 0.000 0.269 185 G HA3 0.319 4.279 3.960 -0.000 0.000 0.269 185 G C 0.625 175.535 174.900 0.016 0.000 1.195 185 G CA -0.760 44.351 45.100 0.018 0.000 0.843 185 G HN 0.650 nan 8.290 nan 0.000 0.545 186 M N 0.712 120.323 119.600 0.018 0.000 2.228 186 M HA 0.275 4.755 4.480 -0.000 0.000 0.303 186 M C -0.156 176.097 176.300 -0.077 0.000 1.099 186 M CA -0.243 55.030 55.300 -0.046 0.000 1.171 186 M CB 0.258 32.843 32.600 -0.025 0.000 1.412 186 M HN 0.101 nan 8.290 nan 0.000 0.447 187 V N 3.395 123.208 119.914 -0.168 0.000 2.479 187 V HA 0.172 4.291 4.120 -0.000 0.000 0.281 187 V C 0.480 176.576 176.094 0.004 0.000 1.031 187 V CA -0.070 62.138 62.300 -0.153 0.000 1.038 187 V CB -0.122 31.492 31.823 -0.349 0.000 0.981 187 V HN 0.653 nan 8.190 nan 0.000 0.478 188 L N 4.349 125.573 121.223 0.001 0.000 2.358 188 L HA 0.384 4.724 4.340 -0.000 0.000 0.268 188 L C 1.381 178.238 176.870 -0.022 0.000 1.032 188 L CA -0.763 54.058 54.840 -0.031 0.000 0.805 188 L CB 1.178 43.164 42.059 -0.122 0.000 1.253 188 L HN 0.501 nan 8.230 nan 0.000 0.452 189 L N 1.427 122.510 121.223 -0.233 0.000 2.051 189 L HA -0.247 4.093 4.340 -0.000 0.000 0.214 189 L C 2.087 178.906 176.870 -0.085 0.000 1.076 189 L CA 2.451 57.186 54.840 -0.174 0.000 0.758 189 L CB -0.405 41.495 42.059 -0.265 0.000 0.890 189 L HN 0.928 nan 8.230 nan 0.000 0.433 190 D N -1.542 118.639 120.400 -0.364 0.000 2.224 190 D HA -0.205 4.435 4.640 -0.000 0.000 0.205 190 D C 1.539 177.833 176.300 -0.010 0.000 0.965 190 D CA 0.763 54.684 54.000 -0.132 0.000 0.852 190 D CB -0.619 40.111 40.800 -0.117 0.000 0.947 190 D HN 0.306 nan 8.370 nan 0.000 0.494 191 D N 0.070 120.457 120.400 -0.020 0.000 2.228 191 D HA -0.158 4.482 4.640 -0.000 0.000 0.203 191 D C 1.688 177.974 176.300 -0.023 0.000 0.988 191 D CA 0.679 54.657 54.000 -0.037 0.000 0.864 191 D CB -0.416 40.329 40.800 -0.092 0.000 0.928 191 D HN 0.271 nan 8.370 nan 0.000 0.469 192 F N 1.257 121.178 119.950 -0.049 0.000 2.186 192 F HA -0.068 4.459 4.527 -0.000 0.000 0.299 192 F C 2.479 178.260 175.800 -0.031 0.000 1.090 192 F CA 0.827 58.820 58.000 -0.011 0.000 1.307 192 F CB -0.521 38.495 39.000 0.026 0.000 1.019 192 F HN -0.076 nan 8.300 nan 0.000 0.489 193 A N -0.755 122.159 122.820 0.156 0.000 1.854 193 A HA -0.108 4.211 4.320 -0.000 0.000 0.214 193 A C 2.397 179.992 177.584 0.018 0.000 1.192 193 A CA 1.629 53.711 52.037 0.075 0.000 0.611 193 A CB -1.167 17.872 19.000 0.065 0.000 0.832 193 A HN 0.240 nan 8.150 nan 0.000 0.442 194 S N -0.187 115.514 115.700 0.001 0.000 2.389 194 S HA -0.231 4.239 4.470 -0.000 0.000 0.229 194 S C 1.920 176.481 174.600 -0.066 0.000 1.048 194 S CA 1.846 60.026 58.200 -0.033 0.000 1.117 194 S CB -0.796 62.376 63.200 -0.047 0.000 1.020 194 S HN 0.341 nan 8.310 nan 0.000 0.430 195 V N 1.604 121.464 119.914 -0.090 0.000 2.317 195 V HA -0.269 3.851 4.120 -0.000 0.000 0.251 195 V C 2.599 178.608 176.094 -0.141 0.000 1.065 195 V CA 2.366 64.585 62.300 -0.135 0.000 1.049 195 V CB -0.767 30.956 31.823 -0.166 0.000 0.651 195 V HN 0.428 nan 8.190 nan 0.000 0.450 196 Q N 0.499 120.244 119.800 -0.092 0.000 2.079 196 Q HA -0.151 4.188 4.340 -0.000 0.000 0.200 196 Q C 1.865 177.810 176.000 -0.092 0.000 0.974 196 Q CA 2.315 58.062 55.803 -0.093 0.000 0.840 196 Q CB -0.456 28.251 28.738 -0.051 0.000 0.898 196 Q HN 0.812 nan 8.270 nan 0.000 0.430 197 N N -0.676 117.984 118.700 -0.066 0.000 2.106 197 N HA -0.068 4.672 4.740 -0.000 0.000 0.188 197 N C 1.705 177.169 175.510 -0.076 0.000 1.029 197 N CA 1.284 54.301 53.050 -0.055 0.000 0.848 197 N CB -0.111 38.357 38.487 -0.032 0.000 1.007 197 N HN 0.193 nan 8.380 nan 0.000 0.423 198 I N 0.571 121.083 120.570 -0.097 0.000 2.208 198 I HA -0.248 3.922 4.170 -0.000 0.000 0.245 198 I C 1.783 177.802 176.117 -0.163 0.000 1.097 198 I CA 0.978 62.210 61.300 -0.113 0.000 1.363 198 I CB -0.090 37.837 38.000 -0.121 0.000 1.051 198 I HN 0.114 nan 8.210 nan 0.000 0.413 199 I N 0.778 121.197 120.570 -0.252 0.000 2.202 199 I HA -0.295 3.875 4.170 -0.000 0.000 0.242 199 I C 2.101 178.106 176.117 -0.187 0.000 1.091 199 I CA 1.738 62.789 61.300 -0.416 0.000 1.368 199 I CB -0.715 36.895 38.000 -0.649 0.000 1.058 199 I HN 0.224 nan 8.210 nan 0.000 0.410 200 N N 0.600 119.235 118.700 -0.109 0.000 2.137 200 N HA -0.186 4.554 4.740 -0.000 0.000 0.190 200 N C 0.695 176.199 175.510 -0.010 0.000 1.017 200 N CA 1.155 54.186 53.050 -0.032 0.000 0.859 200 N CB -0.213 38.256 38.487 -0.030 0.000 1.002 200 N HN 0.387 nan 8.380 nan 0.000 0.428 201 N N 0.306 118.989 118.700 -0.027 0.000 2.313 201 N HA -0.012 4.728 4.740 -0.000 0.000 0.207 201 N C -0.507 175.002 175.510 -0.002 0.000 1.141 201 N CA 0.185 53.228 53.050 -0.012 0.000 0.830 201 N CB 0.699 39.174 38.487 -0.019 0.000 1.008 201 N HN -0.017 nan 8.380 nan 0.000 0.481 202 S N 1.688 117.396 115.700 0.014 0.000 2.423 202 S HA 0.073 4.543 4.470 -0.000 0.000 0.317 202 S C 1.421 176.072 174.600 0.085 0.000 1.065 202 S CA -0.707 57.522 58.200 0.047 0.000 1.111 202 S CB 0.713 63.946 63.200 0.055 0.000 0.968 202 S HN 0.218 nan 8.310 nan 0.000 0.474 203 E N 5.147 125.377 120.200 0.051 0.000 2.055 203 E HA -0.270 4.079 4.350 -0.000 0.000 0.209 203 E C 0.991 177.624 176.600 0.054 0.000 1.036 203 E CA 1.805 58.230 56.400 0.043 0.000 0.849 203 E CB -0.777 28.937 29.700 0.023 0.000 0.767 203 E HN 0.824 nan 8.360 nan 0.000 0.461 204 E N 0.116 120.351 120.200 0.059 0.000 2.097 204 E HA -0.184 4.165 4.350 -0.000 0.000 0.196 204 E C 2.127 178.772 176.600 0.075 0.000 1.000 204 E CA 1.245 57.679 56.400 0.055 0.000 0.804 204 E CB -0.637 29.097 29.700 0.056 0.000 0.740 204 E HN 0.382 nan 8.360 nan 0.000 0.454 205 F N 1.394 121.329 119.950 -0.026 0.000 2.149 205 F HA 0.006 4.532 4.527 -0.000 0.000 0.294 205 F C 2.472 178.257 175.800 -0.025 0.000 1.095 205 F CA 1.156 59.139 58.000 -0.028 0.000 1.276 205 F CB -0.246 38.733 39.000 -0.034 0.000 1.023 205 F HN -0.020 nan 8.300 nan 0.000 0.480 206 A N 0.493 123.399 122.820 0.144 0.000 1.917 206 A HA -0.181 4.139 4.320 -0.000 0.000 0.219 206 A C 2.389 179.941 177.584 -0.053 0.000 1.182 206 A CA 1.975 54.039 52.037 0.044 0.000 0.633 206 A CB -1.576 17.460 19.000 0.059 0.000 0.819 206 A HN 0.497 nan 8.150 nan 0.000 0.448 207 A N -0.032 122.762 122.820 -0.043 0.000 1.851 207 A HA 0.068 4.388 4.320 -0.000 0.000 0.216 207 A C 2.581 180.099 177.584 -0.111 0.000 1.195 207 A CA 2.643 54.645 52.037 -0.059 0.000 0.622 207 A CB -1.330 17.649 19.000 -0.035 0.000 0.831 207 A HN 1.257 nan 8.150 nan 0.000 0.444 208 A N -0.876 121.842 122.820 -0.170 0.000 1.948 208 A HA -0.057 4.263 4.320 -0.000 0.000 0.220 208 A C 2.260 179.681 177.584 -0.272 0.000 1.177 208 A CA 2.016 53.917 52.037 -0.228 0.000 0.636 208 A CB -0.999 17.820 19.000 -0.302 0.000 0.815 208 A HN 0.447 nan 8.150 nan 0.000 0.449 209 V N -0.008 119.692 119.914 -0.356 0.000 2.307 209 V HA -0.242 3.878 4.120 -0.000 0.000 0.245 209 V C 2.568 178.577 176.094 -0.142 0.000 1.045 209 V CA 2.455 64.585 62.300 -0.285 0.000 1.024 209 V CB -0.584 31.071 31.823 -0.280 0.000 0.651 209 V HN 0.666 nan 8.190 nan 0.000 0.449 210 K N 0.792 121.129 120.400 -0.106 0.000 2.063 210 K HA -0.194 4.126 4.320 -0.000 0.000 0.208 210 K C 2.044 178.610 176.600 -0.057 0.000 1.048 210 K CA 1.620 57.870 56.287 -0.063 0.000 0.928 210 K CB -0.328 32.145 32.500 -0.046 0.000 0.713 210 K HN 0.389 nan 8.250 nan 0.000 0.442 211 K N 0.154 120.513 120.400 -0.068 0.000 2.113 211 K HA -0.146 4.173 4.320 -0.000 0.000 0.208 211 K C 1.638 178.209 176.600 -0.048 0.000 1.047 211 K CA 1.566 57.821 56.287 -0.055 0.000 0.928 211 K CB -0.162 32.302 32.500 -0.061 0.000 0.716 211 K HN 0.209 nan 8.250 nan 0.000 0.446 212 R N 0.104 120.566 120.500 -0.063 0.000 2.346 212 R HA 0.049 4.389 4.340 -0.000 0.000 0.225 212 R C 0.721 177.004 176.300 -0.028 0.000 0.987 212 R CA 0.448 56.519 56.100 -0.048 0.000 1.106 212 R CB 0.177 30.436 30.300 -0.068 0.000 1.090 212 R HN 0.383 nan 8.270 nan 0.000 0.502 213 G N 1.485 110.270 108.800 -0.026 0.000 2.143 213 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.248 213 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.248 213 G C -0.012 174.882 174.900 -0.010 0.000 0.991 213 G CA -0.230 44.862 45.100 -0.013 0.000 0.689 213 G HN 0.222 nan 8.290 nan 0.000 0.522 214 I N 1.121 121.679 120.570 -0.021 0.000 2.365 214 I HA 0.402 4.572 4.170 -0.000 0.000 0.291 214 I C 1.714 177.822 176.117 -0.014 0.000 1.004 214 I CA 0.314 61.605 61.300 -0.015 0.000 1.311 214 I CB 1.489 39.478 38.000 -0.019 0.000 1.401 214 I HN 0.106 nan 8.210 nan 0.000 0.491 215 T N 2.382 116.932 114.554 -0.007 0.000 2.739 215 T HA -0.051 4.299 4.350 -0.000 0.000 0.246 215 T C 0.330 175.028 174.700 -0.004 0.000 1.058 215 T CA 0.780 62.876 62.100 -0.006 0.000 1.184 215 T CB -0.123 68.742 68.868 -0.004 0.000 0.887 215 T HN 0.547 nan 8.240 nan 0.000 0.408 216 D N 0.884 121.283 120.400 -0.002 0.000 2.396 216 D HA 0.507 5.147 4.640 -0.000 0.000 0.225 216 D C 0.624 176.929 176.300 0.008 0.000 1.121 216 D CA -0.308 53.693 54.000 0.002 0.000 0.853 216 D CB 0.940 41.740 40.800 -0.000 0.000 1.043 216 D HN 0.240 nan 8.370 nan 0.000 0.500 217 A N 4.752 127.581 122.820 0.016 0.000 2.248 217 A HA -0.108 4.211 4.320 -0.000 0.000 0.210 217 A C 1.680 179.287 177.584 0.038 0.000 1.174 217 A CA 0.787 52.845 52.037 0.036 0.000 0.750 217 A CB -0.180 18.852 19.000 0.053 0.000 0.780 217 A HN 0.482 nan 8.150 nan 0.000 0.478 218 K N 0.225 120.635 120.400 0.017 0.000 2.361 218 K HA 0.034 4.354 4.320 -0.000 0.000 0.196 218 K C 0.846 177.443 176.600 -0.005 0.000 1.039 218 K CA 0.527 56.817 56.287 0.006 0.000 1.001 218 K CB -0.001 32.500 32.500 0.001 0.000 0.795 218 K HN 0.495 nan 8.250 nan 0.000 0.495 219 K N 1.357 121.756 120.400 -0.001 0.000 2.487 219 K HA 0.096 4.416 4.320 -0.000 0.000 0.192 219 K C 0.184 176.781 176.600 -0.005 0.000 1.027 219 K CA 0.066 56.348 56.287 -0.009 0.000 1.054 219 K CB 0.342 32.837 32.500 -0.008 0.000 0.824 219 K HN -0.143 nan 8.250 nan 0.000 0.510 220 V N 3.682 123.602 119.914 0.010 0.000 2.389 220 V HA 0.079 4.199 4.120 -0.000 0.000 0.264 220 V C 0.110 176.188 176.094 -0.027 0.000 1.049 220 V CA -0.269 62.049 62.300 0.030 0.000 0.932 220 V CB 0.584 32.468 31.823 0.102 0.000 1.011 220 V HN 0.114 nan 8.190 nan 0.000 0.475 221 I N 5.244 125.766 120.570 -0.080 0.000 2.325 221 I HA 0.288 4.458 4.170 -0.000 0.000 0.291 221 I C 0.856 176.888 176.117 -0.143 0.000 1.019 221 I CA 0.011 61.166 61.300 -0.241 0.000 1.302 221 I CB 1.430 39.043 38.000 -0.644 0.000 1.401 221 I HN 0.660 nan 8.210 nan 0.000 0.485 222 T N 1.906 116.378 114.554 -0.137 0.000 2.913 222 T HA 0.445 4.795 4.350 -0.000 0.000 0.287 222 T C 0.137 174.817 174.700 -0.034 0.000 1.008 222 T CA -0.551 61.504 62.100 -0.074 0.000 1.067 222 T CB 1.902 70.700 68.868 -0.118 0.000 0.996 222 T HN 0.598 nan 8.240 nan 0.000 0.513 223 T N 3.312 117.900 114.554 0.057 0.000 2.848 223 T HA 0.592 4.942 4.350 -0.000 0.000 0.285 223 T C -2.911 171.822 174.700 0.054 0.000 0.995 223 T CA -1.833 60.347 62.100 0.133 0.000 0.970 223 T CB 1.428 70.484 68.868 0.314 0.000 0.976 223 T HN 0.588 nan 8.240 nan 0.000 0.441 224 P HA 0.586 nan 4.420 nan 0.000 0.288 224 P C -1.420 175.867 177.300 -0.021 0.000 1.267 224 P CA -0.692 62.297 63.100 -0.184 0.000 0.815 224 P CB 1.177 32.536 31.700 -0.568 0.000 0.989 225 L N 1.891 123.090 121.223 -0.039 0.000 2.408 225 L HA 0.409 4.748 4.340 -0.000 0.000 0.268 225 L C 0.504 177.338 176.870 -0.059 0.000 0.986 225 L CA -0.196 54.638 54.840 -0.010 0.000 0.820 225 L CB 1.918 44.017 42.059 0.067 0.000 1.303 225 L HN 0.268 nan 8.230 nan 0.000 0.411 226 T N 1.029 115.536 114.554 -0.078 0.000 2.900 226 T HA 0.185 4.535 4.350 -0.000 0.000 0.307 226 T C 1.201 175.899 174.700 -0.003 0.000 1.065 226 T CA 0.051 62.098 62.100 -0.089 0.000 1.105 226 T CB 1.005 69.813 68.868 -0.099 0.000 0.979 226 T HN 0.563 nan 8.240 nan 0.000 0.544 227 V N -0.398 119.484 119.914 -0.052 0.000 3.660 227 V HA 0.494 4.614 4.120 -0.000 0.000 0.276 227 V C 1.165 177.324 176.094 0.109 0.000 1.317 227 V CA 0.730 63.004 62.300 -0.044 0.000 1.097 227 V CB -1.400 30.325 31.823 -0.165 0.000 0.863 227 V HN 1.297 nan 8.190 nan 0.000 0.438 228 G N 0.485 109.303 108.800 0.030 0.000 2.569 228 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.259 228 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.259 228 G C -0.603 174.261 174.900 -0.060 0.000 1.263 228 G CA 0.616 45.698 45.100 -0.030 0.000 0.928 228 G HN 1.572 nan 8.290 nan 0.000 0.572 229 Y N -1.019 118.996 120.300 -0.475 0.000 2.442 229 Y HA 0.625 5.175 4.550 -0.000 0.000 0.330 229 Y C -0.796 174.533 175.900 -0.951 0.000 1.100 229 Y CA -1.376 56.414 58.100 -0.516 0.000 1.034 229 Y CB 1.327 39.505 38.460 -0.470 0.000 1.285 229 Y HN 0.615 nan 8.280 nan 0.000 0.440 230 F N 4.058 123.281 119.950 -1.211 0.000 2.671 230 F HA 0.213 4.740 4.527 -0.000 0.000 0.384 230 F C 0.302 175.362 175.800 -1.234 0.000 1.351 230 F CA -0.749 56.619 58.000 -1.054 0.000 1.151 230 F CB 0.459 39.276 39.000 -0.306 0.000 1.147 230 F HN 0.570 nan 8.300 nan 0.000 0.513 231 D N 1.363 120.569 120.400 -1.990 0.000 2.733 231 D HA -0.206 4.434 4.640 -0.000 0.000 0.232 231 D C 1.428 177.502 176.300 -0.376 0.000 1.161 231 D CA 1.882 55.308 54.000 -0.956 0.000 0.653 231 D CB -0.807 39.788 40.800 -0.342 0.000 1.052 231 D HN 0.837 nan 8.370 nan 0.000 0.424 232 G N -0.577 108.011 108.800 -0.354 0.000 2.258 232 G HA2 -0.397 3.563 3.960 -0.000 0.000 0.233 232 G HA3 -0.397 3.563 3.960 -0.000 0.000 0.233 232 G C 1.099 175.934 174.900 -0.107 0.000 1.006 232 G CA 0.560 45.568 45.100 -0.153 0.000 0.620 232 G HN 0.514 nan 8.290 nan 0.000 0.511 233 K N 0.846 121.187 120.400 -0.100 0.000 2.574 233 K HA 0.051 4.371 4.320 -0.000 0.000 0.193 233 K C 1.584 178.099 176.600 -0.141 0.000 1.035 233 K CA 1.260 57.494 56.287 -0.087 0.000 0.982 233 K CB -0.018 32.452 32.500 -0.050 0.000 0.795 233 K HN 0.655 nan 8.250 nan 0.000 0.491 234 D N -1.375 118.957 120.400 -0.113 0.000 2.369 234 D HA 0.047 4.687 4.640 -0.000 0.000 0.211 234 D C 1.046 177.310 176.300 -0.060 0.000 1.077 234 D CA 0.505 54.452 54.000 -0.089 0.000 0.842 234 D CB 0.323 41.109 40.800 -0.024 0.000 0.947 234 D HN 0.120 nan 8.370 nan 0.000 0.509 235 G N 0.467 109.229 108.800 -0.064 0.000 2.143 235 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.249 235 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.249 235 G C -0.135 174.737 174.900 -0.048 0.000 0.981 235 G CA 0.269 45.337 45.100 -0.053 0.000 0.665 235 G HN 0.383 nan 8.290 nan 0.000 0.528 236 L N 0.363 121.557 121.223 -0.049 0.000 2.307 236 L HA 0.478 4.818 4.340 -0.000 0.000 0.284 236 L C 0.888 177.743 176.870 -0.024 0.000 1.023 236 L CA -0.979 53.836 54.840 -0.042 0.000 0.810 236 L CB 1.586 43.615 42.059 -0.049 0.000 1.231 236 L HN 0.013 nan 8.230 nan 0.000 0.423 237 K N 1.596 121.987 120.400 -0.014 0.000 2.401 237 K HA -0.044 4.275 4.320 -0.000 0.000 0.278 237 K C 0.657 177.279 176.600 0.035 0.000 1.018 237 K CA -0.124 56.167 56.287 0.005 0.000 0.981 237 K CB 1.094 33.593 32.500 -0.001 0.000 0.933 237 K HN 0.498 nan 8.250 nan 0.000 0.477 238 Q N 2.313 122.149 119.800 0.061 0.000 2.224 238 Q HA -0.131 4.208 4.340 -0.000 0.000 0.203 238 Q C 0.405 176.495 176.000 0.150 0.000 0.970 238 Q CA 1.811 57.680 55.803 0.111 0.000 0.865 238 Q CB 0.194 28.998 28.738 0.111 0.000 0.922 238 Q HN 0.581 nan 8.270 nan 0.000 0.445 239 D N -0.688 119.754 120.400 0.069 0.000 2.301 239 D HA 0.156 4.796 4.640 -0.000 0.000 0.206 239 D C -0.097 176.178 176.300 -0.042 0.000 0.979 239 D CA 0.717 54.718 54.000 0.001 0.000 0.874 239 D CB -0.223 40.565 40.800 -0.020 0.000 0.968 239 D HN 0.235 nan 8.370 nan 0.000 0.510 240 A N 0.858 123.679 122.820 0.002 0.000 2.462 240 A HA 0.200 4.520 4.320 -0.000 0.000 0.243 240 A C 0.494 178.086 177.584 0.014 0.000 1.076 240 A CA -0.233 51.788 52.037 -0.026 0.000 0.773 240 A CB 0.111 19.096 19.000 -0.025 0.000 1.010 240 A HN 0.053 nan 8.150 nan 0.000 0.493 241 R N 2.494 122.961 120.500 -0.055 0.000 2.291 241 R HA 0.432 4.772 4.340 -0.000 0.000 0.333 241 R C -1.017 175.263 176.300 -0.032 0.000 1.082 241 R CA 0.083 56.170 56.100 -0.023 0.000 0.948 241 R CB -0.254 29.984 30.300 -0.104 0.000 1.009 241 R HN 0.692 nan 8.270 nan 0.000 0.460 242 L N 5.299 126.510 121.223 -0.020 0.000 2.319 242 L HA 0.646 4.986 4.340 -0.000 0.000 0.267 242 L C -0.559 176.241 176.870 -0.117 0.000 1.011 242 L CA -1.222 53.571 54.840 -0.079 0.000 0.818 242 L CB 1.790 43.798 42.059 -0.084 0.000 1.316 242 L HN 0.525 nan 8.230 nan 0.000 0.432 243 L N 1.004 122.140 121.223 -0.145 0.000 2.472 243 L HA 0.475 4.815 4.340 -0.000 0.000 0.260 243 L C -0.826 175.927 176.870 -0.194 0.000 0.963 243 L CA -0.738 54.000 54.840 -0.171 0.000 0.829 243 L CB 2.733 44.682 42.059 -0.182 0.000 1.348 243 L HN 0.511 nan 8.230 nan 0.000 0.408 244 K N 1.077 121.346 120.400 -0.219 0.000 2.095 244 K HA 0.710 5.030 4.320 -0.000 0.000 0.252 244 K C -1.215 175.305 176.600 -0.134 0.000 0.977 244 K CA -0.749 55.381 56.287 -0.261 0.000 0.900 244 K CB 2.402 34.548 32.500 -0.590 0.000 1.060 244 K HN 0.215 nan 8.250 nan 0.000 0.449 245 V N 3.992 123.842 119.914 -0.106 0.000 2.398 245 V HA 0.189 4.309 4.120 -0.000 0.000 0.282 245 V C -0.547 175.535 176.094 -0.020 0.000 1.014 245 V CA -0.865 61.390 62.300 -0.075 0.000 0.838 245 V CB 0.931 32.663 31.823 -0.152 0.000 1.018 245 V HN 0.581 nan 8.190 nan 0.000 0.432 246 I N 3.289 123.859 120.570 -0.000 0.000 2.662 246 I HA 0.475 4.644 4.170 -0.000 0.000 0.291 246 I C 0.728 176.800 176.117 -0.074 0.000 1.046 246 I CA 0.456 61.714 61.300 -0.070 0.000 1.361 246 I CB 1.627 39.559 38.000 -0.114 0.000 1.429 246 I HN 0.567 nan 8.210 nan 0.000 0.558 247 S N 4.320 119.895 115.700 -0.209 0.000 2.547 247 S HA 0.708 5.178 4.470 -0.000 0.000 0.281 247 S C -1.223 173.186 174.600 -0.319 0.000 1.118 247 S CA -0.493 57.642 58.200 -0.109 0.000 0.947 247 S CB 1.252 64.512 63.200 0.100 0.000 1.053 247 S HN 0.316 nan 8.310 nan 0.000 0.482 248 Y N 0.803 121.120 120.300 0.028 0.000 2.633 248 Y HA 0.699 5.249 4.550 -0.000 0.000 0.339 248 Y C -0.604 175.335 175.900 0.065 0.000 1.045 248 Y CA -1.258 56.898 58.100 0.092 0.000 1.098 248 Y CB 1.031 39.591 38.460 0.167 0.000 1.296 248 Y HN 0.472 nan 8.280 nan 0.000 0.494 249 L N 2.263 123.661 121.223 0.291 0.000 2.294 249 L HA 0.383 4.723 4.340 -0.000 0.000 0.283 249 L C -0.770 176.165 176.870 0.108 0.000 1.015 249 L CA -0.462 54.466 54.840 0.148 0.000 0.831 249 L CB 0.501 42.623 42.059 0.104 0.000 1.217 249 L HN 0.549 nan 8.230 nan 0.000 0.420 250 D N 3.397 123.829 120.400 0.054 0.000 2.389 250 D HA 0.035 4.675 4.640 -0.000 0.000 0.263 250 D C 0.780 177.050 176.300 -0.050 0.000 1.255 250 D CA 0.330 54.346 54.000 0.028 0.000 0.914 250 D CB 1.045 41.843 40.800 -0.002 0.000 1.116 250 D HN 0.382 nan 8.370 nan 0.000 0.502 251 V N 1.571 121.401 119.914 -0.140 0.000 3.319 251 V HA 0.504 4.624 4.120 -0.000 0.000 0.317 251 V C 1.228 177.263 176.094 -0.098 0.000 1.411 251 V CA 0.398 62.595 62.300 -0.172 0.000 1.112 251 V CB 0.029 31.650 31.823 -0.336 0.000 1.031 251 V HN 0.714 nan 8.190 nan 0.000 0.448 252 G N 1.964 110.732 108.800 -0.053 0.000 2.176 252 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.232 252 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.232 252 G C 0.343 175.227 174.900 -0.028 0.000 0.986 252 G CA 0.469 45.550 45.100 -0.031 0.000 0.643 252 G HN 0.790 nan 8.290 nan 0.000 0.522 253 D N 0.137 120.529 120.400 -0.014 0.000 2.339 253 D HA 0.366 5.006 4.640 -0.000 0.000 0.217 253 D C 1.879 178.129 176.300 -0.084 0.000 1.050 253 D CA 0.753 54.741 54.000 -0.020 0.000 0.856 253 D CB -0.571 40.260 40.800 0.053 0.000 0.922 253 D HN 1.573 nan 8.370 nan 0.000 0.518 254 G N 0.801 109.572 108.800 -0.048 0.000 2.184 254 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.264 254 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.264 254 G C 0.238 175.091 174.900 -0.080 0.000 0.975 254 G CA 0.241 45.286 45.100 -0.092 0.000 0.642 254 G HN 0.545 nan 8.290 nan 0.000 0.536 255 N N 0.321 119.036 118.700 0.025 0.000 2.918 255 N HA 0.412 5.152 4.740 -0.000 0.000 0.270 255 N C 1.182 176.789 175.510 0.163 0.000 1.536 255 N CA -0.539 52.584 53.050 0.123 0.000 0.877 255 N CB -0.164 38.405 38.487 0.135 0.000 1.190 255 N HN 0.422 nan 8.380 nan 0.000 0.492 256 Y N -0.610 119.733 120.300 0.072 0.000 2.333 256 Y HA -0.020 4.530 4.550 -0.000 0.000 0.290 256 Y C 1.159 177.003 175.900 -0.093 0.000 1.144 256 Y CA 0.613 58.730 58.100 0.028 0.000 1.228 256 Y CB -0.756 37.598 38.460 -0.178 0.000 0.985 256 Y HN 0.252 nan 8.280 nan 0.000 0.542 257 W N 1.327 122.335 121.300 -0.486 0.000 2.341 257 W HA -0.097 4.563 4.660 -0.000 0.000 0.283 257 W C 2.422 178.991 176.519 0.085 0.000 1.215 257 W CA 1.491 58.559 57.345 -0.462 0.000 1.211 257 W CB -0.496 28.689 29.460 -0.458 0.000 1.131 257 W HN 0.182 nan 8.180 nan 0.000 0.552 258 A N -0.511 122.420 122.820 0.185 0.000 2.255 258 A HA -0.035 4.285 4.320 -0.000 0.000 0.206 258 A C 0.295 177.694 177.584 -0.309 0.000 1.193 258 A CA 0.660 52.736 52.037 0.065 0.000 0.794 258 A CB -0.804 18.039 19.000 -0.262 0.000 0.794 258 A HN 0.396 nan 8.150 nan 0.000 0.481 259 H N -0.153 119.191 119.070 0.457 0.000 2.511 259 H HA 0.210 4.766 4.556 -0.000 0.000 0.228 259 H C -2.976 172.571 175.328 0.364 0.000 1.424 259 H CA -1.822 54.439 56.048 0.355 0.000 1.321 259 H CB -0.005 29.917 29.762 0.266 0.000 1.720 259 H HN 0.331 nan 8.280 nan 0.000 0.512 260 P HA 0.092 nan 4.420 nan 0.000 0.270 260 P C 0.343 177.675 177.300 0.053 0.000 1.223 260 P CA -0.130 63.035 63.100 0.109 0.000 0.785 260 P CB 1.635 33.406 31.700 0.118 0.000 0.923 261 I N 1.000 121.527 120.570 -0.073 0.000 2.412 261 I HA 0.212 4.382 4.170 -0.000 0.000 0.279 261 I C 0.750 176.842 176.117 -0.042 0.000 1.063 261 I CA -0.665 60.615 61.300 -0.033 0.000 1.193 261 I CB 0.517 38.490 38.000 -0.045 0.000 1.370 261 I HN 0.220 nan 8.210 nan 0.000 0.479 262 E N 4.481 124.689 120.200 0.013 0.000 2.373 262 E HA 0.115 4.465 4.350 -0.000 0.000 0.267 262 E C 0.276 176.900 176.600 0.040 0.000 1.032 262 E CA 0.494 56.925 56.400 0.051 0.000 0.889 262 E CB 0.279 30.042 29.700 0.105 0.000 0.984 262 E HN 0.523 nan 8.360 nan 0.000 0.425 263 N N 0.821 119.557 118.700 0.060 0.000 2.782 263 N HA -0.257 4.483 4.740 -0.000 0.000 0.251 263 N C -1.025 174.496 175.510 0.017 0.000 1.101 263 N CA 0.346 53.430 53.050 0.056 0.000 0.764 263 N CB -1.069 37.453 38.487 0.059 0.000 1.122 263 N HN 0.221 nan 8.380 nan 0.000 0.561 264 L N 1.016 122.234 121.223 -0.008 0.000 2.295 264 L HA 0.577 4.917 4.340 -0.000 0.000 0.281 264 L C -0.870 176.017 176.870 0.028 0.000 1.018 264 L CA -0.845 53.984 54.840 -0.017 0.000 0.841 264 L CB 1.449 43.461 42.059 -0.079 0.000 1.218 264 L HN -0.065 nan 8.230 nan 0.000 0.424 265 V N 4.476 124.419 119.914 0.048 0.000 2.487 265 V HA 0.870 4.990 4.120 -0.000 0.000 0.298 265 V C 0.197 176.324 176.094 0.056 0.000 1.028 265 V CA -0.501 61.825 62.300 0.044 0.000 0.860 265 V CB 1.254 33.086 31.823 0.015 0.000 0.991 265 V HN 0.883 nan 8.190 nan 0.000 0.427 266 A N 4.312 127.165 122.820 0.054 0.000 2.330 266 A HA 0.874 5.194 4.320 -0.000 0.000 0.327 266 A C -0.695 176.829 177.584 -0.099 0.000 1.155 266 A CA -0.594 51.452 52.037 0.016 0.000 0.803 266 A CB 1.597 20.601 19.000 0.008 0.000 1.208 266 A HN 0.728 nan 8.150 nan 0.000 0.477 267 V N 3.061 122.913 119.914 -0.104 0.000 2.357 267 V HA 0.382 4.502 4.120 -0.000 0.000 0.284 267 V C -0.234 175.787 176.094 -0.122 0.000 1.018 267 V CA -0.508 61.706 62.300 -0.144 0.000 0.841 267 V CB 1.082 32.817 31.823 -0.146 0.000 0.991 267 V HN 0.610 nan 8.190 nan 0.000 0.437 268 V N 3.854 123.685 119.914 -0.138 0.000 2.435 268 V HA 0.399 4.519 4.120 -0.000 0.000 0.290 268 V C -0.214 175.814 176.094 -0.110 0.000 1.030 268 V CA -0.445 61.780 62.300 -0.125 0.000 0.881 268 V CB 1.962 33.697 31.823 -0.147 0.000 0.983 268 V HN 0.901 nan 8.190 nan 0.000 0.445 269 D N 4.096 124.442 120.400 -0.090 0.000 2.329 269 D HA 0.294 4.934 4.640 -0.000 0.000 0.232 269 D C 0.753 177.005 176.300 -0.080 0.000 1.088 269 D CA -0.260 53.693 54.000 -0.079 0.000 0.835 269 D CB 1.716 42.477 40.800 -0.065 0.000 1.078 269 D HN 0.403 nan 8.370 nan 0.000 0.495 270 L N 2.878 124.050 121.223 -0.085 0.000 2.376 270 L HA -0.026 4.314 4.340 -0.000 0.000 0.219 270 L C 2.029 178.857 176.870 -0.071 0.000 1.133 270 L CA 0.518 55.309 54.840 -0.081 0.000 0.816 270 L CB -0.000 42.006 42.059 -0.088 0.000 0.933 270 L HN 0.340 nan 8.230 nan 0.000 0.449 271 E N 0.140 120.295 120.200 -0.075 0.000 2.086 271 E HA -0.122 4.228 4.350 -0.000 0.000 0.190 271 E C 2.108 178.678 176.600 -0.050 0.000 0.975 271 E CA 0.798 57.158 56.400 -0.066 0.000 0.813 271 E CB -0.042 29.608 29.700 -0.082 0.000 0.768 271 E HN 0.555 nan 8.360 nan 0.000 0.457 272 Q N 0.571 120.341 119.800 -0.050 0.000 2.297 272 Q HA -0.003 4.337 4.340 -0.000 0.000 0.204 272 Q C 0.039 176.014 176.000 -0.041 0.000 0.962 272 Q CA 0.253 56.031 55.803 -0.041 0.000 0.879 272 Q CB 0.012 28.726 28.738 -0.040 0.000 0.947 272 Q HN 0.092 nan 8.270 nan 0.000 0.462 273 K N 1.064 121.435 120.400 -0.049 0.000 3.244 273 K HA -0.208 4.112 4.320 -0.000 0.000 0.270 273 K C -1.114 175.454 176.600 -0.052 0.000 1.016 273 K CA 0.820 57.077 56.287 -0.050 0.000 0.754 273 K CB -1.177 31.300 32.500 -0.038 0.000 1.326 273 K HN 0.314 nan 8.250 nan 0.000 0.465 274 K N -1.282 119.083 120.400 -0.059 0.000 2.579 274 K HA 0.463 4.783 4.320 -0.000 0.000 0.284 274 K C -0.350 176.207 176.600 -0.071 0.000 0.990 274 K CA -1.204 55.047 56.287 -0.060 0.000 0.880 274 K CB 1.107 33.581 32.500 -0.042 0.000 1.488 274 K HN -0.027 nan 8.250 nan 0.000 0.425 275 I N 1.964 122.492 120.570 -0.071 0.000 2.692 275 I HA -0.041 4.129 4.170 -0.000 0.000 0.284 275 I C 0.938 177.027 176.117 -0.047 0.000 1.159 275 I CA -0.284 60.975 61.300 -0.067 0.000 1.423 275 I CB 1.118 39.090 38.000 -0.046 0.000 1.380 275 I HN 0.612 nan 8.210 nan 0.000 0.580 276 V N 2.036 121.920 119.914 -0.051 0.000 3.346 276 V HA 0.433 4.553 4.120 -0.000 0.000 0.309 276 V C 0.013 176.085 176.094 -0.038 0.000 1.457 276 V CA -0.187 62.088 62.300 -0.042 0.000 1.069 276 V CB -0.213 31.581 31.823 -0.048 0.000 0.944 276 V HN 0.869 nan 8.190 nan 0.000 0.449 277 K N 0.712 121.093 120.400 -0.033 0.000 2.633 277 K HA 0.497 4.817 4.320 -0.000 0.000 0.268 277 K C -2.053 174.540 176.600 -0.012 0.000 1.005 277 K CA -0.457 55.813 56.287 -0.028 0.000 0.976 277 K CB 1.676 34.147 32.500 -0.048 0.000 1.372 277 K HN 0.269 nan 8.250 nan 0.000 0.420 278 I N 4.213 124.788 120.570 0.007 0.000 2.437 278 I HA 0.217 4.387 4.170 -0.000 0.000 0.279 278 I C -0.408 175.716 176.117 0.012 0.000 1.028 278 I CA -0.649 60.671 61.300 0.033 0.000 1.142 278 I CB 1.681 39.716 38.000 0.059 0.000 1.266 278 I HN 0.482 nan 8.210 nan 0.000 0.461 279 E N 6.691 126.897 120.200 0.009 0.000 2.223 279 E HA 0.266 4.616 4.350 -0.000 0.000 0.282 279 E C -0.741 175.869 176.600 0.016 0.000 1.046 279 E CA -0.259 56.148 56.400 0.012 0.000 0.857 279 E CB 1.011 30.725 29.700 0.023 0.000 1.055 279 E HN 0.509 nan 8.360 nan 0.000 0.409 280 E N 1.806 122.010 120.200 0.006 0.000 2.210 280 E HA 0.502 4.852 4.350 -0.000 0.000 0.266 280 E C -0.184 176.422 176.600 0.009 0.000 0.883 280 E CA -0.769 55.629 56.400 -0.003 0.000 0.761 280 E CB 2.048 31.733 29.700 -0.025 0.000 1.156 280 E HN 0.532 nan 8.360 nan 0.000 0.412 281 G N 2.239 111.049 108.800 0.017 0.000 3.075 281 G HA2 0.543 4.502 3.960 -0.000 0.000 0.253 281 G HA3 0.543 4.502 3.960 -0.000 0.000 0.253 281 G C -2.460 172.450 174.900 0.017 0.000 1.353 281 G CA -1.285 43.831 45.100 0.026 0.000 1.051 281 G HN 0.282 nan 8.290 nan 0.000 0.553 282 P HA 0.213 nan 4.420 nan 0.000 0.271 282 P C -0.521 176.788 177.300 0.015 0.000 1.233 282 P CA -0.261 62.850 63.100 0.017 0.000 0.795 282 P CB 0.519 32.233 31.700 0.025 0.000 0.936 283 V N 1.293 121.213 119.914 0.009 0.000 2.370 283 V HA 0.283 4.403 4.120 -0.000 0.000 0.283 283 V C 0.142 176.244 176.094 0.014 0.000 1.023 283 V CA -0.472 61.831 62.300 0.005 0.000 0.857 283 V CB 1.669 33.490 31.823 -0.004 0.000 0.985 283 V HN 0.191 nan 8.190 nan 0.000 0.443 284 V N 6.601 126.526 119.914 0.020 0.000 2.487 284 V HA 0.418 4.538 4.120 -0.000 0.000 0.298 284 V C -2.314 173.799 176.094 0.032 0.000 1.028 284 V CA -2.032 60.286 62.300 0.030 0.000 0.860 284 V CB 1.893 33.742 31.823 0.043 0.000 0.991 284 V HN 0.730 nan 8.190 nan 0.000 0.427 285 P HA 0.064 nan 4.420 nan 0.000 0.264 285 P C -0.219 177.120 177.300 0.064 0.000 1.183 285 P CA 0.033 63.158 63.100 0.042 0.000 0.763 285 P CB 0.346 32.071 31.700 0.042 0.000 0.807 286 V N 6.798 126.755 119.914 0.071 0.000 2.540 286 V HA 0.012 4.132 4.120 -0.000 0.000 0.297 286 V C -1.777 174.406 176.094 0.148 0.000 1.024 286 V CA -0.828 61.539 62.300 0.112 0.000 1.105 286 V CB -0.265 31.624 31.823 0.110 0.000 0.938 286 V HN 0.578 nan 8.190 nan 0.000 0.482 287 P HA 0.184 nan 4.420 nan 0.000 0.271 287 P C 0.428 177.926 177.300 0.330 0.000 1.220 287 P CA -0.010 63.219 63.100 0.215 0.000 0.768 287 P CB 0.531 32.349 31.700 0.196 0.000 0.848 288 M N -0.160 119.599 119.600 0.266 0.000 2.571 288 M HA 0.065 4.545 4.480 -0.000 0.000 0.259 288 M C 0.397 176.848 176.300 0.251 0.000 1.205 288 M CA 0.698 56.135 55.300 0.228 0.000 1.138 288 M CB -0.733 31.936 32.600 0.115 0.000 1.329 288 M HN 0.200 nan 8.290 nan 0.000 0.503 289 T N 2.464 117.177 114.554 0.264 0.000 2.946 289 T HA 0.230 4.580 4.350 -0.000 0.000 0.312 289 T C 0.414 175.297 174.700 0.304 0.000 1.066 289 T CA -0.141 62.097 62.100 0.231 0.000 1.138 289 T CB 0.520 69.515 68.868 0.213 0.000 1.014 289 T HN 0.355 nan 8.240 nan 0.000 0.544 290 A N 3.840 126.776 122.820 0.193 0.000 2.520 290 A HA 0.343 4.663 4.320 -0.000 0.000 0.245 290 A C 0.749 178.427 177.584 0.157 0.000 1.072 290 A CA -0.173 51.969 52.037 0.174 0.000 0.761 290 A CB 0.141 19.188 19.000 0.079 0.000 1.004 290 A HN 0.671 nan 8.150 nan 0.000 0.499 291 R N 2.626 123.217 120.500 0.151 0.000 2.674 291 R HA 0.263 4.603 4.340 -0.000 0.000 0.270 291 R C -3.071 173.194 176.300 -0.058 0.000 1.492 291 R CA -1.537 54.575 56.100 0.020 0.000 1.624 291 R CB 0.729 31.017 30.300 -0.021 0.000 1.307 291 R HN 0.523 nan 8.270 nan 0.000 0.683 292 P HA 0.155 nan 4.420 nan 0.000 0.274 292 P C 0.217 177.418 177.300 -0.164 0.000 1.237 292 P CA -0.276 62.711 63.100 -0.189 0.000 0.793 292 P CB 0.351 31.940 31.700 -0.185 0.000 0.977 293 F N -0.941 118.932 119.950 -0.128 0.000 2.706 293 F HA 0.296 4.823 4.527 -0.000 0.000 0.313 293 F C 0.812 176.553 175.800 -0.099 0.000 1.096 293 F CA -0.382 57.529 58.000 -0.148 0.000 1.219 293 F CB -0.759 38.120 39.000 -0.200 0.000 1.051 293 F HN 0.105 nan 8.300 nan 0.000 0.568 294 D N -0.090 120.130 120.400 -0.299 0.000 2.339 294 D HA 0.244 4.884 4.640 -0.000 0.000 0.217 294 D C 1.891 178.146 176.300 -0.076 0.000 1.050 294 D CA 0.608 54.511 54.000 -0.162 0.000 0.856 294 D CB 0.137 40.753 40.800 -0.307 0.000 0.922 294 D HN 0.444 nan 8.370 nan 0.000 0.518 295 G N 1.742 110.502 108.800 -0.066 0.000 2.195 295 G HA2 -0.432 3.528 3.960 -0.000 0.000 0.246 295 G HA3 -0.432 3.528 3.960 -0.000 0.000 0.246 295 G C 1.295 176.167 174.900 -0.045 0.000 0.984 295 G CA 0.443 45.520 45.100 -0.039 0.000 0.633 295 G HN 0.567 nan 8.290 nan 0.000 0.525 296 R N 0.823 121.282 120.500 -0.068 0.000 2.185 296 R HA -0.128 4.212 4.340 -0.000 0.000 0.247 296 R C 1.372 177.649 176.300 -0.039 0.000 1.159 296 R CA 2.205 58.271 56.100 -0.057 0.000 0.988 296 R CB -0.528 29.727 30.300 -0.075 0.000 0.871 296 R HN 0.478 nan 8.270 nan 0.000 0.458 297 D N -0.311 120.067 120.400 -0.037 0.000 2.501 297 D HA 0.126 4.766 4.640 -0.000 0.000 0.226 297 D C -0.171 176.121 176.300 -0.012 0.000 1.198 297 D CA -0.387 53.600 54.000 -0.021 0.000 0.830 297 D CB 0.278 41.067 40.800 -0.018 0.000 1.014 297 D HN 0.087 nan 8.370 nan 0.000 0.496 298 R N -0.606 119.885 120.500 -0.014 0.000 2.888 298 R HA 0.696 5.036 4.340 -0.000 0.000 0.264 298 R C -1.105 175.192 176.300 -0.005 0.000 1.045 298 R CA -1.034 55.062 56.100 -0.007 0.000 0.962 298 R CB 2.076 32.373 30.300 -0.006 0.000 1.210 298 R HN -0.123 nan 8.270 nan 0.000 0.479 299 V N 1.025 120.939 119.914 -0.001 0.000 2.447 299 V HA 0.393 4.512 4.120 -0.000 0.000 0.292 299 V C 0.087 176.182 176.094 0.002 0.000 1.021 299 V CA -1.113 61.187 62.300 -0.000 0.000 0.850 299 V CB 1.497 33.321 31.823 0.002 0.000 1.005 299 V HN 0.941 nan 8.190 nan 0.000 0.426 300 A N 7.474 130.295 122.820 0.001 0.000 2.531 300 A HA 0.540 4.860 4.320 -0.000 0.000 0.236 300 A C -1.596 175.990 177.584 0.004 0.000 1.062 300 A CA -0.466 51.572 52.037 0.003 0.000 0.760 300 A CB -0.272 18.729 19.000 0.002 0.000 0.995 300 A HN 0.689 nan 8.150 nan 0.000 0.501 301 P HA 0.390 nan 4.420 nan 0.000 0.275 301 P C -0.191 177.112 177.300 0.004 0.000 1.227 301 P CA -0.048 63.055 63.100 0.005 0.000 0.781 301 P CB 0.909 32.613 31.700 0.006 0.000 0.906 302 A N 2.861 125.683 122.820 0.004 0.000 2.511 302 A HA 0.345 4.665 4.320 -0.000 0.000 0.242 302 A C 0.053 177.639 177.584 0.004 0.000 1.069 302 A CA -0.011 52.029 52.037 0.004 0.000 0.763 302 A CB -0.142 18.860 19.000 0.004 0.000 1.001 302 A HN 0.396 nan 8.150 nan 0.000 0.498 303 V N 3.271 123.187 119.914 0.004 0.000 2.588 303 V HA 0.281 4.401 4.120 -0.000 0.000 0.304 303 V C 0.009 176.104 176.094 0.003 0.000 1.042 303 V CA -0.987 61.315 62.300 0.003 0.000 0.877 303 V CB 1.743 33.568 31.823 0.003 0.000 0.996 303 V HN 0.946 nan 8.190 nan 0.000 0.425 304 K N 5.390 125.791 120.400 0.001 0.000 2.436 304 K HA 0.302 4.622 4.320 -0.000 0.000 0.275 304 K C -2.123 174.478 176.600 0.002 0.000 0.999 304 K CA -0.853 55.434 56.287 0.000 0.000 0.980 304 K CB 0.266 32.765 32.500 -0.003 0.000 0.919 304 K HN 0.495 nan 8.250 nan 0.000 0.484 305 P HA -0.002 nan 4.420 nan 0.000 0.268 305 P C -0.917 176.386 177.300 0.006 0.000 1.205 305 P CA -0.012 63.092 63.100 0.007 0.000 0.771 305 P CB 0.656 32.362 31.700 0.011 0.000 0.858 306 M N 2.282 121.887 119.600 0.008 0.000 2.321 306 M HA 0.289 4.769 4.480 -0.000 0.000 0.315 306 M C -1.169 175.140 176.300 0.015 0.000 1.052 306 M CA -0.403 54.902 55.300 0.008 0.000 0.936 306 M CB 2.025 34.626 32.600 0.003 0.000 1.639 306 M HN 0.316 nan 8.290 nan 0.000 0.433 307 Q N 4.449 124.262 119.800 0.022 0.000 2.356 307 Q HA 0.574 4.913 4.340 -0.000 0.000 0.270 307 Q C -1.409 174.613 176.000 0.036 0.000 1.058 307 Q CA -0.616 55.210 55.803 0.038 0.000 0.802 307 Q CB 3.137 31.912 28.738 0.062 0.000 1.303 307 Q HN 0.740 nan 8.270 nan 0.000 0.444 308 I N 4.612 125.208 120.570 0.043 0.000 2.337 308 I HA 0.333 4.503 4.170 -0.000 0.000 0.285 308 I C -0.222 175.934 176.117 0.065 0.000 1.041 308 I CA -0.500 60.826 61.300 0.044 0.000 1.199 308 I CB 0.367 38.392 38.000 0.041 0.000 1.370 308 I HN 0.469 nan 8.210 nan 0.000 0.470 309 I N 2.365 122.962 120.570 0.045 0.000 2.460 309 I HA 0.582 4.752 4.170 -0.000 0.000 0.298 309 I C -0.504 175.575 176.117 -0.064 0.000 0.989 309 I CA -0.385 60.937 61.300 0.036 0.000 1.173 309 I CB 1.689 39.716 38.000 0.045 0.000 1.338 309 I HN 0.442 nan 8.210 nan 0.000 0.456 310 E N 5.922 126.061 120.200 -0.103 0.000 2.873 310 E HA 0.274 4.624 4.350 -0.000 0.000 0.232 310 E C -2.145 174.284 176.600 -0.286 0.000 1.123 310 E CA -1.500 54.820 56.400 -0.133 0.000 0.809 310 E CB 1.299 30.984 29.700 -0.024 0.000 1.366 310 E HN 0.562 nan 8.360 nan 0.000 0.400 311 P HA -0.060 nan 4.420 nan 0.000 0.233 311 P C 0.366 177.504 177.300 -0.271 0.000 1.167 311 P CA 0.792 63.385 63.100 -0.845 0.000 0.770 311 P CB 0.387 31.623 31.700 -0.773 0.000 0.837 312 E N -0.787 119.321 120.200 -0.152 0.000 2.538 312 E HA 0.383 4.733 4.350 -0.000 0.000 0.207 312 E C 0.761 177.339 176.600 -0.037 0.000 1.002 312 E CA -0.042 56.323 56.400 -0.059 0.000 0.952 312 E CB 0.368 30.037 29.700 -0.051 0.000 1.031 312 E HN 0.122 nan 8.360 nan 0.000 0.476 313 G N 1.076 109.850 108.800 -0.043 0.000 2.526 313 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.250 313 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.250 313 G C -1.004 173.838 174.900 -0.096 0.000 1.289 313 G CA -0.997 44.083 45.100 -0.033 0.000 0.947 313 G HN -0.065 nan 8.290 nan 0.000 0.517 314 K N 0.075 120.358 120.400 -0.194 0.000 2.090 314 K HA 0.437 4.757 4.320 -0.000 0.000 0.249 314 K C 1.153 177.583 176.600 -0.282 0.000 0.995 314 K CA -0.610 55.433 56.287 -0.407 0.000 0.914 314 K CB 0.822 32.723 32.500 -0.998 0.000 1.057 314 K HN 0.538 nan 8.250 nan 0.000 0.462 315 N N -0.268 118.329 118.700 -0.172 0.000 2.422 315 N HA -0.021 4.719 4.740 -0.000 0.000 0.181 315 N C -0.278 175.345 175.510 0.188 0.000 1.080 315 N CA 0.276 53.365 53.050 0.065 0.000 0.893 315 N CB -0.016 38.612 38.487 0.236 0.000 0.973 315 N HN 0.492 nan 8.380 nan 0.000 0.456 316 Y N -1.451 119.003 120.300 0.257 0.000 2.432 316 Y HA 0.693 5.243 4.550 -0.000 0.000 0.322 316 Y C 0.079 175.994 175.900 0.024 0.000 1.246 316 Y CA -0.954 57.247 58.100 0.169 0.000 1.268 316 Y CB 0.623 39.101 38.460 0.029 0.000 1.276 316 Y HN -0.357 nan 8.280 nan 0.000 0.499 317 T N 2.653 117.330 114.554 0.205 0.000 2.886 317 T HA 0.549 4.899 4.350 -0.000 0.000 0.292 317 T C -0.972 173.708 174.700 -0.034 0.000 1.012 317 T CA -0.633 61.501 62.100 0.057 0.000 0.982 317 T CB 0.755 69.687 68.868 0.106 0.000 1.018 317 T HN 0.580 nan 8.240 nan 0.000 0.451 318 I N 2.969 123.421 120.570 -0.196 0.000 2.382 318 I HA 0.322 4.492 4.170 -0.000 0.000 0.285 318 I C -0.016 176.033 176.117 -0.114 0.000 1.007 318 I CA -0.552 60.587 61.300 -0.268 0.000 1.142 318 I CB 1.705 39.361 38.000 -0.573 0.000 1.289 318 I HN 0.469 nan 8.210 nan 0.000 0.453 319 T N 5.278 119.803 114.554 -0.049 0.000 2.874 319 T HA 0.483 4.832 4.350 -0.000 0.000 0.321 319 T C 0.847 175.569 174.700 0.037 0.000 1.075 319 T CA 0.283 62.401 62.100 0.030 0.000 0.966 319 T CB 1.267 70.157 68.868 0.036 0.000 1.001 319 T HN 1.035 nan 8.240 nan 0.000 0.476 320 G N 4.284 113.131 108.800 0.078 0.000 2.677 320 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.321 320 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.321 320 G C 0.479 175.364 174.900 -0.025 0.000 1.181 320 G CA 0.723 45.853 45.100 0.050 0.000 0.965 320 G HN 0.626 nan 8.290 nan 0.000 0.548 321 D N 0.851 121.165 120.400 -0.143 0.000 2.474 321 D HA 0.230 4.870 4.640 -0.000 0.000 0.213 321 D C 1.212 177.221 176.300 -0.485 0.000 1.120 321 D CA -0.002 53.773 54.000 -0.376 0.000 0.836 321 D CB 0.210 40.608 40.800 -0.669 0.000 1.019 321 D HN 0.413 nan 8.370 nan 0.000 0.507 322 M N 1.294 120.738 119.600 -0.260 0.000 2.217 322 M HA 0.217 4.697 4.480 -0.000 0.000 0.352 322 M C -0.030 176.094 176.300 -0.292 0.000 1.376 322 M CA 0.438 55.615 55.300 -0.205 0.000 1.107 322 M CB 1.174 33.792 32.600 0.031 0.000 1.723 322 M HN -0.265 nan 8.290 nan 0.000 0.461 323 I N 3.162 123.409 120.570 -0.538 0.000 2.378 323 I HA 0.283 4.453 4.170 -0.000 0.000 0.291 323 I C -0.134 175.777 176.117 -0.343 0.000 0.992 323 I CA -0.558 60.388 61.300 -0.591 0.000 1.154 323 I CB 1.102 38.432 38.000 -1.117 0.000 1.315 323 I HN 0.609 nan 8.210 nan 0.000 0.448 324 H N 6.166 125.149 119.070 -0.145 0.000 2.469 324 H HA 0.325 4.881 4.556 -0.000 0.000 0.342 324 H C -2.085 173.383 175.328 0.233 0.000 1.115 324 H CA -0.626 55.441 56.048 0.031 0.000 1.204 324 H CB 1.908 31.686 29.762 0.028 0.000 1.492 324 H HN 0.735 nan 8.280 nan 0.000 0.499 325 W N 8.350 129.289 121.300 -0.602 0.000 3.473 325 W HA 0.255 4.915 4.660 -0.000 0.000 0.324 325 W C -0.629 175.735 176.519 -0.258 0.000 1.099 325 W CA -0.461 56.687 57.345 -0.328 0.000 1.277 325 W CB 0.414 29.862 29.460 -0.019 0.000 1.216 325 W HN 0.876 nan 8.180 nan 0.000 0.423 326 R N 2.416 122.449 120.500 -0.780 0.000 3.772 326 R HA -0.365 3.975 4.340 -0.000 0.000 0.480 326 R C 0.580 176.605 176.300 -0.459 0.000 0.241 326 R CA 2.060 57.754 56.100 -0.676 0.000 1.508 326 R CB -1.291 28.391 30.300 -1.030 0.000 0.956 326 R HN 0.811 nan 8.270 nan 0.000 0.583 327 N N -0.274 118.121 118.700 -0.509 0.000 2.322 327 N HA 0.084 4.824 4.740 -0.000 0.000 0.194 327 N C -0.223 174.895 175.510 -0.652 0.000 1.126 327 N CA -0.108 52.531 53.050 -0.684 0.000 0.845 327 N CB 0.127 37.860 38.487 -1.258 0.000 0.976 327 N HN 0.218 nan 8.380 nan 0.000 0.475 328 W N 1.054 122.253 121.300 -0.168 0.000 2.449 328 W HA 0.393 5.053 4.660 -0.000 0.000 0.331 328 W C -0.141 176.466 176.519 0.147 0.000 1.119 328 W CA -0.580 56.817 57.345 0.087 0.000 1.240 328 W CB 1.085 30.702 29.460 0.263 0.000 1.251 328 W HN -0.173 nan 8.180 nan 0.000 0.576 329 D N 2.517 123.252 120.400 0.559 0.000 2.964 329 D HA 0.403 5.043 4.640 -0.000 0.000 0.234 329 D C -1.092 175.488 176.300 0.466 0.000 1.223 329 D CA -0.257 53.980 54.000 0.396 0.000 0.889 329 D CB 2.296 43.295 40.800 0.331 0.000 1.609 329 D HN 0.246 nan 8.370 nan 0.000 0.523 330 F N -0.753 119.250 119.950 0.088 0.000 2.817 330 F HA 0.442 4.969 4.527 -0.000 0.000 0.317 330 F C -1.684 174.098 175.800 -0.030 0.000 1.168 330 F CA -0.938 57.080 58.000 0.031 0.000 0.911 330 F CB 1.721 40.672 39.000 -0.082 0.000 1.337 330 F HN 0.181 nan 8.300 nan 0.000 0.464 331 H N 1.865 120.914 119.070 -0.035 0.000 2.547 331 H HA 0.633 5.188 4.556 -0.000 0.000 0.342 331 H C -2.091 173.130 175.328 -0.179 0.000 1.048 331 H CA -0.705 55.179 56.048 -0.272 0.000 1.204 331 H CB 2.142 31.599 29.762 -0.509 0.000 1.493 331 H HN 0.794 nan 8.280 nan 0.000 0.511 332 L N 4.251 125.117 121.223 -0.595 0.000 2.298 332 L HA 0.387 4.727 4.340 -0.000 0.000 0.284 332 L C -0.832 175.779 176.870 -0.430 0.000 1.013 332 L CA -0.019 54.603 54.840 -0.362 0.000 0.824 332 L CB 1.442 43.347 42.059 -0.255 0.000 1.221 332 L HN 0.452 nan 8.230 nan 0.000 0.418 333 S N 4.301 119.841 115.700 -0.267 0.000 2.600 333 S HA 0.761 5.231 4.470 -0.000 0.000 0.300 333 S C -0.938 173.532 174.600 -0.215 0.000 1.087 333 S CA -0.558 57.531 58.200 -0.186 0.000 0.965 333 S CB 1.799 64.947 63.200 -0.086 0.000 1.089 333 S HN 0.644 nan 8.310 nan 0.000 0.496 334 M N 3.539 123.036 119.600 -0.172 0.000 2.294 334 M HA 0.452 4.932 4.480 -0.000 0.000 0.335 334 M C -0.869 175.348 176.300 -0.138 0.000 1.079 334 M CA -0.351 54.834 55.300 -0.191 0.000 0.982 334 M CB 1.162 33.681 32.600 -0.135 0.000 1.651 334 M HN 0.635 nan 8.290 nan 0.000 0.437 335 N N 1.541 120.147 118.700 -0.157 0.000 2.269 335 N HA 0.311 5.051 4.740 -0.000 0.000 0.304 335 N C 0.002 175.489 175.510 -0.038 0.000 1.072 335 N CA 0.023 53.025 53.050 -0.081 0.000 0.802 335 N CB 1.718 40.157 38.487 -0.080 0.000 1.348 335 N HN 0.839 nan 8.380 nan 0.000 0.484 336 S N 2.735 118.446 115.700 0.019 0.000 2.453 336 S HA -0.070 4.400 4.470 -0.000 0.000 0.231 336 S C 1.682 176.338 174.600 0.093 0.000 1.005 336 S CA 0.463 58.703 58.200 0.067 0.000 0.949 336 S CB 0.076 63.327 63.200 0.084 0.000 0.774 336 S HN 0.687 nan 8.310 nan 0.000 0.510 337 R N 1.064 121.605 120.500 0.069 0.000 2.055 337 R HA 0.085 4.425 4.340 -0.000 0.000 0.221 337 R C 2.009 178.369 176.300 0.100 0.000 1.154 337 R CA 1.542 57.690 56.100 0.079 0.000 0.975 337 R CB -0.136 30.187 30.300 0.037 0.000 0.869 337 R HN 0.445 nan 8.270 nan 0.000 0.437 338 V N -1.957 117.987 119.914 0.050 0.000 3.621 338 V HA 0.448 4.568 4.120 -0.000 0.000 0.285 338 V C 0.821 176.775 176.094 -0.234 0.000 1.346 338 V CA 0.375 62.684 62.300 0.015 0.000 1.104 338 V CB -0.058 31.795 31.823 0.050 0.000 0.913 338 V HN 0.675 nan 8.190 nan 0.000 0.432 339 G N 1.294 109.876 108.800 -0.364 0.000 2.496 339 G HA2 -0.160 3.799 3.960 -0.000 0.000 0.243 339 G HA3 -0.160 3.799 3.960 -0.000 0.000 0.243 339 G C -2.750 171.651 174.900 -0.831 0.000 1.176 339 G CA -0.193 44.313 45.100 -0.990 0.000 0.940 339 G HN 0.586 nan 8.290 nan 0.000 0.573 340 P HA 0.498 nan 4.420 nan 0.000 0.275 340 P C -0.466 176.496 177.300 -0.562 0.000 1.228 340 P CA 0.178 62.878 63.100 -0.667 0.000 0.786 340 P CB 0.700 32.030 31.700 -0.617 0.000 0.927 341 M N 2.799 122.127 119.600 -0.454 0.000 2.259 341 M HA 0.410 4.889 4.480 -0.000 0.000 0.304 341 M C -0.392 175.665 176.300 -0.405 0.000 1.019 341 M CA -0.740 54.302 55.300 -0.429 0.000 0.922 341 M CB 1.890 34.311 32.600 -0.298 0.000 1.600 341 M HN 0.093 nan 8.290 nan 0.000 0.433 342 I N 2.291 122.552 120.570 -0.515 0.000 2.304 342 I HA 0.497 4.667 4.170 -0.000 0.000 0.291 342 I C -0.176 175.792 176.117 -0.248 0.000 1.018 342 I CA -0.109 60.980 61.300 -0.351 0.000 1.260 342 I CB 0.610 38.303 38.000 -0.512 0.000 1.390 342 I HN 0.614 nan 8.210 nan 0.000 0.475 343 S N 2.858 118.483 115.700 -0.124 0.000 2.632 343 S HA 0.495 4.965 4.470 -0.000 0.000 0.289 343 S C -0.069 174.456 174.600 -0.126 0.000 1.115 343 S CA -0.671 57.370 58.200 -0.265 0.000 0.889 343 S CB 1.875 64.852 63.200 -0.372 0.000 1.116 343 S HN 0.821 nan 8.310 nan 0.000 0.486 344 T N -1.114 113.231 114.554 -0.347 0.000 3.151 344 T HA -0.147 4.202 4.350 -0.000 0.000 0.438 344 T C -0.144 174.709 174.700 0.255 0.000 0.772 344 T CA -0.028 61.925 62.100 -0.245 0.000 2.200 344 T CB -2.288 66.553 68.868 -0.045 0.000 1.653 344 T HN 0.488 nan 8.240 nan 0.000 0.581 345 V N 3.253 123.389 119.914 0.371 0.000 2.368 345 V HA 0.638 4.758 4.120 -0.000 0.000 0.266 345 V C 1.086 177.560 176.094 0.633 0.000 1.045 345 V CA 0.021 62.629 62.300 0.513 0.000 0.899 345 V CB 0.979 33.053 31.823 0.418 0.000 1.006 345 V HN 1.027 nan 8.190 nan 0.000 0.470 346 T N 1.904 116.817 114.554 0.599 0.000 2.908 346 T HA 0.637 4.987 4.350 -0.000 0.000 0.290 346 T C -1.087 173.854 174.700 0.401 0.000 1.034 346 T CA -0.734 61.649 62.100 0.473 0.000 1.010 346 T CB 1.825 70.914 68.868 0.369 0.000 1.068 346 T HN 0.393 nan 8.240 nan 0.000 0.481 347 Y N 2.172 122.546 120.300 0.124 0.000 2.328 347 Y HA 0.469 5.019 4.550 -0.000 0.000 0.337 347 Y C 0.188 176.108 175.900 0.033 0.000 0.966 347 Y CA -1.041 56.990 58.100 -0.114 0.000 1.136 347 Y CB 1.268 39.591 38.460 -0.228 0.000 1.170 347 Y HN 0.894 nan 8.280 nan 0.000 0.470 348 N N 4.605 123.114 118.700 -0.318 0.000 2.421 348 N HA -0.007 4.733 4.740 -0.000 0.000 0.260 348 N C -1.227 174.287 175.510 0.007 0.000 1.173 348 N CA -0.096 52.887 53.050 -0.112 0.000 0.960 348 N CB 0.102 38.513 38.487 -0.126 0.000 1.273 348 N HN 0.519 nan 8.380 nan 0.000 0.497 349 D N 3.414 123.970 120.400 0.260 0.000 2.422 349 D HA 0.029 4.669 4.640 -0.000 0.000 0.227 349 D C 0.023 176.418 176.300 0.159 0.000 1.190 349 D CA 0.208 54.416 54.000 0.347 0.000 0.905 349 D CB -0.551 40.489 40.800 0.401 0.000 1.034 349 D HN 0.743 nan 8.370 nan 0.000 0.507 350 N N 3.264 122.027 118.700 0.104 0.000 2.708 350 N HA -0.283 4.457 4.740 -0.000 0.000 0.249 350 N C 0.750 176.278 175.510 0.029 0.000 1.097 350 N CA 0.987 54.067 53.050 0.050 0.000 0.710 350 N CB -0.876 37.642 38.487 0.052 0.000 1.032 350 N HN 0.755 nan 8.380 nan 0.000 0.551 351 G N -2.319 106.495 108.800 0.023 0.000 2.201 351 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.212 351 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.212 351 G C -0.021 174.889 174.900 0.016 0.000 0.994 351 G CA 0.378 45.484 45.100 0.010 0.000 0.644 351 G HN 0.474 nan 8.290 nan 0.000 0.508 352 T N 1.595 116.170 114.554 0.035 0.000 2.791 352 T HA 0.514 4.864 4.350 -0.000 0.000 0.288 352 T C -0.061 174.676 174.700 0.060 0.000 0.999 352 T CA -0.491 61.628 62.100 0.032 0.000 0.952 352 T CB 1.585 70.464 68.868 0.018 0.000 0.938 352 T HN 0.293 nan 8.240 nan 0.000 0.444 353 K N 3.391 123.823 120.400 0.054 0.000 2.378 353 K HA 0.274 4.594 4.320 -0.000 0.000 0.288 353 K C 0.264 176.915 176.600 0.085 0.000 1.057 353 K CA -0.062 56.279 56.287 0.090 0.000 0.971 353 K CB 0.659 33.217 32.500 0.096 0.000 0.975 353 K HN 0.351 nan 8.250 nan 0.000 0.475 354 R N 2.692 123.284 120.500 0.154 0.000 2.407 354 R HA 0.199 4.539 4.340 -0.000 0.000 0.303 354 R C -0.372 176.034 176.300 0.177 0.000 0.981 354 R CA -0.805 55.379 56.100 0.140 0.000 0.905 354 R CB 1.224 31.646 30.300 0.203 0.000 1.099 354 R HN 0.357 nan 8.270 nan 0.000 0.459 355 K N 1.221 121.629 120.400 0.013 0.000 2.448 355 K HA 0.035 4.355 4.320 -0.000 0.000 0.278 355 K C 0.294 177.014 176.600 0.201 0.000 1.009 355 K CA -0.146 56.123 56.287 -0.030 0.000 0.995 355 K CB 0.887 33.116 32.500 -0.452 0.000 0.917 355 K HN 0.324 nan 8.250 nan 0.000 0.481 356 V N 2.050 122.129 119.914 0.274 0.000 3.054 356 V HA 0.144 4.264 4.120 -0.000 0.000 0.227 356 V C 0.046 176.216 176.094 0.126 0.000 1.252 356 V CA 0.062 62.427 62.300 0.108 0.000 1.279 356 V CB 0.321 32.211 31.823 0.112 0.000 1.118 356 V HN 0.769 nan 8.190 nan 0.000 0.504 357 M N -1.122 118.649 119.600 0.285 0.000 2.267 357 M HA 0.392 4.872 4.480 -0.000 0.000 0.289 357 M C 0.014 176.502 176.300 0.313 0.000 1.043 357 M CA -0.619 54.809 55.300 0.215 0.000 0.928 357 M CB 2.286 34.926 32.600 0.067 0.000 1.613 357 M HN 0.282 nan 8.290 nan 0.000 0.450 358 Y N 3.454 123.843 120.300 0.148 0.000 2.153 358 Y HA 0.237 4.787 4.550 -0.000 0.000 0.289 358 Y C -0.027 175.732 175.900 -0.234 0.000 1.127 358 Y CA 1.695 59.721 58.100 -0.124 0.000 1.131 358 Y CB 0.459 38.824 38.460 -0.159 0.000 0.995 358 Y HN 0.742 nan 8.280 nan 0.000 0.505 359 E N -0.603 119.390 120.200 -0.346 0.000 2.321 359 E HA 0.499 4.849 4.350 -0.000 0.000 0.281 359 E C -1.360 175.094 176.600 -0.244 0.000 0.910 359 E CA -0.410 55.734 56.400 -0.428 0.000 0.770 359 E CB 1.523 30.899 29.700 -0.541 0.000 1.225 359 E HN 0.331 nan 8.360 nan 0.000 0.417 360 G N 1.355 109.998 108.800 -0.261 0.000 2.571 360 G HA2 0.674 4.634 3.960 -0.000 0.000 0.304 360 G HA3 0.674 4.634 3.960 -0.000 0.000 0.304 360 G C -1.162 173.543 174.900 -0.326 0.000 1.314 360 G CA -0.207 44.789 45.100 -0.173 0.000 0.975 360 G HN 0.631 nan 8.290 nan 0.000 0.485 361 S N 0.557 116.239 115.700 -0.030 0.000 2.595 361 S HA 0.527 4.997 4.470 -0.000 0.000 0.270 361 S C -1.024 173.800 174.600 0.373 0.000 1.145 361 S CA -0.819 57.374 58.200 -0.012 0.000 0.825 361 S CB 1.188 64.299 63.200 -0.148 0.000 1.107 361 S HN 1.493 nan 8.310 nan 0.000 0.461 362 L N 2.209 123.658 121.223 0.376 0.000 2.593 362 L HA 0.470 4.810 4.340 -0.000 0.000 0.287 362 L C 1.259 178.193 176.870 0.107 0.000 1.243 362 L CA 1.816 56.791 54.840 0.225 0.000 0.890 362 L CB 0.131 42.173 42.059 -0.028 0.000 1.134 362 L HN 1.055 nan 8.230 nan 0.000 0.502 363 G N 2.632 111.470 108.800 0.064 0.000 2.556 363 G HA2 0.513 4.473 3.960 -0.000 0.000 0.209 363 G HA3 0.513 4.473 3.960 -0.000 0.000 0.209 363 G C 0.368 175.326 174.900 0.097 0.000 1.159 363 G CA 0.503 45.670 45.100 0.111 0.000 0.828 363 G HN 1.133 nan 8.290 nan 0.000 0.553 364 G N -0.848 107.909 108.800 -0.073 0.000 2.466 364 G HA2 0.562 4.522 3.960 -0.000 0.000 0.291 364 G HA3 0.562 4.522 3.960 -0.000 0.000 0.291 364 G C -1.120 173.698 174.900 -0.136 0.000 1.460 364 G CA -0.333 44.704 45.100 -0.104 0.000 0.791 364 G HN 0.775 nan 8.290 nan 0.000 0.505 365 M N -0.649 118.945 119.600 -0.009 0.000 2.622 365 M HA 0.903 5.383 4.480 -0.000 0.000 0.276 365 M C -1.817 174.570 176.300 0.145 0.000 1.265 365 M CA -1.073 54.268 55.300 0.068 0.000 0.850 365 M CB 2.713 35.346 32.600 0.057 0.000 1.720 365 M HN 0.819 nan 8.290 nan 0.000 0.465 366 I N 1.448 122.090 120.570 0.120 0.000 2.827 366 I HA 0.688 4.858 4.170 -0.000 0.000 0.298 366 I C -1.847 174.293 176.117 0.039 0.000 1.235 366 I CA -0.880 60.501 61.300 0.133 0.000 1.021 366 I CB 2.589 40.688 38.000 0.164 0.000 1.259 366 I HN 0.664 nan 8.210 nan 0.000 0.427 367 V N 7.833 127.828 119.914 0.136 0.000 2.383 367 V HA 0.419 4.539 4.120 -0.000 0.000 0.264 367 V C -2.479 173.752 176.094 0.229 0.000 1.001 367 V CA -0.985 61.364 62.300 0.082 0.000 0.828 367 V CB 0.840 32.720 31.823 0.094 0.000 1.069 367 V HN 0.548 nan 8.190 nan 0.000 0.451 368 P HA 0.533 nan 4.420 nan 0.000 0.290 368 P C -1.504 175.956 177.300 0.267 0.000 1.283 368 P CA -0.554 62.757 63.100 0.351 0.000 0.869 368 P CB 1.864 33.792 31.700 0.380 0.000 1.100 369 Y N -0.638 119.885 120.300 0.371 0.000 2.567 369 Y HA 0.523 5.072 4.550 -0.000 0.000 0.333 369 Y C 1.819 177.828 175.900 0.183 0.000 1.106 369 Y CA 0.082 58.355 58.100 0.289 0.000 1.157 369 Y CB 1.434 40.099 38.460 0.343 0.000 1.277 369 Y HN 0.462 nan 8.280 nan 0.000 0.490 370 G N -0.514 108.394 108.800 0.180 0.000 2.986 370 G HA2 -0.046 3.914 3.960 -0.000 0.000 0.213 370 G HA3 -0.046 3.914 3.960 -0.000 0.000 0.213 370 G C -0.226 174.654 174.900 -0.033 0.000 1.156 370 G CA 0.028 45.131 45.100 0.005 0.000 0.763 370 G HN 0.511 nan 8.290 nan 0.000 0.547 371 D N 0.653 121.021 120.400 -0.053 0.000 2.225 371 D HA 0.226 4.866 4.640 -0.000 0.000 0.248 371 D C -1.496 174.682 176.300 -0.203 0.000 1.096 371 D CA -1.778 51.996 54.000 -0.377 0.000 0.863 371 D CB 2.909 43.439 40.800 -0.451 0.000 1.156 371 D HN 0.014 nan 8.370 nan 0.000 0.450 372 P HA 0.083 nan 4.420 nan 0.000 0.239 372 P C -0.061 177.257 177.300 0.030 0.000 1.188 372 P CA -0.088 62.944 63.100 -0.115 0.000 0.794 372 P CB 0.709 32.277 31.700 -0.220 0.000 0.937 373 D N 0.060 120.449 120.400 -0.019 0.000 2.335 373 D HA -0.053 4.587 4.640 -0.000 0.000 0.236 373 D C 1.598 178.087 176.300 0.315 0.000 1.297 373 D CA -0.224 53.852 54.000 0.127 0.000 0.906 373 D CB 0.312 41.186 40.800 0.124 0.000 1.164 373 D HN -0.182 nan 8.370 nan 0.000 0.469 374 I N 0.763 121.500 120.570 0.279 0.000 2.185 374 I HA -0.170 4.000 4.170 -0.000 0.000 0.246 374 I C 1.994 178.292 176.117 0.302 0.000 1.088 374 I CA 1.837 63.327 61.300 0.317 0.000 1.347 374 I CB -0.585 37.526 38.000 0.185 0.000 1.041 374 I HN 0.493 nan 8.210 nan 0.000 0.415 375 G N -2.779 106.141 108.800 0.200 0.000 3.189 375 G HA2 -0.045 3.915 3.960 -0.000 0.000 0.225 375 G HA3 -0.045 3.915 3.960 -0.000 0.000 0.225 375 G C 0.785 175.341 174.900 -0.573 0.000 1.159 375 G CA -0.035 45.028 45.100 -0.061 0.000 0.763 375 G HN 0.470 nan 8.290 nan 0.000 0.549 376 W N -1.034 120.113 121.300 -0.255 0.000 3.097 376 W HA 0.196 4.856 4.660 -0.000 0.000 0.245 376 W C 2.018 178.281 176.519 -0.426 0.000 1.120 376 W CA -0.256 56.850 57.345 -0.398 0.000 1.468 376 W CB -0.275 29.073 29.460 -0.186 0.000 0.851 376 W HN 0.235 nan 8.180 nan 0.000 0.692 377 Y N 0.463 120.782 120.300 0.032 0.000 2.384 377 Y HA -0.201 4.349 4.550 -0.000 0.000 0.289 377 Y C 1.533 177.551 175.900 0.197 0.000 1.152 377 Y CA 1.207 59.371 58.100 0.107 0.000 1.258 377 Y CB -1.720 36.780 38.460 0.068 0.000 0.979 377 Y HN 0.087 nan 8.280 nan 0.000 0.549 378 F N -0.180 119.584 119.950 -0.310 0.000 2.720 378 F HA 0.405 4.932 4.527 -0.000 0.000 0.301 378 F C 0.872 176.709 175.800 0.061 0.000 1.103 378 F CA -1.345 56.641 58.000 -0.023 0.000 1.291 378 F CB -0.473 38.334 39.000 -0.323 0.000 1.086 378 F HN -0.215 nan 8.300 nan 0.000 0.592 379 K N 2.454 122.434 120.400 -0.700 0.000 2.361 379 K HA 0.443 4.763 4.320 -0.000 0.000 0.283 379 K C -0.821 175.850 176.600 0.118 0.000 1.078 379 K CA 0.332 56.373 56.287 -0.409 0.000 1.041 379 K CB -0.262 31.910 32.500 -0.547 0.000 0.932 379 K HN 0.409 nan 8.250 nan 0.000 0.462 380 A N 5.548 128.441 122.820 0.123 0.000 2.466 380 A HA 0.263 4.583 4.320 -0.000 0.000 0.284 380 A C -1.824 175.874 177.584 0.190 0.000 1.049 380 A CA -0.677 51.515 52.037 0.259 0.000 0.760 380 A CB 0.474 19.587 19.000 0.188 0.000 1.274 380 A HN 0.675 nan 8.150 nan 0.000 0.412 381 Y N 2.371 122.824 120.300 0.255 0.000 2.452 381 Y HA 0.358 4.908 4.550 -0.000 0.000 0.348 381 Y C 0.405 176.444 175.900 0.231 0.000 0.985 381 Y CA 0.091 58.351 58.100 0.268 0.000 1.214 381 Y CB 1.055 39.653 38.460 0.230 0.000 1.136 381 Y HN 0.564 nan 8.280 nan 0.000 0.523 382 L N 5.143 126.575 121.223 0.349 0.000 2.389 382 L HA 0.167 4.507 4.340 -0.000 0.000 0.265 382 L C 0.227 177.311 176.870 0.356 0.000 1.167 382 L CA -0.099 54.904 54.840 0.273 0.000 1.045 382 L CB 0.161 42.322 42.059 0.169 0.000 1.351 382 L HN 0.719 nan 8.230 nan 0.000 0.419 383 D N -0.574 120.033 120.400 0.345 0.000 2.097 383 D HA -0.215 4.425 4.640 -0.000 0.000 0.195 383 D C 2.154 178.673 176.300 0.365 0.000 0.989 383 D CA 1.709 55.946 54.000 0.395 0.000 0.827 383 D CB 0.158 41.131 40.800 0.289 0.000 0.966 383 D HN 0.557 nan 8.370 nan 0.000 0.456 384 S N 0.140 115.987 115.700 0.245 0.000 2.338 384 S HA -0.071 4.399 4.470 -0.000 0.000 0.218 384 S C 2.339 177.010 174.600 0.117 0.000 1.032 384 S CA 1.173 59.491 58.200 0.197 0.000 0.999 384 S CB -1.241 62.051 63.200 0.153 0.000 0.905 384 S HN 0.287 nan 8.310 nan 0.000 0.439 385 G N 1.612 110.435 108.800 0.039 0.000 2.421 385 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.216 385 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.216 385 G C 1.152 176.035 174.900 -0.028 0.000 1.171 385 G CA 1.125 46.178 45.100 -0.078 0.000 0.775 385 G HN 0.530 nan 8.290 nan 0.000 0.543 386 D N -1.171 119.265 120.400 0.060 0.000 2.289 386 D HA 0.072 4.712 4.640 -0.000 0.000 0.207 386 D C 1.409 177.588 176.300 -0.202 0.000 0.966 386 D CA 0.617 54.569 54.000 -0.081 0.000 0.868 386 D CB 0.140 40.857 40.800 -0.138 0.000 0.943 386 D HN 0.490 nan 8.370 nan 0.000 0.514 387 Y N -0.813 119.577 120.300 0.150 0.000 2.452 387 Y HA 0.337 4.887 4.550 -0.000 0.000 0.262 387 Y C 1.159 177.171 175.900 0.187 0.000 1.089 387 Y CA 0.107 58.334 58.100 0.212 0.000 1.262 387 Y CB 0.952 39.591 38.460 0.298 0.000 1.236 387 Y HN -0.103 nan 8.280 nan 0.000 0.512 388 G N 1.359 110.338 108.800 0.297 0.000 2.898 388 G HA2 -0.236 3.723 3.960 -0.000 0.000 0.267 388 G HA3 -0.236 3.723 3.960 -0.000 0.000 0.267 388 G C 0.534 175.604 174.900 0.282 0.000 1.061 388 G CA 0.220 45.460 45.100 0.233 0.000 1.230 388 G HN 0.220 nan 8.290 nan 0.000 0.569 389 M N 0.494 120.287 119.600 0.321 0.000 2.149 389 M HA -0.080 4.400 4.480 -0.000 0.000 0.261 389 M C 2.767 179.401 176.300 0.557 0.000 1.064 389 M CA 2.451 58.006 55.300 0.425 0.000 1.102 389 M CB -0.291 32.618 32.600 0.516 0.000 1.369 389 M HN 0.632 nan 8.290 nan 0.000 0.408 390 G N -0.374 108.675 108.800 0.414 0.000 2.433 390 G HA2 -0.195 3.764 3.960 -0.000 0.000 0.216 390 G HA3 -0.195 3.764 3.960 -0.000 0.000 0.216 390 G C 1.426 176.497 174.900 0.285 0.000 1.186 390 G CA 1.464 46.755 45.100 0.318 0.000 0.779 390 G HN 0.360 nan 8.290 nan 0.000 0.543 391 T N 1.149 115.836 114.554 0.221 0.000 2.759 391 T HA -0.017 4.333 4.350 -0.000 0.000 0.269 391 T C 1.982 176.796 174.700 0.190 0.000 1.042 391 T CA 0.670 62.882 62.100 0.186 0.000 1.140 391 T CB -0.146 68.829 68.868 0.178 0.000 0.864 391 T HN 0.105 nan 8.240 nan 0.000 0.455 392 L N 1.509 122.864 121.223 0.220 0.000 2.653 392 L HA 0.143 4.482 4.340 -0.000 0.000 0.232 392 L C 0.523 177.494 176.870 0.169 0.000 1.169 392 L CA -0.280 54.664 54.840 0.173 0.000 0.951 392 L CB -0.550 41.611 42.059 0.170 0.000 1.181 392 L HN 0.100 nan 8.230 nan 0.000 0.460 393 T N 0.384 115.089 114.554 0.252 0.000 2.891 393 T HA -0.048 4.302 4.350 -0.000 0.000 0.296 393 T C 0.630 175.396 174.700 0.110 0.000 1.025 393 T CA 0.443 62.691 62.100 0.247 0.000 1.149 393 T CB 0.380 69.498 68.868 0.416 0.000 1.007 393 T HN 0.158 nan 8.240 nan 0.000 0.528 394 S N 5.799 121.511 115.700 0.020 0.000 2.420 394 S HA 0.340 4.810 4.470 -0.000 0.000 0.313 394 S C -2.250 172.364 174.600 0.024 0.000 1.079 394 S CA -1.239 56.964 58.200 0.005 0.000 1.104 394 S CB 0.978 64.148 63.200 -0.050 0.000 0.969 394 S HN 0.447 nan 8.310 nan 0.000 0.471 395 P HA 0.028 nan 4.420 nan 0.000 0.262 395 P C -0.108 177.213 177.300 0.036 0.000 1.182 395 P CA -0.106 63.026 63.100 0.054 0.000 0.761 395 P CB 0.207 31.930 31.700 0.040 0.000 0.795 396 I N 2.327 122.929 120.570 0.053 0.000 2.821 396 I HA -0.079 4.091 4.170 -0.000 0.000 0.294 396 I C 1.011 177.138 176.117 0.017 0.000 1.210 396 I CA 0.208 61.531 61.300 0.040 0.000 1.430 396 I CB -0.609 37.430 38.000 0.065 0.000 1.356 396 I HN 0.368 nan 8.210 nan 0.000 0.563 397 A N 8.093 130.915 122.820 0.003 0.000 2.437 397 A HA 0.186 4.506 4.320 -0.000 0.000 0.303 397 A C 0.839 178.416 177.584 -0.012 0.000 1.324 397 A CA -0.491 51.543 52.037 -0.005 0.000 0.983 397 A CB -0.137 18.858 19.000 -0.009 0.000 1.142 397 A HN 0.775 nan 8.150 nan 0.000 0.541 398 R N 2.058 122.550 120.500 -0.012 0.000 2.523 398 R HA 0.183 4.523 4.340 -0.000 0.000 0.281 398 R C 1.464 177.749 176.300 -0.025 0.000 0.969 398 R CA 1.711 57.801 56.100 -0.017 0.000 1.093 398 R CB -0.021 30.270 30.300 -0.015 0.000 0.917 398 R HN 1.561 nan 8.270 nan 0.000 0.408 399 G N 3.189 111.963 108.800 -0.043 0.000 2.245 399 G HA2 -0.356 3.604 3.960 -0.000 0.000 0.264 399 G HA3 -0.356 3.604 3.960 -0.000 0.000 0.264 399 G C 0.708 175.578 174.900 -0.050 0.000 0.985 399 G CA 0.812 45.883 45.100 -0.048 0.000 0.625 399 G HN 0.654 nan 8.290 nan 0.000 0.536 400 K N -0.705 119.670 120.400 -0.042 0.000 2.266 400 K HA 0.151 4.471 4.320 -0.000 0.000 0.209 400 K C 1.504 178.082 176.600 -0.037 0.000 1.065 400 K CA 0.494 56.761 56.287 -0.034 0.000 0.946 400 K CB 0.026 32.515 32.500 -0.020 0.000 1.069 400 K HN 0.108 nan 8.250 nan 0.000 0.472 401 D N 0.898 121.279 120.400 -0.032 0.000 2.269 401 D HA 0.018 4.658 4.640 -0.000 0.000 0.208 401 D C 0.264 176.543 176.300 -0.036 0.000 0.963 401 D CA 0.624 54.614 54.000 -0.017 0.000 0.864 401 D CB 0.354 41.152 40.800 -0.004 0.000 0.936 401 D HN 0.176 nan 8.370 nan 0.000 0.505 402 A N 0.541 123.296 122.820 -0.109 0.000 2.515 402 A HA 0.589 4.909 4.320 -0.000 0.000 0.296 402 A C -2.644 174.735 177.584 -0.342 0.000 1.094 402 A CA -1.390 50.464 52.037 -0.305 0.000 0.718 402 A CB 1.754 20.606 19.000 -0.248 0.000 1.307 402 A HN -0.212 nan 8.150 nan 0.000 0.408 403 P HA 0.089 nan 4.420 nan 0.000 0.272 403 P C 0.778 177.966 177.300 -0.186 0.000 1.240 403 P CA 0.252 63.160 63.100 -0.320 0.000 0.791 403 P CB 0.795 32.278 31.700 -0.361 0.000 0.978 404 S N 0.028 115.680 115.700 -0.080 0.000 2.500 404 S HA -0.154 4.316 4.470 -0.000 0.000 0.239 404 S C 1.255 175.871 174.600 0.027 0.000 0.989 404 S CA 0.899 59.091 58.200 -0.013 0.000 0.951 404 S CB -1.118 62.093 63.200 0.018 0.000 0.759 404 S HN 0.658 nan 8.310 nan 0.000 0.523 405 N N 1.698 120.409 118.700 0.017 0.000 2.280 405 N HA 0.244 4.984 4.740 -0.000 0.000 0.192 405 N C 0.403 175.993 175.510 0.134 0.000 1.109 405 N CA 0.286 53.391 53.050 0.091 0.000 0.855 405 N CB -0.103 38.450 38.487 0.110 0.000 0.974 405 N HN 0.436 nan 8.380 nan 0.000 0.482 406 A N 0.726 123.586 122.820 0.066 0.000 2.386 406 A HA 0.434 4.754 4.320 -0.000 0.000 0.246 406 A C -0.126 177.577 177.584 0.199 0.000 1.089 406 A CA -0.201 51.932 52.037 0.160 0.000 0.790 406 A CB 0.610 19.637 19.000 0.046 0.000 1.042 406 A HN 0.071 nan 8.150 nan 0.000 0.497 407 V N 1.538 121.603 119.914 0.252 0.000 2.540 407 V HA 0.397 4.517 4.120 -0.000 0.000 0.302 407 V C -0.371 175.845 176.094 0.204 0.000 1.035 407 V CA -0.321 62.129 62.300 0.249 0.000 0.873 407 V CB 1.392 33.416 31.823 0.335 0.000 0.992 407 V HN 0.696 nan 8.190 nan 0.000 0.428 408 L N 5.913 127.237 121.223 0.169 0.000 2.317 408 L HA 0.632 4.972 4.340 -0.000 0.000 0.281 408 L C -0.720 176.228 176.870 0.130 0.000 1.024 408 L CA -0.551 54.367 54.840 0.129 0.000 0.810 408 L CB 1.793 43.898 42.059 0.075 0.000 1.240 408 L HN 0.373 nan 8.230 nan 0.000 0.427 409 L N 2.730 124.025 121.223 0.119 0.000 2.342 409 L HA 0.492 4.831 4.340 -0.000 0.000 0.271 409 L C -0.499 176.407 176.870 0.061 0.000 1.008 409 L CA -0.874 54.029 54.840 0.105 0.000 0.818 409 L CB 2.078 44.203 42.059 0.109 0.000 1.296 409 L HN 0.587 nan 8.230 nan 0.000 0.427 410 N N 2.029 120.745 118.700 0.026 0.000 2.498 410 N HA 0.365 5.105 4.740 -0.000 0.000 0.287 410 N C -0.842 174.675 175.510 0.012 0.000 1.097 410 N CA -0.528 52.531 53.050 0.015 0.000 0.973 410 N CB 1.799 40.279 38.487 -0.012 0.000 1.153 410 N HN 0.439 nan 8.380 nan 0.000 0.472 411 E N 0.716 120.927 120.200 0.018 0.000 2.272 411 E HA 0.359 4.709 4.350 -0.000 0.000 0.269 411 E C -0.752 175.853 176.600 0.007 0.000 0.877 411 E CA -0.552 55.850 56.400 0.003 0.000 0.755 411 E CB 2.047 31.747 29.700 0.000 0.000 1.192 411 E HN 0.333 nan 8.360 nan 0.000 0.422 412 T N 3.428 117.978 114.554 -0.006 0.000 2.771 412 T HA 0.673 5.023 4.350 -0.000 0.000 0.281 412 T C 0.567 175.264 174.700 -0.005 0.000 0.982 412 T CA -0.486 61.612 62.100 -0.003 0.000 0.978 412 T CB 0.313 69.175 68.868 -0.011 0.000 0.930 412 T HN 0.430 nan 8.240 nan 0.000 0.447 413 I N -0.463 120.112 120.570 0.007 0.000 3.457 413 I HA 0.976 5.146 4.170 -0.000 0.000 0.307 413 I C -0.679 175.441 176.117 0.004 0.000 1.138 413 I CA -1.933 59.372 61.300 0.009 0.000 0.974 413 I CB 1.691 39.710 38.000 0.031 0.000 1.324 413 I HN 0.566 nan 8.210 nan 0.000 0.485 414 A N 1.765 124.588 122.820 0.004 0.000 2.290 414 A HA 0.569 4.889 4.320 -0.000 0.000 0.310 414 A C -0.617 176.984 177.584 0.029 0.000 1.202 414 A CA -0.431 51.595 52.037 -0.018 0.000 0.837 414 A CB 0.217 19.182 19.000 -0.059 0.000 1.139 414 A HN 0.853 nan 8.150 nan 0.000 0.509 415 D N 0.651 121.060 120.400 0.016 0.000 2.380 415 D HA 0.049 4.689 4.640 -0.000 0.000 0.254 415 D C 0.706 177.073 176.300 0.112 0.000 1.288 415 D CA 0.366 54.412 54.000 0.077 0.000 1.008 415 D CB -0.063 40.758 40.800 0.034 0.000 1.099 415 D HN 0.644 nan 8.370 nan 0.000 0.537 416 Y N -3.022 117.363 120.300 0.141 0.000 2.561 416 Y HA 0.104 4.654 4.550 -0.000 0.000 0.291 416 Y C 1.714 177.803 175.900 0.315 0.000 1.141 416 Y CA 0.772 58.997 58.100 0.209 0.000 1.303 416 Y CB -0.977 37.580 38.460 0.160 0.000 1.015 416 Y HN 0.352 nan 8.280 nan 0.000 0.547 417 T N -3.391 110.909 114.554 -0.424 0.000 3.163 417 T HA 0.462 4.812 4.350 -0.000 0.000 0.252 417 T C 1.567 176.269 174.700 0.004 0.000 1.056 417 T CA 0.194 62.215 62.100 -0.132 0.000 0.947 417 T CB -0.411 68.267 68.868 -0.316 0.000 1.016 417 T HN 0.821 nan 8.240 nan 0.000 0.554 418 G N 0.602 109.307 108.800 -0.158 0.000 2.179 418 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.260 418 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.260 418 G C 0.020 174.729 174.900 -0.319 0.000 0.977 418 G CA -0.033 44.713 45.100 -0.589 0.000 0.641 418 G HN 0.689 nan 8.290 nan 0.000 0.533 419 V N 2.317 122.119 119.914 -0.187 0.000 2.465 419 V HA 0.453 4.573 4.120 -0.000 0.000 0.279 419 V C -1.528 174.511 176.094 -0.092 0.000 1.045 419 V CA -1.524 60.700 62.300 -0.126 0.000 0.938 419 V CB 1.549 33.315 31.823 -0.095 0.000 0.986 419 V HN 0.111 nan 8.190 nan 0.000 0.467 420 P HA 0.205 nan 4.420 nan 0.000 0.268 420 P C -0.671 176.614 177.300 -0.024 0.000 1.205 420 P CA 0.014 63.086 63.100 -0.048 0.000 0.771 420 P CB 0.327 32.001 31.700 -0.044 0.000 0.858 421 M N -0.183 119.414 119.600 -0.005 0.000 2.321 421 M HA 0.521 5.001 4.480 -0.000 0.000 0.315 421 M C -0.361 175.948 176.300 0.015 0.000 1.052 421 M CA -0.651 54.656 55.300 0.012 0.000 0.936 421 M CB 2.777 35.397 32.600 0.033 0.000 1.639 421 M HN 0.115 nan 8.290 nan 0.000 0.433 422 E N 3.619 123.827 120.200 0.013 0.000 2.146 422 E HA 0.434 4.784 4.350 -0.000 0.000 0.282 422 E C -1.326 175.289 176.600 0.026 0.000 0.989 422 E CA -0.527 55.881 56.400 0.013 0.000 0.799 422 E CB 1.130 30.831 29.700 0.002 0.000 1.088 422 E HN 0.782 nan 8.360 nan 0.000 0.397 423 I N 7.873 128.466 120.570 0.038 0.000 2.291 423 I HA 0.217 4.387 4.170 -0.000 0.000 0.290 423 I C -1.991 174.155 176.117 0.049 0.000 1.050 423 I CA -2.098 59.236 61.300 0.057 0.000 1.245 423 I CB 0.808 38.862 38.000 0.090 0.000 1.405 423 I HN 0.283 nan 8.210 nan 0.000 0.478 424 P HA 0.125 nan 4.420 nan 0.000 0.275 424 P C -0.399 176.925 177.300 0.040 0.000 1.227 424 P CA -0.209 62.904 63.100 0.022 0.000 0.781 424 P CB 0.652 32.355 31.700 0.005 0.000 0.906 425 R N 1.003 121.527 120.500 0.039 0.000 3.422 425 R HA -0.211 4.129 4.340 -0.000 0.000 0.267 425 R C 1.116 177.478 176.300 0.104 0.000 1.074 425 R CA 0.465 56.601 56.100 0.059 0.000 0.718 425 R CB -2.455 27.868 30.300 0.038 0.000 1.157 425 R HN 0.624 nan 8.270 nan 0.000 0.440 426 A N 0.326 123.219 122.820 0.121 0.000 1.930 426 A HA 0.069 4.389 4.320 -0.000 0.000 0.217 426 A C 1.060 178.813 177.584 0.282 0.000 1.175 426 A CA 1.001 53.155 52.037 0.195 0.000 0.627 426 A CB 0.251 19.343 19.000 0.154 0.000 0.815 426 A HN 0.366 nan 8.150 nan 0.000 0.443 427 I N -1.338 119.355 120.570 0.205 0.000 2.619 427 I HA 0.525 4.695 4.170 -0.000 0.000 0.292 427 I C -0.387 175.841 176.117 0.185 0.000 1.100 427 I CA -0.733 60.700 61.300 0.222 0.000 1.043 427 I CB 2.167 40.243 38.000 0.127 0.000 1.239 427 I HN 0.124 nan 8.210 nan 0.000 0.420 428 A N 5.887 128.843 122.820 0.227 0.000 2.292 428 A HA 0.794 5.114 4.320 -0.000 0.000 0.319 428 A C -0.762 176.964 177.584 0.236 0.000 1.206 428 A CA -0.483 51.703 52.037 0.248 0.000 0.835 428 A CB 1.247 20.433 19.000 0.309 0.000 1.164 428 A HN 0.436 nan 8.150 nan 0.000 0.505 429 V N 3.321 123.338 119.914 0.171 0.000 2.448 429 V HA 0.751 4.871 4.120 -0.000 0.000 0.295 429 V C -0.864 175.296 176.094 0.110 0.000 1.025 429 V CA -0.236 62.040 62.300 -0.039 0.000 0.859 429 V CB 0.717 32.365 31.823 -0.291 0.000 0.988 429 V HN 0.900 nan 8.190 nan 0.000 0.431 430 F N 1.289 121.130 119.950 -0.181 0.000 2.678 430 F HA 0.707 5.234 4.527 -0.000 0.000 0.308 430 F C -0.796 174.943 175.800 -0.101 0.000 1.118 430 F CA -1.139 56.830 58.000 -0.052 0.000 0.959 430 F CB 1.526 40.538 39.000 0.020 0.000 1.305 430 F HN 0.466 nan 8.300 nan 0.000 0.443 431 E N 1.902 122.224 120.200 0.202 0.000 2.242 431 E HA 0.716 5.066 4.350 -0.000 0.000 0.275 431 E C -1.051 175.673 176.600 0.206 0.000 1.002 431 E CA -0.881 55.567 56.400 0.080 0.000 0.841 431 E CB 1.460 31.300 29.700 0.233 0.000 1.109 431 E HN 0.836 nan 8.360 nan 0.000 0.394 432 R N 2.224 122.801 120.500 0.128 0.000 2.739 432 R HA 0.251 4.591 4.340 -0.000 0.000 0.271 432 R C -1.447 174.944 176.300 0.151 0.000 1.010 432 R CA -0.998 55.212 56.100 0.183 0.000 0.897 432 R CB 0.451 30.877 30.300 0.210 0.000 1.236 432 R HN 0.494 nan 8.270 nan 0.000 0.466 433 Y N 1.557 121.893 120.300 0.060 0.000 2.537 433 Y HA 0.374 4.924 4.550 -0.000 0.000 0.339 433 Y C -0.221 175.683 175.900 0.007 0.000 1.066 433 Y CA -0.009 58.111 58.100 0.034 0.000 1.357 433 Y CB 0.901 39.377 38.460 0.026 0.000 1.175 433 Y HN 0.819 nan 8.280 nan 0.000 0.525 434 A N 5.790 128.253 122.820 -0.596 0.000 2.965 434 A HA 0.609 4.929 4.320 -0.000 0.000 0.304 434 A C 0.896 178.087 177.584 -0.655 0.000 1.214 434 A CA 0.158 51.891 52.037 -0.507 0.000 0.977 434 A CB -1.037 17.787 19.000 -0.293 0.000 1.127 434 A HN 1.618 nan 8.150 nan 0.000 0.572 435 G N 0.665 108.660 108.800 -1.340 0.000 2.741 435 G HA2 -0.125 3.835 3.960 -0.000 0.000 0.222 435 G HA3 -0.125 3.835 3.960 -0.000 0.000 0.222 435 G C -2.986 171.684 174.900 -0.383 0.000 1.364 435 G CA -0.465 44.226 45.100 -0.682 0.000 0.866 435 G HN 0.421 nan 8.290 nan 0.000 0.555 436 P HA 0.257 nan 4.420 nan 0.000 0.271 436 P C 0.520 177.767 177.300 -0.089 0.000 1.226 436 P CA 0.185 63.255 63.100 -0.049 0.000 0.765 436 P CB 1.558 33.261 31.700 0.005 0.000 0.835 437 E N 4.323 124.438 120.200 -0.141 0.000 2.077 437 E HA -0.146 4.203 4.350 -0.000 0.000 0.193 437 E C 0.015 176.605 176.600 -0.017 0.000 0.989 437 E CA 1.702 58.029 56.400 -0.122 0.000 0.800 437 E CB -0.332 29.235 29.700 -0.220 0.000 0.746 437 E HN 0.590 nan 8.360 nan 0.000 0.452 438 Y N -2.857 117.451 120.300 0.013 0.000 2.656 438 Y HA 0.625 5.175 4.550 -0.000 0.000 0.334 438 Y C -1.151 174.767 175.900 0.031 0.000 1.179 438 Y CA -1.707 56.402 58.100 0.014 0.000 1.050 438 Y CB 0.725 39.188 38.460 0.004 0.000 1.308 438 Y HN -0.136 nan 8.280 nan 0.000 0.456 439 K N 1.279 121.873 120.400 0.323 0.000 2.543 439 K HA 0.532 4.852 4.320 -0.000 0.000 0.255 439 K C -2.574 174.182 176.600 0.261 0.000 0.934 439 K CA -0.812 55.620 56.287 0.242 0.000 0.810 439 K CB 1.976 34.552 32.500 0.126 0.000 1.315 439 K HN 1.011 nan 8.250 nan 0.000 0.433 440 H N 2.212 121.344 119.070 0.104 0.000 3.108 440 H HA 0.232 4.788 4.556 -0.000 0.000 0.329 440 H C -1.605 173.747 175.328 0.039 0.000 0.978 440 H CA -0.350 55.728 56.048 0.050 0.000 1.413 440 H CB 1.715 31.489 29.762 0.020 0.000 1.670 440 H HN 0.546 nan 8.280 nan 0.000 0.512 441 Q N 3.653 123.235 119.800 -0.363 0.000 2.571 441 Q HA 0.205 4.545 4.340 -0.000 0.000 0.222 441 Q C -0.588 175.054 176.000 -0.596 0.000 1.167 441 Q CA -0.600 55.007 55.803 -0.326 0.000 0.966 441 Q CB 0.298 28.945 28.738 -0.151 0.000 1.274 441 Q HN 0.613 nan 8.270 nan 0.000 0.552 442 E N 2.839 122.641 120.200 -0.663 0.000 2.398 442 E HA 0.091 4.441 4.350 -0.000 0.000 0.263 442 E C -0.636 175.863 176.600 -0.168 0.000 1.046 442 E CA -0.161 56.004 56.400 -0.391 0.000 0.908 442 E CB 0.530 30.187 29.700 -0.071 0.000 0.963 442 E HN 0.765 nan 8.360 nan 0.000 0.431 443 M N 3.967 123.515 119.600 -0.086 0.000 2.239 443 M HA 0.251 4.730 4.480 -0.000 0.000 0.348 443 M C 0.974 177.254 176.300 -0.032 0.000 1.239 443 M CA 1.403 56.672 55.300 -0.051 0.000 1.114 443 M CB 0.266 32.851 32.600 -0.024 0.000 1.641 443 M HN 0.701 nan 8.290 nan 0.000 0.453 444 G N 2.408 111.190 108.800 -0.029 0.000 2.212 444 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.267 444 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.267 444 G C -0.183 174.706 174.900 -0.019 0.000 1.002 444 G CA 0.475 45.563 45.100 -0.020 0.000 0.729 444 G HN 0.712 nan 8.290 nan 0.000 0.517 445 Q N -0.669 119.114 119.800 -0.028 0.000 2.359 445 Q HA 0.502 4.842 4.340 -0.000 0.000 0.275 445 Q C -2.632 173.354 176.000 -0.023 0.000 1.082 445 Q CA -2.013 53.778 55.803 -0.020 0.000 0.849 445 Q CB 1.249 29.977 28.738 -0.016 0.000 1.377 445 Q HN 0.112 nan 8.270 nan 0.000 0.452 446 P HA -0.008 nan 4.420 nan 0.000 0.267 446 P C -0.022 177.273 177.300 -0.008 0.000 1.209 446 P CA 0.023 63.119 63.100 -0.007 0.000 0.763 446 P CB 0.389 32.090 31.700 0.002 0.000 0.816 447 N N 2.306 120.998 118.700 -0.012 0.000 2.381 447 N HA 0.050 4.790 4.740 -0.000 0.000 0.241 447 N C -1.098 174.426 175.510 0.025 0.000 1.279 447 N CA 0.130 53.173 53.050 -0.012 0.000 0.896 447 N CB 0.499 38.979 38.487 -0.011 0.000 1.118 447 N HN 0.026 nan 8.380 nan 0.000 0.438 448 V N 1.532 121.480 119.914 0.057 0.000 2.483 448 V HA 0.379 4.499 4.120 -0.000 0.000 0.297 448 V C -0.598 175.578 176.094 0.137 0.000 1.027 448 V CA -0.588 61.781 62.300 0.115 0.000 0.855 448 V CB 1.451 33.373 31.823 0.164 0.000 0.995 448 V HN 0.686 nan 8.190 nan 0.000 0.424 449 S N 2.480 118.231 115.700 0.085 0.000 2.540 449 S HA 0.843 5.313 4.470 -0.000 0.000 0.275 449 S C -0.345 174.199 174.600 -0.093 0.000 1.123 449 S CA -0.706 57.504 58.200 0.018 0.000 0.907 449 S CB 2.360 65.570 63.200 0.015 0.000 1.081 449 S HN 0.958 nan 8.310 nan 0.000 0.476 450 T N -0.733 113.652 114.554 -0.282 0.000 2.906 450 T HA 0.662 5.012 4.350 -0.000 0.000 0.295 450 T C -0.964 173.613 174.700 -0.205 0.000 1.061 450 T CA -1.109 60.804 62.100 -0.312 0.000 1.000 450 T CB 1.410 69.915 68.868 -0.605 0.000 1.103 450 T HN 0.649 nan 8.240 nan 0.000 0.486 451 E N 1.560 121.713 120.200 -0.077 0.000 2.283 451 E HA 0.386 4.736 4.350 -0.000 0.000 0.278 451 E C -0.149 176.431 176.600 -0.033 0.000 1.027 451 E CA -1.047 55.373 56.400 0.033 0.000 0.843 451 E CB 1.290 31.118 29.700 0.213 0.000 1.062 451 E HN 0.634 nan 8.360 nan 0.000 0.401 452 R N 2.475 122.917 120.500 -0.097 0.000 2.389 452 R HA 0.162 4.502 4.340 -0.000 0.000 0.295 452 R C -0.612 175.660 176.300 -0.047 0.000 1.075 452 R CA -0.491 55.555 56.100 -0.089 0.000 1.005 452 R CB 0.570 30.784 30.300 -0.143 0.000 0.987 452 R HN 0.500 nan 8.270 nan 0.000 0.452 453 R N 3.281 123.830 120.500 0.082 0.000 2.562 453 R HA 0.321 4.661 4.340 -0.000 0.000 0.298 453 R C -0.815 175.627 176.300 0.236 0.000 0.961 453 R CA -0.686 55.529 56.100 0.192 0.000 0.881 453 R CB 1.872 32.384 30.300 0.354 0.000 1.159 453 R HN 0.723 nan 8.270 nan 0.000 0.450 454 E N 1.379 121.616 120.200 0.061 0.000 2.256 454 E HA 0.399 4.749 4.350 -0.000 0.000 0.267 454 E C -0.956 175.450 176.600 -0.323 0.000 0.892 454 E CA -1.080 55.252 56.400 -0.113 0.000 0.775 454 E CB 2.515 32.002 29.700 -0.355 0.000 1.207 454 E HN 0.108 nan 8.360 nan 0.000 0.420 455 L N 2.663 123.498 121.223 -0.647 0.000 2.307 455 L HA 0.461 4.801 4.340 -0.000 0.000 0.284 455 L C -1.427 175.092 176.870 -0.584 0.000 1.023 455 L CA -0.614 53.685 54.840 -0.901 0.000 0.810 455 L CB 1.545 42.669 42.059 -1.557 0.000 1.231 455 L HN 0.320 nan 8.230 nan 0.000 0.423 456 V N 5.347 124.811 119.914 -0.749 0.000 2.604 456 V HA 0.545 4.664 4.120 -0.000 0.000 0.305 456 V C -0.611 175.163 176.094 -0.533 0.000 1.043 456 V CA -0.771 61.110 62.300 -0.699 0.000 0.888 456 V CB 1.973 33.079 31.823 -1.194 0.000 0.995 456 V HN 0.484 nan 8.190 nan 0.000 0.429 457 V N 5.062 124.878 119.914 -0.164 0.000 2.357 457 V HA 0.553 4.672 4.120 -0.000 0.000 0.284 457 V C 0.005 176.217 176.094 0.198 0.000 1.018 457 V CA -0.587 61.722 62.300 0.016 0.000 0.841 457 V CB 1.367 33.242 31.823 0.086 0.000 0.991 457 V HN 0.884 nan 8.190 nan 0.000 0.437 458 R N 3.824 124.479 120.500 0.258 0.000 2.494 458 R HA 0.549 4.889 4.340 -0.000 0.000 0.305 458 R C -1.905 174.673 176.300 0.464 0.000 0.959 458 R CA -0.579 55.755 56.100 0.391 0.000 0.864 458 R CB 1.693 32.260 30.300 0.445 0.000 1.159 458 R HN 0.688 nan 8.270 nan 0.000 0.446 459 W N 7.006 128.485 121.300 0.297 0.000 2.883 459 W HA 0.551 5.211 4.660 -0.000 0.000 0.335 459 W C -1.789 174.915 176.519 0.308 0.000 1.083 459 W CA -0.830 56.677 57.345 0.270 0.000 1.233 459 W CB 1.150 30.774 29.460 0.273 0.000 1.412 459 W HN 0.408 nan 8.180 nan 0.000 0.490 460 I N 5.449 125.804 120.570 -0.358 0.000 2.465 460 I HA 0.429 4.599 4.170 -0.000 0.000 0.291 460 I C -0.330 175.365 176.117 -0.703 0.000 1.014 460 I CA -0.992 60.031 61.300 -0.462 0.000 1.093 460 I CB 1.891 39.774 38.000 -0.194 0.000 1.267 460 I HN 0.369 nan 8.210 nan 0.000 0.431 461 S N 3.594 118.915 115.700 -0.631 0.000 2.571 461 S HA 0.620 5.090 4.470 -0.000 0.000 0.284 461 S C -0.769 173.763 174.600 -0.112 0.000 1.128 461 S CA -0.283 57.697 58.200 -0.367 0.000 0.970 461 S CB 1.778 64.697 63.200 -0.468 0.000 1.039 461 S HN 0.595 nan 8.310 nan 0.000 0.485 462 T N 3.608 118.134 114.554 -0.046 0.000 2.792 462 T HA 0.534 4.884 4.350 -0.000 0.000 0.280 462 T C -0.951 173.766 174.700 0.027 0.000 0.990 462 T CA -0.453 61.616 62.100 -0.052 0.000 0.960 462 T CB 1.343 70.163 68.868 -0.080 0.000 0.939 462 T HN 0.459 nan 8.240 nan 0.000 0.439 463 V N 3.789 123.725 119.914 0.036 0.000 2.320 463 V HA 0.604 4.724 4.120 -0.000 0.000 0.268 463 V C 1.081 177.158 176.094 -0.027 0.000 1.021 463 V CA 0.189 62.517 62.300 0.046 0.000 0.813 463 V CB 0.077 31.956 31.823 0.094 0.000 1.054 463 V HN 1.253 nan 8.190 nan 0.000 0.444 464 G N 5.642 114.492 108.800 0.084 0.000 2.675 464 G HA2 -0.417 3.543 3.960 -0.000 0.000 0.312 464 G HA3 -0.417 3.543 3.960 -0.000 0.000 0.312 464 G C 0.840 175.671 174.900 -0.115 0.000 1.186 464 G CA 1.231 46.450 45.100 0.199 0.000 0.965 464 G HN 0.890 nan 8.290 nan 0.000 0.548 465 N N -1.296 116.972 118.700 -0.720 0.000 2.402 465 N HA 0.252 4.991 4.740 -0.000 0.000 0.174 465 N C 0.975 175.955 175.510 -0.884 0.000 1.027 465 N CA 0.437 52.667 53.050 -1.367 0.000 0.891 465 N CB 0.117 37.245 38.487 -2.266 0.000 1.016 465 N HN 0.604 nan 8.380 nan 0.000 0.439 466 Y N 0.735 120.667 120.300 -0.613 0.000 2.334 466 Y HA 0.290 4.840 4.550 -0.000 0.000 0.328 466 Y C -0.719 174.765 175.900 -0.693 0.000 1.130 466 Y CA -1.175 56.549 58.100 -0.627 0.000 1.163 466 Y CB 1.219 39.350 38.460 -0.548 0.000 1.207 466 Y HN 0.012 nan 8.280 nan 0.000 0.471 467 D N 2.266 122.326 120.400 -0.567 0.000 2.308 467 D HA 0.308 4.948 4.640 -0.000 0.000 0.242 467 D C -1.488 174.329 176.300 -0.804 0.000 1.059 467 D CA -0.288 53.377 54.000 -0.558 0.000 0.830 467 D CB 1.071 41.645 40.800 -0.377 0.000 1.161 467 D HN 0.250 nan 8.370 nan 0.000 0.494 468 Y N 1.008 121.158 120.300 -0.250 0.000 2.446 468 Y HA 0.570 5.120 4.550 -0.000 0.000 0.345 468 Y C -0.029 175.554 175.900 -0.527 0.000 0.984 468 Y CA -1.034 56.826 58.100 -0.400 0.000 1.058 468 Y CB 1.421 39.746 38.460 -0.225 0.000 1.220 468 Y HN 0.169 nan 8.280 nan 0.000 0.455 469 I N 3.500 123.696 120.570 -0.622 0.000 2.465 469 I HA 0.409 4.579 4.170 -0.000 0.000 0.291 469 I C -1.425 174.274 176.117 -0.696 0.000 1.014 469 I CA -0.768 60.240 61.300 -0.488 0.000 1.093 469 I CB 1.534 39.283 38.000 -0.419 0.000 1.267 469 I HN 0.374 nan 8.210 nan 0.000 0.431 470 F N 3.037 123.083 119.950 0.160 0.000 2.467 470 F HA 0.409 4.936 4.527 -0.000 0.000 0.336 470 F C -0.208 175.763 175.800 0.285 0.000 1.123 470 F CA -0.798 57.351 58.000 0.248 0.000 0.964 470 F CB 1.348 40.647 39.000 0.498 0.000 1.136 470 F HN 0.318 nan 8.300 nan 0.000 0.447 471 D N 2.516 123.056 120.400 0.234 0.000 2.303 471 D HA 0.225 4.865 4.640 -0.000 0.000 0.236 471 D C -1.225 174.984 176.300 -0.152 0.000 1.068 471 D CA -0.208 53.864 54.000 0.120 0.000 0.830 471 D CB 1.034 41.845 40.800 0.019 0.000 1.109 471 D HN 0.323 nan 8.370 nan 0.000 0.496 472 W N 2.846 124.061 121.300 -0.141 0.000 2.314 472 W HA 0.480 5.140 4.660 -0.000 0.000 0.310 472 W C -0.004 176.228 176.519 -0.479 0.000 1.075 472 W CA -0.597 56.535 57.345 -0.356 0.000 1.253 472 W CB 0.546 29.808 29.460 -0.331 0.000 1.238 472 W HN 0.133 nan 8.180 nan 0.000 0.440 473 I N 4.618 124.901 120.570 -0.479 0.000 2.382 473 I HA 0.313 4.483 4.170 -0.000 0.000 0.285 473 I C -0.899 174.890 176.117 -0.547 0.000 1.007 473 I CA -0.888 60.162 61.300 -0.417 0.000 1.142 473 I CB 0.573 38.404 38.000 -0.283 0.000 1.289 473 I HN 0.090 nan 8.210 nan 0.000 0.453 474 F N 4.582 124.312 119.950 -0.366 0.000 2.405 474 F HA 0.408 4.935 4.527 -0.000 0.000 0.355 474 F C 0.767 176.599 175.800 0.053 0.000 1.121 474 F CA -0.369 57.402 58.000 -0.382 0.000 1.112 474 F CB 0.555 39.051 39.000 -0.840 0.000 1.126 474 F HN 0.381 nan 8.300 nan 0.000 0.481 475 H N 2.468 121.740 119.070 0.338 0.000 2.472 475 H HA 0.158 4.714 4.556 -0.000 0.000 0.335 475 H C 0.637 176.414 175.328 0.749 0.000 1.136 475 H CA -0.463 55.848 56.048 0.439 0.000 1.264 475 H CB 1.688 31.605 29.762 0.259 0.000 1.486 475 H HN 0.741 nan 8.280 nan 0.000 0.517 476 E N 1.271 121.855 120.200 0.640 0.000 2.118 476 E HA -0.185 4.165 4.350 -0.000 0.000 0.195 476 E C 1.309 178.140 176.600 0.385 0.000 0.992 476 E CA 1.039 57.695 56.400 0.427 0.000 0.804 476 E CB 0.031 29.811 29.700 0.132 0.000 0.741 476 E HN 0.651 nan 8.360 nan 0.000 0.458 477 N N -0.854 118.034 118.700 0.314 0.000 2.521 477 N HA -0.049 4.691 4.740 -0.000 0.000 0.188 477 N C 1.183 176.720 175.510 0.045 0.000 1.146 477 N CA 0.643 53.753 53.050 0.101 0.000 0.893 477 N CB 0.754 39.279 38.487 0.064 0.000 0.975 477 N HN 0.180 nan 8.380 nan 0.000 0.451 478 G N 0.010 109.034 108.800 0.374 0.000 2.232 478 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.226 478 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.226 478 G C 0.201 175.462 174.900 0.601 0.000 0.996 478 G CA 0.166 45.499 45.100 0.388 0.000 0.626 478 G HN 0.415 nan 8.290 nan 0.000 0.509 479 T N 1.590 116.337 114.554 0.322 0.000 2.930 479 T HA 0.518 4.868 4.350 -0.000 0.000 0.306 479 T C 0.479 175.252 174.700 0.122 0.000 1.045 479 T CA 0.556 62.699 62.100 0.071 0.000 1.134 479 T CB 1.352 69.944 68.868 -0.461 0.000 0.961 479 T HN 0.363 nan 8.240 nan 0.000 0.545 480 I N 1.686 122.245 120.570 -0.017 0.000 2.433 480 I HA 0.546 4.715 4.170 -0.000 0.000 0.292 480 I C 0.737 176.686 176.117 -0.279 0.000 1.001 480 I CA -0.772 60.368 61.300 -0.266 0.000 1.119 480 I CB 1.924 39.669 38.000 -0.425 0.000 1.289 480 I HN 0.701 nan 8.210 nan 0.000 0.438 481 G N 6.387 115.015 108.800 -0.287 0.000 2.432 481 G HA2 0.811 4.771 3.960 -0.000 0.000 0.331 481 G HA3 0.811 4.771 3.960 -0.000 0.000 0.331 481 G C -0.874 173.737 174.900 -0.483 0.000 1.170 481 G CA -0.497 44.434 45.100 -0.281 0.000 0.943 481 G HN 0.508 nan 8.290 nan 0.000 0.483 482 I N 1.705 121.944 120.570 -0.553 0.000 2.468 482 I HA 0.269 4.439 4.170 -0.000 0.000 0.284 482 I C -1.287 174.513 176.117 -0.530 0.000 1.038 482 I CA -0.833 59.952 61.300 -0.858 0.000 1.083 482 I CB 2.019 39.151 38.000 -1.448 0.000 1.223 482 I HN 0.207 nan 8.210 nan 0.000 0.443 483 D N 5.063 125.255 120.400 -0.346 0.000 2.228 483 D HA 0.731 5.371 4.640 -0.000 0.000 0.247 483 D C -0.442 175.830 176.300 -0.047 0.000 0.995 483 D CA -0.320 53.612 54.000 -0.114 0.000 0.903 483 D CB 2.410 43.196 40.800 -0.023 0.000 1.205 483 D HN 0.582 nan 8.370 nan 0.000 0.459 484 A N 0.734 123.485 122.820 -0.116 0.000 2.353 484 A HA 0.718 5.038 4.320 -0.000 0.000 0.299 484 A C 0.067 177.222 177.584 -0.714 0.000 1.089 484 A CA -0.635 51.039 52.037 -0.605 0.000 0.736 484 A CB 1.350 19.723 19.000 -1.044 0.000 1.195 484 A HN 0.485 nan 8.150 nan 0.000 0.447 485 G N 0.355 108.454 108.800 -1.168 0.000 2.454 485 G HA2 0.791 4.751 3.960 -0.000 0.000 0.329 485 G HA3 0.791 4.751 3.960 -0.000 0.000 0.329 485 G C -0.487 173.858 174.900 -0.926 0.000 1.177 485 G CA -0.092 44.054 45.100 -1.591 0.000 0.951 485 G HN 1.700 nan 8.290 nan 0.000 0.485 486 A N 0.143 122.490 122.820 -0.788 0.000 2.398 486 A HA 0.871 5.191 4.320 -0.000 0.000 0.301 486 A C -0.255 177.002 177.584 -0.544 0.000 1.041 486 A CA -0.159 51.521 52.037 -0.596 0.000 0.711 486 A CB 2.033 20.692 19.000 -0.568 0.000 1.240 486 A HN 1.247 nan 8.150 nan 0.000 0.420 487 T N 0.439 114.712 114.554 -0.468 0.000 2.618 487 T HA 0.836 5.186 4.350 -0.000 0.000 0.293 487 T C 0.542 175.096 174.700 -0.243 0.000 1.093 487 T CA 1.000 62.916 62.100 -0.306 0.000 1.061 487 T CB 0.759 69.446 68.868 -0.302 0.000 1.498 487 T HN 2.777 nan 8.240 nan 0.000 0.494 488 G N 0.718 109.353 108.800 -0.275 0.000 2.484 488 G HA2 -0.013 3.947 3.960 -0.000 0.000 0.225 488 G HA3 -0.013 3.947 3.960 -0.000 0.000 0.225 488 G C -1.260 173.388 174.900 -0.419 0.000 1.250 488 G CA -0.132 44.729 45.100 -0.397 0.000 0.926 488 G HN 0.943 nan 8.290 nan 0.000 0.581 489 I N 1.842 122.033 120.570 -0.632 0.000 2.382 489 I HA 0.405 4.575 4.170 -0.000 0.000 0.286 489 I C 0.583 176.248 176.117 -0.754 0.000 1.002 489 I CA -1.005 59.899 61.300 -0.660 0.000 1.135 489 I CB 0.796 38.273 38.000 -0.871 0.000 1.288 489 I HN 0.626 nan 8.210 nan 0.000 0.448 490 E N 3.435 123.468 120.200 -0.277 0.000 2.392 490 E HA 0.318 4.668 4.350 -0.000 0.000 0.264 490 E C 0.215 176.706 176.600 -0.182 0.000 1.024 490 E CA -0.315 55.930 56.400 -0.258 0.000 0.903 490 E CB 0.845 30.625 29.700 0.133 0.000 0.963 490 E HN 0.698 nan 8.360 nan 0.000 0.432 491 A N 3.048 125.732 122.820 -0.227 0.000 2.473 491 A HA 0.228 4.548 4.320 -0.000 0.000 0.282 491 A C 0.170 177.933 177.584 0.299 0.000 1.163 491 A CA -0.443 51.614 52.037 0.033 0.000 0.827 491 A CB -0.667 18.286 19.000 -0.079 0.000 1.098 491 A HN 0.389 nan 8.150 nan 0.000 0.515 492 V N 0.740 120.849 119.914 0.325 0.000 2.850 492 V HA 0.697 4.817 4.120 -0.000 0.000 0.315 492 V C -0.081 176.266 176.094 0.422 0.000 1.064 492 V CA -1.102 61.315 62.300 0.195 0.000 0.979 492 V CB 1.609 33.322 31.823 -0.184 0.000 1.039 492 V HN 0.800 nan 8.190 nan 0.000 0.452 493 K N 2.034 122.555 120.400 0.201 0.000 2.244 493 K HA 0.641 4.961 4.320 -0.000 0.000 0.260 493 K C 0.130 176.788 176.600 0.097 0.000 0.951 493 K CA -0.311 56.131 56.287 0.259 0.000 0.826 493 K CB 1.508 33.976 32.500 -0.052 0.000 1.108 493 K HN 1.181 nan 8.250 nan 0.000 0.433 494 G N 2.761 111.642 108.800 0.136 0.000 2.364 494 G HA2 0.413 4.373 3.960 -0.000 0.000 0.267 494 G HA3 0.413 4.373 3.960 -0.000 0.000 0.267 494 G C -0.411 174.524 174.900 0.059 0.000 1.233 494 G CA -0.355 44.796 45.100 0.086 0.000 0.885 494 G HN 0.495 nan 8.290 nan 0.000 0.490 495 V N 0.190 120.125 119.914 0.035 0.000 3.160 495 V HA 0.589 4.709 4.120 -0.000 0.000 0.310 495 V C 0.830 176.941 176.094 0.028 0.000 1.181 495 V CA -1.137 61.177 62.300 0.023 0.000 1.047 495 V CB 2.040 33.860 31.823 -0.004 0.000 1.068 495 V HN 0.642 nan 8.190 nan 0.000 0.441 496 K N 1.113 121.527 120.400 0.023 0.000 2.155 496 K HA 0.320 4.639 4.320 -0.000 0.000 0.203 496 K C 1.039 177.653 176.600 0.023 0.000 1.052 496 K CA 1.256 57.557 56.287 0.024 0.000 0.948 496 K CB -0.054 32.457 32.500 0.019 0.000 0.728 496 K HN 0.942 nan 8.250 nan 0.000 0.448 497 A N 1.624 124.453 122.820 0.016 0.000 2.425 497 A HA 0.080 4.400 4.320 -0.000 0.000 0.249 497 A C 0.580 178.189 177.584 0.042 0.000 1.084 497 A CA 0.001 52.048 52.037 0.017 0.000 0.781 497 A CB 0.544 19.543 19.000 -0.001 0.000 1.019 497 A HN 0.143 nan 8.150 nan 0.000 0.490 498 K N -0.116 120.314 120.400 0.050 0.000 2.214 498 K HA 0.083 4.403 4.320 -0.000 0.000 0.201 498 K C 0.772 177.488 176.600 0.194 0.000 1.049 498 K CA 1.419 57.768 56.287 0.104 0.000 0.978 498 K CB 0.243 32.715 32.500 -0.048 0.000 0.842 498 K HN 0.915 nan 8.250 nan 0.000 0.474 499 T N -2.792 111.814 114.554 0.086 0.000 2.831 499 T HA 0.279 4.629 4.350 -0.000 0.000 0.287 499 T C 0.603 175.266 174.700 -0.062 0.000 1.070 499 T CA -0.847 61.282 62.100 0.049 0.000 1.010 499 T CB 1.167 70.087 68.868 0.087 0.000 1.264 499 T HN -0.256 nan 8.240 nan 0.000 0.532 500 M N 0.744 120.216 119.600 -0.214 0.000 2.618 500 M HA 0.078 4.558 4.480 -0.000 0.000 0.240 500 M C 0.940 177.052 176.300 -0.313 0.000 1.123 500 M CA 0.626 55.768 55.300 -0.263 0.000 1.060 500 M CB -1.233 31.191 32.600 -0.294 0.000 1.535 500 M HN 0.614 nan 8.290 nan 0.000 0.507 501 H N -0.414 118.660 119.070 0.008 0.000 2.526 501 H HA 0.230 4.786 4.556 -0.000 0.000 0.274 501 H C -0.279 175.048 175.328 -0.001 0.000 0.999 501 H CA -0.027 56.023 56.048 0.002 0.000 1.157 501 H CB 0.079 29.844 29.762 0.004 0.000 1.407 501 H HN 0.234 nan 8.280 nan 0.000 0.568 502 D N 0.402 120.836 120.400 0.057 0.000 2.294 502 D HA 0.052 4.691 4.640 -0.000 0.000 0.250 502 D C 1.280 177.592 176.300 0.019 0.000 1.058 502 D CA -0.398 53.625 54.000 0.039 0.000 0.950 502 D CB 1.457 42.271 40.800 0.024 0.000 1.158 502 D HN -0.039 nan 8.370 nan 0.000 0.453 503 E N -0.006 120.204 120.200 0.016 0.000 2.021 503 E HA -0.171 4.179 4.350 -0.000 0.000 0.200 503 E C 1.884 178.483 176.600 -0.003 0.000 1.015 503 E CA 2.041 58.446 56.400 0.008 0.000 0.824 503 E CB -0.690 29.015 29.700 0.007 0.000 0.762 503 E HN 0.632 nan 8.360 nan 0.000 0.454 504 T N -0.923 113.629 114.554 -0.003 0.000 2.977 504 T HA -0.009 4.341 4.350 -0.000 0.000 0.271 504 T C 1.919 176.604 174.700 -0.025 0.000 1.105 504 T CA 0.917 63.011 62.100 -0.011 0.000 1.116 504 T CB -0.379 68.487 68.868 -0.004 0.000 0.878 504 T HN 0.216 nan 8.240 nan 0.000 0.509 505 A N 2.442 125.245 122.820 -0.027 0.000 1.915 505 A HA -0.259 4.061 4.320 -0.000 0.000 0.220 505 A C 2.371 179.917 177.584 -0.064 0.000 1.198 505 A CA 2.074 54.083 52.037 -0.047 0.000 0.647 505 A CB -0.660 18.307 19.000 -0.055 0.000 0.825 505 A HN 0.372 nan 8.150 nan 0.000 0.456 506 K N 0.014 120.378 120.400 -0.060 0.000 1.985 506 K HA -0.107 4.212 4.320 -0.000 0.000 0.210 506 K C 1.732 178.273 176.600 -0.098 0.000 1.047 506 K CA 1.613 57.853 56.287 -0.078 0.000 0.932 506 K CB -0.721 31.741 32.500 -0.064 0.000 0.716 506 K HN 0.516 nan 8.250 nan 0.000 0.439 507 D N 0.872 121.227 120.400 -0.075 0.000 2.149 507 D HA -0.143 4.497 4.640 -0.000 0.000 0.198 507 D C 1.284 177.534 176.300 -0.084 0.000 0.990 507 D CA 1.046 55.000 54.000 -0.078 0.000 0.839 507 D CB -0.146 40.633 40.800 -0.035 0.000 0.948 507 D HN 0.179 nan 8.370 nan 0.000 0.460 508 D N -0.509 119.853 120.400 -0.064 0.000 2.218 508 D HA -0.086 4.554 4.640 -0.000 0.000 0.204 508 D C 1.670 177.915 176.300 -0.091 0.000 0.976 508 D CA 1.139 55.105 54.000 -0.056 0.000 0.853 508 D CB -0.115 40.658 40.800 -0.045 0.000 0.939 508 D HN 0.321 nan 8.370 nan 0.000 0.481 509 T N -2.694 111.784 114.554 -0.125 0.000 3.174 509 T HA 0.208 4.558 4.350 -0.000 0.000 0.269 509 T C 1.428 175.996 174.700 -0.219 0.000 1.017 509 T CA -0.501 61.511 62.100 -0.147 0.000 0.899 509 T CB 0.604 69.397 68.868 -0.125 0.000 1.077 509 T HN -0.049 nan 8.240 nan 0.000 0.552 510 R N 0.407 120.702 120.500 -0.342 0.000 2.120 510 R HA -0.034 4.306 4.340 -0.000 0.000 0.234 510 R C 0.394 176.278 176.300 -0.693 0.000 1.123 510 R CA 1.348 57.084 56.100 -0.606 0.000 0.975 510 R CB -0.101 29.644 30.300 -0.925 0.000 0.866 510 R HN 0.574 nan 8.270 nan 0.000 0.446 511 Y N -1.371 118.850 120.300 -0.131 0.000 2.660 511 Y HA 0.497 5.047 4.550 -0.000 0.000 0.254 511 Y C 0.414 176.208 175.900 -0.178 0.000 1.176 511 Y CA -0.019 57.990 58.100 -0.152 0.000 1.195 511 Y CB 1.526 39.884 38.460 -0.171 0.000 1.190 511 Y HN 0.151 nan 8.280 nan 0.000 0.535 512 G N -0.905 107.845 108.800 -0.083 0.000 2.340 512 G HA2 0.283 4.243 3.960 -0.000 0.000 0.298 512 G HA3 0.283 4.243 3.960 -0.000 0.000 0.298 512 G C -1.198 173.629 174.900 -0.121 0.000 1.498 512 G CA -0.997 44.038 45.100 -0.108 0.000 0.847 512 G HN -0.192 nan 8.290 nan 0.000 0.594 513 T N 0.449 114.934 114.554 -0.116 0.000 2.913 513 T HA 0.392 4.741 4.350 -0.000 0.000 0.297 513 T C 0.302 174.926 174.700 -0.127 0.000 1.029 513 T CA -0.059 61.977 62.100 -0.107 0.000 1.104 513 T CB 1.270 70.090 68.868 -0.082 0.000 0.964 513 T HN 0.630 nan 8.240 nan 0.000 0.532 514 L N 5.378 126.532 121.223 -0.114 0.000 2.363 514 L HA 0.327 4.667 4.340 -0.000 0.000 0.286 514 L C 0.939 177.729 176.870 -0.133 0.000 1.106 514 L CA 0.178 54.943 54.840 -0.125 0.000 0.859 514 L CB -0.452 41.551 42.059 -0.093 0.000 1.223 514 L HN 0.709 nan 8.230 nan 0.000 0.446 515 I N -0.188 120.261 120.570 -0.202 0.000 3.854 515 I HA 0.388 4.558 4.170 -0.000 0.000 0.312 515 I C 0.048 176.029 176.117 -0.226 0.000 1.273 515 I CA 0.117 61.299 61.300 -0.196 0.000 1.298 515 I CB 0.277 38.147 38.000 -0.217 0.000 1.071 515 I HN 0.426 nan 8.210 nan 0.000 0.428 516 D N -0.017 120.204 120.400 -0.298 0.000 2.596 516 D HA 0.264 4.904 4.640 -0.000 0.000 0.262 516 D C -0.805 175.390 176.300 -0.174 0.000 1.210 516 D CA -0.491 53.366 54.000 -0.239 0.000 0.873 516 D CB 1.594 42.301 40.800 -0.155 0.000 1.408 516 D HN 0.016 nan 8.370 nan 0.000 0.441 517 H N 1.272 120.353 119.070 0.019 0.000 3.034 517 H HA 0.092 4.648 4.556 -0.000 0.000 0.324 517 H C 0.501 175.835 175.328 0.010 0.000 1.015 517 H CA 0.841 56.900 56.048 0.018 0.000 1.429 517 H CB -0.056 29.735 29.762 0.048 0.000 1.429 517 H HN 0.487 nan 8.280 nan 0.000 0.585 518 N N -0.017 118.749 118.700 0.109 0.000 2.815 518 N HA -0.171 4.569 4.740 -0.000 0.000 0.247 518 N C -0.780 174.732 175.510 0.003 0.000 1.030 518 N CA 0.838 53.923 53.050 0.059 0.000 0.881 518 N CB -0.604 37.938 38.487 0.092 0.000 1.134 518 N HN 0.450 nan 8.380 nan 0.000 0.582 519 I N 1.047 121.571 120.570 -0.076 0.000 2.411 519 I HA 0.330 4.500 4.170 -0.000 0.000 0.284 519 I C -0.050 175.911 176.117 -0.261 0.000 1.012 519 I CA -0.635 60.542 61.300 -0.205 0.000 1.119 519 I CB 1.511 39.271 38.000 -0.400 0.000 1.261 519 I HN -0.227 nan 8.210 nan 0.000 0.448 520 V N 5.129 124.917 119.914 -0.209 0.000 2.370 520 V HA 0.425 4.545 4.120 -0.000 0.000 0.279 520 V C 0.886 176.831 176.094 -0.248 0.000 1.029 520 V CA -0.481 61.691 62.300 -0.214 0.000 0.870 520 V CB 1.786 33.508 31.823 -0.169 0.000 0.984 520 V HN 0.903 nan 8.190 nan 0.000 0.451 521 G N 3.511 112.164 108.800 -0.246 0.000 2.741 521 G HA2 0.252 4.212 3.960 -0.000 0.000 0.301 521 G HA3 0.252 4.212 3.960 -0.000 0.000 0.301 521 G C 0.389 175.212 174.900 -0.129 0.000 0.834 521 G CA -0.160 44.828 45.100 -0.187 0.000 1.683 521 G HN 0.662 nan 8.290 nan 0.000 0.506 522 T N 2.135 116.579 114.554 -0.183 0.000 2.933 522 T HA 0.083 4.433 4.350 -0.000 0.000 0.306 522 T C 1.146 175.918 174.700 0.120 0.000 1.045 522 T CA 0.408 62.399 62.100 -0.181 0.000 1.143 522 T CB 0.548 69.076 68.868 -0.566 0.000 1.003 522 T HN 0.398 nan 8.240 nan 0.000 0.540 523 T N 4.930 119.508 114.554 0.041 0.000 2.918 523 T HA 0.337 4.687 4.350 -0.000 0.000 0.302 523 T C 0.228 174.956 174.700 0.046 0.000 1.045 523 T CA -0.325 61.773 62.100 -0.004 0.000 1.114 523 T CB 0.128 68.947 68.868 -0.082 0.000 0.965 523 T HN 0.879 nan 8.240 nan 0.000 0.540 524 H N -0.481 118.416 119.070 -0.287 0.000 2.863 524 H HA 0.401 4.957 4.556 -0.000 0.000 0.274 524 H C -1.458 173.678 175.328 -0.321 0.000 1.457 524 H CA -1.074 54.707 56.048 -0.446 0.000 1.151 524 H CB 0.747 29.827 29.762 -1.137 0.000 1.844 524 H HN 0.542 nan 8.280 nan 0.000 0.562 525 Q N 0.120 119.747 119.800 -0.288 0.000 2.359 525 Q HA 0.393 4.733 4.340 -0.000 0.000 0.275 525 Q C -0.827 174.964 176.000 -0.347 0.000 1.082 525 Q CA -1.013 54.635 55.803 -0.259 0.000 0.849 525 Q CB 2.468 31.149 28.738 -0.095 0.000 1.377 525 Q HN 0.478 nan 8.270 nan 0.000 0.452 526 H N 1.104 120.080 119.070 -0.157 0.000 2.638 526 H HA 0.426 4.982 4.556 -0.000 0.000 0.317 526 H C -0.925 174.125 175.328 -0.464 0.000 1.006 526 H CA -0.316 55.544 56.048 -0.314 0.000 1.222 526 H CB 0.667 30.262 29.762 -0.279 0.000 1.419 526 H HN 0.417 nan 8.280 nan 0.000 0.489 527 I N 4.652 124.993 120.570 -0.380 0.000 2.382 527 I HA 0.170 4.340 4.170 -0.000 0.000 0.286 527 I C -0.824 175.145 176.117 -0.246 0.000 1.002 527 I CA -0.543 60.621 61.300 -0.226 0.000 1.135 527 I CB 0.767 38.745 38.000 -0.037 0.000 1.288 527 I HN 0.357 nan 8.210 nan 0.000 0.448 528 Y N 4.300 124.641 120.300 0.069 0.000 2.360 528 Y HA 0.484 5.034 4.550 -0.000 0.000 0.337 528 Y C 0.099 175.875 175.900 -0.207 0.000 1.039 528 Y CA -0.916 57.124 58.100 -0.101 0.000 1.109 528 Y CB 1.381 39.750 38.460 -0.153 0.000 1.201 528 Y HN 0.497 nan 8.280 nan 0.000 0.458 529 N N 1.758 120.328 118.700 -0.215 0.000 2.346 529 N HA 0.541 5.281 4.740 -0.000 0.000 0.289 529 N C -2.105 173.182 175.510 -0.371 0.000 1.027 529 N CA -0.472 52.459 53.050 -0.198 0.000 0.864 529 N CB 0.846 39.234 38.487 -0.165 0.000 1.370 529 N HN 0.351 nan 8.380 nan 0.000 0.481 530 F N 1.772 121.828 119.950 0.178 0.000 2.411 530 F HA 0.422 4.949 4.527 -0.000 0.000 0.352 530 F C 0.728 176.563 175.800 0.058 0.000 1.123 530 F CA -0.826 57.242 58.000 0.113 0.000 1.044 530 F CB 1.296 40.322 39.000 0.044 0.000 1.135 530 F HN 0.312 nan 8.300 nan 0.000 0.461 531 R N 4.950 125.507 120.500 0.096 0.000 2.202 531 R HA 0.560 4.900 4.340 -0.000 0.000 0.334 531 R C -1.582 174.551 176.300 -0.279 0.000 1.036 531 R CA -0.279 55.580 56.100 -0.402 0.000 0.878 531 R CB 0.266 30.181 30.300 -0.641 0.000 1.067 531 R HN 0.811 nan 8.270 nan 0.000 0.457 532 L N 4.780 125.804 121.223 -0.332 0.000 2.417 532 L HA 0.224 4.564 4.340 -0.000 0.000 0.259 532 L C -0.548 176.211 176.870 -0.185 0.000 1.023 532 L CA -0.793 53.952 54.840 -0.158 0.000 0.901 532 L CB 1.530 43.555 42.059 -0.057 0.000 1.227 532 L HN 0.570 nan 8.230 nan 0.000 0.454 533 D N 3.978 124.282 120.400 -0.159 0.000 2.545 533 D HA 0.148 4.788 4.640 -0.000 0.000 0.227 533 D C 0.085 176.395 176.300 0.017 0.000 1.150 533 D CA 0.040 54.000 54.000 -0.066 0.000 1.046 533 D CB 0.211 41.012 40.800 0.002 0.000 1.098 533 D HN 0.308 nan 8.370 nan 0.000 0.502 534 L N 2.397 123.620 121.223 0.001 0.000 2.455 534 L HA 0.161 4.501 4.340 -0.000 0.000 0.272 534 L C 0.153 177.073 176.870 0.083 0.000 1.174 534 L CA 0.153 55.009 54.840 0.027 0.000 0.869 534 L CB 0.581 42.629 42.059 -0.018 0.000 1.130 534 L HN 0.169 nan 8.230 nan 0.000 0.474 535 D N 2.869 123.355 120.400 0.143 0.000 2.432 535 D HA 0.174 4.814 4.640 -0.000 0.000 0.265 535 D C -0.369 176.002 176.300 0.118 0.000 1.160 535 D CA -0.228 53.856 54.000 0.139 0.000 0.911 535 D CB 1.589 42.525 40.800 0.227 0.000 1.052 535 D HN 0.040 nan 8.370 nan 0.000 0.508 536 V N 2.702 122.695 119.914 0.131 0.000 2.377 536 V HA -0.017 4.103 4.120 -0.000 0.000 0.254 536 V C 1.015 177.257 176.094 0.247 0.000 1.060 536 V CA 0.207 62.658 62.300 0.252 0.000 1.068 536 V CB 0.205 32.211 31.823 0.305 0.000 1.113 536 V HN 0.564 nan 8.190 nan 0.000 0.484 537 D N 3.465 124.035 120.400 0.284 0.000 3.039 537 D HA -0.149 4.491 4.640 -0.000 0.000 0.222 537 D C 0.341 176.615 176.300 -0.043 0.000 1.179 537 D CA 1.840 55.903 54.000 0.105 0.000 0.880 537 D CB -0.944 39.807 40.800 -0.082 0.000 1.115 537 D HN 1.093 nan 8.370 nan 0.000 0.416 538 G N -1.916 106.851 108.800 -0.055 0.000 2.320 538 G HA2 0.271 4.231 3.960 -0.000 0.000 0.297 538 G HA3 0.271 4.231 3.960 -0.000 0.000 0.297 538 G C 0.105 174.958 174.900 -0.079 0.000 1.344 538 G CA 0.186 45.210 45.100 -0.126 0.000 0.851 538 G HN -0.018 nan 8.290 nan 0.000 0.567 539 E N 0.035 120.180 120.200 -0.091 0.000 2.031 539 E HA -0.014 4.336 4.350 -0.000 0.000 0.193 539 E C 0.959 177.554 176.600 -0.009 0.000 0.994 539 E CA 1.021 57.396 56.400 -0.043 0.000 0.800 539 E CB 0.002 29.674 29.700 -0.048 0.000 0.752 539 E HN 0.369 nan 8.360 nan 0.000 0.447 540 N N 1.841 120.536 118.700 -0.010 0.000 2.408 540 N HA 0.143 4.883 4.740 -0.000 0.000 0.257 540 N C -0.704 174.818 175.510 0.020 0.000 1.064 540 N CA -0.024 53.032 53.050 0.008 0.000 0.952 540 N CB 0.695 39.184 38.487 0.004 0.000 1.093 540 N HN 0.069 nan 8.380 nan 0.000 0.490 541 N N -0.004 118.717 118.700 0.035 0.000 2.629 541 N HA 0.484 5.224 4.740 -0.000 0.000 0.279 541 N C -0.787 174.751 175.510 0.046 0.000 1.344 541 N CA -0.452 52.625 53.050 0.045 0.000 0.789 541 N CB 1.447 39.971 38.487 0.062 0.000 1.508 541 N HN 0.210 nan 8.380 nan 0.000 0.516 542 S N 0.088 115.815 115.700 0.046 0.000 2.595 542 S HA 0.540 5.010 4.470 -0.000 0.000 0.281 542 S C -1.282 173.340 174.600 0.037 0.000 1.117 542 S CA -0.559 57.666 58.200 0.041 0.000 0.873 542 S CB 2.013 65.232 63.200 0.032 0.000 1.108 542 S HN 0.422 nan 8.310 nan 0.000 0.477 543 L N 2.702 123.945 121.223 0.034 0.000 2.287 543 L HA 0.745 5.085 4.340 -0.000 0.000 0.287 543 L C -1.439 175.414 176.870 -0.028 0.000 1.022 543 L CA -0.245 54.605 54.840 0.017 0.000 0.814 543 L CB 1.038 43.123 42.059 0.043 0.000 1.217 543 L HN 0.457 nan 8.230 nan 0.000 0.420 544 V N 5.154 125.020 119.914 -0.079 0.000 2.483 544 V HA 0.786 4.906 4.120 -0.000 0.000 0.297 544 V C 0.155 176.093 176.094 -0.260 0.000 1.027 544 V CA -0.530 61.676 62.300 -0.156 0.000 0.855 544 V CB 1.404 33.151 31.823 -0.126 0.000 0.995 544 V HN 0.946 nan 8.190 nan 0.000 0.424 545 A N 6.219 128.760 122.820 -0.465 0.000 2.304 545 A HA 0.921 5.241 4.320 -0.000 0.000 0.301 545 A C -0.326 176.954 177.584 -0.507 0.000 1.132 545 A CA -0.480 51.229 52.037 -0.546 0.000 0.819 545 A CB 0.804 19.319 19.000 -0.809 0.000 1.094 545 A HN 0.822 nan 8.150 nan 0.000 0.492 546 M N 2.698 122.102 119.600 -0.327 0.000 2.060 546 M HA 0.213 4.693 4.480 -0.000 0.000 0.275 546 M C -1.693 174.529 176.300 -0.130 0.000 0.919 546 M CA -0.510 54.659 55.300 -0.217 0.000 0.970 546 M CB 1.646 34.099 32.600 -0.245 0.000 1.670 546 M HN 0.575 nan 8.290 nan 0.000 0.440 547 D N 5.016 125.387 120.400 -0.049 0.000 2.359 547 D HA 0.383 5.023 4.640 -0.000 0.000 0.230 547 D C -2.432 173.875 176.300 0.012 0.000 1.118 547 D CA -1.333 52.666 54.000 -0.002 0.000 0.844 547 D CB 1.171 42.013 40.800 0.071 0.000 1.059 547 D HN 0.135 nan 8.370 nan 0.000 0.493 548 P HA 0.113 nan 4.420 nan 0.000 0.271 548 P C -0.550 176.760 177.300 0.017 0.000 1.216 548 P CA -0.388 62.722 63.100 0.017 0.000 0.776 548 P CB 0.942 32.653 31.700 0.019 0.000 0.881 549 V N 0.414 120.342 119.914 0.022 0.000 3.087 549 V HA 0.504 4.624 4.120 -0.000 0.000 0.306 549 V C -0.562 175.542 176.094 0.017 0.000 1.187 549 V CA -1.128 61.184 62.300 0.019 0.000 0.999 549 V CB 1.906 33.743 31.823 0.023 0.000 1.049 549 V HN 0.124 nan 8.190 nan 0.000 0.431 550 V N 2.528 122.450 119.914 0.013 0.000 2.498 550 V HA 0.492 4.612 4.120 -0.000 0.000 0.279 550 V C 0.265 176.366 176.094 0.011 0.000 1.048 550 V CA -0.226 62.081 62.300 0.012 0.000 0.967 550 V CB 0.885 32.713 31.823 0.009 0.000 0.988 550 V HN 0.948 nan 8.190 nan 0.000 0.473 551 K N 4.961 125.368 120.400 0.012 0.000 2.375 551 K HA 0.506 4.826 4.320 -0.000 0.000 0.249 551 K C -2.820 173.785 176.600 0.008 0.000 0.942 551 K CA -2.017 54.277 56.287 0.010 0.000 0.806 551 K CB 2.352 34.859 32.500 0.013 0.000 1.227 551 K HN 0.322 nan 8.250 nan 0.000 0.430 552 P HA -0.094 nan 4.420 nan 0.000 0.265 552 P C -0.789 176.515 177.300 0.006 0.000 1.193 552 P CA 0.085 63.189 63.100 0.006 0.000 0.765 552 P CB 0.315 32.017 31.700 0.004 0.000 0.823 553 N N 1.754 120.458 118.700 0.006 0.000 2.497 553 N HA 0.056 4.796 4.740 -0.000 0.000 0.268 553 N C 0.535 176.049 175.510 0.005 0.000 1.171 553 N CA 0.062 53.116 53.050 0.006 0.000 0.948 553 N CB 0.440 38.930 38.487 0.005 0.000 1.069 553 N HN 0.411 nan 8.380 nan 0.000 0.460 554 T N -0.351 114.206 114.554 0.006 0.000 3.058 554 T HA 0.257 4.607 4.350 -0.000 0.000 0.278 554 T C 1.066 175.768 174.700 0.005 0.000 0.974 554 T CA 0.018 62.121 62.100 0.005 0.000 0.893 554 T CB 0.288 69.159 68.868 0.005 0.000 1.138 554 T HN 0.432 nan 8.240 nan 0.000 0.529 555 A N 1.010 123.833 122.820 0.005 0.000 2.251 555 A HA 0.718 5.038 4.320 -0.000 0.000 0.209 555 A C 1.530 179.116 177.584 0.003 0.000 1.187 555 A CA 0.479 52.519 52.037 0.004 0.000 0.823 555 A CB -0.841 18.162 19.000 0.005 0.000 0.846 555 A HN 1.490 nan 8.150 nan 0.000 0.486 556 G N -2.138 106.664 108.800 0.003 0.000 2.582 556 G HA2 0.428 4.388 3.960 -0.000 0.000 0.222 556 G HA3 0.428 4.388 3.960 -0.000 0.000 0.222 556 G C 0.858 175.760 174.900 0.003 0.000 1.311 556 G CA -0.077 45.024 45.100 0.003 0.000 0.915 556 G HN 2.399 nan 8.290 nan 0.000 0.528 557 G N -1.439 107.362 108.800 0.002 0.000 2.804 557 G HA2 0.192 4.152 3.960 -0.000 0.000 0.230 557 G HA3 0.192 4.152 3.960 -0.000 0.000 0.230 557 G C -0.807 174.094 174.900 0.002 0.000 1.386 557 G CA 0.740 45.842 45.100 0.002 0.000 0.875 557 G HN 1.400 nan 8.290 nan 0.000 0.557 558 P HA 0.142 nan 4.420 nan 0.000 0.240 558 P C 0.857 178.158 177.300 0.003 0.000 1.190 558 P CA 0.227 63.329 63.100 0.003 0.000 0.781 558 P CB 0.211 31.913 31.700 0.002 0.000 0.931 559 R N 0.622 121.124 120.500 0.003 0.000 2.449 559 R HA 0.062 4.402 4.340 -0.000 0.000 0.296 559 R C 1.466 177.768 176.300 0.004 0.000 1.047 559 R CA 0.637 56.740 56.100 0.004 0.000 1.018 559 R CB -0.070 30.232 30.300 0.005 0.000 0.962 559 R HN 0.189 nan 8.270 nan 0.000 0.428 560 T N -1.698 112.859 114.554 0.004 0.000 3.043 560 T HA -0.023 4.327 4.350 -0.000 0.000 0.263 560 T C 0.858 175.561 174.700 0.005 0.000 1.094 560 T CA 0.616 62.719 62.100 0.004 0.000 1.127 560 T CB 0.141 69.011 68.868 0.004 0.000 0.905 560 T HN 0.513 nan 8.240 nan 0.000 0.490 561 S N 0.534 116.238 115.700 0.005 0.000 2.627 561 S HA 0.700 5.169 4.470 -0.000 0.000 0.283 561 S C -0.552 174.052 174.600 0.008 0.000 1.127 561 S CA -0.414 57.790 58.200 0.007 0.000 0.863 561 S CB 2.058 65.262 63.200 0.006 0.000 1.121 561 S HN 0.685 nan 8.310 nan 0.000 0.479 562 T N -1.189 113.371 114.554 0.009 0.000 2.901 562 T HA 0.664 5.014 4.350 -0.000 0.000 0.293 562 T C -0.658 174.051 174.700 0.014 0.000 1.084 562 T CA -0.961 61.146 62.100 0.011 0.000 1.008 562 T CB 1.268 70.143 68.868 0.012 0.000 1.170 562 T HN 0.675 nan 8.240 nan 0.000 0.509 563 M N 2.465 122.075 119.600 0.016 0.000 2.063 563 M HA 0.382 4.862 4.480 -0.000 0.000 0.348 563 M C -0.064 176.251 176.300 0.025 0.000 1.180 563 M CA -0.382 54.931 55.300 0.020 0.000 1.059 563 M CB 1.028 33.641 32.600 0.022 0.000 1.544 563 M HN 0.606 nan 8.290 nan 0.000 0.447 564 Q N 1.568 121.384 119.800 0.027 0.000 2.552 564 Q HA 0.773 5.112 4.340 -0.000 0.000 0.289 564 Q C -1.273 174.749 176.000 0.036 0.000 1.097 564 Q CA -1.073 54.748 55.803 0.031 0.000 0.812 564 Q CB 3.357 32.111 28.738 0.027 0.000 1.460 564 Q HN 0.442 nan 8.270 nan 0.000 0.452 565 V N 1.775 121.714 119.914 0.041 0.000 2.483 565 V HA 0.256 4.376 4.120 -0.000 0.000 0.297 565 V C -0.688 175.436 176.094 0.050 0.000 1.027 565 V CA -0.878 61.447 62.300 0.042 0.000 0.855 565 V CB 1.746 33.596 31.823 0.045 0.000 0.995 565 V HN 0.635 nan 8.190 nan 0.000 0.424 566 N N 4.470 123.209 118.700 0.066 0.000 2.415 566 N HA 0.205 4.945 4.740 -0.000 0.000 0.246 566 N C -0.456 175.135 175.510 0.136 0.000 1.078 566 N CA 0.079 53.201 53.050 0.119 0.000 0.942 566 N CB 1.459 40.039 38.487 0.155 0.000 1.140 566 N HN 0.754 nan 8.380 nan 0.000 0.501 567 Q N 3.466 123.339 119.800 0.122 0.000 2.312 567 Q HA 0.396 4.736 4.340 -0.000 0.000 0.263 567 Q C -1.638 174.455 176.000 0.155 0.000 0.995 567 Q CA -0.755 55.065 55.803 0.028 0.000 0.853 567 Q CB 1.049 29.784 28.738 -0.006 0.000 1.300 567 Q HN 0.573 nan 8.270 nan 0.000 0.448 568 Y N 0.044 120.338 120.300 -0.011 0.000 2.565 568 Y HA 0.448 4.998 4.550 -0.000 0.000 0.330 568 Y C -1.455 174.444 175.900 -0.002 0.000 1.150 568 Y CA -1.509 56.589 58.100 -0.004 0.000 1.055 568 Y CB 0.403 38.862 38.460 -0.002 0.000 1.337 568 Y HN 0.528 nan 8.280 nan 0.000 0.457 569 N N 1.792 120.566 118.700 0.124 0.000 2.482 569 N HA 0.403 5.143 4.740 -0.000 0.000 0.260 569 N C -1.001 174.599 175.510 0.151 0.000 1.236 569 N CA -0.100 52.992 53.050 0.071 0.000 0.938 569 N CB 0.710 39.235 38.487 0.063 0.000 1.128 569 N HN 0.707 nan 8.380 nan 0.000 0.448 570 I N 0.559 121.181 120.570 0.087 0.000 2.359 570 I HA 0.274 4.443 4.170 -0.000 0.000 0.284 570 I C 1.263 177.432 176.117 0.086 0.000 1.018 570 I CA -0.375 60.993 61.300 0.113 0.000 1.173 570 I CB 1.511 39.562 38.000 0.085 0.000 1.326 570 I HN 0.679 nan 8.210 nan 0.000 0.462 571 G N 5.827 114.679 108.800 0.087 0.000 2.744 571 G HA2 0.025 3.985 3.960 -0.000 0.000 0.211 571 G HA3 0.025 3.985 3.960 -0.000 0.000 0.211 571 G C 0.343 175.286 174.900 0.072 0.000 1.146 571 G CA -0.075 45.068 45.100 0.073 0.000 0.787 571 G HN 0.698 nan 8.290 nan 0.000 0.534 572 N N -1.239 117.506 118.700 0.076 0.000 2.455 572 N HA 0.194 4.934 4.740 -0.000 0.000 0.278 572 N C -0.017 175.549 175.510 0.093 0.000 1.291 572 N CA -0.610 52.489 53.050 0.082 0.000 0.780 572 N CB 1.340 39.870 38.487 0.073 0.000 1.520 572 N HN -0.081 nan 8.380 nan 0.000 0.486 573 E N -0.386 119.882 120.200 0.114 0.000 2.267 573 E HA -0.189 4.161 4.350 -0.000 0.000 0.197 573 E C 1.136 177.805 176.600 0.116 0.000 0.998 573 E CA 1.185 57.673 56.400 0.146 0.000 0.830 573 E CB 0.107 29.915 29.700 0.179 0.000 0.751 573 E HN 0.483 nan 8.360 nan 0.000 0.491 574 Q N 0.355 120.204 119.800 0.082 0.000 2.165 574 Q HA -0.087 4.252 4.340 -0.000 0.000 0.197 574 Q C 1.443 177.447 176.000 0.007 0.000 0.952 574 Q CA 0.907 56.739 55.803 0.049 0.000 0.848 574 Q CB 0.237 29.007 28.738 0.054 0.000 0.931 574 Q HN 0.259 nan 8.270 nan 0.000 0.470 575 D N 0.437 120.852 120.400 0.025 0.000 2.224 575 D HA -0.051 4.588 4.640 -0.000 0.000 0.205 575 D C 1.495 177.800 176.300 0.008 0.000 0.965 575 D CA 1.002 55.014 54.000 0.020 0.000 0.852 575 D CB 0.007 40.838 40.800 0.052 0.000 0.947 575 D HN 0.200 nan 8.370 nan 0.000 0.494 576 A N 0.630 123.464 122.820 0.024 0.000 2.119 576 A HA 0.202 4.522 4.320 -0.000 0.000 0.217 576 A C 1.440 178.982 177.584 -0.070 0.000 1.153 576 A CA 0.768 52.823 52.037 0.030 0.000 0.692 576 A CB -0.208 18.852 19.000 0.099 0.000 0.799 576 A HN 0.166 nan 8.150 nan 0.000 0.458 577 A N 0.978 123.676 122.820 -0.204 0.000 2.539 577 A HA 0.521 4.841 4.320 -0.000 0.000 0.306 577 A C 0.078 177.351 177.584 -0.518 0.000 1.392 577 A CA -0.275 51.368 52.037 -0.655 0.000 1.060 577 A CB -0.541 17.950 19.000 -0.848 0.000 1.134 577 A HN 0.671 nan 8.150 nan 0.000 0.542 578 Q N 1.565 121.109 119.800 -0.427 0.000 2.482 578 Q HA 0.494 4.834 4.340 -0.000 0.000 0.286 578 Q C -1.224 174.717 176.000 -0.097 0.000 1.007 578 Q CA -1.178 54.508 55.803 -0.195 0.000 0.801 578 Q CB 1.210 29.905 28.738 -0.070 0.000 1.455 578 Q HN 0.442 nan 8.270 nan 0.000 0.398 579 K N 0.783 121.165 120.400 -0.029 0.000 2.436 579 K HA 0.171 4.490 4.320 -0.000 0.000 0.275 579 K C -0.968 175.709 176.600 0.128 0.000 0.999 579 K CA 0.014 56.329 56.287 0.047 0.000 0.980 579 K CB 0.379 32.893 32.500 0.024 0.000 0.919 579 K HN 0.472 nan 8.250 nan 0.000 0.484 580 F N 2.654 122.620 119.950 0.026 0.000 2.415 580 F HA 0.134 4.661 4.527 -0.000 0.000 0.348 580 F C -0.284 175.553 175.800 0.061 0.000 1.119 580 F CA -1.078 56.954 58.000 0.053 0.000 1.069 580 F CB 0.969 40.027 39.000 0.096 0.000 1.124 580 F HN 0.403 nan 8.300 nan 0.000 0.472 581 D N 8.543 128.580 120.400 -0.605 0.000 2.373 581 D HA 0.340 4.980 4.640 -0.000 0.000 0.227 581 D C -2.008 173.713 176.300 -0.965 0.000 1.091 581 D CA -2.684 50.997 54.000 -0.532 0.000 0.840 581 D CB 1.903 42.530 40.800 -0.289 0.000 1.060 581 D HN 0.246 nan 8.370 nan 0.000 0.502 582 P HA 0.049 nan 4.420 nan 0.000 0.231 582 P C 1.106 178.293 177.300 -0.189 0.000 1.158 582 P CA 0.440 63.346 63.100 -0.323 0.000 0.763 582 P CB 0.260 32.057 31.700 0.162 0.000 0.805 583 G N -0.741 107.939 108.800 -0.201 0.000 2.985 583 G HA2 0.021 3.981 3.960 -0.000 0.000 0.209 583 G HA3 0.021 3.981 3.960 -0.000 0.000 0.209 583 G C 0.540 175.373 174.900 -0.111 0.000 1.165 583 G CA 0.426 45.464 45.100 -0.103 0.000 0.776 583 G HN 0.407 nan 8.290 nan 0.000 0.541 584 T N -1.844 112.586 114.554 -0.206 0.000 2.949 584 T HA 0.728 5.078 4.350 -0.000 0.000 0.287 584 T C -0.519 174.129 174.700 -0.087 0.000 1.034 584 T CA -0.853 61.160 62.100 -0.146 0.000 1.018 584 T CB 2.325 71.096 68.868 -0.160 0.000 1.135 584 T HN -0.095 nan 8.240 nan 0.000 0.532 585 I N 1.152 121.666 120.570 -0.093 0.000 2.433 585 I HA 0.518 4.688 4.170 -0.000 0.000 0.292 585 I C 0.029 176.071 176.117 -0.125 0.000 1.001 585 I CA -0.984 60.240 61.300 -0.127 0.000 1.119 585 I CB 1.735 39.516 38.000 -0.365 0.000 1.289 585 I HN 0.432 nan 8.210 nan 0.000 0.438 586 R N 7.044 127.526 120.500 -0.030 0.000 2.534 586 R HA 0.708 5.048 4.340 -0.000 0.000 0.301 586 R C -1.386 174.856 176.300 -0.097 0.000 0.961 586 R CA -0.787 55.287 56.100 -0.044 0.000 0.871 586 R CB 2.110 32.468 30.300 0.096 0.000 1.170 586 R HN 0.539 nan 8.270 nan 0.000 0.446 587 L N 2.984 124.128 121.223 -0.131 0.000 2.381 587 L HA 0.520 4.860 4.340 -0.000 0.000 0.268 587 L C -0.640 176.221 176.870 -0.016 0.000 0.997 587 L CA -1.298 53.483 54.840 -0.098 0.000 0.818 587 L CB 1.999 43.941 42.059 -0.195 0.000 1.310 587 L HN 0.225 nan 8.230 nan 0.000 0.416 588 L N 1.891 123.145 121.223 0.052 0.000 2.262 588 L HA 0.455 4.794 4.340 -0.000 0.000 0.288 588 L C -0.163 176.768 176.870 0.102 0.000 1.035 588 L CA 0.483 55.368 54.840 0.076 0.000 0.820 588 L CB 1.127 43.244 42.059 0.098 0.000 1.204 588 L HN 0.558 nan 8.230 nan 0.000 0.424 589 S N 3.524 119.265 115.700 0.069 0.000 2.651 589 S HA 0.471 4.941 4.470 -0.000 0.000 0.291 589 S C -0.408 174.235 174.600 0.072 0.000 1.141 589 S CA -0.718 57.528 58.200 0.076 0.000 1.027 589 S CB 1.261 64.483 63.200 0.037 0.000 1.043 589 S HN 0.632 nan 8.310 nan 0.000 0.530 590 N N 2.015 120.754 118.700 0.065 0.000 2.501 590 N HA 0.325 5.065 4.740 -0.000 0.000 0.245 590 N C -2.387 173.128 175.510 0.008 0.000 0.974 590 N CA -2.115 50.955 53.050 0.033 0.000 0.941 590 N CB 1.386 39.884 38.487 0.019 0.000 1.122 590 N HN 0.153 nan 8.380 nan 0.000 0.507 591 P HA 0.106 nan 4.420 nan 0.000 0.242 591 P C 0.118 177.414 177.300 -0.007 0.000 1.197 591 P CA 0.583 63.685 63.100 0.004 0.000 0.765 591 P CB 0.302 32.009 31.700 0.011 0.000 0.936 592 N N -0.272 118.418 118.700 -0.017 0.000 2.220 592 N HA 0.086 4.826 4.740 -0.000 0.000 0.195 592 N C 0.247 175.730 175.510 -0.045 0.000 1.123 592 N CA 0.271 53.305 53.050 -0.027 0.000 0.874 592 N CB 0.752 39.222 38.487 -0.028 0.000 0.995 592 N HN 0.282 nan 8.380 nan 0.000 0.498 593 K N 1.234 121.599 120.400 -0.058 0.000 2.464 593 K HA 0.349 4.669 4.320 -0.000 0.000 0.253 593 K C -0.700 175.840 176.600 -0.099 0.000 0.933 593 K CA -0.638 55.594 56.287 -0.091 0.000 0.801 593 K CB 2.651 35.071 32.500 -0.132 0.000 1.271 593 K HN 0.066 nan 8.250 nan 0.000 0.430 594 E N 0.872 121.009 120.200 -0.105 0.000 2.383 594 E HA 0.186 4.536 4.350 -0.000 0.000 0.275 594 E C -1.133 175.399 176.600 -0.113 0.000 0.918 594 E CA -1.032 55.313 56.400 -0.092 0.000 0.764 594 E CB 1.514 31.184 29.700 -0.050 0.000 1.252 594 E HN 0.696 nan 8.360 nan 0.000 0.449 595 N N 0.871 119.507 118.700 -0.106 0.000 2.317 595 N HA 0.083 4.823 4.740 -0.000 0.000 0.245 595 N C 0.616 176.088 175.510 -0.063 0.000 1.294 595 N CA -0.743 52.248 53.050 -0.097 0.000 0.924 595 N CB 0.930 39.367 38.487 -0.084 0.000 1.186 595 N HN 0.445 nan 8.380 nan 0.000 0.495 596 R N -1.070 119.399 120.500 -0.051 0.000 2.294 596 R HA -0.146 4.194 4.340 -0.000 0.000 0.250 596 R C 0.857 177.138 176.300 -0.033 0.000 1.181 596 R CA 1.702 57.779 56.100 -0.038 0.000 1.016 596 R CB -0.243 30.038 30.300 -0.032 0.000 0.869 596 R HN 0.616 nan 8.270 nan 0.000 0.476 597 M N -1.672 117.908 119.600 -0.033 0.000 2.371 597 M HA 0.234 4.714 4.480 -0.000 0.000 0.246 597 M C 0.935 177.224 176.300 -0.018 0.000 1.103 597 M CA 0.405 55.689 55.300 -0.026 0.000 1.010 597 M CB 1.337 33.920 32.600 -0.028 0.000 1.457 597 M HN 0.264 nan 8.290 nan 0.000 0.486 598 G N 0.585 109.372 108.800 -0.022 0.000 2.159 598 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.256 598 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.256 598 G C 0.032 174.929 174.900 -0.005 0.000 0.977 598 G CA 0.082 45.172 45.100 -0.015 0.000 0.652 598 G HN 0.514 nan 8.290 nan 0.000 0.531 599 N N 2.046 120.746 118.700 -0.001 0.000 2.479 599 N HA 0.510 5.250 4.740 -0.000 0.000 0.285 599 N C -2.388 173.130 175.510 0.013 0.000 1.075 599 N CA -1.408 51.657 53.050 0.025 0.000 0.967 599 N CB 1.637 40.158 38.487 0.057 0.000 1.137 599 N HN 0.067 nan 8.380 nan 0.000 0.472 600 P HA -0.021 nan 4.420 nan 0.000 0.271 600 P C -0.209 177.107 177.300 0.027 0.000 1.220 600 P CA -0.338 62.767 63.100 0.008 0.000 0.768 600 P CB 0.536 32.247 31.700 0.018 0.000 0.848 601 V N 1.708 121.595 119.914 -0.046 0.000 2.625 601 V HA 0.172 4.292 4.120 -0.000 0.000 0.305 601 V C -0.057 176.121 176.094 0.140 0.000 1.055 601 V CA 0.509 62.770 62.300 -0.065 0.000 1.209 601 V CB -1.187 30.411 31.823 -0.375 0.000 0.877 601 V HN 0.583 nan 8.190 nan 0.000 0.489 602 S N 3.454 119.322 115.700 0.279 0.000 2.638 602 S HA 0.727 5.197 4.470 -0.000 0.000 0.274 602 S C -1.336 173.421 174.600 0.261 0.000 1.157 602 S CA -0.580 57.790 58.200 0.283 0.000 0.826 602 S CB 1.675 64.987 63.200 0.187 0.000 1.139 602 S HN 0.741 nan 8.310 nan 0.000 0.474 603 Y N 1.467 121.851 120.300 0.139 0.000 2.350 603 Y HA 0.403 4.953 4.550 -0.000 0.000 0.338 603 Y C 0.161 176.096 175.900 0.058 0.000 0.961 603 Y CA -0.397 57.751 58.100 0.080 0.000 1.100 603 Y CB 1.637 40.098 38.460 0.002 0.000 1.179 603 Y HN 0.604 nan 8.280 nan 0.000 0.454 604 Q N 4.387 124.284 119.800 0.162 0.000 2.296 604 Q HA 0.341 4.680 4.340 -0.000 0.000 0.263 604 Q C -1.159 174.900 176.000 0.098 0.000 1.026 604 Q CA -0.208 55.653 55.803 0.096 0.000 0.912 604 Q CB 0.389 29.232 28.738 0.175 0.000 1.198 604 Q HN 0.629 nan 8.270 nan 0.000 0.407 605 I N 5.968 126.561 120.570 0.038 0.000 2.312 605 I HA 0.218 4.388 4.170 -0.000 0.000 0.291 605 I C -0.237 175.785 176.117 -0.157 0.000 1.031 605 I CA -0.006 61.279 61.300 -0.024 0.000 1.293 605 I CB 0.852 38.840 38.000 -0.019 0.000 1.403 605 I HN 0.523 nan 8.210 nan 0.000 0.484 606 I N 9.029 129.480 120.570 -0.199 0.000 2.503 606 I HA 0.252 4.422 4.170 -0.000 0.000 0.277 606 I C -1.616 174.270 176.117 -0.384 0.000 1.078 606 I CA -1.477 59.614 61.300 -0.349 0.000 1.184 606 I CB 1.103 39.066 38.000 -0.062 0.000 1.353 606 I HN 0.397 nan 8.210 nan 0.000 0.490 607 P HA -0.140 nan 4.420 nan 0.000 0.229 607 P C -0.177 177.156 177.300 0.056 0.000 1.160 607 P CA 1.068 64.036 63.100 -0.221 0.000 0.777 607 P CB 0.044 31.621 31.700 -0.205 0.000 0.814 608 Y N 0.331 120.603 120.300 -0.046 0.000 2.402 608 Y HA 0.607 5.157 4.550 -0.000 0.000 0.325 608 Y C -0.059 175.969 175.900 0.214 0.000 1.009 608 Y CA -1.497 56.715 58.100 0.187 0.000 1.278 608 Y CB 0.899 39.548 38.460 0.315 0.000 1.105 608 Y HN -0.141 nan 8.280 nan 0.000 0.476 609 A N 4.043 126.684 122.820 -0.300 0.000 2.574 609 A HA 0.703 5.023 4.320 -0.000 0.000 0.283 609 A C 0.754 178.081 177.584 -0.427 0.000 1.270 609 A CA 0.215 52.058 52.037 -0.324 0.000 0.945 609 A CB -0.765 18.160 19.000 -0.125 0.000 1.127 609 A HN 1.651 nan 8.150 nan 0.000 0.522 610 G N -2.141 106.134 108.800 -0.874 0.000 2.515 610 G HA2 0.505 4.465 3.960 -0.000 0.000 0.686 610 G HA3 0.505 4.465 3.960 -0.000 0.000 0.686 610 G C -0.209 174.840 174.900 0.248 0.000 1.274 610 G CA -0.338 44.587 45.100 -0.293 0.000 0.874 610 G HN 1.771 nan 8.290 nan 0.000 0.631 611 G N -1.869 107.127 108.800 0.326 0.000 2.608 611 G HA2 0.825 4.785 3.960 -0.000 0.000 0.291 611 G HA3 0.825 4.785 3.960 -0.000 0.000 0.291 611 G C 0.651 175.669 174.900 0.197 0.000 1.425 611 G CA 0.943 46.194 45.100 0.252 0.000 0.787 611 G HN 1.957 nan 8.290 nan 0.000 0.484 612 T N -3.034 111.585 114.554 0.108 0.000 3.037 612 T HA 0.282 4.632 4.350 -0.000 0.000 0.251 612 T C 0.661 175.396 174.700 0.057 0.000 1.079 612 T CA 0.567 62.702 62.100 0.058 0.000 1.067 612 T CB -0.200 68.667 68.868 -0.001 0.000 0.948 612 T HN 0.501 nan 8.240 nan 0.000 0.496 613 H N 1.246 120.331 119.070 0.025 0.000 2.595 613 H HA 0.482 5.038 4.556 -0.000 0.000 0.346 613 H C -2.471 172.879 175.328 0.037 0.000 1.181 613 H CA -2.801 53.243 56.048 -0.007 0.000 1.242 613 H CB 1.418 31.128 29.762 -0.087 0.000 1.652 613 H HN 0.083 nan 8.280 nan 0.000 0.548 614 P HA -0.022 nan 4.420 nan 0.000 0.269 614 P C -0.940 176.387 177.300 0.046 0.000 1.215 614 P CA -0.119 63.020 63.100 0.065 0.000 0.780 614 P CB 0.675 32.378 31.700 0.005 0.000 0.898 615 V N 1.202 121.117 119.914 0.001 0.000 2.617 615 V HA 0.561 4.681 4.120 -0.000 0.000 0.298 615 V C 0.463 176.510 176.094 -0.078 0.000 1.048 615 V CA -0.898 61.360 62.300 -0.070 0.000 0.964 615 V CB 1.128 32.770 31.823 -0.303 0.000 1.004 615 V HN 0.645 nan 8.190 nan 0.000 0.466 616 A N 3.404 126.189 122.820 -0.059 0.000 2.328 616 A HA 0.481 4.801 4.320 -0.000 0.000 0.284 616 A C 0.781 178.336 177.584 -0.048 0.000 1.160 616 A CA -0.538 51.473 52.037 -0.043 0.000 0.818 616 A CB 0.302 19.291 19.000 -0.018 0.000 1.087 616 A HN 0.725 nan 8.150 nan 0.000 0.504 617 K N 1.643 122.021 120.400 -0.036 0.000 2.589 617 K HA 0.272 4.591 4.320 -0.000 0.000 0.204 617 K C 0.678 177.290 176.600 0.019 0.000 1.029 617 K CA 0.868 57.143 56.287 -0.020 0.000 1.177 617 K CB -0.658 31.829 32.500 -0.021 0.000 0.902 617 K HN 1.219 nan 8.250 nan 0.000 0.501 618 G N -0.340 108.479 108.800 0.031 0.000 2.361 618 G HA2 0.180 4.140 3.960 -0.000 0.000 0.331 618 G HA3 0.180 4.140 3.960 -0.000 0.000 0.331 618 G C -1.373 173.574 174.900 0.077 0.000 1.324 618 G CA -0.641 44.495 45.100 0.059 0.000 0.984 618 G HN 0.183 nan 8.290 nan 0.000 0.586 619 A N -0.045 122.843 122.820 0.113 0.000 2.567 619 A HA 0.458 4.778 4.320 -0.000 0.000 0.240 619 A C 0.840 178.580 177.584 0.260 0.000 1.053 619 A CA 0.623 52.797 52.037 0.229 0.000 0.755 619 A CB 0.135 19.283 19.000 0.246 0.000 0.978 619 A HN 0.566 nan 8.150 nan 0.000 0.507 620 Q N 1.797 121.683 119.800 0.143 0.000 3.170 620 Q HA 0.326 4.666 4.340 -0.000 0.000 0.346 620 Q C -1.491 174.241 176.000 -0.446 0.000 1.333 620 Q CA 0.517 56.242 55.803 -0.131 0.000 0.958 620 Q CB -0.452 28.148 28.738 -0.231 0.000 1.600 620 Q HN 0.599 nan 8.270 nan 0.000 0.482 621 F N -0.606 119.412 119.950 0.114 0.000 2.601 621 F HA 0.506 5.033 4.527 -0.000 0.000 0.309 621 F C 0.058 175.868 175.800 0.016 0.000 1.089 621 F CA -1.248 56.822 58.000 0.116 0.000 0.940 621 F CB 1.165 40.297 39.000 0.220 0.000 1.273 621 F HN 0.031 nan 8.300 nan 0.000 0.450 622 A N 3.205 126.087 122.820 0.103 0.000 2.425 622 A HA 0.420 4.740 4.320 -0.000 0.000 0.249 622 A C -1.665 175.710 177.584 -0.349 0.000 1.084 622 A CA -1.197 50.786 52.037 -0.091 0.000 0.781 622 A CB -0.084 18.886 19.000 -0.051 0.000 1.019 622 A HN 0.563 nan 8.150 nan 0.000 0.490 623 P HA -0.169 nan 4.420 nan 0.000 0.222 623 P C 0.252 177.230 177.300 -0.536 0.000 1.142 623 P CA 1.562 64.024 63.100 -1.064 0.000 0.788 623 P CB -0.004 31.367 31.700 -0.549 0.000 0.767 624 D N -1.784 118.427 120.400 -0.316 0.000 2.388 624 D HA 0.026 4.666 4.640 -0.000 0.000 0.221 624 D C 0.294 176.463 176.300 -0.218 0.000 1.133 624 D CA -0.103 53.744 54.000 -0.255 0.000 0.831 624 D CB -0.215 40.471 40.800 -0.189 0.000 0.962 624 D HN 0.076 nan 8.370 nan 0.000 0.502 625 E N -0.184 119.961 120.200 -0.092 0.000 2.343 625 E HA 0.044 4.394 4.350 -0.000 0.000 0.269 625 E C 0.201 176.821 176.600 0.032 0.000 1.047 625 E CA -0.445 55.998 56.400 0.073 0.000 0.874 625 E CB 1.004 30.857 29.700 0.255 0.000 1.033 625 E HN 0.247 nan 8.360 nan 0.000 0.409 626 W N 1.827 123.180 121.300 0.089 0.000 2.388 626 W HA -0.053 4.607 4.660 -0.000 0.000 0.294 626 W C 2.132 178.627 176.519 -0.039 0.000 1.212 626 W CA 0.112 57.457 57.345 0.001 0.000 1.271 626 W CB -0.036 29.318 29.460 -0.177 0.000 1.126 626 W HN 0.575 nan 8.180 nan 0.000 0.535 627 I N -0.318 120.297 120.570 0.076 0.000 2.335 627 I HA -0.376 3.794 4.170 -0.000 0.000 0.251 627 I C 2.309 178.338 176.117 -0.147 0.000 1.129 627 I CA 1.520 62.748 61.300 -0.119 0.000 1.402 627 I CB -0.286 37.507 38.000 -0.344 0.000 1.069 627 I HN 0.070 nan 8.210 nan 0.000 0.424 628 Y N 0.870 121.043 120.300 -0.212 0.000 2.133 628 Y HA -0.346 4.204 4.550 -0.000 0.000 0.287 628 Y C 2.668 178.531 175.900 -0.061 0.000 1.134 628 Y CA 2.353 60.362 58.100 -0.151 0.000 1.133 628 Y CB -0.816 37.615 38.460 -0.048 0.000 0.987 628 Y HN 0.296 nan 8.280 nan 0.000 0.502 629 H N 0.017 119.196 119.070 0.182 0.000 2.353 629 H HA -0.162 4.394 4.556 -0.000 0.000 0.298 629 H C 2.290 177.647 175.328 0.048 0.000 1.103 629 H CA 2.417 58.515 56.048 0.083 0.000 1.293 629 H CB -0.037 29.678 29.762 -0.077 0.000 1.372 629 H HN 0.266 nan 8.280 nan 0.000 0.501 630 R N -0.621 119.948 120.500 0.116 0.000 2.090 630 R HA 0.084 4.424 4.340 -0.000 0.000 0.228 630 R C 0.260 176.489 176.300 -0.117 0.000 1.110 630 R CA 1.019 57.129 56.100 0.017 0.000 0.973 630 R CB 0.275 30.622 30.300 0.077 0.000 0.869 630 R HN 0.249 nan 8.270 nan 0.000 0.440 631 L N 0.751 121.860 121.223 -0.189 0.000 2.581 631 L HA 0.255 4.595 4.340 -0.000 0.000 0.241 631 L C 0.572 177.160 176.870 -0.471 0.000 1.265 631 L CA -0.265 54.402 54.840 -0.288 0.000 0.954 631 L CB 1.788 43.629 42.059 -0.364 0.000 1.269 631 L HN 0.005 nan 8.230 nan 0.000 0.475 632 S N 0.833 116.341 115.700 -0.319 0.000 2.419 632 S HA -0.167 4.303 4.470 -0.000 0.000 0.233 632 S C 1.690 176.198 174.600 -0.153 0.000 1.016 632 S CA 1.298 59.337 58.200 -0.268 0.000 0.974 632 S CB -0.172 62.979 63.200 -0.082 0.000 0.786 632 S HN 0.726 nan 8.310 nan 0.000 0.492 633 F N 0.722 120.528 119.950 -0.241 0.000 2.546 633 F HA 0.129 4.656 4.527 -0.000 0.000 0.298 633 F C 1.738 177.565 175.800 0.046 0.000 1.120 633 F CA 0.476 58.363 58.000 -0.189 0.000 1.456 633 F CB -0.835 37.887 39.000 -0.464 0.000 1.088 633 F HN 0.069 nan 8.300 nan 0.000 0.572 634 M N 0.424 119.545 119.600 -0.798 0.000 2.358 634 M HA -0.152 4.328 4.480 -0.000 0.000 0.264 634 M C 0.848 177.062 176.300 -0.143 0.000 1.064 634 M CA 1.716 56.696 55.300 -0.533 0.000 1.093 634 M CB -0.386 31.849 32.600 -0.609 0.000 1.401 634 M HN 0.192 nan 8.290 nan 0.000 0.440 635 D N -0.337 120.021 120.400 -0.069 0.000 2.469 635 D HA 0.097 4.737 4.640 -0.000 0.000 0.213 635 D C -0.405 175.933 176.300 0.064 0.000 1.135 635 D CA 0.285 54.278 54.000 -0.012 0.000 0.834 635 D CB 0.678 41.410 40.800 -0.112 0.000 1.009 635 D HN -0.118 nan 8.370 nan 0.000 0.507 636 K N 0.561 121.061 120.400 0.167 0.000 2.397 636 K HA 0.297 4.617 4.320 -0.000 0.000 0.253 636 K C 0.142 176.879 176.600 0.228 0.000 0.932 636 K CA -0.434 55.892 56.287 0.065 0.000 0.795 636 K CB 1.891 34.172 32.500 -0.365 0.000 1.159 636 K HN -0.160 nan 8.250 nan 0.000 0.424 637 Q N 0.479 120.379 119.800 0.167 0.000 2.432 637 Q HA 0.090 4.430 4.340 -0.000 0.000 0.205 637 Q C 0.095 176.244 176.000 0.249 0.000 0.945 637 Q CA 0.415 56.366 55.803 0.246 0.000 0.924 637 Q CB 0.116 29.010 28.738 0.260 0.000 1.016 637 Q HN 0.391 nan 8.270 nan 0.000 0.503 638 L N -0.769 120.538 121.223 0.140 0.000 2.431 638 L HA 0.635 4.975 4.340 -0.000 0.000 0.266 638 L C -2.100 174.763 176.870 -0.012 0.000 0.978 638 L CA -0.573 54.367 54.840 0.167 0.000 0.822 638 L CB 1.359 43.484 42.059 0.111 0.000 1.310 638 L HN -0.030 nan 8.230 nan 0.000 0.409 639 W N 3.806 125.247 121.300 0.235 0.000 2.950 639 W HA 0.812 5.472 4.660 -0.000 0.000 0.340 639 W C -1.230 175.491 176.519 0.336 0.000 1.139 639 W CA -0.821 56.671 57.345 0.244 0.000 1.188 639 W CB 2.248 31.814 29.460 0.177 0.000 1.426 639 W HN 0.312 nan 8.180 nan 0.000 0.531 640 V N 2.130 122.338 119.914 0.489 0.000 2.612 640 V HA 0.640 4.760 4.120 -0.000 0.000 0.301 640 V C -0.235 176.097 176.094 0.396 0.000 1.059 640 V CA -0.879 61.675 62.300 0.424 0.000 0.886 640 V CB 1.328 33.299 31.823 0.246 0.000 1.007 640 V HN 0.581 nan 8.190 nan 0.000 0.426 641 T N 1.424 116.255 114.554 0.462 0.000 2.924 641 T HA 0.753 5.102 4.350 -0.000 0.000 0.291 641 T C -0.308 174.523 174.700 0.217 0.000 1.045 641 T CA -0.935 61.379 62.100 0.357 0.000 1.015 641 T CB 1.980 71.122 68.868 0.458 0.000 1.103 641 T HN 0.497 nan 8.240 nan 0.000 0.496 642 R N 0.775 121.335 120.500 0.100 0.000 2.537 642 R HA 0.234 4.574 4.340 -0.000 0.000 0.280 642 R C -0.784 175.366 176.300 -0.249 0.000 1.058 642 R CA -0.471 55.589 56.100 -0.066 0.000 1.057 642 R CB -0.300 29.925 30.300 -0.126 0.000 0.973 642 R HN 0.739 nan 8.270 nan 0.000 0.438 643 Y N 4.112 124.243 120.300 -0.281 0.000 2.544 643 Y HA 0.139 4.689 4.550 -0.000 0.000 0.330 643 Y C -0.834 174.799 175.900 -0.445 0.000 1.136 643 Y CA 0.386 58.335 58.100 -0.251 0.000 1.417 643 Y CB 0.247 38.632 38.460 -0.125 0.000 1.229 643 Y HN 0.696 nan 8.280 nan 0.000 0.532 644 H N 6.478 125.062 119.070 -0.811 0.000 2.806 644 H HA 0.260 4.816 4.556 -0.000 0.000 0.367 644 H C -1.934 172.827 175.328 -0.945 0.000 1.136 644 H CA -2.213 53.352 56.048 -0.805 0.000 1.178 644 H CB 1.812 31.361 29.762 -0.355 0.000 1.718 644 H HN 0.384 nan 8.280 nan 0.000 0.540 645 P HA -0.197 nan 4.420 nan 0.000 0.218 645 P C 1.296 178.478 177.300 -0.197 0.000 1.154 645 P CA 1.946 64.876 63.100 -0.282 0.000 0.872 645 P CB 0.116 31.758 31.700 -0.096 0.000 0.790 646 G N -1.114 107.583 108.800 -0.171 0.000 3.314 646 G HA2 0.004 3.964 3.960 -0.000 0.000 0.238 646 G HA3 0.004 3.964 3.960 -0.000 0.000 0.238 646 G C -0.095 174.690 174.900 -0.192 0.000 1.184 646 G CA -0.115 44.910 45.100 -0.125 0.000 0.806 646 G HN 0.287 nan 8.290 nan 0.000 0.536 647 E N 0.847 120.845 120.200 -0.335 0.000 2.173 647 E HA 0.303 4.653 4.350 -0.000 0.000 0.249 647 E C 0.322 176.720 176.600 -0.338 0.000 0.923 647 E CA -0.565 55.444 56.400 -0.651 0.000 0.754 647 E CB 0.944 29.938 29.700 -1.176 0.000 1.177 647 E HN 0.112 nan 8.360 nan 0.000 0.430 648 R N 1.195 121.489 120.500 -0.342 0.000 2.394 648 R HA 0.212 4.552 4.340 -0.000 0.000 0.220 648 R C -0.136 175.854 176.300 -0.517 0.000 0.887 648 R CA 0.245 55.997 56.100 -0.581 0.000 1.034 648 R CB 0.627 30.228 30.300 -1.165 0.000 1.179 648 R HN 0.225 nan 8.270 nan 0.000 0.561 649 F N 1.968 122.110 119.950 0.319 0.000 2.529 649 F HA 0.397 4.924 4.527 -0.000 0.000 0.320 649 F C -1.558 174.197 175.800 -0.074 0.000 1.118 649 F CA -2.849 55.223 58.000 0.119 0.000 0.915 649 F CB 1.763 40.749 39.000 -0.023 0.000 1.161 649 F HN -0.271 nan 8.300 nan 0.000 0.445 650 P HA -0.166 nan 4.420 nan 0.000 0.221 650 P C 0.809 177.797 177.300 -0.521 0.000 1.150 650 P CA 1.520 64.232 63.100 -0.647 0.000 0.800 650 P CB 0.266 31.367 31.700 -0.998 0.000 0.787 651 E N 0.535 120.515 120.200 -0.367 0.000 2.474 651 E HA 0.157 4.507 4.350 -0.000 0.000 0.194 651 E C 0.779 177.315 176.600 -0.107 0.000 1.041 651 E CA 0.588 56.929 56.400 -0.098 0.000 0.874 651 E CB -0.469 29.221 29.700 -0.018 0.000 0.914 651 E HN 0.152 nan 8.360 nan 0.000 0.498 652 G N 1.939 110.686 108.800 -0.090 0.000 2.692 652 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.686 652 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.686 652 G C 0.105 174.976 174.900 -0.049 0.000 1.243 652 G CA -0.037 45.030 45.100 -0.055 0.000 0.782 652 G HN 0.161 nan 8.290 nan 0.000 0.625 653 K N -0.448 119.958 120.400 0.009 0.000 2.044 653 K HA -0.093 4.227 4.320 -0.000 0.000 0.210 653 K C 0.577 176.770 176.600 -0.678 0.000 1.049 653 K CA 1.990 58.079 56.287 -0.331 0.000 0.927 653 K CB -0.160 32.162 32.500 -0.297 0.000 0.713 653 K HN 0.515 nan 8.250 nan 0.000 0.443 654 Y N 0.049 120.289 120.300 -0.101 0.000 2.747 654 Y HA 0.252 4.802 4.550 -0.000 0.000 0.362 654 Y C -2.030 173.801 175.900 -0.115 0.000 1.026 654 Y CA -2.285 55.753 58.100 -0.103 0.000 1.135 654 Y CB 1.441 39.866 38.460 -0.059 0.000 1.175 654 Y HN 0.185 nan 8.280 nan 0.000 0.643 655 P HA -0.000 nan 4.420 nan 0.000 0.255 655 P C 0.033 177.291 177.300 -0.069 0.000 1.248 655 P CA 0.222 63.282 63.100 -0.066 0.000 0.807 655 P CB 0.497 32.152 31.700 -0.075 0.000 1.150 656 N N 2.360 121.026 118.700 -0.056 0.000 2.429 656 N HA -0.038 4.702 4.740 -0.000 0.000 0.271 656 N C 0.286 175.663 175.510 -0.223 0.000 1.272 656 N CA 0.356 53.341 53.050 -0.109 0.000 0.921 656 N CB -0.494 37.954 38.487 -0.065 0.000 1.128 656 N HN -0.061 nan 8.380 nan 0.000 0.481 657 R N 0.439 120.793 120.500 -0.243 0.000 3.525 657 R HA -0.169 4.171 4.340 -0.000 0.000 0.276 657 R C -0.382 175.730 176.300 -0.313 0.000 1.116 657 R CA 0.810 56.721 56.100 -0.315 0.000 0.745 657 R CB -2.618 27.292 30.300 -0.651 0.000 1.185 657 R HN 0.721 nan 8.270 nan 0.000 0.454 658 S N -1.021 114.541 115.700 -0.231 0.000 2.565 658 S HA 0.229 4.699 4.470 -0.000 0.000 0.276 658 S C 1.501 175.869 174.600 -0.386 0.000 1.326 658 S CA -0.043 58.006 58.200 -0.253 0.000 1.045 658 S CB 1.728 64.810 63.200 -0.197 0.000 0.918 658 S HN 0.320 nan 8.310 nan 0.000 0.505 659 T N -1.696 112.593 114.554 -0.442 0.000 3.044 659 T HA 0.222 4.572 4.350 -0.000 0.000 0.250 659 T C 0.327 175.098 174.700 0.118 0.000 1.081 659 T CA 0.605 62.303 62.100 -0.671 0.000 1.040 659 T CB -0.807 67.682 68.868 -0.631 0.000 0.962 659 T HN 1.033 nan 8.240 nan 0.000 0.506 660 H N -1.955 117.132 119.070 0.028 0.000 2.990 660 H HA 0.595 5.151 4.556 -0.000 0.000 0.336 660 H C -1.575 173.743 175.328 -0.017 0.000 1.306 660 H CA -1.142 54.990 56.048 0.139 0.000 1.118 660 H CB 0.590 30.432 29.762 0.132 0.000 1.856 660 H HN -0.081 nan 8.280 nan 0.000 0.538 661 D N 1.046 121.349 120.400 -0.162 0.000 2.346 661 D HA 0.013 4.653 4.640 -0.000 0.000 0.260 661 D C 0.654 176.770 176.300 -0.308 0.000 1.252 661 D CA 0.523 54.375 54.000 -0.247 0.000 0.895 661 D CB 0.909 41.562 40.800 -0.244 0.000 1.097 661 D HN 0.726 nan 8.370 nan 0.000 0.489 662 T N 0.476 114.813 114.554 -0.362 0.000 3.134 662 T HA 0.356 4.706 4.350 -0.000 0.000 0.260 662 T C 0.964 175.432 174.700 -0.387 0.000 1.027 662 T CA -0.037 61.875 62.100 -0.314 0.000 0.913 662 T CB 0.707 69.421 68.868 -0.256 0.000 1.046 662 T HN 0.275 nan 8.240 nan 0.000 0.553 663 G N 1.369 109.844 108.800 -0.541 0.000 3.441 663 G HA2 0.449 4.409 3.960 -0.000 0.000 0.195 663 G HA3 0.449 4.409 3.960 -0.000 0.000 0.195 663 G C 0.828 174.829 174.900 -1.497 0.000 1.633 663 G CA -0.558 43.975 45.100 -0.945 0.000 0.895 663 G HN 0.292 nan 8.290 nan 0.000 0.654 664 L N 1.088 121.611 121.223 -1.167 0.000 2.127 664 L HA -0.014 4.325 4.340 -0.000 0.000 0.211 664 L C 3.101 179.554 176.870 -0.695 0.000 1.089 664 L CA 1.154 55.304 54.840 -1.151 0.000 0.757 664 L CB -0.587 40.476 42.059 -1.659 0.000 0.899 664 L HN 0.549 nan 8.230 nan 0.000 0.434 665 G N -0.819 107.670 108.800 -0.518 0.000 2.514 665 G HA2 -0.387 3.572 3.960 -0.000 0.000 0.217 665 G HA3 -0.387 3.572 3.960 -0.000 0.000 0.217 665 G C 1.426 176.221 174.900 -0.174 0.000 1.198 665 G CA 0.966 45.939 45.100 -0.211 0.000 0.780 665 G HN 0.404 nan 8.290 nan 0.000 0.565 666 Q N -0.899 118.728 119.800 -0.289 0.000 2.096 666 Q HA -0.193 4.146 4.340 -0.000 0.000 0.204 666 Q C 2.440 178.433 176.000 -0.010 0.000 0.982 666 Q CA 1.693 57.405 55.803 -0.152 0.000 0.850 666 Q CB -0.245 28.388 28.738 -0.175 0.000 0.901 666 Q HN 0.610 nan 8.270 nan 0.000 0.422 667 Y N 0.121 120.378 120.300 -0.072 0.000 2.200 667 Y HA -0.114 4.436 4.550 -0.000 0.000 0.290 667 Y C 2.711 178.645 175.900 0.056 0.000 1.137 667 Y CA 1.241 59.328 58.100 -0.021 0.000 1.163 667 Y CB -0.886 37.508 38.460 -0.111 0.000 0.988 667 Y HN 0.275 nan 8.280 nan 0.000 0.518 668 S N -0.482 115.342 115.700 0.206 0.000 2.558 668 S HA -0.018 4.452 4.470 -0.000 0.000 0.217 668 S C 1.846 176.542 174.600 0.161 0.000 0.975 668 S CA 0.423 58.755 58.200 0.220 0.000 0.912 668 S CB -0.124 63.266 63.200 0.315 0.000 0.776 668 S HN 0.204 nan 8.310 nan 0.000 0.526 669 K N 3.381 123.855 120.400 0.123 0.000 2.052 669 K HA -0.221 4.099 4.320 -0.000 0.000 0.215 669 K C 1.255 177.910 176.600 0.092 0.000 1.053 669 K CA 2.270 58.612 56.287 0.091 0.000 0.934 669 K CB -0.665 31.877 32.500 0.070 0.000 0.717 669 K HN 0.624 nan 8.250 nan 0.000 0.450 670 D N -0.596 119.867 120.400 0.105 0.000 2.324 670 D HA -0.104 4.536 4.640 -0.000 0.000 0.235 670 D C -0.516 175.843 176.300 0.099 0.000 1.095 670 D CA 0.058 54.114 54.000 0.093 0.000 0.871 670 D CB -1.278 39.579 40.800 0.094 0.000 0.906 670 D HN 0.486 nan 8.370 nan 0.000 0.522 671 N N 0.912 119.676 118.700 0.107 0.000 2.700 671 N HA -0.214 4.526 4.740 -0.000 0.000 0.265 671 N C -0.880 174.690 175.510 0.100 0.000 0.975 671 N CA 0.169 53.279 53.050 0.101 0.000 0.800 671 N CB -0.423 38.111 38.487 0.078 0.000 0.908 671 N HN 0.450 nan 8.380 nan 0.000 0.551 672 E N 0.325 120.597 120.200 0.121 0.000 2.373 672 E HA 0.100 4.450 4.350 -0.000 0.000 0.263 672 E C 0.350 177.010 176.600 0.101 0.000 1.073 672 E CA -0.343 56.126 56.400 0.115 0.000 0.894 672 E CB 0.952 30.738 29.700 0.144 0.000 1.008 672 E HN 0.350 nan 8.360 nan 0.000 0.420 673 S N 1.767 117.519 115.700 0.087 0.000 2.562 673 S HA 0.060 4.529 4.470 -0.000 0.000 0.281 673 S C 0.465 175.113 174.600 0.080 0.000 1.333 673 S CA -0.316 57.930 58.200 0.077 0.000 1.052 673 S CB 0.275 63.514 63.200 0.065 0.000 0.884 673 S HN 0.489 nan 8.310 nan 0.000 0.506 674 L N 2.498 123.768 121.223 0.077 0.000 2.857 674 L HA 0.356 4.696 4.340 -0.000 0.000 0.249 674 L C 0.240 177.148 176.870 0.064 0.000 1.172 674 L CA -0.224 54.663 54.840 0.077 0.000 0.980 674 L CB 0.093 42.205 42.059 0.089 0.000 1.299 674 L HN 0.624 nan 8.230 nan 0.000 0.535 675 D N 1.289 121.723 120.400 0.057 0.000 2.351 675 D HA -0.009 4.630 4.640 -0.000 0.000 0.251 675 D C 0.745 177.071 176.300 0.043 0.000 1.137 675 D CA 0.096 54.125 54.000 0.048 0.000 0.879 675 D CB 0.355 41.182 40.800 0.045 0.000 1.181 675 D HN 0.109 nan 8.370 nan 0.000 0.448 676 N N 2.661 121.383 118.700 0.037 0.000 2.666 676 N HA -0.260 4.480 4.740 -0.000 0.000 0.274 676 N C -1.376 174.153 175.510 0.033 0.000 1.043 676 N CA 0.721 53.790 53.050 0.031 0.000 0.782 676 N CB -0.413 38.088 38.487 0.023 0.000 0.912 676 N HN 0.441 nan 8.380 nan 0.000 0.556 677 T N 0.178 114.755 114.554 0.038 0.000 2.769 677 T HA 0.077 4.427 4.350 -0.000 0.000 0.306 677 T C -1.692 173.034 174.700 0.043 0.000 1.400 677 T CA -0.645 61.480 62.100 0.042 0.000 1.007 677 T CB 1.421 70.319 68.868 0.050 0.000 1.392 677 T HN 0.202 nan 8.240 nan 0.000 0.500 678 D N 1.872 122.298 120.400 0.044 0.000 2.349 678 D HA 0.469 5.109 4.640 -0.000 0.000 0.266 678 D C -0.143 176.201 176.300 0.073 0.000 1.293 678 D CA 0.167 54.196 54.000 0.047 0.000 0.926 678 D CB 0.401 41.231 40.800 0.050 0.000 1.090 678 D HN 0.711 nan 8.370 nan 0.000 0.502 679 A N 3.214 126.078 122.820 0.072 0.000 2.306 679 A HA 0.638 4.958 4.320 -0.000 0.000 0.330 679 A C -0.615 177.023 177.584 0.090 0.000 1.146 679 A CA -0.635 51.459 52.037 0.094 0.000 0.827 679 A CB 1.453 20.509 19.000 0.093 0.000 1.178 679 A HN 0.349 nan 8.150 nan 0.000 0.490 680 V N 1.970 121.954 119.914 0.115 0.000 2.540 680 V HA 0.427 4.546 4.120 -0.000 0.000 0.302 680 V C -0.468 175.634 176.094 0.013 0.000 1.035 680 V CA -0.515 61.789 62.300 0.007 0.000 0.873 680 V CB 1.707 33.509 31.823 -0.034 0.000 0.992 680 V HN 0.664 nan 8.190 nan 0.000 0.428 681 V N 3.861 123.708 119.914 -0.111 0.000 2.435 681 V HA 0.491 4.610 4.120 -0.000 0.000 0.290 681 V C -1.077 174.950 176.094 -0.112 0.000 1.030 681 V CA -0.539 61.778 62.300 0.029 0.000 0.881 681 V CB 1.618 33.463 31.823 0.036 0.000 0.983 681 V HN 0.905 nan 8.190 nan 0.000 0.445 682 W N 4.794 126.222 121.300 0.214 0.000 2.532 682 W HA 0.720 5.380 4.660 -0.000 0.000 0.321 682 W C -0.189 176.495 176.519 0.275 0.000 1.037 682 W CA -0.684 56.786 57.345 0.210 0.000 1.220 682 W CB 1.239 30.785 29.460 0.143 0.000 1.361 682 W HN 0.261 nan 8.180 nan 0.000 0.468 683 M N 3.191 123.046 119.600 0.424 0.000 2.101 683 M HA 0.337 4.816 4.480 -0.000 0.000 0.340 683 M C -0.328 176.201 176.300 0.381 0.000 1.057 683 M CA -0.242 55.279 55.300 0.367 0.000 0.984 683 M CB 1.539 34.307 32.600 0.280 0.000 1.560 683 M HN 0.275 nan 8.290 nan 0.000 0.435 684 T N 1.736 116.525 114.554 0.392 0.000 2.743 684 T HA 0.339 4.689 4.350 -0.000 0.000 0.292 684 T C -0.095 174.789 174.700 0.307 0.000 0.972 684 T CA -0.273 62.040 62.100 0.355 0.000 0.967 684 T CB 0.996 70.120 68.868 0.426 0.000 0.926 684 T HN 0.622 nan 8.240 nan 0.000 0.459 685 T N 2.218 116.959 114.554 0.311 0.000 2.856 685 T HA 0.766 5.116 4.350 -0.000 0.000 0.283 685 T C -0.222 174.643 174.700 0.275 0.000 1.008 685 T CA -0.438 61.852 62.100 0.317 0.000 0.997 685 T CB 1.065 70.166 68.868 0.387 0.000 0.992 685 T HN 0.772 nan 8.240 nan 0.000 0.454 686 G N 1.832 110.747 108.800 0.193 0.000 2.718 686 G HA2 0.635 4.595 3.960 -0.000 0.000 0.295 686 G HA3 0.635 4.595 3.960 -0.000 0.000 0.295 686 G C -0.648 174.303 174.900 0.084 0.000 1.421 686 G CA -0.512 44.652 45.100 0.106 0.000 0.902 686 G HN 0.951 nan 8.290 nan 0.000 0.501 687 T N -2.081 112.514 114.554 0.068 0.000 2.932 687 T HA 0.729 5.079 4.350 -0.000 0.000 0.289 687 T C -0.383 174.302 174.700 -0.025 0.000 1.039 687 T CA -0.650 61.485 62.100 0.059 0.000 1.024 687 T CB 2.068 71.019 68.868 0.139 0.000 1.090 687 T HN 0.379 nan 8.240 nan 0.000 0.496 688 T N 1.970 116.485 114.554 -0.065 0.000 2.756 688 T HA 0.302 4.652 4.350 -0.000 0.000 0.290 688 T C -0.693 173.889 174.700 -0.197 0.000 0.985 688 T CA -0.396 61.621 62.100 -0.139 0.000 0.955 688 T CB -0.067 68.733 68.868 -0.112 0.000 0.930 688 T HN 0.785 nan 8.240 nan 0.000 0.451 689 H N 3.558 122.333 119.070 -0.492 0.000 2.641 689 H HA 0.536 5.092 4.556 -0.000 0.000 0.295 689 H C -0.969 174.085 175.328 -0.456 0.000 1.070 689 H CA -0.714 54.962 56.048 -0.619 0.000 1.257 689 H CB 0.449 29.798 29.762 -0.688 0.000 1.393 689 H HN 0.288 nan 8.280 nan 0.000 0.464 690 V N 5.143 124.996 119.914 -0.101 0.000 2.370 690 V HA 0.367 4.487 4.120 -0.000 0.000 0.283 690 V C 0.463 176.560 176.094 0.005 0.000 1.023 690 V CA -0.537 61.706 62.300 -0.093 0.000 0.857 690 V CB 0.823 32.601 31.823 -0.076 0.000 0.985 690 V HN 0.911 nan 8.190 nan 0.000 0.443 691 A N 6.571 129.343 122.820 -0.080 0.000 2.313 691 A HA 0.858 5.178 4.320 -0.000 0.000 0.261 691 A C 0.258 177.872 177.584 0.051 0.000 1.090 691 A CA -0.333 51.706 52.037 0.004 0.000 0.807 691 A CB 0.546 19.495 19.000 -0.085 0.000 1.055 691 A HN 0.981 nan 8.150 nan 0.000 0.492 692 R N -0.829 119.737 120.500 0.109 0.000 2.739 692 R HA 0.637 4.977 4.340 -0.000 0.000 0.271 692 R C 0.382 176.743 176.300 0.102 0.000 1.010 692 R CA -0.123 56.028 56.100 0.084 0.000 0.897 692 R CB 1.104 31.462 30.300 0.097 0.000 1.236 692 R HN 0.759 nan 8.270 nan 0.000 0.466 693 A N 1.274 124.137 122.820 0.072 0.000 1.978 693 A HA -0.178 4.142 4.320 -0.000 0.000 0.220 693 A C 1.442 179.110 177.584 0.140 0.000 1.170 693 A CA 1.902 53.994 52.037 0.091 0.000 0.636 693 A CB -0.601 18.429 19.000 0.051 0.000 0.810 693 A HN 0.850 nan 8.150 nan 0.000 0.448 694 E N 0.129 120.399 120.200 0.117 0.000 2.333 694 E HA -0.113 4.237 4.350 -0.000 0.000 0.198 694 E C 1.204 177.882 176.600 0.130 0.000 1.007 694 E CA 1.136 57.600 56.400 0.107 0.000 0.845 694 E CB -0.102 29.650 29.700 0.087 0.000 0.766 694 E HN 0.790 nan 8.360 nan 0.000 0.507 695 E N -0.813 119.500 120.200 0.189 0.000 2.444 695 E HA 0.045 4.395 4.350 -0.000 0.000 0.191 695 E C -0.484 176.290 176.600 0.291 0.000 1.041 695 E CA -0.260 56.272 56.400 0.220 0.000 0.883 695 E CB 0.408 30.287 29.700 0.299 0.000 1.024 695 E HN 0.185 nan 8.360 nan 0.000 0.470 696 W N 2.007 123.320 121.300 0.023 0.000 2.839 696 W HA 0.264 4.924 4.660 -0.000 0.000 0.334 696 W C -2.511 174.014 176.519 0.011 0.000 1.064 696 W CA -1.988 55.360 57.345 0.006 0.000 1.236 696 W CB 1.895 31.354 29.460 -0.001 0.000 1.405 696 W HN -0.111 nan 8.180 nan 0.000 0.478 697 P HA 0.202 nan 4.420 nan 0.000 0.261 697 P C -0.314 176.550 177.300 -0.728 0.000 1.268 697 P CA 0.432 62.735 63.100 -1.327 0.000 0.833 697 P CB 1.414 32.496 31.700 -1.031 0.000 1.231 698 I N -0.237 120.142 120.570 -0.320 0.000 2.569 698 I HA 0.360 4.530 4.170 -0.000 0.000 0.290 698 I C -0.861 175.196 176.117 -0.100 0.000 1.088 698 I CA -1.554 59.596 61.300 -0.250 0.000 1.047 698 I CB 2.710 40.560 38.000 -0.251 0.000 1.237 698 I HN -0.287 nan 8.210 nan 0.000 0.421 699 M N 9.961 129.518 119.600 -0.072 0.000 2.108 699 M HA 0.443 4.923 4.480 -0.000 0.000 0.347 699 M C -2.359 173.904 176.300 -0.061 0.000 1.326 699 M CA -1.447 53.861 55.300 0.013 0.000 1.126 699 M CB 0.621 33.294 32.600 0.122 0.000 1.606 699 M HN 0.251 nan 8.290 nan 0.000 0.462 700 P HA -0.029 nan 4.420 nan 0.000 0.264 700 P C -0.792 176.431 177.300 -0.129 0.000 1.179 700 P CA 0.306 63.366 63.100 -0.065 0.000 0.763 700 P CB 0.183 31.867 31.700 -0.026 0.000 0.806 701 T N 4.020 118.483 114.554 -0.151 0.000 2.831 701 T HA 0.030 4.380 4.350 -0.000 0.000 0.291 701 T C 0.350 174.834 174.700 -0.360 0.000 0.981 701 T CA 0.180 62.100 62.100 -0.300 0.000 1.174 701 T CB -0.165 68.552 68.868 -0.252 0.000 0.929 701 T HN 0.332 nan 8.240 nan 0.000 0.532 702 E N 2.215 122.089 120.200 -0.543 0.000 2.214 702 E HA 0.356 4.706 4.350 -0.000 0.000 0.274 702 E C -0.789 175.406 176.600 -0.676 0.000 0.977 702 E CA -0.467 55.606 56.400 -0.545 0.000 0.827 702 E CB 1.581 30.810 29.700 -0.786 0.000 1.130 702 E HN 0.607 nan 8.360 nan 0.000 0.394 703 W N 0.899 122.020 121.300 -0.298 0.000 2.819 703 W HA 0.421 5.081 4.660 -0.000 0.000 0.337 703 W C -0.442 175.858 176.519 -0.365 0.000 1.077 703 W CA -0.750 56.390 57.345 -0.342 0.000 1.226 703 W CB 1.571 30.813 29.460 -0.363 0.000 1.419 703 W HN 0.226 nan 8.180 nan 0.000 0.502 704 V N -0.603 119.240 119.914 -0.119 0.000 2.864 704 V HA 0.632 4.752 4.120 -0.000 0.000 0.314 704 V C -0.769 175.139 176.094 -0.310 0.000 1.073 704 V CA -0.926 61.297 62.300 -0.128 0.000 0.956 704 V CB 1.940 33.844 31.823 0.135 0.000 1.023 704 V HN 0.612 nan 8.190 nan 0.000 0.435 705 H N 1.945 121.064 119.070 0.082 0.000 2.600 705 H HA 0.760 5.316 4.556 -0.000 0.000 0.357 705 H C -0.341 174.961 175.328 -0.043 0.000 1.106 705 H CA 0.034 56.067 56.048 -0.025 0.000 1.193 705 H CB 2.289 31.998 29.762 -0.087 0.000 1.594 705 H HN 1.054 nan 8.280 nan 0.000 0.526 706 T N 0.261 114.822 114.554 0.012 0.000 2.901 706 T HA 0.650 5.000 4.350 -0.000 0.000 0.293 706 T C -0.923 173.699 174.700 -0.130 0.000 1.084 706 T CA -0.861 61.205 62.100 -0.057 0.000 1.008 706 T CB 2.012 70.820 68.868 -0.100 0.000 1.170 706 T HN 0.232 nan 8.240 nan 0.000 0.509 707 L N 0.783 121.929 121.223 -0.128 0.000 2.472 707 L HA 0.685 5.025 4.340 -0.000 0.000 0.260 707 L C -1.685 175.134 176.870 -0.086 0.000 0.963 707 L CA -0.754 54.010 54.840 -0.126 0.000 0.829 707 L CB 2.206 44.205 42.059 -0.100 0.000 1.348 707 L HN 0.804 nan 8.230 nan 0.000 0.408 708 L N 3.917 125.106 121.223 -0.057 0.000 2.372 708 L HA 0.583 4.922 4.340 -0.000 0.000 0.274 708 L C -0.705 176.282 176.870 0.194 0.000 0.988 708 L CA -0.695 54.194 54.840 0.082 0.000 0.833 708 L CB 1.678 43.759 42.059 0.036 0.000 1.236 708 L HN 0.465 nan 8.230 nan 0.000 0.410 709 K N 4.106 124.614 120.400 0.180 0.000 2.292 709 K HA 0.515 4.834 4.320 -0.000 0.000 0.257 709 K C -2.629 173.783 176.600 -0.314 0.000 0.940 709 K CA -1.873 54.426 56.287 0.020 0.000 0.811 709 K CB 2.271 34.798 32.500 0.045 0.000 1.120 709 K HN 0.204 nan 8.250 nan 0.000 0.428 710 P HA -0.036 nan 4.420 nan 0.000 0.271 710 P C -0.975 176.187 177.300 -0.231 0.000 1.216 710 P CA -0.121 62.440 63.100 -0.898 0.000 0.771 710 P CB 0.555 31.950 31.700 -0.507 0.000 0.864 711 W N 5.334 126.454 121.300 -0.299 0.000 2.466 711 W HA 0.168 4.827 4.660 -0.000 0.000 0.303 711 W C -0.373 176.116 176.519 -0.050 0.000 0.999 711 W CA -0.306 56.970 57.345 -0.114 0.000 1.437 711 W CB -0.033 29.381 29.460 -0.077 0.000 1.274 711 W HN 0.537 nan 8.180 nan 0.000 0.417 712 N N 3.519 122.157 118.700 -0.103 0.000 2.714 712 N HA -0.322 4.418 4.740 -0.000 0.000 0.250 712 N C 0.404 175.904 175.510 -0.017 0.000 1.117 712 N CA 1.464 54.485 53.050 -0.049 0.000 0.719 712 N CB -1.901 36.591 38.487 0.009 0.000 1.081 712 N HN 0.516 nan 8.380 nan 0.000 0.557 713 F N -0.234 119.578 119.950 -0.230 0.000 2.293 713 F HA 0.169 4.695 4.527 -0.000 0.000 0.297 713 F C 0.814 176.277 175.800 -0.562 0.000 1.089 713 F CA 0.918 58.654 58.000 -0.441 0.000 1.377 713 F CB 0.219 38.784 39.000 -0.725 0.000 1.051 713 F HN -0.012 nan 8.300 nan 0.000 0.511 714 F N -0.322 119.644 119.950 0.027 0.000 2.585 714 F HA 0.285 4.812 4.527 -0.000 0.000 0.350 714 F C 1.088 176.843 175.800 -0.075 0.000 1.074 714 F CA -0.923 57.055 58.000 -0.037 0.000 1.032 714 F CB 0.368 39.345 39.000 -0.038 0.000 1.330 714 F HN -0.357 nan 8.300 nan 0.000 0.495 715 D N -0.358 120.138 120.400 0.159 0.000 2.369 715 D HA 0.100 4.740 4.640 -0.000 0.000 0.211 715 D C -0.195 176.111 176.300 0.010 0.000 1.077 715 D CA 0.519 54.542 54.000 0.039 0.000 0.842 715 D CB 0.427 41.236 40.800 0.016 0.000 0.947 715 D HN 0.717 nan 8.370 nan 0.000 0.509 716 E N -1.871 118.341 120.200 0.020 0.000 2.427 716 E HA 0.151 4.501 4.350 -0.000 0.000 0.279 716 E C -1.177 175.375 176.600 -0.081 0.000 1.120 716 E CA -0.810 55.563 56.400 -0.045 0.000 0.869 716 E CB 0.158 29.826 29.700 -0.053 0.000 1.393 716 E HN -0.284 nan 8.360 nan 0.000 0.443 717 T N 2.979 117.465 114.554 -0.114 0.000 2.466 717 T HA -0.011 4.339 4.350 -0.000 0.000 0.234 717 T C -1.791 172.818 174.700 -0.152 0.000 1.069 717 T CA -0.017 62.004 62.100 -0.131 0.000 1.271 717 T CB -0.319 68.449 68.868 -0.166 0.000 1.048 717 T HN 0.327 nan 8.240 nan 0.000 0.487 718 P HA 0.043 nan 4.420 nan 0.000 0.242 718 P C 1.119 178.312 177.300 -0.178 0.000 1.197 718 P CA 0.472 63.332 63.100 -0.401 0.000 0.765 718 P CB -0.002 31.131 31.700 -0.946 0.000 0.936 719 T N -4.392 110.136 114.554 -0.044 0.000 3.176 719 T HA 0.265 4.615 4.350 -0.000 0.000 0.263 719 T C 1.341 176.121 174.700 0.134 0.000 1.021 719 T CA -0.196 61.936 62.100 0.053 0.000 0.905 719 T CB -0.697 68.233 68.868 0.103 0.000 1.057 719 T HN 0.003 nan 8.240 nan 0.000 0.558 720 L N 1.161 122.428 121.223 0.073 0.000 2.156 720 L HA 0.322 4.662 4.340 -0.000 0.000 0.208 720 L C 1.552 178.452 176.870 0.050 0.000 1.095 720 L CA 1.015 55.901 54.840 0.077 0.000 0.770 720 L CB -0.682 41.368 42.059 -0.016 0.000 0.914 720 L HN 0.736 nan 8.230 nan 0.000 0.439 721 G N -1.157 107.650 108.800 0.012 0.000 2.612 721 G HA2 0.026 3.986 3.960 -0.000 0.000 0.686 721 G HA3 0.026 3.986 3.960 -0.000 0.000 0.686 721 G C -0.398 174.497 174.900 -0.008 0.000 1.274 721 G CA -0.663 44.435 45.100 -0.003 0.000 0.849 721 G HN 0.376 nan 8.290 nan 0.000 0.595 722 A N -0.039 122.774 122.820 -0.011 0.000 2.448 722 A HA 0.625 4.945 4.320 -0.000 0.000 0.239 722 A C 1.051 178.631 177.584 -0.007 0.000 1.080 722 A CA 0.229 52.262 52.037 -0.008 0.000 0.779 722 A CB 0.134 19.128 19.000 -0.010 0.000 1.026 722 A HN 1.376 nan 8.150 nan 0.000 0.499 723 L N 1.338 122.557 121.223 -0.006 0.000 2.439 723 L HA 0.141 4.481 4.340 -0.000 0.000 0.269 723 L C 1.008 177.874 176.870 -0.007 0.000 1.179 723 L CA -0.153 54.683 54.840 -0.007 0.000 0.828 723 L CB 0.475 42.529 42.059 -0.008 0.000 1.106 723 L HN 0.773 nan 8.230 nan 0.000 0.467 724 K N 0.000 120.396 120.400 -0.006 0.000 2.780 724 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 724 K CA 0.000 56.283 56.287 -0.006 0.000 0.838 724 K CB 0.000 32.497 32.500 -0.005 0.000 1.064 724 K HN 0.000 nan 8.250 nan 0.000 0.543