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 1zm4_1_A DATA FIRST_RESID 2 DATA SEQUENCE VAFTVDQMRS LMDKVTNVRN MSVIAHVDHG KSTLTDSLVQ RAGIISAXXX DATA SEQUENCE XXXXXXXXXX XXXXXGITIK STAISLYSEM SDEDVKEIKQ KTDGNSFLIN DATA SEQUENCE LIDSPGHVDF SSEVTAALRV TDGALVVVDT IEGVCVQTET VLRQALGERI DATA SEQUENCE KPVVVINKVD RALLELQVSK EDLYQTFART VESVNVIVST YADEVLGDVQ DATA SEQUENCE VYPARGTVAF GSGLHGWAFT IRQFATRYAK KFGVDKAKMM DRLWGDSFFN DATA SEQUENCE PKTKKWTNKD TDAEGKPLER AFNMFILDPI FRLFTAIMNF KKDEIPVLLE DATA SEQUENCE KLEIVLKGDE KDLEGKALLK VVMRKFLPAA DALLEMIVLH LPSPVTAQAY DATA SEQUENCE RAEQLYEGPA DDANCIAIKN CDPKADLMLY VSKMVPTSDK GRFYAFGRVF DATA SEQUENCE AGTVKSGQKV RIQGPNYVPG KKDDLFIKAI QRVVLMMGRF VEPIDDCPAG DATA SEQUENCE NIIGLVGIDQ FLLKTGTLTT SETAHNMKVM KFSVSPVVQV AVEVKNANDL DATA SEQUENCE PKLVEGLKRL SKSDPCVLTY MSESGEHIVA GTGELHLEIC LQDLEHDHAG DATA SEQUENCE VPLKISPPVV AYRETVESES SQTALSKSPN KHNRIYLKAE PIDEEVSLAI DATA SEQUENCE ENGIINPRDD FKARARIMAD DYGWDVTDAR KIWCFGPDGN GPNLVIDQTK DATA SEQUENCE AVQYLHEIKD SVVAAFQWAT KEGPIFGEEM RSVRVNILDV TLHADAIXRG DATA SEQUENCE GGQIIPTMRR ATYAGFLLAD PKIQEPVFLV EIQCPEQAVG GIYSVLNKKR DATA SEQUENCE GQVVSEEQRP GTPLFTVKAY LPVNESFGFT GELRQATGGQ AFPQMVFDHW DATA SEQUENCE STLGSDPLDP TSKAGEIVLA ARKRHGMKEE VPGWQEYYDK L 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 2 V HA 0.000 nan 4.120 nan 0.000 0.244 2 V C 0.000 175.808 176.094 -0.477 0.000 1.182 2 V CA 0.000 62.107 62.300 -0.322 0.000 1.235 2 V CB 0.000 31.529 31.823 -0.490 0.000 1.184 3 A N 3.472 125.981 122.820 -0.518 0.000 2.295 3 A HA 0.997 5.321 4.320 0.006 0.000 0.318 3 A C -1.314 175.898 177.584 -0.621 0.000 1.134 3 A CA -0.269 51.531 52.037 -0.395 0.000 0.827 3 A CB 0.864 19.744 19.000 -0.199 0.000 1.136 3 A HN 1.017 nan 8.150 nan 0.000 0.493 4 F N -0.734 119.189 119.950 -0.045 0.000 2.631 4 F HA 0.521 5.052 4.527 0.006 0.000 0.308 4 F C 0.730 176.505 175.800 -0.042 0.000 1.097 4 F CA -0.301 57.661 58.000 -0.063 0.000 0.952 4 F CB 2.164 41.114 39.000 -0.084 0.000 1.307 4 F HN 0.705 nan 8.300 nan 0.000 0.450 5 T N -1.623 113.046 114.554 0.192 0.000 2.918 5 T HA 0.420 4.773 4.350 0.006 0.000 0.283 5 T C 0.961 175.693 174.700 0.053 0.000 1.001 5 T CA -0.653 61.497 62.100 0.083 0.000 1.041 5 T CB 1.310 70.207 68.868 0.049 0.000 1.028 5 T HN 0.333 nan 8.240 nan 0.000 0.511 6 V N 1.508 121.439 119.914 0.029 0.000 2.453 6 V HA -0.179 3.945 4.120 0.006 0.000 0.252 6 V C 2.391 178.477 176.094 -0.014 0.000 1.068 6 V CA 2.074 64.380 62.300 0.011 0.000 1.070 6 V CB -0.827 31.000 31.823 0.006 0.000 0.664 6 V HN 0.879 nan 8.190 nan 0.000 0.461 7 D N -0.306 120.084 120.400 -0.016 0.000 2.097 7 D HA -0.173 4.471 4.640 0.006 0.000 0.197 7 D C 2.318 178.578 176.300 -0.068 0.000 0.984 7 D CA 1.323 55.302 54.000 -0.035 0.000 0.826 7 D CB -0.191 40.593 40.800 -0.026 0.000 0.973 7 D HN 0.551 nan 8.370 nan 0.000 0.460 8 Q N -0.153 119.598 119.800 -0.082 0.000 2.030 8 Q HA -0.141 4.203 4.340 0.006 0.000 0.204 8 Q C 2.330 178.173 176.000 -0.262 0.000 0.986 8 Q CA 1.096 56.783 55.803 -0.194 0.000 0.843 8 Q CB -0.089 28.518 28.738 -0.219 0.000 0.904 8 Q HN 0.246 nan 8.270 nan 0.000 0.420 9 M N 0.579 120.064 119.600 -0.191 0.000 2.065 9 M HA -0.185 4.299 4.480 0.006 0.000 0.259 9 M C 2.325 178.560 176.300 -0.107 0.000 1.069 9 M CA 1.861 57.069 55.300 -0.152 0.000 1.110 9 M CB -1.084 31.487 32.600 -0.048 0.000 1.328 9 M HN 0.279 nan 8.290 nan 0.000 0.405 10 R N 0.688 121.142 120.500 -0.076 0.000 2.083 10 R HA -0.132 4.211 4.340 0.006 0.000 0.237 10 R C 2.244 178.500 176.300 -0.074 0.000 1.137 10 R CA 2.370 58.434 56.100 -0.061 0.000 0.951 10 R CB -1.094 29.179 30.300 -0.046 0.000 0.851 10 R HN 0.430 nan 8.270 nan 0.000 0.434 11 S N 1.376 117.022 115.700 -0.089 0.000 2.368 11 S HA -0.166 4.308 4.470 0.006 0.000 0.225 11 S C 2.051 176.588 174.600 -0.105 0.000 1.030 11 S CA 1.143 59.288 58.200 -0.091 0.000 0.999 11 S CB -0.548 62.592 63.200 -0.099 0.000 0.844 11 S HN 0.364 nan 8.310 nan 0.000 0.459 12 L N 1.130 122.268 121.223 -0.141 0.000 2.131 12 L HA 0.205 4.549 4.340 0.006 0.000 0.210 12 L C 2.394 179.211 176.870 -0.089 0.000 1.092 12 L CA 1.675 56.433 54.840 -0.138 0.000 0.759 12 L CB -0.739 41.197 42.059 -0.205 0.000 0.903 12 L HN 0.341 nan 8.230 nan 0.000 0.435 13 M N -1.293 118.260 119.600 -0.078 0.000 2.476 13 M HA -0.125 4.359 4.480 0.006 0.000 0.262 13 M C 1.509 177.777 176.300 -0.053 0.000 1.079 13 M CA 0.943 56.209 55.300 -0.056 0.000 1.104 13 M CB -0.344 32.225 32.600 -0.050 0.000 1.409 13 M HN 0.242 nan 8.290 nan 0.000 0.467 14 D N 0.968 121.333 120.400 -0.058 0.000 2.194 14 D HA -0.034 4.609 4.640 0.006 0.000 0.204 14 D C 0.461 176.731 176.300 -0.049 0.000 0.964 14 D CA 0.905 54.874 54.000 -0.051 0.000 0.846 14 D CB 0.223 40.992 40.800 -0.051 0.000 0.962 14 D HN 0.318 nan 8.370 nan 0.000 0.490 15 K N 1.322 121.687 120.400 -0.058 0.000 2.502 15 K HA 0.133 4.456 4.320 0.006 0.000 0.244 15 K C 1.310 177.884 176.600 -0.043 0.000 1.249 15 K CA -0.340 55.911 56.287 -0.060 0.000 1.193 15 K CB 1.095 33.541 32.500 -0.091 0.000 1.674 15 K HN -0.111 nan 8.250 nan 0.000 0.302 16 V N 0.910 120.806 119.914 -0.030 0.000 2.324 16 V HA -0.330 3.794 4.120 0.006 0.000 0.250 16 V C 2.577 178.676 176.094 0.009 0.000 1.060 16 V CA 2.562 64.852 62.300 -0.017 0.000 1.042 16 V CB -1.026 30.783 31.823 -0.024 0.000 0.650 16 V HN 0.748 nan 8.190 nan 0.000 0.450 17 T N -1.409 113.151 114.554 0.009 0.000 2.918 17 T HA -0.219 4.134 4.350 0.006 0.000 0.271 17 T C 1.111 175.870 174.700 0.098 0.000 1.104 17 T CA 1.960 64.084 62.100 0.039 0.000 1.114 17 T CB -0.533 68.350 68.868 0.025 0.000 0.855 17 T HN 0.513 nan 8.240 nan 0.000 0.518 18 N N 0.311 119.049 118.700 0.062 0.000 2.328 18 N HA 0.388 5.132 4.740 0.006 0.000 0.247 18 N C -1.022 174.619 175.510 0.218 0.000 1.165 18 N CA -0.191 52.936 53.050 0.129 0.000 0.873 18 N CB 1.091 39.402 38.487 -0.293 0.000 1.125 18 N HN 0.287 nan 8.380 nan 0.000 0.513 19 V N 0.639 120.639 119.914 0.143 0.000 2.769 19 V HA 0.541 4.665 4.120 0.006 0.000 0.312 19 V C -0.146 176.000 176.094 0.086 0.000 1.058 19 V CA -0.830 61.531 62.300 0.102 0.000 0.952 19 V CB 2.206 34.050 31.823 0.034 0.000 1.019 19 V HN 0.073 nan 8.190 nan 0.000 0.445 20 R N 2.748 123.286 120.500 0.063 0.000 2.507 20 R HA 0.386 4.730 4.340 0.006 0.000 0.298 20 R C -1.250 175.064 176.300 0.023 0.000 1.087 20 R CA -0.543 55.576 56.100 0.032 0.000 0.917 20 R CB 1.316 31.623 30.300 0.012 0.000 1.173 20 R HN 0.609 nan 8.270 nan 0.000 0.472 21 N N 4.423 123.130 118.700 0.011 0.000 2.469 21 N HA 0.276 5.019 4.740 0.006 0.000 0.239 21 N C -0.082 175.440 175.510 0.021 0.000 1.053 21 N CA -0.272 52.784 53.050 0.011 0.000 0.937 21 N CB 1.129 39.605 38.487 -0.018 0.000 1.163 21 N HN 0.417 nan 8.380 nan 0.000 0.509 22 M N -0.819 118.798 119.600 0.028 0.000 2.667 22 M HA 0.671 5.154 4.480 0.006 0.000 0.286 22 M C -0.138 176.179 176.300 0.028 0.000 1.270 22 M CA -1.000 54.314 55.300 0.023 0.000 0.826 22 M CB 1.458 34.062 32.600 0.007 0.000 1.743 22 M HN 0.176 nan 8.290 nan 0.000 0.460 23 S N -0.470 115.240 115.700 0.018 0.000 2.671 23 S HA 0.942 5.416 4.470 0.006 0.000 0.299 23 S C -1.086 173.511 174.600 -0.005 0.000 1.116 23 S CA -0.900 57.309 58.200 0.015 0.000 0.912 23 S CB 1.775 64.989 63.200 0.023 0.000 1.130 23 S HN 0.768 nan 8.310 nan 0.000 0.501 24 V N 1.828 121.735 119.914 -0.011 0.000 2.304 24 V HA 0.373 4.496 4.120 0.006 0.000 0.278 24 V C -0.584 175.497 176.094 -0.023 0.000 1.018 24 V CA -0.539 61.748 62.300 -0.022 0.000 0.814 24 V CB 0.713 32.521 31.823 -0.025 0.000 1.021 24 V HN 0.798 nan 8.190 nan 0.000 0.440 25 I N 5.060 125.613 120.570 -0.029 0.000 2.329 25 I HA 0.573 4.747 4.170 0.006 0.000 0.295 25 I C 0.537 176.643 176.117 -0.018 0.000 1.109 25 I CA 0.396 61.679 61.300 -0.028 0.000 1.297 25 I CB 0.384 38.359 38.000 -0.041 0.000 1.433 25 I HN 0.686 nan 8.210 nan 0.000 0.509 26 A N 4.746 127.560 122.820 -0.009 0.000 2.566 26 A HA 0.437 4.760 4.320 0.006 0.000 0.297 26 A C -0.980 176.608 177.584 0.007 0.000 1.059 26 A CA -0.668 51.382 52.037 0.021 0.000 0.691 26 A CB 0.938 19.955 19.000 0.029 0.000 1.282 26 A HN 0.714 nan 8.150 nan 0.000 0.401 27 H N 0.920 119.926 119.070 -0.105 0.000 2.790 27 H HA 0.278 4.838 4.556 0.008 0.000 0.358 27 H C 1.539 176.787 175.328 -0.134 0.000 1.103 27 H CA 1.062 56.985 56.048 -0.208 0.000 1.426 27 H CB 1.158 30.620 29.762 -0.500 0.000 1.424 27 H HN 0.685 nan 8.280 nan 0.000 0.599 28 V N 0.704 120.393 119.914 -0.375 0.000 2.407 28 V HA -0.185 3.938 4.120 0.006 0.000 0.248 28 V C 1.150 177.262 176.094 0.029 0.000 1.055 28 V CA 1.947 64.163 62.300 -0.140 0.000 1.049 28 V CB -0.228 31.499 31.823 -0.160 0.000 0.662 28 V HN 0.739 nan 8.190 nan 0.000 0.455 29 D N -0.379 120.141 120.400 0.199 0.000 2.323 29 D HA 0.052 4.695 4.640 0.006 0.000 0.239 29 D C 0.832 177.316 176.300 0.307 0.000 1.129 29 D CA 0.630 54.775 54.000 0.242 0.000 0.865 29 D CB -0.450 40.510 40.800 0.265 0.000 0.913 29 D HN 0.723 nan 8.370 nan 0.000 0.517 30 H N -1.089 118.053 119.070 0.119 0.000 2.492 30 H HA 0.277 4.836 4.556 0.006 0.000 0.264 30 H C 1.081 176.411 175.328 0.002 0.000 1.150 30 H CA -0.379 55.694 56.048 0.042 0.000 0.962 30 H CB 0.812 30.597 29.762 0.038 0.000 1.766 30 H HN 0.080 nan 8.280 nan 0.000 0.589 31 G N 2.312 111.181 108.800 0.115 0.000 2.203 31 G HA2 -0.428 3.536 3.960 0.006 0.000 0.263 31 G HA3 -0.428 3.536 3.960 0.006 0.000 0.263 31 G C 1.290 176.202 174.900 0.020 0.000 1.012 31 G CA 1.070 46.194 45.100 0.041 0.000 0.749 31 G HN 0.539 nan 8.290 nan 0.000 0.512 32 K N 0.710 121.131 120.400 0.034 0.000 2.059 32 K HA -0.230 4.093 4.320 0.006 0.000 0.212 32 K C 2.860 179.455 176.600 -0.009 0.000 1.050 32 K CA 2.495 58.785 56.287 0.006 0.000 0.927 32 K CB -0.392 32.107 32.500 -0.002 0.000 0.714 32 K HN 0.727 nan 8.250 nan 0.000 0.447 33 S N -0.031 115.665 115.700 -0.006 0.000 2.348 33 S HA -0.149 4.325 4.470 0.006 0.000 0.221 33 S C 2.066 176.660 174.600 -0.009 0.000 1.033 33 S CA 1.845 60.038 58.200 -0.011 0.000 1.010 33 S CB -1.037 62.158 63.200 -0.008 0.000 0.891 33 S HN 0.390 nan 8.310 nan 0.000 0.442 34 T N 2.892 117.444 114.554 -0.004 0.000 2.746 34 T HA 0.068 4.422 4.350 0.006 0.000 0.267 34 T C 1.786 176.476 174.700 -0.016 0.000 1.039 34 T CA 1.448 63.545 62.100 -0.005 0.000 1.142 34 T CB -0.559 68.307 68.868 -0.003 0.000 0.866 34 T HN 0.245 nan 8.240 nan 0.000 0.444 35 L N 1.036 122.241 121.223 -0.030 0.000 2.027 35 L HA -0.123 4.221 4.340 0.006 0.000 0.206 35 L C 3.068 179.920 176.870 -0.030 0.000 1.074 35 L CA 1.623 56.437 54.840 -0.043 0.000 0.745 35 L CB -1.033 40.988 42.059 -0.064 0.000 0.898 35 L HN 0.437 nan 8.230 nan 0.000 0.433 36 T N -3.122 111.417 114.554 -0.025 0.000 2.699 36 T HA -0.233 4.121 4.350 0.006 0.000 0.268 36 T C 1.479 176.173 174.700 -0.010 0.000 1.036 36 T CA 1.472 63.561 62.100 -0.019 0.000 1.147 36 T CB -0.500 68.356 68.868 -0.020 0.000 0.862 36 T HN 0.269 nan 8.240 nan 0.000 0.446 37 D N 1.156 121.551 120.400 -0.008 0.000 2.092 37 D HA -0.121 4.523 4.640 0.006 0.000 0.193 37 D C 2.436 178.740 176.300 0.007 0.000 0.994 37 D CA 1.623 55.623 54.000 -0.000 0.000 0.828 37 D CB -0.686 40.115 40.800 0.003 0.000 0.963 37 D HN 0.420 nan 8.370 nan 0.000 0.450 38 S N -0.101 115.602 115.700 0.006 0.000 2.389 38 S HA -0.198 4.275 4.470 0.006 0.000 0.231 38 S C 2.080 176.689 174.600 0.014 0.000 1.052 38 S CA 1.021 59.229 58.200 0.012 0.000 1.053 38 S CB -0.232 62.971 63.200 0.005 0.000 0.886 38 S HN 0.093 nan 8.310 nan 0.000 0.456 39 L N 0.844 122.071 121.223 0.007 0.000 2.141 39 L HA -0.003 4.341 4.340 0.006 0.000 0.209 39 L C 2.420 179.307 176.870 0.028 0.000 1.094 39 L CA 0.920 55.768 54.840 0.013 0.000 0.763 39 L CB -0.704 41.358 42.059 0.005 0.000 0.908 39 L HN 0.183 nan 8.230 nan 0.000 0.437 40 V N -1.028 118.900 119.914 0.024 0.000 2.307 40 V HA -0.282 3.841 4.120 0.006 0.000 0.245 40 V C 2.297 178.413 176.094 0.036 0.000 1.045 40 V CA 1.519 63.838 62.300 0.032 0.000 1.024 40 V CB -0.619 31.216 31.823 0.020 0.000 0.651 40 V HN 0.469 nan 8.190 nan 0.000 0.449 41 Q N -0.794 119.024 119.800 0.030 0.000 2.500 41 Q HA -0.146 4.197 4.340 0.006 0.000 0.213 41 Q C 2.173 178.195 176.000 0.037 0.000 0.974 41 Q CA 0.985 56.808 55.803 0.032 0.000 0.918 41 Q CB 0.039 28.796 28.738 0.031 0.000 0.980 41 Q HN 0.494 nan 8.270 nan 0.000 0.505 42 R N -0.439 120.085 120.500 0.040 0.000 2.107 42 R HA 0.209 4.552 4.340 0.006 0.000 0.195 42 R C 0.834 177.171 176.300 0.061 0.000 1.214 42 R CA 1.225 57.352 56.100 0.045 0.000 1.129 42 R CB -0.220 30.102 30.300 0.038 0.000 1.045 42 R HN -0.007 nan 8.270 nan 0.000 0.489 43 A N 0.276 123.137 122.820 0.070 0.000 2.535 43 A HA 0.465 4.788 4.320 0.006 0.000 0.273 43 A C 0.511 178.174 177.584 0.133 0.000 1.267 43 A CA -0.051 52.053 52.037 0.112 0.000 0.940 43 A CB -0.157 18.900 19.000 0.096 0.000 1.101 43 A HN 0.374 nan 8.150 nan 0.000 0.521 44 G N 0.457 109.313 108.800 0.094 0.000 2.313 44 G HA2 0.407 4.371 3.960 0.006 0.000 0.250 44 G HA3 0.407 4.371 3.960 0.006 0.000 0.250 44 G C -0.072 174.893 174.900 0.108 0.000 1.281 44 G CA -0.036 45.120 45.100 0.093 0.000 0.917 44 G HN 0.381 nan 8.290 nan 0.000 0.501 45 I N 1.800 122.458 120.570 0.146 0.000 2.428 45 I HA 0.285 4.459 4.170 0.006 0.000 0.289 45 I C -0.147 176.044 176.117 0.123 0.000 1.019 45 I CA -0.440 60.961 61.300 0.169 0.000 1.351 45 I CB 1.414 39.581 38.000 0.279 0.000 1.412 45 I HN 0.223 nan 8.210 nan 0.000 0.513 46 I N 4.871 125.480 120.570 0.065 0.000 2.689 46 I HA 0.285 4.459 4.170 0.006 0.000 0.299 46 I C 0.083 176.231 176.117 0.052 0.000 1.059 46 I CA -0.126 61.214 61.300 0.067 0.000 1.055 46 I CB 2.230 40.244 38.000 0.023 0.000 1.243 46 I HN 0.623 nan 8.210 nan 0.000 0.425 47 S N 5.152 120.892 115.700 0.067 0.000 2.601 47 S HA 0.839 5.312 4.470 0.006 0.000 0.271 47 S C 0.155 174.757 174.600 0.003 0.000 1.305 47 S CA -0.467 57.766 58.200 0.055 0.000 1.022 47 S CB 1.235 64.469 63.200 0.057 0.000 0.940 47 S HN 0.847 nan 8.310 nan 0.000 0.525 68 I N 3.327 123.950 120.570 0.088 0.000 2.307 68 I HA 0.345 4.519 4.170 0.006 0.000 0.289 68 I C 0.697 176.888 176.117 0.122 0.000 1.021 68 I CA -0.541 60.816 61.300 0.094 0.000 1.224 68 I CB 1.360 39.448 38.000 0.147 0.000 1.376 68 I HN 0.168 nan 8.210 nan 0.000 0.470 69 T N 5.119 119.716 114.554 0.070 0.000 2.928 69 T HA 0.814 5.168 4.350 0.006 0.000 0.284 69 T C -0.215 174.441 174.700 -0.073 0.000 1.008 69 T CA -0.663 61.473 62.100 0.060 0.000 1.057 69 T CB 2.037 70.941 68.868 0.061 0.000 1.018 69 T HN 0.525 nan 8.240 nan 0.000 0.493 70 I N -1.965 118.542 120.570 -0.106 0.000 3.145 70 I HA 0.624 4.797 4.170 0.006 0.000 0.313 70 I C -0.503 175.513 176.117 -0.168 0.000 1.122 70 I CA -1.695 59.510 61.300 -0.159 0.000 0.987 70 I CB 2.232 40.172 38.000 -0.099 0.000 1.236 70 I HN 0.638 nan 8.210 nan 0.000 0.453 71 K N 2.269 122.570 120.400 -0.164 0.000 2.349 71 K HA 0.174 4.498 4.320 0.006 0.000 0.288 71 K C 0.010 176.507 176.600 -0.171 0.000 1.058 71 K CA -0.073 56.122 56.287 -0.152 0.000 0.953 71 K CB 0.913 33.339 32.500 -0.124 0.000 0.997 71 K HN 0.730 nan 8.250 nan 0.000 0.477 72 S N 3.321 118.911 115.700 -0.183 0.000 2.555 72 S HA -0.010 4.463 4.470 0.006 0.000 0.293 72 S C 0.406 174.872 174.600 -0.223 0.000 1.248 72 S CA 0.028 58.112 58.200 -0.194 0.000 1.096 72 S CB 0.201 63.293 63.200 -0.179 0.000 0.881 72 S HN 0.727 nan 8.310 nan 0.000 0.498 73 T N 3.997 118.368 114.554 -0.305 0.000 2.959 73 T HA 0.548 4.902 4.350 0.006 0.000 0.254 73 T C 0.179 174.609 174.700 -0.450 0.000 1.003 73 T CA 0.410 62.215 62.100 -0.493 0.000 0.950 73 T CB 0.518 68.828 68.868 -0.930 0.000 1.090 73 T HN 0.805 nan 8.240 nan 0.000 0.503 74 A N 0.853 123.527 122.820 -0.245 0.000 2.608 74 A HA 0.779 5.102 4.320 0.006 0.000 0.292 74 A C -2.011 175.571 177.584 -0.005 0.000 1.066 74 A CA -0.759 51.243 52.037 -0.058 0.000 0.676 74 A CB 1.007 20.087 19.000 0.135 0.000 1.277 74 A HN 0.250 nan 8.150 nan 0.000 0.413 75 I N 1.412 122.001 120.570 0.031 0.000 2.545 75 I HA 0.412 4.586 4.170 0.006 0.000 0.292 75 I C 0.225 176.387 176.117 0.074 0.000 1.040 75 I CA -0.676 60.648 61.300 0.040 0.000 1.068 75 I CB 2.515 40.528 38.000 0.021 0.000 1.251 75 I HN 0.698 nan 8.210 nan 0.000 0.424 76 S N 6.424 122.180 115.700 0.094 0.000 2.475 76 S HA 0.721 5.195 4.470 0.006 0.000 0.281 76 S C -0.775 173.909 174.600 0.140 0.000 1.198 76 S CA -0.686 57.586 58.200 0.120 0.000 1.063 76 S CB 1.299 64.580 63.200 0.135 0.000 0.972 76 S HN 0.342 nan 8.310 nan 0.000 0.486 77 L N 3.414 124.725 121.223 0.146 0.000 2.356 77 L HA 0.475 4.819 4.340 0.006 0.000 0.277 77 L C -0.798 176.210 176.870 0.229 0.000 0.996 77 L CA -0.668 54.270 54.840 0.163 0.000 0.822 77 L CB 1.403 43.520 42.059 0.097 0.000 1.256 77 L HN 0.844 nan 8.230 nan 0.000 0.413 78 Y N 2.607 123.003 120.300 0.160 0.000 2.361 78 Y HA 0.723 5.277 4.550 0.006 0.000 0.332 78 Y C -0.159 175.839 175.900 0.162 0.000 1.101 78 Y CA -0.272 57.942 58.100 0.191 0.000 1.137 78 Y CB 1.800 40.464 38.460 0.339 0.000 1.207 78 Y HN 0.576 nan 8.280 nan 0.000 0.463 79 S N 4.795 120.073 115.700 -0.702 0.000 2.566 79 S HA 0.341 4.815 4.470 0.006 0.000 0.273 79 S C -1.709 172.563 174.600 -0.546 0.000 1.157 79 S CA -0.763 57.146 58.200 -0.486 0.000 0.938 79 S CB 0.994 64.103 63.200 -0.152 0.000 1.087 79 S HN 0.838 nan 8.310 nan 0.000 0.474 80 E N 3.954 123.943 120.200 -0.353 0.000 2.207 80 E HA 0.634 4.988 4.350 0.006 0.000 0.270 80 E C -0.948 175.665 176.600 0.022 0.000 0.927 80 E CA -0.631 55.700 56.400 -0.115 0.000 0.799 80 E CB 1.165 30.861 29.700 -0.006 0.000 1.172 80 E HN 0.642 nan 8.360 nan 0.000 0.404 81 M N 1.125 120.785 119.600 0.100 0.000 2.619 81 M HA 0.334 4.817 4.480 0.006 0.000 0.297 81 M C -0.432 175.911 176.300 0.071 0.000 1.229 81 M CA -0.976 54.373 55.300 0.082 0.000 0.860 81 M CB 2.142 34.802 32.600 0.101 0.000 1.741 81 M HN 0.353 nan 8.290 nan 0.000 0.462 82 S N 1.275 117.001 115.700 0.044 0.000 2.562 82 S HA 0.013 4.486 4.470 0.006 0.000 0.281 82 S C 0.707 175.331 174.600 0.041 0.000 1.333 82 S CA -0.457 57.764 58.200 0.036 0.000 1.052 82 S CB 0.423 63.637 63.200 0.023 0.000 0.884 82 S HN 0.582 nan 8.310 nan 0.000 0.506 83 D N 1.863 122.283 120.400 0.034 0.000 2.239 83 D HA -0.143 4.501 4.640 0.006 0.000 0.202 83 D C 1.467 177.784 176.300 0.028 0.000 0.993 83 D CA 1.137 55.156 54.000 0.031 0.000 0.874 83 D CB 0.124 40.937 40.800 0.022 0.000 0.922 83 D HN 0.535 nan 8.370 nan 0.000 0.464 84 E N 0.925 121.139 120.200 0.023 0.000 2.107 84 E HA -0.104 4.250 4.350 0.006 0.000 0.191 84 E C 1.692 178.300 176.600 0.014 0.000 0.982 84 E CA 0.585 56.995 56.400 0.017 0.000 0.809 84 E CB -0.226 29.483 29.700 0.014 0.000 0.756 84 E HN 0.433 nan 8.360 nan 0.000 0.459 85 D N 0.795 121.203 120.400 0.015 0.000 2.097 85 D HA -0.105 4.539 4.640 0.006 0.000 0.197 85 D C 2.074 178.378 176.300 0.007 0.000 0.984 85 D CA 0.914 54.914 54.000 -0.000 0.000 0.826 85 D CB -0.202 40.596 40.800 -0.004 0.000 0.973 85 D HN 0.018 nan 8.370 nan 0.000 0.460 86 V N 1.382 121.329 119.914 0.055 0.000 2.794 86 V HA -0.230 3.893 4.120 0.006 0.000 0.260 86 V C 2.161 178.287 176.094 0.052 0.000 1.103 86 V CA 1.442 63.801 62.300 0.099 0.000 1.125 86 V CB -0.606 31.296 31.823 0.131 0.000 0.702 86 V HN 0.194 nan 8.190 nan 0.000 0.494 87 K N -0.129 120.286 120.400 0.026 0.000 2.243 87 K HA -0.025 4.298 4.320 0.006 0.000 0.201 87 K C 1.905 178.505 176.600 -0.001 0.000 1.051 87 K CA 0.697 56.993 56.287 0.015 0.000 0.970 87 K CB -0.027 32.480 32.500 0.013 0.000 0.755 87 K HN 0.543 nan 8.250 nan 0.000 0.465 88 E N 0.860 121.050 120.200 -0.017 0.000 2.478 88 E HA -0.036 4.317 4.350 0.006 0.000 0.198 88 E C 0.009 176.569 176.600 -0.066 0.000 1.046 88 E CA 0.276 56.653 56.400 -0.038 0.000 0.870 88 E CB -0.000 29.668 29.700 -0.053 0.000 0.818 88 E HN 0.272 nan 8.360 nan 0.000 0.527 89 I N 2.272 122.806 120.570 -0.059 0.000 2.347 89 I HA -0.000 4.174 4.170 0.006 0.000 0.294 89 I C 0.404 176.507 176.117 -0.023 0.000 1.090 89 I CA 0.138 61.395 61.300 -0.071 0.000 1.314 89 I CB 0.497 38.467 38.000 -0.049 0.000 1.423 89 I HN -0.231 nan 8.210 nan 0.000 0.503 90 K N 7.826 128.214 120.400 -0.020 0.000 3.000 90 K HA 0.075 4.398 4.320 0.006 0.000 0.265 90 K C -0.295 176.318 176.600 0.022 0.000 1.260 90 K CA -0.056 56.237 56.287 0.010 0.000 1.209 90 K CB -0.271 32.243 32.500 0.023 0.000 1.484 90 K HN 0.625 nan 8.250 nan 0.000 0.283 91 Q N -0.770 119.044 119.800 0.023 0.000 2.541 91 Q HA 0.170 4.514 4.340 0.006 0.000 0.259 91 Q C -1.373 174.652 176.000 0.042 0.000 0.974 91 Q CA -1.217 54.608 55.803 0.037 0.000 0.955 91 Q CB 0.724 29.488 28.738 0.044 0.000 1.517 91 Q HN -0.102 nan 8.270 nan 0.000 0.412 92 K N 1.852 122.277 120.400 0.041 0.000 2.543 92 K HA 0.102 4.426 4.320 0.006 0.000 0.279 92 K C -0.656 175.977 176.600 0.055 0.000 1.001 92 K CA 1.738 58.049 56.287 0.039 0.000 1.088 92 K CB 0.255 32.772 32.500 0.029 0.000 0.863 92 K HN 0.822 nan 8.250 nan 0.000 0.488 93 T N 0.369 114.957 114.554 0.057 0.000 2.778 93 T HA 0.566 4.920 4.350 0.006 0.000 0.293 93 T C -1.378 173.331 174.700 0.016 0.000 1.144 93 T CA -0.869 61.275 62.100 0.074 0.000 1.010 93 T CB 1.656 70.625 68.868 0.169 0.000 1.325 93 T HN 0.502 nan 8.240 nan 0.000 0.515 94 D N -1.042 119.336 120.400 -0.037 0.000 2.333 94 D HA 0.510 5.153 4.640 0.006 0.000 0.225 94 D C 0.007 176.223 176.300 -0.141 0.000 1.345 94 D CA 1.088 55.047 54.000 -0.068 0.000 0.971 94 D CB 0.582 41.349 40.800 -0.055 0.000 1.451 94 D HN 1.358 nan 8.370 nan 0.000 0.561 95 G N 2.709 111.434 108.800 -0.124 0.000 2.612 95 G HA2 -0.157 3.806 3.960 0.006 0.000 0.686 95 G HA3 -0.157 3.806 3.960 0.006 0.000 0.686 95 G C 0.143 174.899 174.900 -0.240 0.000 1.274 95 G CA -0.494 44.510 45.100 -0.160 0.000 0.849 95 G HN 0.432 nan 8.290 nan 0.000 0.595 96 N N -0.359 118.232 118.700 -0.181 0.000 2.280 96 N HA 0.125 4.869 4.740 0.006 0.000 0.192 96 N C 0.630 175.987 175.510 -0.256 0.000 1.109 96 N CA 0.566 53.537 53.050 -0.132 0.000 0.855 96 N CB 0.627 39.112 38.487 -0.003 0.000 0.974 96 N HN 0.435 nan 8.380 nan 0.000 0.482 97 S N 0.517 115.985 115.700 -0.387 0.000 2.585 97 S HA 0.538 5.012 4.470 0.006 0.000 0.277 97 S C -0.663 173.511 174.600 -0.711 0.000 1.241 97 S CA -0.247 57.782 58.200 -0.284 0.000 1.041 97 S CB 0.672 63.922 63.200 0.083 0.000 0.987 97 S HN 0.030 nan 8.310 nan 0.000 0.512 98 F N 1.793 121.675 119.950 -0.113 0.000 2.573 98 F HA 0.445 4.977 4.527 0.007 0.000 0.316 98 F C -0.593 175.199 175.800 -0.014 0.000 1.148 98 F CA -0.888 57.068 58.000 -0.073 0.000 0.940 98 F CB 1.339 40.271 39.000 -0.114 0.000 1.214 98 F HN 0.308 nan 8.300 nan 0.000 0.448 99 L N 5.261 126.603 121.223 0.198 0.000 2.272 99 L HA 0.654 4.997 4.340 0.006 0.000 0.289 99 L C -0.979 175.969 176.870 0.130 0.000 1.032 99 L CA -0.263 54.673 54.840 0.160 0.000 0.810 99 L CB 0.525 42.639 42.059 0.091 0.000 1.205 99 L HN 0.492 nan 8.230 nan 0.000 0.422 100 I N 4.870 125.510 120.570 0.118 0.000 2.362 100 I HA 0.318 4.492 4.170 0.006 0.000 0.289 100 I C -0.531 175.631 176.117 0.075 0.000 0.994 100 I CA -0.489 60.858 61.300 0.078 0.000 1.158 100 I CB 1.279 39.313 38.000 0.056 0.000 1.315 100 I HN 0.613 nan 8.210 nan 0.000 0.451 101 N N 6.254 124.991 118.700 0.062 0.000 2.500 101 N HA 0.277 5.020 4.740 0.006 0.000 0.236 101 N C -0.754 174.796 175.510 0.067 0.000 1.022 101 N CA -0.494 52.599 53.050 0.072 0.000 0.935 101 N CB 0.976 39.504 38.487 0.067 0.000 1.147 101 N HN 0.377 nan 8.380 nan 0.000 0.512 102 L N 4.556 125.816 121.223 0.062 0.000 2.334 102 L HA 0.391 4.734 4.340 0.006 0.000 0.286 102 L C -0.738 176.162 176.870 0.051 0.000 1.108 102 L CA -0.116 54.749 54.840 0.043 0.000 0.875 102 L CB -0.329 41.745 42.059 0.026 0.000 1.246 102 L HN 0.493 nan 8.230 nan 0.000 0.439 103 I N 4.056 124.667 120.570 0.069 0.000 2.379 103 I HA 0.088 4.261 4.170 0.006 0.000 0.290 103 I C 0.487 176.619 176.117 0.025 0.000 1.063 103 I CA -0.494 60.859 61.300 0.089 0.000 1.351 103 I CB 0.676 38.775 38.000 0.166 0.000 1.410 103 I HN 0.554 nan 8.210 nan 0.000 0.505 104 D N 4.990 125.369 120.400 -0.034 0.000 2.419 104 D HA 0.094 4.738 4.640 0.006 0.000 0.236 104 D C -0.465 175.811 176.300 -0.040 0.000 1.165 104 D CA 0.676 54.639 54.000 -0.061 0.000 0.882 104 D CB 0.796 41.524 40.800 -0.120 0.000 1.201 104 D HN 0.460 nan 8.370 nan 0.000 0.443 105 S N 1.518 117.193 115.700 -0.041 0.000 2.709 105 S HA 0.668 5.142 4.470 0.006 0.000 0.302 105 S C -2.445 172.126 174.600 -0.047 0.000 1.127 105 S CA -1.162 57.025 58.200 -0.022 0.000 0.905 105 S CB 1.646 64.843 63.200 -0.004 0.000 1.151 105 S HN 0.409 nan 8.310 nan 0.000 0.510 106 P HA 0.323 nan 4.420 nan 0.000 0.274 106 P C 0.673 177.986 177.300 0.022 0.000 1.256 106 P CA -0.336 62.738 63.100 -0.043 0.000 0.795 106 P CB 0.279 32.062 31.700 0.138 0.000 1.038 107 G N -1.467 107.373 108.800 0.067 0.000 2.490 107 G HA2 -0.036 3.928 3.960 0.006 0.000 0.211 107 G HA3 -0.036 3.928 3.960 0.006 0.000 0.211 107 G C 0.451 175.437 174.900 0.144 0.000 1.159 107 G CA 0.895 46.048 45.100 0.087 0.000 0.819 107 G HN 0.506 nan 8.290 nan 0.000 0.539 108 H N -1.930 117.309 119.070 0.282 0.000 2.994 108 H HA 0.562 5.121 4.556 0.006 0.000 0.276 108 H C 1.112 176.525 175.328 0.142 0.000 1.575 108 H CA -0.297 55.809 56.048 0.096 0.000 1.583 108 H CB 1.867 31.613 29.762 -0.027 0.000 1.735 108 H HN -0.174 nan 8.280 nan 0.000 0.901 109 V N -0.100 119.829 119.914 0.025 0.000 3.379 109 V HA -0.050 4.073 4.120 0.006 0.000 0.249 109 V C 1.231 177.387 176.094 0.104 0.000 1.184 109 V CA 0.709 63.084 62.300 0.125 0.000 1.106 109 V CB -0.034 31.839 31.823 0.083 0.000 0.826 109 V HN 0.703 nan 8.190 nan 0.000 0.465 110 D N 1.325 121.724 120.400 -0.002 0.000 2.254 110 D HA -0.207 4.437 4.640 0.006 0.000 0.201 110 D C 1.418 177.556 176.300 -0.270 0.000 0.998 110 D CA 1.483 55.349 54.000 -0.224 0.000 0.885 110 D CB -0.311 40.263 40.800 -0.377 0.000 0.915 110 D HN 0.480 nan 8.370 nan 0.000 0.460 111 F N 1.527 121.515 119.950 0.064 0.000 2.738 111 F HA -0.019 4.512 4.527 0.006 0.000 0.301 111 F C 1.964 177.793 175.800 0.048 0.000 1.269 111 F CA -0.158 57.869 58.000 0.046 0.000 1.441 111 F CB -0.951 38.087 39.000 0.063 0.000 1.101 111 F HN -0.195 nan 8.300 nan 0.000 0.545 112 S N 0.230 115.976 115.700 0.077 0.000 2.469 112 S HA -0.416 4.058 4.470 0.006 0.000 0.309 112 S C 2.287 176.999 174.600 0.188 0.000 1.209 112 S CA 2.324 60.521 58.200 -0.005 0.000 1.281 112 S CB -1.157 61.727 63.200 -0.526 0.000 1.265 112 S HN 0.557 nan 8.310 nan 0.000 0.452 113 S N 2.195 117.948 115.700 0.088 0.000 2.372 113 S HA -0.259 4.215 4.470 0.006 0.000 0.227 113 S C 1.898 176.599 174.600 0.168 0.000 1.044 113 S CA 1.805 60.081 58.200 0.127 0.000 1.050 113 S CB -0.630 62.625 63.200 0.091 0.000 0.901 113 S HN 0.900 nan 8.310 nan 0.000 0.447 114 E N 0.891 121.193 120.200 0.170 0.000 2.478 114 E HA 0.070 4.424 4.350 0.006 0.000 0.194 114 E C 1.533 178.228 176.600 0.159 0.000 1.045 114 E CA 0.296 56.782 56.400 0.143 0.000 0.868 114 E CB -0.137 29.616 29.700 0.088 0.000 0.885 114 E HN 0.341 nan 8.360 nan 0.000 0.505 115 V N 1.415 121.459 119.914 0.217 0.000 2.273 115 V HA -0.213 3.910 4.120 0.006 0.000 0.242 115 V C 2.293 178.485 176.094 0.162 0.000 1.035 115 V CA 2.151 64.570 62.300 0.198 0.000 1.013 115 V CB -0.746 31.249 31.823 0.287 0.000 0.652 115 V HN 0.371 nan 8.190 nan 0.000 0.452 116 T N 0.845 115.523 114.554 0.208 0.000 2.685 116 T HA -0.282 4.072 4.350 0.006 0.000 0.268 116 T C 2.023 176.816 174.700 0.156 0.000 1.034 116 T CA 1.841 64.039 62.100 0.162 0.000 1.149 116 T CB -0.547 68.444 68.868 0.206 0.000 0.860 116 T HN 0.570 nan 8.240 nan 0.000 0.449 117 A N 1.600 124.530 122.820 0.183 0.000 1.865 117 A HA 0.050 4.374 4.320 0.006 0.000 0.217 117 A C 2.710 180.420 177.584 0.210 0.000 1.191 117 A CA 2.174 54.340 52.037 0.215 0.000 0.623 117 A CB -1.327 17.789 19.000 0.194 0.000 0.826 117 A HN 0.548 nan 8.150 nan 0.000 0.444 118 A N -0.383 122.537 122.820 0.166 0.000 1.877 118 A HA -0.058 4.265 4.320 0.006 0.000 0.216 118 A C 2.214 179.876 177.584 0.129 0.000 1.186 118 A CA 1.566 53.696 52.037 0.156 0.000 0.620 118 A CB -0.710 18.351 19.000 0.101 0.000 0.822 118 A HN 0.487 nan 8.150 nan 0.000 0.443 119 L N -1.239 120.040 121.223 0.093 0.000 2.012 119 L HA -0.227 4.117 4.340 0.006 0.000 0.210 119 L C 2.776 179.687 176.870 0.069 0.000 1.073 119 L CA 1.949 56.826 54.840 0.061 0.000 0.748 119 L CB -0.537 41.537 42.059 0.026 0.000 0.891 119 L HN 0.444 nan 8.230 nan 0.000 0.431 120 R N 0.281 120.828 120.500 0.079 0.000 2.170 120 R HA -0.164 4.180 4.340 0.006 0.000 0.242 120 R C 1.767 178.111 176.300 0.075 0.000 1.145 120 R CA 1.727 57.850 56.100 0.039 0.000 0.984 120 R CB -0.097 30.213 30.300 0.017 0.000 0.869 120 R HN 0.457 nan 8.270 nan 0.000 0.455 121 V N -2.412 117.580 119.914 0.130 0.000 3.621 121 V HA 0.212 4.336 4.120 0.006 0.000 0.285 121 V C 0.418 176.556 176.094 0.075 0.000 1.346 121 V CA 0.192 62.570 62.300 0.129 0.000 1.104 121 V CB -0.122 31.767 31.823 0.110 0.000 0.913 121 V HN 0.266 nan 8.190 nan 0.000 0.432 122 T N -3.116 111.486 114.554 0.080 0.000 2.925 122 T HA 0.566 4.920 4.350 0.006 0.000 0.285 122 T C 0.063 174.794 174.700 0.052 0.000 1.021 122 T CA -0.235 61.898 62.100 0.054 0.000 1.042 122 T CB 2.290 71.189 68.868 0.052 0.000 1.037 122 T HN 0.166 nan 8.240 nan 0.000 0.481 123 D N 0.917 121.340 120.400 0.039 0.000 2.470 123 D HA 0.238 4.882 4.640 0.006 0.000 0.238 123 D C 1.087 177.421 176.300 0.057 0.000 1.054 123 D CA 0.290 54.318 54.000 0.046 0.000 0.896 123 D CB 0.209 41.023 40.800 0.024 0.000 1.118 123 D HN 0.793 nan 8.370 nan 0.000 0.497 124 G N -0.263 108.558 108.800 0.035 0.000 2.537 124 G HA2 0.653 4.616 3.960 0.006 0.000 0.323 124 G HA3 0.653 4.616 3.960 0.006 0.000 0.323 124 G C -1.276 173.629 174.900 0.007 0.000 1.207 124 G CA -0.534 44.580 45.100 0.023 0.000 0.976 124 G HN 0.149 nan 8.290 nan 0.000 0.487 125 A N 0.330 123.143 122.820 -0.011 0.000 2.466 125 A HA 0.511 4.835 4.320 0.006 0.000 0.284 125 A C -1.206 176.351 177.584 -0.046 0.000 1.049 125 A CA -0.556 51.467 52.037 -0.024 0.000 0.760 125 A CB 1.461 20.446 19.000 -0.025 0.000 1.274 125 A HN 1.247 nan 8.150 nan 0.000 0.412 126 L N 4.145 125.339 121.223 -0.049 0.000 2.385 126 L HA 0.493 4.836 4.340 0.006 0.000 0.285 126 L C -0.590 176.234 176.870 -0.075 0.000 1.125 126 L CA 0.110 54.907 54.840 -0.071 0.000 0.890 126 L CB 0.479 42.498 42.059 -0.067 0.000 1.251 126 L HN 0.410 nan 8.230 nan 0.000 0.445 127 V N 6.238 126.097 119.914 -0.092 0.000 2.432 127 V HA 0.251 4.375 4.120 0.006 0.000 0.271 127 V C 0.226 176.263 176.094 -0.095 0.000 1.046 127 V CA -0.514 61.736 62.300 -0.083 0.000 0.945 127 V CB 1.248 33.018 31.823 -0.088 0.000 0.992 127 V HN 0.475 nan 8.190 nan 0.000 0.471 128 V N 6.529 126.407 119.914 -0.059 0.000 2.407 128 V HA 0.469 4.593 4.120 0.006 0.000 0.278 128 V C 0.094 176.182 176.094 -0.009 0.000 1.037 128 V CA -0.285 61.981 62.300 -0.057 0.000 0.900 128 V CB 1.613 33.420 31.823 -0.027 0.000 0.983 128 V HN 0.610 nan 8.190 nan 0.000 0.459 129 V N 3.411 123.283 119.914 -0.069 0.000 2.960 129 V HA 0.464 4.587 4.120 0.006 0.000 0.315 129 V C -0.618 175.377 176.094 -0.166 0.000 1.087 129 V CA -0.758 61.507 62.300 -0.058 0.000 0.982 129 V CB 2.498 34.278 31.823 -0.072 0.000 1.039 129 V HN 0.935 nan 8.190 nan 0.000 0.437 130 D N 0.657 120.897 120.400 -0.268 0.000 2.175 130 D HA 0.384 5.027 4.640 0.006 0.000 0.248 130 D C 1.009 177.240 176.300 -0.114 0.000 1.047 130 D CA -0.002 53.778 54.000 -0.366 0.000 0.883 130 D CB 2.064 42.431 40.800 -0.721 0.000 1.180 130 D HN 0.574 nan 8.370 nan 0.000 0.438 131 T N 2.413 116.950 114.554 -0.029 0.000 2.674 131 T HA -0.102 4.252 4.350 0.006 0.000 0.265 131 T C 1.898 176.641 174.700 0.072 0.000 1.039 131 T CA 0.930 63.109 62.100 0.131 0.000 1.150 131 T CB -0.178 68.819 68.868 0.216 0.000 0.864 131 T HN 0.403 nan 8.240 nan 0.000 0.427 132 I N 0.912 121.494 120.570 0.019 0.000 2.110 132 I HA -0.114 4.059 4.170 0.006 0.000 0.236 132 I C 2.502 178.622 176.117 0.006 0.000 1.068 132 I CA 1.457 62.766 61.300 0.015 0.000 1.333 132 I CB -0.412 37.594 38.000 0.010 0.000 1.054 132 I HN 0.300 nan 8.210 nan 0.000 0.402 133 E N 0.804 120.993 120.200 -0.018 0.000 2.418 133 E HA 0.074 4.428 4.350 0.006 0.000 0.197 133 E C 1.320 177.924 176.600 0.006 0.000 1.026 133 E CA 0.501 56.901 56.400 0.000 0.000 0.862 133 E CB -0.051 29.664 29.700 0.025 0.000 0.799 133 E HN 0.617 nan 8.360 nan 0.000 0.518 134 G N 1.072 109.867 108.800 -0.009 0.000 2.550 134 G HA2 -0.338 3.625 3.960 0.006 0.000 0.277 134 G HA3 -0.338 3.625 3.960 0.006 0.000 0.277 134 G C 0.014 174.923 174.900 0.015 0.000 1.190 134 G CA -0.105 44.999 45.100 0.008 0.000 0.971 134 G HN 0.147 nan 8.290 nan 0.000 0.559 135 V N 1.537 121.464 119.914 0.022 0.000 2.406 135 V HA 0.446 4.570 4.120 0.006 0.000 0.272 135 V C 1.394 177.509 176.094 0.034 0.000 1.043 135 V CA -0.106 62.212 62.300 0.030 0.000 0.915 135 V CB 0.218 32.045 31.823 0.007 0.000 0.988 135 V HN 1.374 nan 8.190 nan 0.000 0.466 136 C N 4.501 123.830 119.300 0.047 0.000 2.398 136 C HA 0.572 5.036 4.460 0.006 0.000 0.364 136 C C 1.843 176.821 174.990 -0.019 0.000 1.219 136 C CA -0.567 58.447 59.018 -0.006 0.000 2.312 136 C CB 0.603 28.286 27.740 -0.094 0.000 2.428 136 C HN 0.671 nan 8.230 nan 0.000 0.564 137 V N 1.836 121.735 119.914 -0.025 0.000 2.277 137 V HA -0.308 3.816 4.120 0.006 0.000 0.253 137 V C 2.750 178.832 176.094 -0.019 0.000 1.067 137 V CA 2.753 65.043 62.300 -0.018 0.000 1.047 137 V CB -1.392 30.421 31.823 -0.016 0.000 0.649 137 V HN 1.068 nan 8.190 nan 0.000 0.447 138 Q N -0.038 119.750 119.800 -0.019 0.000 1.967 138 Q HA -0.233 4.110 4.340 0.006 0.000 0.202 138 Q C 2.307 178.294 176.000 -0.022 0.000 0.985 138 Q CA 2.616 58.410 55.803 -0.015 0.000 0.839 138 Q CB -0.405 28.336 28.738 0.006 0.000 0.906 138 Q HN 0.629 nan 8.270 nan 0.000 0.423 139 T N 1.040 115.589 114.554 -0.008 0.000 2.778 139 T HA -0.236 4.117 4.350 0.006 0.000 0.269 139 T C 1.523 176.199 174.700 -0.040 0.000 1.050 139 T CA 1.637 63.727 62.100 -0.016 0.000 1.137 139 T CB -0.294 68.583 68.868 0.015 0.000 0.860 139 T HN 0.472 nan 8.240 nan 0.000 0.468 140 E N 0.276 120.456 120.200 -0.033 0.000 2.077 140 E HA -0.164 4.189 4.350 0.006 0.000 0.193 140 E C 2.114 178.663 176.600 -0.086 0.000 0.989 140 E CA 1.483 57.858 56.400 -0.041 0.000 0.800 140 E CB -0.067 29.622 29.700 -0.019 0.000 0.746 140 E HN 0.415 nan 8.360 nan 0.000 0.452 141 T N 0.399 114.895 114.554 -0.096 0.000 2.701 141 T HA -0.119 4.235 4.350 0.006 0.000 0.263 141 T C 1.961 176.505 174.700 -0.261 0.000 1.040 141 T CA 1.360 63.365 62.100 -0.159 0.000 1.147 141 T CB -0.304 68.517 68.868 -0.078 0.000 0.865 141 T HN 0.028 nan 8.240 nan 0.000 0.426 142 V N 1.813 121.600 119.914 -0.212 0.000 2.324 142 V HA -0.172 3.952 4.120 0.006 0.000 0.250 142 V C 2.457 178.421 176.094 -0.217 0.000 1.060 142 V CA 1.519 63.670 62.300 -0.247 0.000 1.042 142 V CB -0.772 30.974 31.823 -0.129 0.000 0.650 142 V HN 0.313 nan 8.190 nan 0.000 0.450 143 L N -0.023 121.108 121.223 -0.152 0.000 2.042 143 L HA -0.177 4.166 4.340 0.006 0.000 0.210 143 L C 2.559 179.338 176.870 -0.151 0.000 1.076 143 L CA 1.948 56.716 54.840 -0.120 0.000 0.749 143 L CB -0.752 41.259 42.059 -0.080 0.000 0.893 143 L HN 0.179 nan 8.230 nan 0.000 0.432 144 R N -1.087 119.279 120.500 -0.223 0.000 2.096 144 R HA -0.209 4.135 4.340 0.006 0.000 0.240 144 R C 2.255 178.388 176.300 -0.278 0.000 1.139 144 R CA 1.845 57.745 56.100 -0.334 0.000 0.952 144 R CB -0.308 29.662 30.300 -0.549 0.000 0.854 144 R HN 0.501 nan 8.270 nan 0.000 0.436 145 Q N -0.279 119.325 119.800 -0.327 0.000 2.061 145 Q HA -0.125 4.219 4.340 0.006 0.000 0.204 145 Q C 2.111 178.007 176.000 -0.173 0.000 0.984 145 Q CA 1.805 57.424 55.803 -0.307 0.000 0.846 145 Q CB -0.466 27.969 28.738 -0.505 0.000 0.902 145 Q HN 0.363 nan 8.270 nan 0.000 0.421 146 A N 0.857 123.589 122.820 -0.146 0.000 1.902 146 A HA -0.134 4.189 4.320 0.006 0.000 0.217 146 A C 2.277 179.833 177.584 -0.047 0.000 1.181 146 A CA 1.154 53.145 52.037 -0.077 0.000 0.623 146 A CB -0.722 18.238 19.000 -0.067 0.000 0.818 146 A HN 0.320 nan 8.150 nan 0.000 0.443 147 L N -0.831 120.358 121.223 -0.056 0.000 2.141 147 L HA -0.099 4.244 4.340 0.006 0.000 0.209 147 L C 2.699 179.566 176.870 -0.005 0.000 1.094 147 L CA 0.937 55.767 54.840 -0.017 0.000 0.763 147 L CB -0.673 41.390 42.059 0.007 0.000 0.908 147 L HN 0.501 nan 8.230 nan 0.000 0.437 148 G N -0.907 107.873 108.800 -0.034 0.000 2.509 148 G HA2 -0.161 3.803 3.960 0.006 0.000 0.218 148 G HA3 -0.161 3.803 3.960 0.006 0.000 0.218 148 G C 1.349 176.249 174.900 -0.000 0.000 1.124 148 G CA 0.230 45.320 45.100 -0.016 0.000 0.776 148 G HN 0.262 nan 8.290 nan 0.000 0.547 149 E N 0.056 120.255 120.200 -0.001 0.000 2.474 149 E HA 0.103 4.456 4.350 0.006 0.000 0.195 149 E C 0.553 177.188 176.600 0.058 0.000 1.039 149 E CA -0.285 56.123 56.400 0.014 0.000 0.881 149 E CB 0.218 29.921 29.700 0.004 0.000 0.970 149 E HN 0.379 nan 8.360 nan 0.000 0.486 150 R N 0.809 121.351 120.500 0.070 0.000 3.418 150 R HA -0.131 4.213 4.340 0.006 0.000 0.274 150 R C -0.195 176.210 176.300 0.176 0.000 1.108 150 R CA 0.340 56.520 56.100 0.134 0.000 0.741 150 R CB -1.897 28.558 30.300 0.259 0.000 1.223 150 R HN 0.104 nan 8.270 nan 0.000 0.434 151 I N 1.312 121.933 120.570 0.085 0.000 2.365 151 I HA 0.142 4.315 4.170 0.006 0.000 0.291 151 I C 0.932 177.075 176.117 0.043 0.000 1.004 151 I CA -0.249 61.094 61.300 0.071 0.000 1.311 151 I CB 1.306 39.322 38.000 0.026 0.000 1.401 151 I HN 0.088 nan 8.210 nan 0.000 0.491 152 K N 8.828 129.261 120.400 0.054 0.000 2.276 152 K HA 0.409 4.733 4.320 0.006 0.000 0.283 152 K C -2.528 174.059 176.600 -0.022 0.000 1.044 152 K CA -1.167 55.126 56.287 0.009 0.000 0.944 152 K CB 1.229 33.748 32.500 0.032 0.000 1.012 152 K HN 0.324 nan 8.250 nan 0.000 0.472 153 P HA 0.270 nan 4.420 nan 0.000 0.285 153 P C -1.262 175.970 177.300 -0.114 0.000 1.280 153 P CA -0.706 62.344 63.100 -0.083 0.000 0.862 153 P CB 1.781 33.423 31.700 -0.097 0.000 1.153 154 V N 1.480 121.319 119.914 -0.125 0.000 2.655 154 V HA 0.199 4.323 4.120 0.006 0.000 0.301 154 V C 0.037 176.020 176.094 -0.185 0.000 1.082 154 V CA -0.634 61.570 62.300 -0.160 0.000 0.899 154 V CB 2.323 34.079 31.823 -0.111 0.000 1.014 154 V HN 0.269 nan 8.190 nan 0.000 0.429 155 V N 5.513 125.279 119.914 -0.247 0.000 2.973 155 V HA 0.695 4.818 4.120 0.006 0.000 0.314 155 V C -0.429 175.455 176.094 -0.349 0.000 1.066 155 V CA -0.551 61.586 62.300 -0.273 0.000 1.021 155 V CB 2.107 33.755 31.823 -0.292 0.000 1.076 155 V HN 0.572 nan 8.190 nan 0.000 0.462 156 V N 3.625 123.335 119.914 -0.339 0.000 2.610 156 V HA 0.396 4.520 4.120 0.006 0.000 0.298 156 V C -0.586 175.288 176.094 -0.366 0.000 1.067 156 V CA -0.260 61.799 62.300 -0.401 0.000 0.894 156 V CB 1.821 33.469 31.823 -0.291 0.000 1.015 156 V HN 0.661 nan 8.190 nan 0.000 0.432 157 I N 4.435 124.720 120.570 -0.475 0.000 2.291 157 I HA 0.302 4.476 4.170 0.006 0.000 0.292 157 I C 0.304 176.267 176.117 -0.257 0.000 1.064 157 I CA 0.065 61.184 61.300 -0.303 0.000 1.269 157 I CB 0.933 38.773 38.000 -0.267 0.000 1.418 157 I HN 0.620 nan 8.210 nan 0.000 0.485 158 N N 5.345 123.918 118.700 -0.213 0.000 2.478 158 N HA 0.279 5.022 4.740 0.006 0.000 0.275 158 N C -0.365 175.037 175.510 -0.180 0.000 1.221 158 N CA -0.400 52.516 53.050 -0.224 0.000 0.979 158 N CB 0.763 39.135 38.487 -0.192 0.000 1.202 158 N HN 0.348 nan 8.380 nan 0.000 0.564 159 K N -0.479 119.800 120.400 -0.203 0.000 3.150 159 K HA -0.136 4.188 4.320 0.006 0.000 0.267 159 K C 0.318 176.886 176.600 -0.054 0.000 1.028 159 K CA 0.168 56.369 56.287 -0.143 0.000 0.753 159 K CB -1.892 30.537 32.500 -0.118 0.000 1.288 159 K HN 0.259 nan 8.250 nan 0.000 0.473 160 V N 0.679 120.562 119.914 -0.052 0.000 2.488 160 V HA -0.234 3.889 4.120 0.006 0.000 0.246 160 V C 2.410 178.629 176.094 0.209 0.000 1.046 160 V CA 2.091 64.487 62.300 0.161 0.000 1.053 160 V CB -0.247 31.745 31.823 0.282 0.000 0.679 160 V HN 0.566 nan 8.190 nan 0.000 0.458 161 D N 1.198 121.721 120.400 0.205 0.000 2.149 161 D HA -0.338 4.306 4.640 0.006 0.000 0.194 161 D C 2.097 178.539 176.300 0.236 0.000 1.001 161 D CA 1.807 56.017 54.000 0.351 0.000 0.849 161 D CB -0.558 40.294 40.800 0.086 0.000 0.939 161 D HN 0.421 nan 8.370 nan 0.000 0.449 162 R N 1.149 121.719 120.500 0.117 0.000 2.139 162 R HA -0.120 4.223 4.340 0.006 0.000 0.243 162 R C 2.339 178.701 176.300 0.102 0.000 1.145 162 R CA 1.566 57.726 56.100 0.099 0.000 0.976 162 R CB -0.248 30.083 30.300 0.053 0.000 0.866 162 R HN 0.254 nan 8.270 nan 0.000 0.449 163 A N 0.828 123.712 122.820 0.106 0.000 1.898 163 A HA -0.069 4.254 4.320 0.006 0.000 0.216 163 A C 2.122 179.748 177.584 0.069 0.000 1.181 163 A CA 1.002 53.090 52.037 0.085 0.000 0.620 163 A CB -0.314 18.741 19.000 0.091 0.000 0.819 163 A HN 0.297 nan 8.150 nan 0.000 0.442 164 L N -1.233 120.031 121.223 0.068 0.000 2.034 164 L HA -0.097 4.247 4.340 0.006 0.000 0.203 164 L C 2.469 179.403 176.870 0.107 0.000 1.074 164 L CA 0.716 55.556 54.840 0.001 0.000 0.748 164 L CB -0.910 41.085 42.059 -0.106 0.000 0.905 164 L HN 0.248 nan 8.230 nan 0.000 0.439 165 L N 0.100 121.441 121.223 0.196 0.000 1.994 165 L HA -0.186 4.158 4.340 0.006 0.000 0.208 165 L C 2.533 179.468 176.870 0.108 0.000 1.071 165 L CA 1.733 56.669 54.840 0.160 0.000 0.745 165 L CB -0.815 41.352 42.059 0.180 0.000 0.892 165 L HN 0.255 nan 8.230 nan 0.000 0.431 166 E N -0.815 119.446 120.200 0.102 0.000 2.011 166 E HA -0.139 4.214 4.350 0.006 0.000 0.191 166 E C 2.111 178.751 176.600 0.067 0.000 0.980 166 E CA 0.717 57.164 56.400 0.078 0.000 0.814 166 E CB -0.080 29.664 29.700 0.073 0.000 0.775 166 E HN 0.188 nan 8.360 nan 0.000 0.454 167 L N 1.021 122.283 121.223 0.065 0.000 2.291 167 L HA -0.061 4.283 4.340 0.006 0.000 0.214 167 L C 0.465 177.373 176.870 0.063 0.000 1.120 167 L CA 0.991 55.865 54.840 0.058 0.000 0.799 167 L CB -0.394 41.697 42.059 0.053 0.000 0.925 167 L HN 0.180 nan 8.230 nan 0.000 0.446 168 Q N -0.433 119.408 119.800 0.069 0.000 2.443 168 Q HA -0.204 4.140 4.340 0.006 0.000 0.337 168 Q C -0.190 175.868 176.000 0.097 0.000 1.401 168 Q CA 0.143 55.992 55.803 0.076 0.000 0.943 168 Q CB -1.560 27.221 28.738 0.073 0.000 1.177 168 Q HN 0.267 nan 8.270 nan 0.000 0.394 169 V N 1.017 120.995 119.914 0.108 0.000 2.834 169 V HA 0.363 4.487 4.120 0.006 0.000 0.301 169 V C 0.821 177.063 176.094 0.246 0.000 1.066 169 V CA 0.481 62.861 62.300 0.132 0.000 1.052 169 V CB 1.850 33.731 31.823 0.098 0.000 1.021 169 V HN 0.586 nan 8.190 nan 0.000 0.480 170 S N 5.163 120.956 115.700 0.155 0.000 2.600 170 S HA 0.266 4.740 4.470 0.006 0.000 0.265 170 S C 0.910 175.513 174.600 0.005 0.000 1.325 170 S CA -0.251 58.004 58.200 0.091 0.000 1.002 170 S CB 0.743 63.946 63.200 0.004 0.000 0.921 170 S HN 0.742 nan 8.310 nan 0.000 0.554 171 K N 0.583 120.772 120.400 -0.351 0.000 2.063 171 K HA -0.174 4.149 4.320 0.006 0.000 0.208 171 K C 2.077 178.582 176.600 -0.158 0.000 1.048 171 K CA 1.806 57.762 56.287 -0.552 0.000 0.928 171 K CB -0.309 31.756 32.500 -0.724 0.000 0.713 171 K HN 0.770 nan 8.250 nan 0.000 0.442 172 E N 1.522 121.652 120.200 -0.116 0.000 2.107 172 E HA -0.159 4.195 4.350 0.006 0.000 0.191 172 E C 1.453 178.077 176.600 0.040 0.000 0.982 172 E CA 1.373 57.757 56.400 -0.026 0.000 0.809 172 E CB -0.035 29.633 29.700 -0.053 0.000 0.756 172 E HN 0.144 nan 8.360 nan 0.000 0.459 173 D N -0.114 120.293 120.400 0.012 0.000 2.144 173 D HA -0.141 4.503 4.640 0.006 0.000 0.199 173 D C 1.896 178.177 176.300 -0.031 0.000 0.984 173 D CA 0.788 54.794 54.000 0.010 0.000 0.834 173 D CB -0.197 40.614 40.800 0.019 0.000 0.955 173 D HN 0.229 nan 8.370 nan 0.000 0.465 174 L N 0.004 121.203 121.223 -0.040 0.000 2.093 174 L HA -0.154 4.189 4.340 0.006 0.000 0.208 174 L C 2.234 178.824 176.870 -0.467 0.000 1.085 174 L CA 1.413 56.116 54.840 -0.229 0.000 0.755 174 L CB -0.749 41.277 42.059 -0.055 0.000 0.904 174 L HN 0.025 nan 8.230 nan 0.000 0.435 175 Y N -0.399 119.759 120.300 -0.237 0.000 2.163 175 Y HA -0.241 4.311 4.550 0.003 0.000 0.288 175 Y C 2.489 178.310 175.900 -0.133 0.000 1.136 175 Y CA 1.810 59.827 58.100 -0.138 0.000 1.147 175 Y CB -0.170 38.240 38.460 -0.082 0.000 0.987 175 Y HN 0.250 nan 8.280 nan 0.000 0.509 176 Q N -0.123 119.639 119.800 -0.064 0.000 2.124 176 Q HA -0.151 4.193 4.340 0.006 0.000 0.202 176 Q C 2.221 178.153 176.000 -0.115 0.000 0.977 176 Q CA 2.053 57.800 55.803 -0.094 0.000 0.850 176 Q CB -0.840 27.910 28.738 0.021 0.000 0.901 176 Q HN 0.518 nan 8.270 nan 0.000 0.429 177 T N 1.102 115.580 114.554 -0.127 0.000 2.674 177 T HA -0.103 4.251 4.350 0.006 0.000 0.265 177 T C 1.551 176.293 174.700 0.070 0.000 1.039 177 T CA 1.139 63.202 62.100 -0.062 0.000 1.150 177 T CB -0.336 68.465 68.868 -0.112 0.000 0.864 177 T HN 0.124 nan 8.240 nan 0.000 0.427 178 F N 1.980 121.973 119.950 0.071 0.000 2.154 178 F HA -0.052 4.479 4.527 0.008 0.000 0.301 178 F C 2.671 178.543 175.800 0.120 0.000 1.087 178 F CA 0.263 58.365 58.000 0.170 0.000 1.274 178 F CB -1.517 37.686 39.000 0.338 0.000 1.009 178 F HN 0.164 nan 8.300 nan 0.000 0.485 179 A N 0.230 123.143 122.820 0.154 0.000 1.877 179 A HA -0.191 4.133 4.320 0.006 0.000 0.216 179 A C 2.430 180.070 177.584 0.094 0.000 1.186 179 A CA 1.607 53.701 52.037 0.095 0.000 0.620 179 A CB -0.637 18.255 19.000 -0.181 0.000 0.822 179 A HN 0.310 nan 8.150 nan 0.000 0.443 180 R N -1.036 119.498 120.500 0.056 0.000 2.073 180 R HA -0.079 4.264 4.340 0.006 0.000 0.234 180 R C 2.358 178.691 176.300 0.056 0.000 1.134 180 R CA 1.776 57.905 56.100 0.048 0.000 0.952 180 R CB -0.937 29.382 30.300 0.033 0.000 0.850 180 R HN 0.521 nan 8.270 nan 0.000 0.433 181 T N 1.069 115.673 114.554 0.083 0.000 2.607 181 T HA -0.146 4.207 4.350 0.006 0.000 0.267 181 T C 2.018 176.736 174.700 0.031 0.000 1.049 181 T CA 1.684 63.825 62.100 0.069 0.000 1.162 181 T CB -0.314 68.629 68.868 0.124 0.000 0.863 181 T HN -0.003 nan 8.240 nan 0.000 0.424 182 V N 1.392 121.332 119.914 0.045 0.000 2.469 182 V HA -0.160 3.964 4.120 0.006 0.000 0.251 182 V C 2.580 178.660 176.094 -0.024 0.000 1.064 182 V CA 1.890 64.174 62.300 -0.027 0.000 1.066 182 V CB -0.627 31.177 31.823 -0.031 0.000 0.667 182 V HN 0.415 nan 8.190 nan 0.000 0.461 183 E N 0.468 120.682 120.200 0.024 0.000 2.072 183 E HA -0.142 4.212 4.350 0.006 0.000 0.191 183 E C 2.353 178.951 176.600 -0.003 0.000 0.985 183 E CA 1.711 58.124 56.400 0.021 0.000 0.801 183 E CB -0.367 29.358 29.700 0.042 0.000 0.750 183 E HN 0.561 nan 8.360 nan 0.000 0.452 184 S N -0.451 115.249 115.700 -0.000 0.000 2.353 184 S HA -0.165 4.309 4.470 0.006 0.000 0.222 184 S C 2.084 176.670 174.600 -0.023 0.000 1.035 184 S CA 1.335 59.532 58.200 -0.006 0.000 1.025 184 S CB -0.579 62.622 63.200 0.002 0.000 0.902 184 S HN 0.172 nan 8.310 nan 0.000 0.440 185 V N 3.359 123.249 119.914 -0.040 0.000 2.250 185 V HA -0.252 3.872 4.120 0.006 0.000 0.250 185 V C 2.121 178.170 176.094 -0.076 0.000 1.060 185 V CA 1.889 64.151 62.300 -0.063 0.000 1.030 185 V CB -0.838 30.925 31.823 -0.101 0.000 0.643 185 V HN 0.464 nan 8.190 nan 0.000 0.445 186 N N -0.133 118.508 118.700 -0.097 0.000 2.364 186 N HA -0.098 4.646 4.740 0.006 0.000 0.183 186 N C 1.688 177.152 175.510 -0.075 0.000 1.022 186 N CA 1.111 54.092 53.050 -0.115 0.000 0.883 186 N CB -0.256 38.140 38.487 -0.151 0.000 0.965 186 N HN 0.399 nan 8.380 nan 0.000 0.438 187 V N 1.494 121.377 119.914 -0.051 0.000 2.407 187 V HA -0.167 3.957 4.120 0.006 0.000 0.248 187 V C 2.226 178.286 176.094 -0.057 0.000 1.055 187 V CA 1.169 63.439 62.300 -0.050 0.000 1.049 187 V CB -0.265 31.538 31.823 -0.032 0.000 0.662 187 V HN 0.206 nan 8.190 nan 0.000 0.455 188 I N -0.702 119.858 120.570 -0.017 0.000 2.162 188 I HA -0.161 4.012 4.170 0.006 0.000 0.238 188 I C 2.389 178.535 176.117 0.047 0.000 1.076 188 I CA 1.075 62.410 61.300 0.060 0.000 1.353 188 I CB -0.446 37.600 38.000 0.076 0.000 1.063 188 I HN 0.109 nan 8.210 nan 0.000 0.408 189 V N 1.234 121.140 119.914 -0.013 0.000 2.231 189 V HA -0.348 3.776 4.120 0.006 0.000 0.250 189 V C 2.702 178.766 176.094 -0.050 0.000 1.058 189 V CA 2.568 64.845 62.300 -0.037 0.000 1.022 189 V CB -1.117 30.646 31.823 -0.101 0.000 0.640 189 V HN 0.636 nan 8.190 nan 0.000 0.445 190 S N -0.745 114.907 115.700 -0.079 0.000 2.383 190 S HA -0.220 4.254 4.470 0.006 0.000 0.227 190 S C 1.906 176.434 174.600 -0.121 0.000 1.026 190 S CA 1.910 60.059 58.200 -0.085 0.000 0.981 190 S CB -0.861 62.294 63.200 -0.075 0.000 0.818 190 S HN 0.580 nan 8.310 nan 0.000 0.472 191 T N 0.513 114.952 114.554 -0.191 0.000 2.833 191 T HA 0.018 4.372 4.350 0.006 0.000 0.269 191 T C 0.816 175.207 174.700 -0.515 0.000 1.054 191 T CA 1.429 63.291 62.100 -0.397 0.000 1.135 191 T CB -0.342 68.168 68.868 -0.596 0.000 0.869 191 T HN 0.630 nan 8.240 nan 0.000 0.466 192 Y N 0.148 120.421 120.300 -0.045 0.000 2.453 192 Y HA 0.616 5.170 4.550 0.006 0.000 0.247 192 Y C 1.112 176.986 175.900 -0.044 0.000 1.124 192 Y CA -1.303 56.771 58.100 -0.042 0.000 1.243 192 Y CB -0.020 38.411 38.460 -0.048 0.000 1.213 192 Y HN 0.071 nan 8.280 nan 0.000 0.523 193 A N 0.664 123.523 122.820 0.065 0.000 2.425 193 A HA 0.157 4.481 4.320 0.006 0.000 0.249 193 A C -0.368 177.217 177.584 0.003 0.000 1.084 193 A CA -0.307 51.740 52.037 0.017 0.000 0.781 193 A CB -0.143 18.840 19.000 -0.028 0.000 1.019 193 A HN 0.297 nan 8.150 nan 0.000 0.490 194 D N 1.130 121.527 120.400 -0.005 0.000 2.425 194 D HA 0.139 4.782 4.640 0.006 0.000 0.247 194 D C 1.117 177.394 176.300 -0.038 0.000 1.147 194 D CA 0.415 54.409 54.000 -0.010 0.000 0.879 194 D CB 0.591 41.388 40.800 -0.005 0.000 1.179 194 D HN 0.606 nan 8.370 nan 0.000 0.456 195 E N 1.686 121.870 120.200 -0.027 0.000 2.097 195 E HA -0.164 4.189 4.350 0.006 0.000 0.196 195 E C 1.732 178.303 176.600 -0.048 0.000 1.000 195 E CA 1.010 57.390 56.400 -0.034 0.000 0.804 195 E CB -0.008 29.679 29.700 -0.020 0.000 0.740 195 E HN 0.351 nan 8.360 nan 0.000 0.454 196 V N 1.415 121.302 119.914 -0.046 0.000 3.440 196 V HA -0.145 3.979 4.120 0.006 0.000 0.274 196 V C 1.567 177.584 176.094 -0.128 0.000 1.207 196 V CA 1.083 63.349 62.300 -0.057 0.000 1.183 196 V CB -0.728 31.081 31.823 -0.023 0.000 0.837 196 V HN 0.259 nan 8.190 nan 0.000 0.532 197 L N -0.357 120.769 121.223 -0.162 0.000 2.609 197 L HA 0.538 4.882 4.340 0.006 0.000 0.230 197 L C 1.298 178.059 176.870 -0.181 0.000 1.087 197 L CA 0.632 55.309 54.840 -0.273 0.000 0.874 197 L CB -0.019 41.869 42.059 -0.285 0.000 1.114 197 L HN 0.514 nan 8.230 nan 0.000 0.488 198 G N 0.917 109.652 108.800 -0.109 0.000 2.728 198 G HA2 -0.279 3.685 3.960 0.006 0.000 0.294 198 G HA3 -0.279 3.685 3.960 0.006 0.000 0.294 198 G C -0.711 174.154 174.900 -0.058 0.000 1.342 198 G CA -0.348 44.711 45.100 -0.068 0.000 0.866 198 G HN 0.236 nan 8.290 nan 0.000 0.534 199 D N -0.651 119.734 120.400 -0.025 0.000 2.389 199 D HA 0.335 4.979 4.640 0.006 0.000 0.263 199 D C 1.317 177.596 176.300 -0.035 0.000 1.255 199 D CA 0.535 54.529 54.000 -0.009 0.000 0.914 199 D CB 0.875 41.709 40.800 0.057 0.000 1.116 199 D HN 0.615 nan 8.370 nan 0.000 0.502 200 V N 3.693 123.559 119.914 -0.080 0.000 3.578 200 V HA 0.061 4.185 4.120 0.006 0.000 0.290 200 V C 1.107 177.090 176.094 -0.186 0.000 1.376 200 V CA -0.080 62.153 62.300 -0.111 0.000 1.083 200 V CB -0.862 30.899 31.823 -0.104 0.000 0.911 200 V HN 0.578 nan 8.190 nan 0.000 0.433 201 Q N 1.023 120.674 119.800 -0.249 0.000 2.428 201 Q HA 0.202 4.545 4.340 0.006 0.000 0.276 201 Q C -0.073 175.508 176.000 -0.698 0.000 1.059 201 Q CA 0.109 55.638 55.803 -0.457 0.000 0.923 201 Q CB 1.323 29.736 28.738 -0.541 0.000 1.283 201 Q HN 0.498 nan 8.270 nan 0.000 0.447 202 V N 0.033 119.558 119.914 -0.647 0.000 2.567 202 V HA 0.428 4.552 4.120 0.006 0.000 0.289 202 V C -1.049 174.606 176.094 -0.732 0.000 1.049 202 V CA -0.653 61.297 62.300 -0.584 0.000 0.969 202 V CB 0.483 32.069 31.823 -0.396 0.000 0.995 202 V HN 0.538 nan 8.190 nan 0.000 0.471 203 Y N 3.309 123.454 120.300 -0.257 0.000 2.331 203 Y HA 0.477 5.029 4.550 0.004 0.000 0.326 203 Y C -2.116 173.565 175.900 -0.365 0.000 1.020 203 Y CA -2.292 55.643 58.100 -0.276 0.000 1.136 203 Y CB 2.209 40.563 38.460 -0.176 0.000 1.157 203 Y HN 0.413 nan 8.280 nan 0.000 0.444 204 P HA -0.217 nan 4.420 nan 0.000 0.216 204 P C 1.286 178.467 177.300 -0.197 0.000 1.150 204 P CA 2.304 65.120 63.100 -0.473 0.000 0.837 204 P CB 0.371 31.391 31.700 -1.133 0.000 0.786 205 A N -0.114 122.596 122.820 -0.183 0.000 2.019 205 A HA -0.154 4.170 4.320 0.006 0.000 0.219 205 A C 1.955 179.565 177.584 0.044 0.000 1.164 205 A CA 1.200 53.262 52.037 0.043 0.000 0.644 205 A CB -0.827 18.228 19.000 0.092 0.000 0.805 205 A HN 0.155 nan 8.150 nan 0.000 0.449 206 R N -1.235 119.270 120.500 0.008 0.000 2.359 206 R HA 0.245 4.588 4.340 0.006 0.000 0.231 206 R C 1.065 177.363 176.300 -0.004 0.000 0.913 206 R CA 0.437 56.548 56.100 0.020 0.000 1.075 206 R CB -0.052 30.262 30.300 0.024 0.000 1.087 206 R HN 0.604 nan 8.270 nan 0.000 0.515 207 G N 1.633 110.433 108.800 -0.000 0.000 2.160 207 G HA2 -0.314 3.649 3.960 0.006 0.000 0.251 207 G HA3 -0.314 3.649 3.960 0.006 0.000 0.251 207 G C 0.658 175.469 174.900 -0.150 0.000 1.008 207 G CA 0.919 46.045 45.100 0.043 0.000 0.724 207 G HN 0.448 nan 8.290 nan 0.000 0.514 208 T N -3.045 111.291 114.554 -0.362 0.000 3.176 208 T HA 0.588 4.942 4.350 0.006 0.000 0.263 208 T C 0.129 174.615 174.700 -0.357 0.000 1.021 208 T CA 0.218 62.049 62.100 -0.449 0.000 0.905 208 T CB 1.107 69.647 68.868 -0.546 0.000 1.057 208 T HN 0.850 nan 8.240 nan 0.000 0.558 209 V N 1.221 120.916 119.914 -0.365 0.000 2.610 209 V HA 0.766 4.889 4.120 0.006 0.000 0.298 209 V C -0.220 175.436 176.094 -0.730 0.000 1.067 209 V CA -1.108 60.855 62.300 -0.561 0.000 0.894 209 V CB 1.198 32.640 31.823 -0.634 0.000 1.015 209 V HN 0.643 nan 8.190 nan 0.000 0.432 210 A N 4.755 127.103 122.820 -0.785 0.000 2.299 210 A HA 1.031 5.355 4.320 0.006 0.000 0.332 210 A C -1.201 175.626 177.584 -1.262 0.000 1.131 210 A CA -0.425 51.151 52.037 -0.769 0.000 0.844 210 A CB 1.148 19.907 19.000 -0.402 0.000 1.251 210 A HN 0.633 nan 8.150 nan 0.000 0.486 211 F N -0.467 119.003 119.950 -0.799 0.000 2.576 211 F HA 0.767 5.296 4.527 0.004 0.000 0.313 211 F C 0.717 176.055 175.800 -0.770 0.000 1.078 211 F CA 0.185 57.674 58.000 -0.853 0.000 0.921 211 F CB 2.732 41.105 39.000 -1.045 0.000 1.232 211 F HN 1.005 nan 8.300 nan 0.000 0.459 212 G N 0.174 108.688 108.800 -0.476 0.000 2.320 212 G HA2 0.432 4.396 3.960 0.006 0.000 0.296 212 G HA3 0.432 4.396 3.960 0.006 0.000 0.296 212 G C -2.008 172.304 174.900 -0.979 0.000 1.306 212 G CA -0.794 43.802 45.100 -0.840 0.000 0.836 212 G HN 0.704 nan 8.290 nan 0.000 0.517 213 S N -0.809 114.074 115.700 -1.362 0.000 2.707 213 S HA 0.568 5.042 4.470 0.006 0.000 0.312 213 S C 1.313 175.588 174.600 -0.541 0.000 1.116 213 S CA 0.696 58.343 58.200 -0.923 0.000 1.078 213 S CB 0.983 63.536 63.200 -1.079 0.000 0.997 213 S HN 1.784 nan 8.310 nan 0.000 0.477 214 G N 3.993 112.605 108.800 -0.313 0.000 2.422 214 G HA2 -0.107 3.857 3.960 0.006 0.000 0.218 214 G HA3 -0.107 3.857 3.960 0.006 0.000 0.218 214 G C 1.215 176.067 174.900 -0.080 0.000 1.146 214 G CA 1.004 46.009 45.100 -0.159 0.000 0.769 214 G HN 0.670 nan 8.290 nan 0.000 0.547 215 L N 0.831 122.000 121.223 -0.090 0.000 1.944 215 L HA -0.175 4.169 4.340 0.006 0.000 0.218 215 L C 2.607 179.606 176.870 0.215 0.000 1.075 215 L CA 2.257 57.124 54.840 0.045 0.000 0.767 215 L CB -1.018 41.054 42.059 0.021 0.000 0.890 215 L HN 0.330 nan 8.230 nan 0.000 0.434 216 H N 0.331 119.461 119.070 0.100 0.000 2.521 216 H HA 0.239 4.799 4.556 0.006 0.000 0.286 216 H C 1.595 177.066 175.328 0.240 0.000 1.034 216 H CA 0.302 56.489 56.048 0.231 0.000 1.278 216 H CB -0.767 29.300 29.762 0.509 0.000 1.386 216 H HN 0.591 nan 8.280 nan 0.000 0.567 217 G N -0.149 108.773 108.800 0.203 0.000 2.171 217 G HA2 -0.182 3.781 3.960 0.006 0.000 0.238 217 G HA3 -0.182 3.781 3.960 0.006 0.000 0.238 217 G C -0.025 175.020 174.900 0.242 0.000 1.039 217 G CA 0.296 45.491 45.100 0.157 0.000 0.759 217 G HN 0.521 nan 8.290 nan 0.000 0.501 218 W N -1.305 120.080 121.300 0.142 0.000 2.882 218 W HA 0.871 5.534 4.660 0.005 0.000 0.345 218 W C -0.161 176.420 176.519 0.104 0.000 1.125 218 W CA -1.413 56.021 57.345 0.148 0.000 1.167 218 W CB 1.525 31.135 29.460 0.249 0.000 1.431 218 W HN 1.251 nan 8.180 nan 0.000 0.543 219 A N 2.160 125.200 122.820 0.365 0.000 2.581 219 A HA 0.757 5.081 4.320 0.006 0.000 0.294 219 A C -2.029 175.700 177.584 0.242 0.000 1.035 219 A CA -0.711 51.398 52.037 0.119 0.000 0.684 219 A CB 0.900 19.827 19.000 -0.121 0.000 1.282 219 A HN 1.202 nan 8.150 nan 0.000 0.417 220 F N -1.014 119.070 119.950 0.222 0.000 2.711 220 F HA 0.916 5.446 4.527 0.005 0.000 0.313 220 F C -0.280 175.665 175.800 0.241 0.000 1.141 220 F CA -0.230 57.874 58.000 0.173 0.000 0.941 220 F CB 1.318 40.453 39.000 0.225 0.000 1.349 220 F HN 1.039 nan 8.300 nan 0.000 0.464 221 T N -0.510 114.361 114.554 0.527 0.000 2.907 221 T HA 0.457 4.811 4.350 0.006 0.000 0.292 221 T C 0.625 175.691 174.700 0.610 0.000 1.043 221 T CA -0.779 61.584 62.100 0.439 0.000 1.003 221 T CB 1.526 70.501 68.868 0.179 0.000 1.084 221 T HN 0.651 nan 8.240 nan 0.000 0.483 222 I N 0.907 121.839 120.570 0.603 0.000 2.248 222 I HA -0.143 4.031 4.170 0.006 0.000 0.248 222 I C 2.603 178.949 176.117 0.381 0.000 1.107 222 I CA 1.549 63.187 61.300 0.564 0.000 1.373 222 I CB -1.119 37.160 38.000 0.466 0.000 1.055 222 I HN 0.852 nan 8.210 nan 0.000 0.418 223 R N 0.838 121.497 120.500 0.264 0.000 2.193 223 R HA -0.176 4.167 4.340 0.006 0.000 0.229 223 R C 2.096 178.474 176.300 0.130 0.000 1.110 223 R CA 1.127 57.330 56.100 0.172 0.000 0.988 223 R CB 0.042 30.421 30.300 0.130 0.000 0.871 223 R HN 0.495 nan 8.270 nan 0.000 0.458 224 Q N -1.039 118.837 119.800 0.127 0.000 2.137 224 Q HA -0.073 4.270 4.340 0.006 0.000 0.198 224 Q C 1.468 177.406 176.000 -0.104 0.000 0.960 224 Q CA 1.088 56.875 55.803 -0.027 0.000 0.847 224 Q CB 0.111 28.788 28.738 -0.102 0.000 0.915 224 Q HN 0.312 nan 8.270 nan 0.000 0.448 225 F N 0.129 120.143 119.950 0.108 0.000 2.456 225 F HA 0.044 4.576 4.527 0.007 0.000 0.298 225 F C 2.132 178.040 175.800 0.180 0.000 1.104 225 F CA 0.763 58.827 58.000 0.108 0.000 1.435 225 F CB -0.175 38.929 39.000 0.174 0.000 1.078 225 F HN 0.027 nan 8.300 nan 0.000 0.546 226 A N -0.843 122.166 122.820 0.315 0.000 2.014 226 A HA -0.088 4.236 4.320 0.006 0.000 0.218 226 A C 2.148 179.816 177.584 0.141 0.000 1.163 226 A CA 1.872 54.041 52.037 0.219 0.000 0.652 226 A CB -1.044 18.053 19.000 0.161 0.000 0.808 226 A HN 0.295 nan 8.150 nan 0.000 0.449 227 T N -0.353 114.256 114.554 0.090 0.000 2.985 227 T HA -0.041 4.313 4.350 0.006 0.000 0.266 227 T C 1.995 176.711 174.700 0.026 0.000 1.076 227 T CA 1.262 63.388 62.100 0.043 0.000 1.135 227 T CB -0.092 68.781 68.868 0.009 0.000 0.890 227 T HN 0.550 nan 8.240 nan 0.000 0.480 228 R N 0.122 120.620 120.500 -0.004 0.000 2.052 228 R HA 0.089 4.433 4.340 0.006 0.000 0.224 228 R C 1.836 178.113 176.300 -0.039 0.000 1.149 228 R CA 0.965 57.016 56.100 -0.082 0.000 0.962 228 R CB -0.438 29.731 30.300 -0.218 0.000 0.856 228 R HN 0.326 nan 8.270 nan 0.000 0.433 229 Y N 1.507 121.901 120.300 0.157 0.000 2.680 229 Y HA 0.023 4.577 4.550 0.006 0.000 0.303 229 Y C 2.195 178.213 175.900 0.197 0.000 1.166 229 Y CA 0.126 58.347 58.100 0.202 0.000 1.344 229 Y CB -0.732 37.819 38.460 0.152 0.000 1.002 229 Y HN 0.182 nan 8.280 nan 0.000 0.537 230 A N 0.518 123.469 122.820 0.218 0.000 1.909 230 A HA -0.292 4.032 4.320 0.006 0.000 0.221 230 A C 2.253 179.928 177.584 0.151 0.000 1.223 230 A CA 2.308 54.432 52.037 0.145 0.000 0.658 230 A CB -0.290 18.760 19.000 0.083 0.000 0.831 230 A HN 0.217 nan 8.150 nan 0.000 0.462 231 K N -1.213 119.265 120.400 0.130 0.000 2.348 231 K HA 0.062 4.386 4.320 0.006 0.000 0.194 231 K C 1.652 178.301 176.600 0.081 0.000 1.052 231 K CA 1.012 57.358 56.287 0.099 0.000 1.004 231 K CB -0.091 32.441 32.500 0.055 0.000 0.873 231 K HN 0.518 nan 8.250 nan 0.000 0.523 232 K N 0.584 121.022 120.400 0.063 0.000 2.442 232 K HA -0.091 4.233 4.320 0.006 0.000 0.200 232 K C 0.713 177.092 176.600 -0.369 0.000 1.045 232 K CA 1.381 57.584 56.287 -0.140 0.000 0.937 232 K CB -0.206 32.194 32.500 -0.167 0.000 0.757 232 K HN 0.060 nan 8.250 nan 0.000 0.474 233 F N -1.248 118.721 119.950 0.032 0.000 2.817 233 F HA 0.335 4.866 4.527 0.007 0.000 0.333 233 F C 0.791 176.627 175.800 0.060 0.000 1.085 233 F CA -0.090 57.939 58.000 0.049 0.000 1.170 233 F CB 1.147 40.168 39.000 0.034 0.000 1.066 233 F HN 0.074 nan 8.300 nan 0.000 0.564 234 G N 2.386 111.300 108.800 0.190 0.000 2.473 234 G HA2 0.027 3.991 3.960 0.006 0.000 0.289 234 G HA3 0.027 3.991 3.960 0.006 0.000 0.289 234 G C -0.643 174.322 174.900 0.110 0.000 1.084 234 G CA 0.070 45.244 45.100 0.123 0.000 1.215 234 G HN 0.756 nan 8.290 nan 0.000 0.527 235 V N -2.027 117.941 119.914 0.089 0.000 3.049 235 V HA 0.879 5.002 4.120 0.006 0.000 0.309 235 V C -0.376 175.731 176.094 0.022 0.000 1.148 235 V CA -0.987 61.332 62.300 0.031 0.000 0.990 235 V CB 2.379 34.188 31.823 -0.024 0.000 1.039 235 V HN 0.554 nan 8.190 nan 0.000 0.430 236 D N 1.970 122.370 120.400 -0.001 0.000 2.280 236 D HA 0.287 4.930 4.640 0.006 0.000 0.243 236 D C 1.059 177.355 176.300 -0.007 0.000 1.129 236 D CA -0.336 53.666 54.000 0.003 0.000 0.848 236 D CB 1.589 42.388 40.800 -0.001 0.000 1.107 236 D HN 0.860 nan 8.370 nan 0.000 0.471 237 K N 1.650 122.057 120.400 0.011 0.000 2.304 237 K HA -0.344 3.980 4.320 0.006 0.000 0.204 237 K C 1.669 178.270 176.600 0.001 0.000 1.044 237 K CA 1.385 57.680 56.287 0.014 0.000 0.932 237 K CB -0.390 32.132 32.500 0.037 0.000 0.735 237 K HN 0.392 nan 8.250 nan 0.000 0.468 238 A N 2.947 125.765 122.820 -0.004 0.000 1.873 238 A HA -0.262 4.061 4.320 0.006 0.000 0.218 238 A C 2.115 179.681 177.584 -0.031 0.000 1.193 238 A CA 2.314 54.347 52.037 -0.007 0.000 0.629 238 A CB -0.568 18.427 19.000 -0.009 0.000 0.826 238 A HN 0.681 nan 8.150 nan 0.000 0.447 239 K N -2.123 118.239 120.400 -0.064 0.000 2.400 239 K HA 0.144 4.468 4.320 0.006 0.000 0.194 239 K C 1.704 178.190 176.600 -0.190 0.000 1.033 239 K CA 1.033 57.249 56.287 -0.118 0.000 1.021 239 K CB -0.117 32.302 32.500 -0.135 0.000 0.808 239 K HN 0.306 nan 8.250 nan 0.000 0.505 240 M N 2.491 122.000 119.600 -0.152 0.000 2.160 240 M HA 0.074 4.557 4.480 0.006 0.000 0.264 240 M C 2.125 178.360 176.300 -0.108 0.000 1.073 240 M CA 1.431 56.608 55.300 -0.204 0.000 1.142 240 M CB -0.233 32.301 32.600 -0.109 0.000 1.358 240 M HN 0.371 nan 8.290 nan 0.000 0.422 241 M N -2.292 117.307 119.600 -0.001 0.000 2.394 241 M HA -0.038 4.446 4.480 0.006 0.000 0.264 241 M C 1.403 177.758 176.300 0.092 0.000 1.073 241 M CA 1.784 57.140 55.300 0.093 0.000 1.111 241 M CB -0.879 31.797 32.600 0.127 0.000 1.401 241 M HN 0.124 nan 8.290 nan 0.000 0.448 242 D N 1.377 121.787 120.400 0.016 0.000 2.264 242 D HA -0.081 4.563 4.640 0.006 0.000 0.208 242 D C 1.871 178.175 176.300 0.007 0.000 0.966 242 D CA 0.982 54.993 54.000 0.019 0.000 0.864 242 D CB 0.104 40.884 40.800 -0.033 0.000 0.933 242 D HN 0.522 nan 8.370 nan 0.000 0.499 243 R N -0.503 119.944 120.500 -0.089 0.000 2.156 243 R HA 0.186 4.530 4.340 0.006 0.000 0.207 243 R C 2.265 178.569 176.300 0.007 0.000 1.040 243 R CA -0.016 55.991 56.100 -0.155 0.000 1.013 243 R CB 0.101 30.077 30.300 -0.540 0.000 0.931 243 R HN 0.148 nan 8.270 nan 0.000 0.465 244 L N 0.145 121.428 121.223 0.101 0.000 2.642 244 L HA -0.045 4.299 4.340 0.006 0.000 0.236 244 L C 0.509 177.665 176.870 0.477 0.000 1.169 244 L CA 0.474 55.480 54.840 0.277 0.000 0.851 244 L CB -0.128 42.124 42.059 0.321 0.000 0.968 244 L HN 0.273 nan 8.230 nan 0.000 0.453 245 W N -0.278 121.103 121.300 0.135 0.000 3.032 245 W HA 0.451 5.114 4.660 0.005 0.000 0.335 245 W C 0.405 176.956 176.519 0.052 0.000 1.154 245 W CA 0.235 57.646 57.345 0.111 0.000 1.204 245 W CB 1.755 31.278 29.460 0.105 0.000 1.416 245 W HN 0.039 nan 8.180 nan 0.000 0.521 246 G N 3.269 111.665 108.800 -0.673 0.000 2.542 246 G HA2 -0.244 3.720 3.960 0.006 0.000 0.235 246 G HA3 -0.244 3.720 3.960 0.006 0.000 0.235 246 G C -0.710 173.985 174.900 -0.341 0.000 1.286 246 G CA -0.120 44.776 45.100 -0.340 0.000 0.904 246 G HN 0.470 nan 8.290 nan 0.000 0.577 247 D N 1.816 122.119 120.400 -0.160 0.000 2.563 247 D HA 0.512 5.156 4.640 0.006 0.000 0.222 247 D C -0.193 176.030 176.300 -0.129 0.000 1.145 247 D CA 0.473 54.393 54.000 -0.134 0.000 1.001 247 D CB 0.633 41.566 40.800 0.221 0.000 1.049 247 D HN 0.381 nan 8.370 nan 0.000 0.515 248 S N 1.017 116.388 115.700 -0.550 0.000 2.521 248 S HA 0.627 5.101 4.470 0.006 0.000 0.295 248 S C -0.674 173.644 174.600 -0.471 0.000 1.098 248 S CA -0.612 57.497 58.200 -0.152 0.000 0.999 248 S CB 1.188 64.393 63.200 0.008 0.000 1.034 248 S HN 0.152 nan 8.310 nan 0.000 0.483 249 F N 1.852 121.975 119.950 0.288 0.000 2.565 249 F HA 0.558 5.087 4.527 0.003 0.000 0.313 249 F C -0.748 175.082 175.800 0.051 0.000 1.091 249 F CA -0.935 57.148 58.000 0.137 0.000 0.915 249 F CB 1.328 40.336 39.000 0.012 0.000 1.208 249 F HN 0.504 nan 8.300 nan 0.000 0.453 250 F N 3.691 123.514 119.950 -0.212 0.000 2.366 250 F HA 0.374 4.904 4.527 0.005 0.000 0.366 250 F C 0.026 175.668 175.800 -0.263 0.000 1.096 250 F CA -0.813 56.845 58.000 -0.569 0.000 1.060 250 F CB 0.352 38.833 39.000 -0.865 0.000 1.282 250 F HN 0.399 nan 8.300 nan 0.000 0.450 251 N N 7.223 125.593 118.700 -0.550 0.000 2.440 251 N HA 0.068 4.812 4.740 0.006 0.000 0.265 251 N C -1.933 173.272 175.510 -0.508 0.000 1.239 251 N CA -1.025 51.790 53.050 -0.391 0.000 0.909 251 N CB 1.604 39.899 38.487 -0.321 0.000 1.066 251 N HN 0.327 nan 8.380 nan 0.000 0.474 252 P HA -0.010 nan 4.420 nan 0.000 0.219 252 P C 0.687 177.900 177.300 -0.145 0.000 1.150 252 P CA 1.226 64.247 63.100 -0.133 0.000 0.814 252 P CB 0.540 32.206 31.700 -0.057 0.000 0.787 253 K N -0.569 119.738 120.400 -0.155 0.000 1.975 253 K HA -0.072 4.252 4.320 0.006 0.000 0.210 253 K C 2.207 178.720 176.600 -0.145 0.000 1.041 253 K CA 2.122 58.336 56.287 -0.121 0.000 0.942 253 K CB -1.354 31.084 32.500 -0.103 0.000 0.729 253 K HN 0.161 nan 8.250 nan 0.000 0.439 254 T N -0.702 113.742 114.554 -0.184 0.000 2.962 254 T HA -0.088 4.266 4.350 0.006 0.000 0.270 254 T C 0.522 175.081 174.700 -0.234 0.000 1.088 254 T CA 0.727 62.721 62.100 -0.177 0.000 1.127 254 T CB -0.156 68.611 68.868 -0.169 0.000 0.883 254 T HN 0.095 nan 8.240 nan 0.000 0.493 255 K N 0.533 120.682 120.400 -0.418 0.000 3.129 255 K HA -0.114 4.210 4.320 0.006 0.000 0.273 255 K C -0.537 175.722 176.600 -0.568 0.000 1.123 255 K CA 0.810 56.761 56.287 -0.560 0.000 0.800 255 K CB -1.676 30.751 32.500 -0.122 0.000 1.238 255 K HN 0.620 nan 8.250 nan 0.000 0.492 256 K N -0.678 119.354 120.400 -0.613 0.000 2.267 256 K HA 0.445 4.768 4.320 0.006 0.000 0.246 256 K C -0.308 176.097 176.600 -0.324 0.000 0.954 256 K CA -0.762 55.359 56.287 -0.276 0.000 0.824 256 K CB 1.000 33.438 32.500 -0.105 0.000 1.167 256 K HN -0.013 nan 8.250 nan 0.000 0.431 257 W N 1.032 122.367 121.300 0.058 0.000 2.365 257 W HA 0.291 4.954 4.660 0.004 0.000 0.316 257 W C -0.053 176.520 176.519 0.091 0.000 1.164 257 W CA 0.020 57.455 57.345 0.149 0.000 1.204 257 W CB 1.631 31.201 29.460 0.185 0.000 1.213 257 W HN 0.392 nan 8.180 nan 0.000 0.539 258 T N 2.018 116.791 114.554 0.365 0.000 2.887 258 T HA 0.231 4.585 4.350 0.006 0.000 0.292 258 T C 0.169 175.070 174.700 0.334 0.000 1.087 258 T CA -0.847 61.398 62.100 0.241 0.000 1.009 258 T CB 1.594 70.520 68.868 0.098 0.000 1.203 258 T HN 0.292 nan 8.240 nan 0.000 0.518 259 N N 0.889 119.716 118.700 0.212 0.000 2.187 259 N HA 0.121 4.865 4.740 0.006 0.000 0.212 259 N C -0.478 175.106 175.510 0.123 0.000 1.152 259 N CA 0.039 53.236 53.050 0.244 0.000 0.872 259 N CB 0.608 39.184 38.487 0.149 0.000 1.025 259 N HN 0.593 nan 8.380 nan 0.000 0.514 260 K N -0.075 120.268 120.400 -0.096 0.000 2.324 260 K HA 0.334 4.658 4.320 0.006 0.000 0.253 260 K C -0.606 175.499 176.600 -0.825 0.000 0.932 260 K CA -0.654 55.437 56.287 -0.327 0.000 0.799 260 K CB 1.288 33.677 32.500 -0.185 0.000 1.154 260 K HN -0.247 nan 8.250 nan 0.000 0.425 261 D N 0.839 120.632 120.400 -1.011 0.000 2.368 261 D HA -0.076 4.568 4.640 0.006 0.000 0.250 261 D C -0.378 175.600 176.300 -0.537 0.000 1.142 261 D CA 0.165 53.484 54.000 -1.136 0.000 0.925 261 D CB -0.190 40.237 40.800 -0.622 0.000 0.896 261 D HN 0.654 nan 8.370 nan 0.000 0.525 262 T N -2.533 111.780 114.554 -0.402 0.000 2.923 262 T HA 0.442 4.795 4.350 0.006 0.000 0.311 262 T C -0.938 173.651 174.700 -0.186 0.000 1.183 262 T CA -1.268 60.690 62.100 -0.236 0.000 1.020 262 T CB 2.257 71.023 68.868 -0.171 0.000 1.165 262 T HN 0.045 nan 8.240 nan 0.000 0.482 263 D N 0.984 121.298 120.400 -0.142 0.000 2.432 263 D HA 0.578 5.221 4.640 0.006 0.000 0.258 263 D C 1.745 177.990 176.300 -0.092 0.000 1.146 263 D CA -0.416 53.516 54.000 -0.114 0.000 1.015 263 D CB 0.459 41.195 40.800 -0.106 0.000 1.107 263 D HN 0.678 nan 8.370 nan 0.000 0.529 264 A N 0.287 123.062 122.820 -0.076 0.000 1.954 264 A HA -0.315 4.008 4.320 0.006 0.000 0.222 264 A C 1.755 179.305 177.584 -0.057 0.000 1.199 264 A CA 2.009 54.010 52.037 -0.061 0.000 0.657 264 A CB -0.996 17.973 19.000 -0.052 0.000 0.823 264 A HN 0.739 nan 8.150 nan 0.000 0.463 265 E N -1.818 118.346 120.200 -0.059 0.000 2.511 265 E HA 0.255 4.609 4.350 0.006 0.000 0.196 265 E C 1.128 177.694 176.600 -0.057 0.000 1.066 265 E CA 0.287 56.655 56.400 -0.053 0.000 0.871 265 E CB -0.210 29.460 29.700 -0.050 0.000 0.863 265 E HN 0.867 nan 8.360 nan 0.000 0.520 266 G N 2.079 110.838 108.800 -0.068 0.000 2.141 266 G HA2 -0.290 3.674 3.960 0.006 0.000 0.242 266 G HA3 -0.290 3.674 3.960 0.006 0.000 0.242 266 G C 0.048 174.901 174.900 -0.078 0.000 0.982 266 G CA -0.038 45.018 45.100 -0.072 0.000 0.662 266 G HN 0.156 nan 8.290 nan 0.000 0.527 267 K N 0.833 121.184 120.400 -0.080 0.000 2.237 267 K HA 0.430 4.754 4.320 0.006 0.000 0.270 267 K C -2.454 174.085 176.600 -0.102 0.000 1.015 267 K CA -1.685 54.553 56.287 -0.081 0.000 0.949 267 K CB 0.842 33.297 32.500 -0.074 0.000 0.976 267 K HN 0.043 nan 8.250 nan 0.000 0.472 268 P HA 0.112 nan 4.420 nan 0.000 0.275 268 P C -0.935 176.303 177.300 -0.104 0.000 1.227 268 P CA 0.010 63.045 63.100 -0.108 0.000 0.781 268 P CB 0.566 32.218 31.700 -0.080 0.000 0.906 269 L N 1.959 123.110 121.223 -0.121 0.000 2.341 269 L HA 0.395 4.739 4.340 0.006 0.000 0.278 269 L C 0.719 177.665 176.870 0.128 0.000 1.005 269 L CA -0.838 53.978 54.840 -0.041 0.000 0.818 269 L CB 1.677 43.684 42.059 -0.087 0.000 1.259 269 L HN 0.372 nan 8.230 nan 0.000 0.418 270 E N 4.103 124.335 120.200 0.053 0.000 2.360 270 E HA 0.079 4.432 4.350 0.006 0.000 0.269 270 E C -0.062 176.537 176.600 -0.001 0.000 1.022 270 E CA -0.539 55.853 56.400 -0.012 0.000 0.887 270 E CB 0.977 30.591 29.700 -0.144 0.000 0.990 270 E HN 0.407 nan 8.360 nan 0.000 0.426 271 R N 3.052 123.444 120.500 -0.179 0.000 2.623 271 R HA 0.027 4.370 4.340 0.006 0.000 0.271 271 R C 0.838 176.918 176.300 -0.367 0.000 1.043 271 R CA 0.652 56.435 56.100 -0.528 0.000 1.083 271 R CB 0.607 30.507 30.300 -0.666 0.000 0.974 271 R HN 0.749 nan 8.270 nan 0.000 0.436 272 A N 5.120 127.781 122.820 -0.265 0.000 1.917 272 A HA -0.243 4.081 4.320 0.006 0.000 0.219 272 A C 1.795 179.386 177.584 0.012 0.000 1.182 272 A CA 1.555 53.628 52.037 0.060 0.000 0.633 272 A CB -0.677 18.538 19.000 0.360 0.000 0.819 272 A HN 0.887 nan 8.150 nan 0.000 0.448 273 F N 1.522 121.351 119.950 -0.202 0.000 2.075 273 F HA -0.221 4.310 4.527 0.007 0.000 0.297 273 F C 1.946 177.604 175.800 -0.238 0.000 1.113 273 F CA 2.278 60.191 58.000 -0.146 0.000 1.218 273 F CB -0.439 38.483 39.000 -0.130 0.000 0.984 273 F HN 0.273 nan 8.300 nan 0.000 0.472 274 N N -0.119 118.438 118.700 -0.239 0.000 2.166 274 N HA -0.192 4.551 4.740 0.006 0.000 0.186 274 N C 1.975 177.202 175.510 -0.471 0.000 1.019 274 N CA 1.650 54.483 53.050 -0.362 0.000 0.856 274 N CB -0.396 37.899 38.487 -0.320 0.000 0.993 274 N HN 0.366 nan 8.380 nan 0.000 0.426 275 M N -0.926 118.359 119.600 -0.525 0.000 2.064 275 M HA -0.040 4.443 4.480 0.006 0.000 0.260 275 M C 0.801 176.568 176.300 -0.890 0.000 1.073 275 M CA 1.602 56.437 55.300 -0.775 0.000 1.124 275 M CB -0.037 31.898 32.600 -1.109 0.000 1.326 275 M HN 0.069 nan 8.290 nan 0.000 0.410 276 F N -0.999 118.716 119.950 -0.393 0.000 2.698 276 F HA 0.155 4.685 4.527 0.006 0.000 0.295 276 F C 1.724 177.215 175.800 -0.514 0.000 1.124 276 F CA 0.365 58.080 58.000 -0.475 0.000 1.426 276 F CB -0.223 38.255 39.000 -0.871 0.000 1.120 276 F HN 0.070 nan 8.300 nan 0.000 0.583 277 I N -1.058 119.120 120.570 -0.652 0.000 3.578 277 I HA -0.066 4.108 4.170 0.006 0.000 0.238 277 I C 2.051 177.697 176.117 -0.785 0.000 1.080 277 I CA 0.247 60.839 61.300 -1.180 0.000 1.538 277 I CB -0.542 36.618 38.000 -1.399 0.000 1.477 277 I HN -0.123 nan 8.210 nan 0.000 0.464 278 L N 0.956 121.752 121.223 -0.711 0.000 2.043 278 L HA -0.282 4.062 4.340 0.006 0.000 0.212 278 L C 2.140 178.887 176.870 -0.205 0.000 1.075 278 L CA 1.938 56.581 54.840 -0.328 0.000 0.752 278 L CB -0.763 41.078 42.059 -0.364 0.000 0.891 278 L HN 0.401 nan 8.230 nan 0.000 0.432 279 D N -0.342 119.856 120.400 -0.337 0.000 2.092 279 D HA -0.141 4.502 4.640 0.006 0.000 0.193 279 D C -0.578 175.671 176.300 -0.085 0.000 0.994 279 D CA 1.301 55.160 54.000 -0.235 0.000 0.828 279 D CB -0.553 40.079 40.800 -0.280 0.000 0.963 279 D HN 0.123 nan 8.370 nan 0.000 0.450 280 P HA -0.134 nan 4.420 nan 0.000 0.215 280 P C 1.445 178.736 177.300 -0.015 0.000 1.157 280 P CA 1.160 64.249 63.100 -0.018 0.000 0.874 280 P CB -0.038 31.708 31.700 0.078 0.000 0.790 281 I N -2.365 118.222 120.570 0.027 0.000 2.142 281 I HA -0.260 3.914 4.170 0.006 0.000 0.240 281 I C 2.168 178.249 176.117 -0.060 0.000 1.078 281 I CA 1.560 62.850 61.300 -0.016 0.000 1.343 281 I CB -0.841 37.120 38.000 -0.065 0.000 1.046 281 I HN -0.159 nan 8.210 nan 0.000 0.405 282 F N 1.239 121.056 119.950 -0.222 0.000 2.236 282 F HA -0.201 4.328 4.527 0.005 0.000 0.302 282 F C 2.677 178.448 175.800 -0.049 0.000 1.073 282 F CA 1.398 59.296 58.000 -0.170 0.000 1.336 282 F CB -0.462 38.457 39.000 -0.135 0.000 1.040 282 F HN -0.025 nan 8.300 nan 0.000 0.507 283 R N -0.105 120.469 120.500 0.124 0.000 2.062 283 R HA -0.081 4.263 4.340 0.006 0.000 0.229 283 R C 2.293 178.625 176.300 0.053 0.000 1.128 283 R CA 1.150 57.289 56.100 0.064 0.000 0.960 283 R CB -0.967 29.339 30.300 0.009 0.000 0.855 283 R HN 0.336 nan 8.270 nan 0.000 0.432 284 L N -0.270 120.978 121.223 0.042 0.000 2.042 284 L HA -0.178 4.166 4.340 0.006 0.000 0.210 284 L C 2.388 179.327 176.870 0.116 0.000 1.076 284 L CA 1.516 56.375 54.840 0.032 0.000 0.749 284 L CB -0.491 41.563 42.059 -0.008 0.000 0.893 284 L HN 0.112 nan 8.230 nan 0.000 0.432 285 F N -0.033 119.850 119.950 -0.112 0.000 2.113 285 F HA -0.227 4.304 4.527 0.007 0.000 0.297 285 F C 2.695 178.433 175.800 -0.102 0.000 1.103 285 F CA 1.500 59.431 58.000 -0.115 0.000 1.248 285 F CB -0.414 38.503 39.000 -0.138 0.000 0.999 285 F HN 0.033 nan 8.300 nan 0.000 0.475 286 T N -0.078 114.559 114.554 0.139 0.000 2.708 286 T HA -0.199 4.155 4.350 0.006 0.000 0.266 286 T C 2.158 176.854 174.700 -0.005 0.000 1.037 286 T CA 1.173 63.310 62.100 0.061 0.000 1.146 286 T CB -0.679 68.235 68.868 0.077 0.000 0.865 286 T HN 0.306 nan 8.240 nan 0.000 0.435 287 A N 1.333 124.146 122.820 -0.011 0.000 1.858 287 A HA -0.032 4.291 4.320 0.006 0.000 0.216 287 A C 2.336 179.853 177.584 -0.112 0.000 1.190 287 A CA 1.390 53.401 52.037 -0.044 0.000 0.617 287 A CB -0.833 18.145 19.000 -0.037 0.000 0.827 287 A HN 0.514 nan 8.150 nan 0.000 0.443 288 I N -0.740 119.736 120.570 -0.156 0.000 2.286 288 I HA -0.205 3.969 4.170 0.006 0.000 0.245 288 I C 2.217 178.037 176.117 -0.494 0.000 1.104 288 I CA 0.972 62.110 61.300 -0.270 0.000 1.397 288 I CB -0.287 37.562 38.000 -0.251 0.000 1.072 288 I HN 0.255 nan 8.210 nan 0.000 0.417 289 M N 0.135 119.484 119.600 -0.418 0.000 2.557 289 M HA -0.064 4.419 4.480 0.006 0.000 0.259 289 M C 0.687 176.673 176.300 -0.524 0.000 1.086 289 M CA 1.303 56.297 55.300 -0.509 0.000 1.096 289 M CB -1.282 31.163 32.600 -0.258 0.000 1.424 289 M HN 0.215 nan 8.290 nan 0.000 0.488 290 N N -0.493 118.003 118.700 -0.340 0.000 2.214 290 N HA 0.176 4.920 4.740 0.006 0.000 0.214 290 N C -0.468 175.090 175.510 0.080 0.000 1.132 290 N CA -0.087 52.931 53.050 -0.052 0.000 0.856 290 N CB -0.020 38.475 38.487 0.012 0.000 1.020 290 N HN 0.063 nan 8.380 nan 0.000 0.509 291 F N 0.157 120.099 119.950 -0.014 0.000 3.097 291 F HA -0.314 4.217 4.527 0.006 0.000 0.278 291 F C -0.086 175.708 175.800 -0.010 0.000 0.917 291 F CA 0.478 58.469 58.000 -0.015 0.000 0.962 291 F CB -1.755 37.237 39.000 -0.013 0.000 0.964 291 F HN 0.070 nan 8.300 nan 0.000 0.668 292 K N 1.816 122.257 120.400 0.069 0.000 2.121 292 K HA 0.037 4.361 4.320 0.006 0.000 0.235 292 K C 1.292 177.914 176.600 0.036 0.000 1.200 292 K CA 0.186 56.506 56.287 0.054 0.000 1.115 292 K CB 0.066 32.581 32.500 0.025 0.000 1.474 292 K HN 0.568 nan 8.250 nan 0.000 0.295 293 K N 0.383 120.817 120.400 0.058 0.000 2.286 293 K HA -0.198 4.125 4.320 0.006 0.000 0.203 293 K C 0.526 177.139 176.600 0.020 0.000 1.045 293 K CA 1.324 57.635 56.287 0.040 0.000 0.935 293 K CB 0.105 32.636 32.500 0.051 0.000 0.737 293 K HN 0.249 nan 8.250 nan 0.000 0.460 294 D N 1.512 121.923 120.400 0.019 0.000 2.137 294 D HA -0.087 4.557 4.640 0.006 0.000 0.202 294 D C 1.779 178.080 176.300 0.003 0.000 0.970 294 D CA 1.092 55.098 54.000 0.010 0.000 0.837 294 D CB 0.059 40.865 40.800 0.011 0.000 0.981 294 D HN 0.456 nan 8.370 nan 0.000 0.475 295 E N 0.756 120.956 120.200 0.001 0.000 2.028 295 E HA -0.058 4.296 4.350 0.006 0.000 0.190 295 E C 2.469 179.059 176.600 -0.018 0.000 0.984 295 E CA 0.248 56.643 56.400 -0.008 0.000 0.800 295 E CB 0.025 29.721 29.700 -0.007 0.000 0.758 295 E HN 0.220 nan 8.360 nan 0.000 0.448 296 I N 2.133 122.690 120.570 -0.022 0.000 2.103 296 I HA -0.303 3.870 4.170 0.006 0.000 0.241 296 I C -0.430 175.667 176.117 -0.033 0.000 1.036 296 I CA 1.630 62.908 61.300 -0.035 0.000 1.300 296 I CB -1.834 36.144 38.000 -0.038 0.000 1.010 296 I HN 0.171 nan 8.210 nan 0.000 0.406 297 P HA -0.132 nan 4.420 nan 0.000 0.215 297 P C 1.945 179.232 177.300 -0.021 0.000 1.157 297 P CA 1.730 64.819 63.100 -0.018 0.000 0.868 297 P CB -0.141 31.553 31.700 -0.009 0.000 0.788 298 V N 0.340 120.243 119.914 -0.018 0.000 2.295 298 V HA -0.215 3.909 4.120 0.006 0.000 0.246 298 V C 2.786 178.864 176.094 -0.026 0.000 1.049 298 V CA 1.661 63.951 62.300 -0.017 0.000 1.024 298 V CB -1.474 30.342 31.823 -0.012 0.000 0.648 298 V HN 0.019 nan 8.190 nan 0.000 0.447 299 L N -0.445 120.758 121.223 -0.034 0.000 2.042 299 L HA -0.151 4.193 4.340 0.006 0.000 0.210 299 L C 2.174 179.000 176.870 -0.073 0.000 1.076 299 L CA 1.936 56.746 54.840 -0.050 0.000 0.749 299 L CB -0.637 41.388 42.059 -0.055 0.000 0.893 299 L HN 0.163 nan 8.230 nan 0.000 0.432 300 L N -0.239 120.941 121.223 -0.071 0.000 2.017 300 L HA -0.202 4.142 4.340 0.006 0.000 0.208 300 L C 2.608 179.443 176.870 -0.059 0.000 1.073 300 L CA 2.009 56.800 54.840 -0.083 0.000 0.745 300 L CB -1.034 40.988 42.059 -0.062 0.000 0.894 300 L HN 0.454 nan 8.230 nan 0.000 0.432 301 E N -0.172 120.007 120.200 -0.036 0.000 2.209 301 E HA -0.309 4.044 4.350 0.006 0.000 0.196 301 E C 2.170 178.759 176.600 -0.018 0.000 0.993 301 E CA 1.222 57.610 56.400 -0.021 0.000 0.819 301 E CB 0.086 29.778 29.700 -0.013 0.000 0.745 301 E HN 0.348 nan 8.360 nan 0.000 0.477 302 K N 0.229 120.613 120.400 -0.026 0.000 2.097 302 K HA -0.068 4.256 4.320 0.006 0.000 0.205 302 K C 1.739 178.331 176.600 -0.013 0.000 1.050 302 K CA 0.989 57.267 56.287 -0.015 0.000 0.938 302 K CB 0.048 32.539 32.500 -0.015 0.000 0.718 302 K HN 0.164 nan 8.250 nan 0.000 0.442 303 L N 0.708 121.903 121.223 -0.047 0.000 2.592 303 L HA 0.148 4.491 4.340 0.006 0.000 0.227 303 L C -0.056 176.816 176.870 0.002 0.000 1.127 303 L CA 0.010 54.824 54.840 -0.043 0.000 0.884 303 L CB -0.111 41.816 42.059 -0.220 0.000 1.065 303 L HN 0.291 nan 8.230 nan 0.000 0.457 304 E N 1.466 121.663 120.200 -0.004 0.000 2.271 304 E HA -0.218 4.136 4.350 0.006 0.000 0.223 304 E C -0.356 176.259 176.600 0.025 0.000 1.223 304 E CA 0.233 56.641 56.400 0.013 0.000 0.704 304 E CB -0.861 28.854 29.700 0.025 0.000 1.194 304 E HN 0.448 nan 8.360 nan 0.000 0.375 305 I N 1.686 122.258 120.570 0.002 0.000 2.359 305 I HA 0.161 4.335 4.170 0.006 0.000 0.284 305 I C 0.490 176.612 176.117 0.008 0.000 1.018 305 I CA -0.865 60.445 61.300 0.016 0.000 1.173 305 I CB 1.251 39.240 38.000 -0.018 0.000 1.326 305 I HN -0.042 nan 8.210 nan 0.000 0.462 306 V N 6.025 125.952 119.914 0.020 0.000 2.364 306 V HA 0.477 4.600 4.120 0.006 0.000 0.272 306 V C 0.094 176.198 176.094 0.017 0.000 1.036 306 V CA -0.633 61.676 62.300 0.015 0.000 0.880 306 V CB 0.767 32.600 31.823 0.017 0.000 0.991 306 V HN 0.499 nan 8.190 nan 0.000 0.460 307 L N 4.293 125.522 121.223 0.010 0.000 2.464 307 L HA 0.506 4.850 4.340 0.006 0.000 0.264 307 L C 0.679 177.557 176.870 0.013 0.000 1.199 307 L CA -0.187 54.660 54.840 0.012 0.000 0.818 307 L CB 0.680 42.742 42.059 0.005 0.000 1.102 307 L HN 0.565 nan 8.230 nan 0.000 0.473 308 K N 1.512 121.921 120.400 0.015 0.000 2.575 308 K HA 0.337 4.661 4.320 0.006 0.000 0.236 308 K C 0.336 176.943 176.600 0.013 0.000 0.976 308 K CA 0.478 56.774 56.287 0.015 0.000 0.985 308 K CB 1.184 33.695 32.500 0.018 0.000 1.198 308 K HN 0.840 nan 8.250 nan 0.000 0.464 309 G N 4.098 112.904 108.800 0.011 0.000 2.620 309 G HA2 -0.390 3.574 3.960 0.006 0.000 0.315 309 G HA3 -0.390 3.574 3.960 0.006 0.000 0.315 309 G C 0.813 175.719 174.900 0.010 0.000 1.179 309 G CA 0.561 45.667 45.100 0.010 0.000 0.971 309 G HN 0.601 nan 8.290 nan 0.000 0.544 310 D N 1.673 122.079 120.400 0.011 0.000 2.315 310 D HA -0.032 4.612 4.640 0.006 0.000 0.211 310 D C 2.363 178.670 176.300 0.011 0.000 0.977 310 D CA 1.445 55.451 54.000 0.011 0.000 0.894 310 D CB -0.183 40.624 40.800 0.011 0.000 0.910 310 D HN 0.744 nan 8.370 nan 0.000 0.490 311 E N 0.400 120.606 120.200 0.012 0.000 2.112 311 E HA -0.081 4.272 4.350 0.006 0.000 0.190 311 E C 1.883 178.488 176.600 0.008 0.000 0.979 311 E CA 0.446 56.852 56.400 0.011 0.000 0.814 311 E CB 0.059 29.766 29.700 0.013 0.000 0.762 311 E HN 0.266 nan 8.360 nan 0.000 0.460 312 K N 1.117 121.522 120.400 0.008 0.000 2.211 312 K HA -0.190 4.134 4.320 0.006 0.000 0.204 312 K C 1.512 178.118 176.600 0.010 0.000 1.047 312 K CA 1.675 57.966 56.287 0.007 0.000 0.935 312 K CB -0.155 32.349 32.500 0.007 0.000 0.728 312 K HN 0.252 nan 8.250 nan 0.000 0.452 313 D N -0.187 120.221 120.400 0.013 0.000 2.350 313 D HA -0.008 4.636 4.640 0.006 0.000 0.213 313 D C 0.419 176.734 176.300 0.025 0.000 1.031 313 D CA -0.048 53.963 54.000 0.018 0.000 0.861 313 D CB -0.025 40.785 40.800 0.015 0.000 0.926 313 D HN -0.016 nan 8.370 nan 0.000 0.520 314 L N 1.101 122.335 121.223 0.019 0.000 2.483 314 L HA 0.236 4.579 4.340 0.006 0.000 0.275 314 L C 0.589 177.478 176.870 0.032 0.000 1.220 314 L CA 0.282 55.134 54.840 0.021 0.000 0.833 314 L CB 0.334 42.396 42.059 0.004 0.000 1.102 314 L HN 0.296 nan 8.230 nan 0.000 0.490 315 E N 0.611 120.844 120.200 0.056 0.000 2.407 315 E HA 0.657 5.010 4.350 0.006 0.000 0.279 315 E C -0.171 176.487 176.600 0.098 0.000 1.012 315 E CA -0.533 55.926 56.400 0.099 0.000 0.800 315 E CB 1.739 31.602 29.700 0.272 0.000 1.276 315 E HN 0.724 nan 8.360 nan 0.000 0.452 316 G N 1.846 110.604 108.800 -0.070 0.000 2.553 316 G HA2 -0.349 3.614 3.960 0.006 0.000 0.242 316 G HA3 -0.349 3.614 3.960 0.006 0.000 0.242 316 G C 0.459 175.254 174.900 -0.175 0.000 1.277 316 G CA 0.223 45.245 45.100 -0.130 0.000 0.910 316 G HN 0.593 nan 8.290 nan 0.000 0.576 317 K N 0.281 120.602 120.400 -0.132 0.000 2.063 317 K HA 0.013 4.336 4.320 0.006 0.000 0.208 317 K C 3.121 179.623 176.600 -0.164 0.000 1.048 317 K CA 2.006 58.176 56.287 -0.196 0.000 0.928 317 K CB -0.453 31.961 32.500 -0.142 0.000 0.713 317 K HN 0.825 nan 8.250 nan 0.000 0.442 318 A N 1.730 124.502 122.820 -0.080 0.000 1.903 318 A HA -0.239 4.085 4.320 0.006 0.000 0.219 318 A C 2.131 179.677 177.584 -0.063 0.000 1.191 318 A CA 1.770 53.778 52.037 -0.050 0.000 0.638 318 A CB -0.703 18.291 19.000 -0.009 0.000 0.823 318 A HN 0.280 nan 8.150 nan 0.000 0.451 319 L N -0.888 120.289 121.223 -0.076 0.000 1.973 319 L HA -0.074 4.269 4.340 0.006 0.000 0.208 319 L C 2.267 179.068 176.870 -0.115 0.000 1.073 319 L CA 2.273 57.065 54.840 -0.079 0.000 0.746 319 L CB -0.886 41.123 42.059 -0.083 0.000 0.891 319 L HN 0.358 nan 8.230 nan 0.000 0.433 320 L N 0.439 121.544 121.223 -0.197 0.000 2.034 320 L HA -0.301 4.043 4.340 0.006 0.000 0.217 320 L C 2.595 179.356 176.870 -0.182 0.000 1.077 320 L CA 2.646 57.330 54.840 -0.261 0.000 0.769 320 L CB -1.028 40.754 42.059 -0.462 0.000 0.890 320 L HN 0.544 nan 8.230 nan 0.000 0.435 321 K N -1.242 119.046 120.400 -0.186 0.000 2.063 321 K HA -0.149 4.175 4.320 0.006 0.000 0.208 321 K C 1.786 178.412 176.600 0.044 0.000 1.048 321 K CA 2.026 58.272 56.287 -0.068 0.000 0.928 321 K CB -0.228 32.223 32.500 -0.083 0.000 0.713 321 K HN 0.320 nan 8.250 nan 0.000 0.442 322 V N 0.362 120.284 119.914 0.012 0.000 2.323 322 V HA -0.201 3.923 4.120 0.006 0.000 0.244 322 V C 2.298 178.430 176.094 0.063 0.000 1.041 322 V CA 1.530 63.856 62.300 0.043 0.000 1.025 322 V CB -0.166 31.670 31.823 0.021 0.000 0.656 322 V HN 0.185 nan 8.190 nan 0.000 0.451 323 V N -0.519 119.414 119.914 0.030 0.000 2.287 323 V HA -0.314 3.810 4.120 0.006 0.000 0.248 323 V C 2.551 178.718 176.094 0.122 0.000 1.053 323 V CA 2.015 64.339 62.300 0.039 0.000 1.027 323 V CB -0.683 31.122 31.823 -0.030 0.000 0.646 323 V HN 0.398 nan 8.190 nan 0.000 0.447 324 M N -0.498 119.178 119.600 0.126 0.000 2.149 324 M HA -0.152 4.332 4.480 0.006 0.000 0.261 324 M C 2.336 178.831 176.300 0.325 0.000 1.064 324 M CA 1.719 57.142 55.300 0.205 0.000 1.102 324 M CB -1.163 31.492 32.600 0.093 0.000 1.369 324 M HN 0.325 nan 8.290 nan 0.000 0.408 325 R N -0.301 120.368 120.500 0.281 0.000 2.075 325 R HA -0.118 4.226 4.340 0.006 0.000 0.232 325 R C 2.285 178.703 176.300 0.197 0.000 1.126 325 R CA 1.157 57.408 56.100 0.252 0.000 0.963 325 R CB -0.219 30.194 30.300 0.189 0.000 0.858 325 R HN 0.336 nan 8.270 nan 0.000 0.435 326 K N -0.230 120.277 120.400 0.177 0.000 2.155 326 K HA -0.107 4.217 4.320 0.006 0.000 0.203 326 K C 1.764 178.489 176.600 0.207 0.000 1.052 326 K CA 0.771 57.149 56.287 0.152 0.000 0.948 326 K CB -0.015 32.556 32.500 0.118 0.000 0.728 326 K HN -0.010 nan 8.250 nan 0.000 0.448 327 F N 1.188 121.174 119.950 0.061 0.000 2.037 327 F HA 0.035 4.565 4.527 0.005 0.000 0.291 327 F C 0.537 176.374 175.800 0.063 0.000 1.137 327 F CA 1.124 59.152 58.000 0.046 0.000 1.178 327 F CB -0.014 39.008 39.000 0.036 0.000 0.995 327 F HN -0.185 nan 8.300 nan 0.000 0.472 328 L N 1.989 123.183 121.223 -0.049 0.000 2.506 328 L HA 0.332 4.676 4.340 0.006 0.000 0.247 328 L C -2.470 174.484 176.870 0.140 0.000 1.141 328 L CA -1.956 52.822 54.840 -0.104 0.000 0.973 328 L CB 0.637 42.637 42.059 -0.099 0.000 1.319 328 L HN -0.073 nan 8.230 nan 0.000 0.455 329 P HA -0.069 nan 4.420 nan 0.000 0.255 329 P C 0.835 178.191 177.300 0.093 0.000 1.173 329 P CA 0.321 63.485 63.100 0.105 0.000 0.780 329 P CB 1.077 32.813 31.700 0.060 0.000 0.758 330 A N 5.832 128.720 122.820 0.113 0.000 1.869 330 A HA -0.278 4.046 4.320 0.006 0.000 0.218 330 A C 2.225 179.811 177.584 0.004 0.000 1.203 330 A CA 2.461 54.526 52.037 0.047 0.000 0.638 330 A CB -1.616 17.389 19.000 0.009 0.000 0.831 330 A HN 0.487 nan 8.150 nan 0.000 0.450 331 A N -0.051 122.776 122.820 0.011 0.000 1.927 331 A HA -0.289 4.035 4.320 0.006 0.000 0.220 331 A C 1.694 179.272 177.584 -0.010 0.000 1.185 331 A CA 2.333 54.369 52.037 -0.002 0.000 0.639 331 A CB -1.003 18.005 19.000 0.013 0.000 0.820 331 A HN 0.610 nan 8.150 nan 0.000 0.451 332 D N -0.245 120.155 120.400 -0.001 0.000 2.144 332 D HA 0.048 4.692 4.640 0.006 0.000 0.199 332 D C 2.197 178.483 176.300 -0.024 0.000 0.984 332 D CA 1.361 55.353 54.000 -0.013 0.000 0.834 332 D CB -0.168 40.627 40.800 -0.008 0.000 0.955 332 D HN 0.489 nan 8.370 nan 0.000 0.465 333 A N 0.432 123.242 122.820 -0.018 0.000 1.902 333 A HA -0.134 4.190 4.320 0.006 0.000 0.217 333 A C 2.128 179.681 177.584 -0.052 0.000 1.181 333 A CA 1.001 53.024 52.037 -0.023 0.000 0.623 333 A CB -0.713 18.276 19.000 -0.018 0.000 0.818 333 A HN 0.183 nan 8.150 nan 0.000 0.443 334 L N -0.826 120.358 121.223 -0.064 0.000 2.005 334 L HA -0.131 4.212 4.340 0.006 0.000 0.207 334 L C 2.557 179.387 176.870 -0.067 0.000 1.072 334 L CA 1.032 55.827 54.840 -0.076 0.000 0.744 334 L CB -0.816 41.198 42.059 -0.075 0.000 0.895 334 L HN 0.317 nan 8.230 nan 0.000 0.433 335 L N -0.025 121.163 121.223 -0.058 0.000 2.081 335 L HA -0.256 4.087 4.340 0.006 0.000 0.212 335 L C 2.740 179.549 176.870 -0.101 0.000 1.080 335 L CA 1.405 56.203 54.840 -0.070 0.000 0.754 335 L CB -0.548 41.478 42.059 -0.056 0.000 0.893 335 L HN 0.405 nan 8.230 nan 0.000 0.433 336 E N 0.311 120.461 120.200 -0.083 0.000 2.051 336 E HA -0.243 4.111 4.350 0.006 0.000 0.192 336 E C 2.324 178.869 176.600 -0.091 0.000 0.991 336 E CA 1.326 57.670 56.400 -0.093 0.000 0.799 336 E CB -0.016 29.654 29.700 -0.051 0.000 0.748 336 E HN 0.472 nan 8.360 nan 0.000 0.449 337 M N 0.230 119.807 119.600 -0.038 0.000 2.175 337 M HA -0.106 4.378 4.480 0.006 0.000 0.264 337 M C 2.380 178.672 176.300 -0.013 0.000 1.063 337 M CA 1.015 56.340 55.300 0.042 0.000 1.119 337 M CB -0.216 32.382 32.600 -0.005 0.000 1.377 337 M HN 0.183 nan 8.290 nan 0.000 0.415 338 I N -0.337 120.190 120.570 -0.072 0.000 2.142 338 I HA -0.256 3.917 4.170 0.006 0.000 0.240 338 I C 2.343 178.367 176.117 -0.156 0.000 1.078 338 I CA 1.193 62.441 61.300 -0.087 0.000 1.343 338 I CB -0.406 37.546 38.000 -0.079 0.000 1.046 338 I HN 0.054 nan 8.210 nan 0.000 0.405 339 V N 0.958 120.720 119.914 -0.254 0.000 2.307 339 V HA -0.229 3.895 4.120 0.006 0.000 0.245 339 V C 2.238 178.042 176.094 -0.484 0.000 1.045 339 V CA 1.608 63.617 62.300 -0.484 0.000 1.024 339 V CB -0.448 30.970 31.823 -0.674 0.000 0.651 339 V HN 0.366 nan 8.190 nan 0.000 0.449 340 L N -1.114 119.866 121.223 -0.405 0.000 2.341 340 L HA 0.008 4.352 4.340 0.006 0.000 0.214 340 L C 2.213 178.716 176.870 -0.613 0.000 1.115 340 L CA 0.969 55.508 54.840 -0.503 0.000 0.820 340 L CB -0.408 41.316 42.059 -0.558 0.000 0.944 340 L HN 0.451 nan 8.230 nan 0.000 0.452 341 H N -1.571 117.431 119.070 -0.114 0.000 3.205 341 H HA 0.327 4.887 4.556 0.007 0.000 0.252 341 H C 0.644 175.935 175.328 -0.061 0.000 1.015 341 H CA -0.257 55.745 56.048 -0.077 0.000 1.192 341 H CB 0.877 30.593 29.762 -0.077 0.000 1.474 341 H HN 0.120 nan 8.280 nan 0.000 0.484 342 L N 4.899 126.134 121.223 0.020 0.000 2.380 342 L HA 0.186 4.530 4.340 0.006 0.000 0.273 342 L C -1.978 174.900 176.870 0.013 0.000 1.138 342 L CA -1.689 53.158 54.840 0.013 0.000 0.832 342 L CB 0.805 42.857 42.059 -0.012 0.000 1.124 342 L HN -0.106 nan 8.230 nan 0.000 0.454 343 P HA 0.062 nan 4.420 nan 0.000 0.276 343 P C -0.485 176.838 177.300 0.039 0.000 1.230 343 P CA -0.392 62.747 63.100 0.066 0.000 0.776 343 P CB 1.199 32.980 31.700 0.135 0.000 0.888 344 S N 3.178 118.901 115.700 0.038 0.000 2.634 344 S HA 0.239 4.713 4.470 0.006 0.000 0.261 344 S C -1.693 172.912 174.600 0.008 0.000 1.271 344 S CA -1.024 57.197 58.200 0.034 0.000 0.985 344 S CB -0.413 62.820 63.200 0.055 0.000 0.968 344 S HN 0.254 nan 8.310 nan 0.000 0.568 345 P HA -0.008 nan 4.420 nan 0.000 0.225 345 P C 1.182 178.466 177.300 -0.028 0.000 1.148 345 P CA 0.448 63.529 63.100 -0.032 0.000 0.779 345 P CB -0.119 31.547 31.700 -0.056 0.000 0.780 346 V N -0.951 118.955 119.914 -0.013 0.000 2.379 346 V HA -0.160 3.963 4.120 0.006 0.000 0.243 346 V C 2.205 178.288 176.094 -0.018 0.000 1.035 346 V CA 2.362 64.656 62.300 -0.011 0.000 1.035 346 V CB -1.851 29.974 31.823 0.005 0.000 0.673 346 V HN 0.161 nan 8.190 nan 0.000 0.457 347 T N 0.885 115.442 114.554 0.004 0.000 2.777 347 T HA -0.085 4.269 4.350 0.006 0.000 0.266 347 T C 2.067 176.732 174.700 -0.058 0.000 1.040 347 T CA 1.542 63.670 62.100 0.047 0.000 1.141 347 T CB -0.423 68.512 68.868 0.113 0.000 0.868 347 T HN 0.513 nan 8.240 nan 0.000 0.444 348 A N 1.630 124.316 122.820 -0.224 0.000 1.897 348 A HA -0.070 4.254 4.320 0.006 0.000 0.215 348 A C 2.343 179.418 177.584 -0.849 0.000 1.181 348 A CA 1.003 52.566 52.037 -0.790 0.000 0.620 348 A CB -0.598 18.215 19.000 -0.311 0.000 0.821 348 A HN 0.520 nan 8.150 nan 0.000 0.443 349 Q N -0.440 119.158 119.800 -0.336 0.000 2.226 349 Q HA -0.097 4.247 4.340 0.006 0.000 0.204 349 Q C 2.304 178.177 176.000 -0.212 0.000 0.975 349 Q CA 1.086 56.772 55.803 -0.196 0.000 0.866 349 Q CB -0.388 28.346 28.738 -0.006 0.000 0.915 349 Q HN 0.689 nan 8.270 nan 0.000 0.440 350 A N 1.053 123.755 122.820 -0.197 0.000 1.933 350 A HA -0.193 4.131 4.320 0.006 0.000 0.218 350 A C 1.672 179.244 177.584 -0.020 0.000 1.175 350 A CA 1.494 53.489 52.037 -0.071 0.000 0.628 350 A CB -0.595 18.411 19.000 0.009 0.000 0.814 350 A HN 0.634 nan 8.150 nan 0.000 0.444 351 Y N -3.671 116.628 120.300 -0.001 0.000 2.467 351 Y HA 0.559 5.113 4.550 0.007 0.000 0.250 351 Y C 1.761 177.652 175.900 -0.015 0.000 1.155 351 Y CA 0.009 58.105 58.100 -0.007 0.000 1.249 351 Y CB -0.036 38.423 38.460 -0.002 0.000 1.146 351 Y HN 0.094 nan 8.280 nan 0.000 0.524 352 R N 0.133 120.516 120.500 -0.195 0.000 2.279 352 R HA 0.353 4.696 4.340 0.006 0.000 0.195 352 R C 2.255 178.467 176.300 -0.148 0.000 0.905 352 R CA 0.753 56.775 56.100 -0.129 0.000 1.044 352 R CB 0.057 30.227 30.300 -0.217 0.000 1.056 352 R HN 0.361 nan 8.270 nan 0.000 0.535 353 A N 1.671 124.394 122.820 -0.161 0.000 1.859 353 A HA -0.277 4.047 4.320 0.006 0.000 0.218 353 A C 1.744 179.267 177.584 -0.102 0.000 1.209 353 A CA 1.927 53.860 52.037 -0.173 0.000 0.639 353 A CB -0.645 18.274 19.000 -0.136 0.000 0.835 353 A HN 0.393 nan 8.150 nan 0.000 0.450 354 E N -1.001 119.174 120.200 -0.043 0.000 2.114 354 E HA -0.314 4.040 4.350 0.006 0.000 0.199 354 E C 2.272 178.875 176.600 0.004 0.000 1.008 354 E CA 1.553 57.957 56.400 0.006 0.000 0.810 354 E CB -0.213 29.495 29.700 0.013 0.000 0.739 354 E HN 0.806 nan 8.360 nan 0.000 0.456 355 Q N 0.464 120.250 119.800 -0.022 0.000 2.170 355 Q HA -0.129 4.215 4.340 0.006 0.000 0.203 355 Q C 1.498 177.461 176.000 -0.061 0.000 0.976 355 Q CA 0.893 56.679 55.803 -0.029 0.000 0.858 355 Q CB 0.144 28.870 28.738 -0.021 0.000 0.907 355 Q HN 0.310 nan 8.270 nan 0.000 0.433 356 L N 0.431 121.582 121.223 -0.118 0.000 2.728 356 L HA 0.219 4.563 4.340 0.006 0.000 0.235 356 L C -0.684 176.158 176.870 -0.047 0.000 1.197 356 L CA -0.305 54.425 54.840 -0.183 0.000 0.992 356 L CB 0.271 42.059 42.059 -0.452 0.000 1.263 356 L HN 0.126 nan 8.230 nan 0.000 0.484 357 Y N 0.190 120.410 120.300 -0.133 0.000 2.333 357 Y HA 0.236 4.790 4.550 0.006 0.000 0.324 357 Y C 0.612 176.477 175.900 -0.058 0.000 1.033 357 Y CA -1.095 56.957 58.100 -0.080 0.000 1.224 357 Y CB 1.027 39.434 38.460 -0.088 0.000 1.120 357 Y HN 0.084 nan 8.280 nan 0.000 0.457 358 E N 3.316 123.309 120.200 -0.345 0.000 2.382 358 E HA 0.162 4.516 4.350 0.006 0.000 0.190 358 E C 0.695 176.962 176.600 -0.556 0.000 1.125 358 E CA 0.116 56.336 56.400 -0.301 0.000 0.929 358 E CB 0.259 29.874 29.700 -0.142 0.000 1.053 358 E HN 0.778 nan 8.360 nan 0.000 0.475 359 G N 1.438 109.620 108.800 -1.030 0.000 2.795 359 G HA2 0.401 4.365 3.960 0.006 0.000 0.267 359 G HA3 0.401 4.365 3.960 0.006 0.000 0.267 359 G C -2.682 171.998 174.900 -0.367 0.000 1.362 359 G CA -1.347 43.053 45.100 -1.166 0.000 1.048 359 G HN -0.095 nan 8.290 nan 0.000 0.547 360 P HA 0.305 nan 4.420 nan 0.000 0.275 360 P C 0.612 177.978 177.300 0.109 0.000 1.227 360 P CA 0.133 63.229 63.100 -0.006 0.000 0.781 360 P CB 1.499 33.199 31.700 0.000 0.000 0.906 361 A N 3.525 126.377 122.820 0.054 0.000 1.883 361 A HA -0.238 4.086 4.320 0.006 0.000 0.217 361 A C 1.451 179.048 177.584 0.022 0.000 1.186 361 A CA 2.318 54.383 52.037 0.047 0.000 0.624 361 A CB -1.456 17.556 19.000 0.021 0.000 0.822 361 A HN 0.653 nan 8.150 nan 0.000 0.444 362 D N -0.064 120.346 120.400 0.017 0.000 2.347 362 D HA 0.060 4.704 4.640 0.006 0.000 0.215 362 D C 0.576 176.879 176.300 0.005 0.000 0.976 362 D CA 0.409 54.412 54.000 0.005 0.000 0.884 362 D CB -0.671 40.133 40.800 0.007 0.000 0.915 362 D HN 0.505 nan 8.370 nan 0.000 0.526 363 D N -0.149 120.270 120.400 0.032 0.000 2.622 363 D HA -0.007 4.637 4.640 0.006 0.000 0.227 363 D C 1.515 177.803 176.300 -0.019 0.000 1.159 363 D CA 0.834 54.863 54.000 0.049 0.000 0.865 363 D CB 0.769 41.675 40.800 0.176 0.000 1.207 363 D HN 0.094 nan 8.370 nan 0.000 0.492 364 A N 3.447 126.267 122.820 0.001 0.000 1.948 364 A HA -0.286 4.038 4.320 0.006 0.000 0.220 364 A C 1.890 179.428 177.584 -0.076 0.000 1.177 364 A CA 2.103 54.127 52.037 -0.022 0.000 0.636 364 A CB -0.663 18.341 19.000 0.006 0.000 0.815 364 A HN 0.775 nan 8.150 nan 0.000 0.449 365 N N -0.992 117.632 118.700 -0.126 0.000 2.207 365 N HA -0.104 4.640 4.740 0.006 0.000 0.182 365 N C 1.684 176.932 175.510 -0.437 0.000 1.020 365 N CA 1.245 54.147 53.050 -0.245 0.000 0.858 365 N CB -0.708 37.633 38.487 -0.244 0.000 0.991 365 N HN 0.565 nan 8.380 nan 0.000 0.427 366 C N 0.757 119.667 119.300 -0.649 0.000 2.413 366 C HA -0.034 4.429 4.460 0.006 0.000 0.277 366 C C 2.265 177.107 174.990 -0.247 0.000 1.265 366 C CA 0.562 59.248 59.018 -0.552 0.000 1.752 366 C CB -1.204 26.337 27.740 -0.332 0.000 1.998 366 C HN 0.323 nan 8.230 nan 0.000 0.489 367 I N 1.760 122.231 120.570 -0.166 0.000 2.252 367 I HA -0.079 4.095 4.170 0.006 0.000 0.245 367 I C 2.918 178.983 176.117 -0.087 0.000 1.102 367 I CA 1.819 63.062 61.300 -0.094 0.000 1.385 367 I CB -1.898 36.066 38.000 -0.060 0.000 1.064 367 I HN 0.410 nan 8.210 nan 0.000 0.414 368 A N 0.911 123.672 122.820 -0.099 0.000 2.070 368 A HA -0.137 4.187 4.320 0.006 0.000 0.220 368 A C 2.217 179.767 177.584 -0.057 0.000 1.159 368 A CA 1.116 53.112 52.037 -0.067 0.000 0.656 368 A CB -0.466 18.497 19.000 -0.061 0.000 0.800 368 A HN 0.293 nan 8.150 nan 0.000 0.453 369 I N -0.295 120.216 120.570 -0.098 0.000 2.277 369 I HA -0.149 4.024 4.170 0.006 0.000 0.243 369 I C 2.155 178.246 176.117 -0.044 0.000 1.094 369 I CA 1.302 62.565 61.300 -0.062 0.000 1.393 369 I CB -1.225 36.680 38.000 -0.159 0.000 1.078 369 I HN 0.350 nan 8.210 nan 0.000 0.417 370 K N 1.003 121.360 120.400 -0.071 0.000 2.063 370 K HA -0.139 4.185 4.320 0.006 0.000 0.208 370 K C 1.344 177.924 176.600 -0.032 0.000 1.048 370 K CA 1.238 57.493 56.287 -0.054 0.000 0.928 370 K CB -0.174 32.298 32.500 -0.046 0.000 0.713 370 K HN 0.356 nan 8.250 nan 0.000 0.442 371 N N 0.605 119.289 118.700 -0.028 0.000 2.383 371 N HA -0.034 4.710 4.740 0.006 0.000 0.192 371 N C 0.105 175.609 175.510 -0.011 0.000 1.141 371 N CA 0.267 53.307 53.050 -0.017 0.000 0.851 371 N CB -0.070 38.407 38.487 -0.017 0.000 0.976 371 N HN 0.166 nan 8.380 nan 0.000 0.465 372 C N 2.408 121.706 119.300 -0.004 0.000 3.744 372 C HA -0.239 4.224 4.460 0.006 0.000 0.288 372 C C 0.190 175.177 174.990 -0.005 0.000 1.423 372 C CA -0.256 58.765 59.018 0.006 0.000 2.060 372 C CB -2.504 25.235 27.740 -0.001 0.000 1.337 372 C HN 0.396 nan 8.230 nan 0.000 0.640 373 D N 1.526 121.922 120.400 -0.007 0.000 2.338 373 D HA 0.257 4.901 4.640 0.006 0.000 0.255 373 D C -0.303 175.991 176.300 -0.010 0.000 1.237 373 D CA -1.931 52.062 54.000 -0.011 0.000 0.883 373 D CB 0.896 41.687 40.800 -0.014 0.000 1.087 373 D HN 0.412 nan 8.370 nan 0.000 0.485 374 P HA -0.075 nan 4.420 nan 0.000 0.237 374 P C 0.469 177.761 177.300 -0.013 0.000 1.178 374 P CA 0.470 63.561 63.100 -0.015 0.000 0.766 374 P CB 0.423 32.111 31.700 -0.020 0.000 0.876 375 K N -0.538 119.856 120.400 -0.011 0.000 2.334 375 K HA 0.235 4.559 4.320 0.006 0.000 0.195 375 K C 1.413 178.008 176.600 -0.008 0.000 1.045 375 K CA 0.102 56.383 56.287 -0.010 0.000 1.004 375 K CB -0.064 32.430 32.500 -0.010 0.000 0.837 375 K HN 0.068 nan 8.250 nan 0.000 0.510 376 A N 2.018 124.834 122.820 -0.008 0.000 2.327 376 A HA 0.092 4.416 4.320 0.006 0.000 0.255 376 A C -0.081 177.502 177.584 -0.002 0.000 1.099 376 A CA -0.344 51.689 52.037 -0.007 0.000 0.801 376 A CB 0.079 19.071 19.000 -0.014 0.000 1.062 376 A HN 0.134 nan 8.150 nan 0.000 0.496 377 D N -0.276 120.125 120.400 0.002 0.000 2.515 377 D HA 0.082 4.726 4.640 0.006 0.000 0.232 377 D C 0.215 176.525 176.300 0.017 0.000 1.157 377 D CA 0.345 54.352 54.000 0.011 0.000 0.871 377 D CB 0.284 41.096 40.800 0.020 0.000 1.200 377 D HN 0.376 nan 8.370 nan 0.000 0.466 378 L N 2.491 123.726 121.223 0.021 0.000 2.514 378 L HA -0.007 4.337 4.340 0.006 0.000 0.280 378 L C 0.125 177.029 176.870 0.057 0.000 1.223 378 L CA 0.739 55.597 54.840 0.030 0.000 0.864 378 L CB 0.203 42.274 42.059 0.021 0.000 1.118 378 L HN 0.297 nan 8.230 nan 0.000 0.494 379 M N 6.957 126.606 119.600 0.081 0.000 3.093 379 M HA 0.262 4.746 4.480 0.006 0.000 0.336 379 M C -1.068 175.352 176.300 0.200 0.000 1.637 379 M CA -0.120 55.263 55.300 0.139 0.000 0.543 379 M CB 0.507 33.180 32.600 0.121 0.000 1.571 379 M HN 0.499 nan 8.290 nan 0.000 0.431 380 L N 1.030 122.345 121.223 0.154 0.000 2.292 380 L HA 0.440 4.784 4.340 0.006 0.000 0.284 380 L C -1.282 175.725 176.870 0.229 0.000 1.065 380 L CA -0.567 54.359 54.840 0.144 0.000 0.806 380 L CB 1.210 43.299 42.059 0.049 0.000 1.175 380 L HN 0.441 nan 8.230 nan 0.000 0.431 381 Y N 4.358 124.740 120.300 0.137 0.000 2.328 381 Y HA 0.410 4.964 4.550 0.006 0.000 0.337 381 Y C -0.554 175.383 175.900 0.062 0.000 1.008 381 Y CA -0.584 57.615 58.100 0.165 0.000 1.129 381 Y CB 1.470 40.130 38.460 0.334 0.000 1.185 381 Y HN 0.251 nan 8.280 nan 0.000 0.476 382 V N 6.910 126.585 119.914 -0.398 0.000 2.320 382 V HA 0.080 4.204 4.120 0.006 0.000 0.265 382 V C 0.771 176.622 176.094 -0.405 0.000 1.048 382 V CA 0.424 62.560 62.300 -0.273 0.000 0.865 382 V CB 0.391 32.122 31.823 -0.153 0.000 1.043 382 V HN 0.995 nan 8.190 nan 0.000 0.474 383 S N 3.968 119.606 115.700 -0.104 0.000 2.428 383 S HA 0.024 4.498 4.470 0.006 0.000 0.230 383 S C 0.571 175.232 174.600 0.102 0.000 1.014 383 S CA 0.418 58.689 58.200 0.118 0.000 0.957 383 S CB -0.090 63.331 63.200 0.368 0.000 0.784 383 S HN 0.875 nan 8.310 nan 0.000 0.499 384 K N -1.050 119.422 120.400 0.120 0.000 2.642 384 K HA 0.495 4.819 4.320 0.006 0.000 0.290 384 K C -1.600 175.049 176.600 0.083 0.000 1.006 384 K CA -0.994 55.329 56.287 0.061 0.000 0.869 384 K CB 0.572 33.124 32.500 0.087 0.000 1.499 384 K HN -0.104 nan 8.250 nan 0.000 0.403 385 M N 2.204 121.805 119.600 0.002 0.000 2.205 385 M HA 0.391 4.875 4.480 0.006 0.000 0.344 385 M C -0.996 175.419 176.300 0.192 0.000 1.085 385 M CA -0.998 54.344 55.300 0.071 0.000 1.001 385 M CB 1.262 33.795 32.600 -0.111 0.000 1.626 385 M HN 0.585 nan 8.290 nan 0.000 0.442 386 V N 6.362 126.440 119.914 0.274 0.000 2.495 386 V HA 0.600 4.723 4.120 0.006 0.000 0.298 386 V C -2.430 173.696 176.094 0.054 0.000 1.031 386 V CA -2.231 60.178 62.300 0.182 0.000 0.871 386 V CB 2.441 34.282 31.823 0.031 0.000 0.988 386 V HN 0.594 nan 8.190 nan 0.000 0.432 387 P HA 0.191 nan 4.420 nan 0.000 0.264 387 P C -0.537 176.458 177.300 -0.507 0.000 1.193 387 P CA 0.519 63.250 63.100 -0.615 0.000 0.763 387 P CB 0.350 31.836 31.700 -0.357 0.000 0.810 388 T N -1.557 112.604 114.554 -0.655 0.000 2.930 388 T HA 0.383 4.737 4.350 0.006 0.000 0.290 388 T C 1.145 175.615 174.700 -0.383 0.000 1.052 388 T CA -0.242 61.514 62.100 -0.573 0.000 1.017 388 T CB 1.256 69.508 68.868 -1.027 0.000 1.137 388 T HN 0.219 nan 8.240 nan 0.000 0.511 389 S N -0.472 115.080 115.700 -0.246 0.000 2.496 389 S HA 0.024 4.497 4.470 0.006 0.000 0.224 389 S C 0.644 175.170 174.600 -0.123 0.000 0.996 389 S CA 0.431 58.543 58.200 -0.147 0.000 0.927 389 S CB -0.650 62.507 63.200 -0.072 0.000 0.774 389 S HN 0.835 nan 8.310 nan 0.000 0.524 390 D N 2.623 122.941 120.400 -0.136 0.000 2.441 390 D HA 0.271 4.914 4.640 0.006 0.000 0.243 390 D C 0.138 176.386 176.300 -0.087 0.000 1.257 390 D CA 0.206 54.169 54.000 -0.063 0.000 1.027 390 D CB -0.602 40.216 40.800 0.030 0.000 1.084 390 D HN 0.436 nan 8.370 nan 0.000 0.514 391 K N 1.205 121.559 120.400 -0.077 0.000 1.462 391 K HA -0.205 4.119 4.320 0.006 0.000 0.669 391 K C 0.653 177.174 176.600 -0.132 0.000 1.902 391 K CA 1.087 57.330 56.287 -0.074 0.000 1.050 391 K CB -1.191 31.285 32.500 -0.040 0.000 1.861 391 K HN 0.424 nan 8.250 nan 0.000 0.563 392 G N 1.227 109.962 108.800 -0.108 0.000 3.327 392 G HA2 0.082 4.046 3.960 0.006 0.000 0.240 392 G HA3 0.082 4.046 3.960 0.006 0.000 0.240 392 G C -0.055 174.731 174.900 -0.190 0.000 1.222 392 G CA -0.138 44.871 45.100 -0.152 0.000 0.871 392 G HN 0.232 nan 8.290 nan 0.000 0.525 393 R N -0.071 120.315 120.500 -0.190 0.000 2.594 393 R HA 0.332 4.676 4.340 0.006 0.000 0.272 393 R C -1.021 175.073 176.300 -0.342 0.000 1.074 393 R CA -0.209 55.823 56.100 -0.113 0.000 1.105 393 R CB 0.404 30.697 30.300 -0.012 0.000 1.008 393 R HN 0.128 nan 8.270 nan 0.000 0.472 394 F N 1.364 121.275 119.950 -0.066 0.000 2.520 394 F HA 0.320 4.850 4.527 0.006 0.000 0.322 394 F C -0.254 175.636 175.800 0.150 0.000 1.103 394 F CA -0.818 57.142 58.000 -0.066 0.000 0.926 394 F CB 1.246 40.216 39.000 -0.050 0.000 1.154 394 F HN 0.220 nan 8.300 nan 0.000 0.453 395 Y N 1.654 122.042 120.300 0.147 0.000 2.342 395 Y HA 0.601 5.155 4.550 0.006 0.000 0.334 395 Y C 0.326 176.310 175.900 0.140 0.000 1.067 395 Y CA -2.308 55.860 58.100 0.112 0.000 1.128 395 Y CB 1.040 39.547 38.460 0.079 0.000 1.200 395 Y HN 0.620 nan 8.280 nan 0.000 0.464 396 A N 4.531 127.508 122.820 0.261 0.000 2.409 396 A HA 0.366 4.690 4.320 0.006 0.000 0.267 396 A C -0.962 176.743 177.584 0.202 0.000 1.127 396 A CA -0.191 51.951 52.037 0.175 0.000 0.795 396 A CB -0.543 18.512 19.000 0.092 0.000 1.061 396 A HN 0.570 nan 8.150 nan 0.000 0.502 397 F N 3.088 123.073 119.950 0.058 0.000 2.420 397 F HA 0.675 5.206 4.527 0.006 0.000 0.342 397 F C 0.507 176.332 175.800 0.042 0.000 1.113 397 F CA 0.552 58.584 58.000 0.052 0.000 1.059 397 F CB 1.366 40.397 39.000 0.052 0.000 1.128 397 F HN 0.848 nan 8.300 nan 0.000 0.475 398 G N 5.102 113.435 108.800 -0.779 0.000 2.494 398 G HA2 0.427 4.391 3.960 0.006 0.000 0.308 398 G HA3 0.427 4.391 3.960 0.006 0.000 0.308 398 G C -2.042 172.569 174.900 -0.481 0.000 1.263 398 G CA -1.173 43.617 45.100 -0.517 0.000 0.840 398 G HN 0.774 nan 8.290 nan 0.000 0.479 399 R N -0.522 119.834 120.500 -0.240 0.000 2.621 399 R HA 0.588 4.932 4.340 0.006 0.000 0.284 399 R C -1.322 174.795 176.300 -0.305 0.000 0.998 399 R CA -0.567 55.321 56.100 -0.355 0.000 0.895 399 R CB 2.226 32.187 30.300 -0.565 0.000 1.195 399 R HN 0.378 nan 8.270 nan 0.000 0.450 400 V N 6.247 125.988 119.914 -0.289 0.000 2.338 400 V HA 0.163 4.287 4.120 0.006 0.000 0.255 400 V C 0.394 176.363 176.094 -0.208 0.000 1.082 400 V CA 0.010 62.213 62.300 -0.162 0.000 0.951 400 V CB 0.201 31.959 31.823 -0.109 0.000 1.102 400 V HN 0.765 nan 8.190 nan 0.000 0.489 401 F N 2.651 122.596 119.950 -0.009 0.000 2.710 401 F HA 0.461 4.991 4.527 0.006 0.000 0.298 401 F C 1.255 177.031 175.800 -0.041 0.000 1.137 401 F CA 0.770 58.752 58.000 -0.031 0.000 1.444 401 F CB 0.227 39.210 39.000 -0.028 0.000 1.111 401 F HN 0.589 nan 8.300 nan 0.000 0.580 402 A N -1.345 121.542 122.820 0.111 0.000 2.597 402 A HA 0.582 4.906 4.320 0.006 0.000 0.292 402 A C 0.189 177.788 177.584 0.024 0.000 1.057 402 A CA -0.356 51.711 52.037 0.050 0.000 0.674 402 A CB 0.106 19.128 19.000 0.036 0.000 1.278 402 A HN 0.668 nan 8.150 nan 0.000 0.416 403 G N -0.119 108.685 108.800 0.006 0.000 2.740 403 G HA2 0.393 4.357 3.960 0.006 0.000 0.250 403 G HA3 0.393 4.357 3.960 0.006 0.000 0.250 403 G C 0.242 175.137 174.900 -0.009 0.000 1.358 403 G CA 0.615 45.715 45.100 -0.001 0.000 0.897 403 G HN 2.847 nan 8.290 nan 0.000 0.567 404 T N -3.331 111.216 114.554 -0.012 0.000 2.881 404 T HA 0.632 4.986 4.350 0.006 0.000 0.290 404 T C -0.199 174.490 174.700 -0.019 0.000 1.000 404 T CA 0.117 62.205 62.100 -0.020 0.000 0.978 404 T CB 1.805 70.659 68.868 -0.023 0.000 0.997 404 T HN 2.016 nan 8.240 nan 0.000 0.443 405 V N 3.640 123.540 119.914 -0.024 0.000 2.546 405 V HA 0.639 4.763 4.120 0.006 0.000 0.284 405 V C -0.601 175.477 176.094 -0.026 0.000 1.050 405 V CA -0.191 62.095 62.300 -0.023 0.000 0.981 405 V CB 0.765 32.572 31.823 -0.027 0.000 0.990 405 V HN 1.000 nan 8.190 nan 0.000 0.474 406 K N 4.218 124.604 120.400 -0.024 0.000 2.464 406 K HA 0.469 4.793 4.320 0.006 0.000 0.253 406 K C -0.578 176.007 176.600 -0.025 0.000 0.933 406 K CA -0.625 55.648 56.287 -0.024 0.000 0.801 406 K CB 2.103 34.591 32.500 -0.021 0.000 1.271 406 K HN 0.609 nan 8.250 nan 0.000 0.430 407 S N 0.636 116.320 115.700 -0.027 0.000 2.552 407 S HA 0.204 4.678 4.470 0.006 0.000 0.289 407 S C 1.258 175.845 174.600 -0.022 0.000 1.304 407 S CA 1.207 59.391 58.200 -0.028 0.000 1.063 407 S CB 0.533 63.716 63.200 -0.029 0.000 0.848 407 S HN 0.968 nan 8.310 nan 0.000 0.499 408 G N 2.265 111.053 108.800 -0.020 0.000 2.579 408 G HA2 -0.327 3.637 3.960 0.006 0.000 0.222 408 G HA3 -0.327 3.637 3.960 0.006 0.000 0.222 408 G C 0.234 175.124 174.900 -0.017 0.000 1.201 408 G CA 0.269 45.360 45.100 -0.015 0.000 0.710 408 G HN 0.874 nan 8.290 nan 0.000 0.516 409 Q N 1.950 121.739 119.800 -0.018 0.000 2.431 409 Q HA 0.138 4.482 4.340 0.006 0.000 0.349 409 Q C -0.184 175.802 176.000 -0.023 0.000 1.119 409 Q CA 0.846 56.638 55.803 -0.020 0.000 1.065 409 Q CB 0.198 28.924 28.738 -0.019 0.000 1.149 409 Q HN 0.543 nan 8.270 nan 0.000 0.403 410 K N 3.202 123.586 120.400 -0.026 0.000 2.211 410 K HA 0.443 4.767 4.320 0.006 0.000 0.275 410 K C -1.041 175.535 176.600 -0.041 0.000 1.024 410 K CA -0.631 55.634 56.287 -0.037 0.000 0.887 410 K CB 1.698 34.177 32.500 -0.036 0.000 1.084 410 K HN 0.415 nan 8.250 nan 0.000 0.463 411 V N 2.819 122.700 119.914 -0.055 0.000 3.001 411 V HA 0.397 4.521 4.120 0.006 0.000 0.314 411 V C -0.344 175.701 176.094 -0.082 0.000 1.099 411 V CA -1.201 61.067 62.300 -0.054 0.000 0.989 411 V CB 2.098 33.898 31.823 -0.039 0.000 1.040 411 V HN 0.704 nan 8.190 nan 0.000 0.434 412 R N 2.542 122.994 120.500 -0.080 0.000 2.210 412 R HA 0.524 4.868 4.340 0.006 0.000 0.338 412 R C -0.788 175.437 176.300 -0.125 0.000 1.062 412 R CA -0.178 55.847 56.100 -0.126 0.000 0.902 412 R CB 0.577 30.793 30.300 -0.140 0.000 1.050 412 R HN 0.554 nan 8.270 nan 0.000 0.461 413 I N 4.346 124.850 120.570 -0.109 0.000 2.269 413 I HA 0.044 4.217 4.170 0.006 0.000 0.293 413 I C 0.150 176.235 176.117 -0.053 0.000 1.106 413 I CA -0.145 61.138 61.300 -0.027 0.000 1.248 413 I CB 0.683 38.715 38.000 0.053 0.000 1.444 413 I HN 0.410 nan 8.210 nan 0.000 0.497 414 Q N 5.470 125.184 119.800 -0.144 0.000 2.406 414 Q HA 0.353 4.696 4.340 0.006 0.000 0.242 414 Q C 0.657 176.678 176.000 0.035 0.000 1.036 414 Q CA -0.467 55.185 55.803 -0.251 0.000 0.904 414 Q CB 1.385 29.891 28.738 -0.387 0.000 1.244 414 Q HN 0.763 nan 8.270 nan 0.000 0.478 415 G N 2.982 111.859 108.800 0.128 0.000 2.611 415 G HA2 0.089 4.052 3.960 0.006 0.000 0.273 415 G HA3 0.089 4.052 3.960 0.006 0.000 0.273 415 G C -1.655 173.358 174.900 0.188 0.000 1.305 415 G CA -1.104 44.117 45.100 0.203 0.000 1.010 415 G HN 0.343 nan 8.290 nan 0.000 0.509 416 P HA -0.174 nan 4.420 nan 0.000 0.215 416 P C 1.685 179.035 177.300 0.083 0.000 1.163 416 P CA 1.266 64.422 63.100 0.093 0.000 0.894 416 P CB 0.179 31.867 31.700 -0.020 0.000 0.791 417 N N -2.170 116.582 118.700 0.086 0.000 2.459 417 N HA -0.092 4.652 4.740 0.006 0.000 0.181 417 N C 0.417 175.976 175.510 0.081 0.000 1.046 417 N CA 0.134 53.223 53.050 0.065 0.000 0.904 417 N CB -0.692 37.830 38.487 0.058 0.000 0.964 417 N HN 0.127 nan 8.380 nan 0.000 0.444 418 Y N 0.729 121.024 120.300 -0.008 0.000 2.757 418 Y HA 0.059 4.612 4.550 0.006 0.000 0.344 418 Y C -0.161 175.704 175.900 -0.058 0.000 1.263 418 Y CA 0.301 58.378 58.100 -0.038 0.000 1.493 418 Y CB 0.482 38.925 38.460 -0.029 0.000 1.342 418 Y HN -0.270 nan 8.280 nan 0.000 0.627 419 V N 7.682 126.998 119.914 -0.996 0.000 2.752 419 V HA 0.155 4.278 4.120 0.006 0.000 0.302 419 V C -1.975 173.398 176.094 -1.201 0.000 1.133 419 V CA -1.381 60.426 62.300 -0.821 0.000 0.919 419 V CB 1.931 33.514 31.823 -0.401 0.000 1.026 419 V HN 0.621 nan 8.190 nan 0.000 0.429 420 P HA -0.177 nan 4.420 nan 0.000 0.217 420 P C 1.504 178.594 177.300 -0.350 0.000 1.148 420 P CA 1.955 64.708 63.100 -0.579 0.000 0.834 420 P CB 0.302 31.719 31.700 -0.472 0.000 0.783 421 G N -0.641 107.964 108.800 -0.324 0.000 2.575 421 G HA2 -0.158 3.806 3.960 0.006 0.000 0.215 421 G HA3 -0.158 3.806 3.960 0.006 0.000 0.215 421 G C 0.757 175.563 174.900 -0.157 0.000 1.262 421 G CA 0.787 45.776 45.100 -0.185 0.000 0.807 421 G HN 0.218 nan 8.290 nan 0.000 0.567 422 K N -0.463 119.829 120.400 -0.181 0.000 2.273 422 K HA 0.400 4.724 4.320 0.006 0.000 0.240 422 K C 1.092 177.651 176.600 -0.068 0.000 1.056 422 K CA 0.074 56.295 56.287 -0.110 0.000 0.910 422 K CB 0.502 32.948 32.500 -0.091 0.000 1.196 422 K HN 0.012 nan 8.250 nan 0.000 0.509 423 K N 0.800 121.197 120.400 -0.006 0.000 2.387 423 K HA 0.117 4.440 4.320 0.006 0.000 0.203 423 K C -0.779 175.842 176.600 0.034 0.000 1.030 423 K CA -0.023 56.296 56.287 0.053 0.000 1.099 423 K CB 0.564 33.066 32.500 0.003 0.000 0.863 423 K HN 0.538 nan 8.250 nan 0.000 0.529 424 D N 2.219 122.634 120.400 0.025 0.000 2.455 424 D HA -0.061 4.582 4.640 0.006 0.000 0.241 424 D C 0.441 176.771 176.300 0.051 0.000 1.138 424 D CA 0.853 54.859 54.000 0.009 0.000 0.877 424 D CB 0.686 41.493 40.800 0.012 0.000 1.187 424 D HN 0.104 nan 8.370 nan 0.000 0.451 425 D N 0.473 120.829 120.400 -0.073 0.000 2.870 425 D HA -0.203 4.441 4.640 0.006 0.000 0.228 425 D C -0.797 175.328 176.300 -0.293 0.000 1.147 425 D CA 0.382 54.323 54.000 -0.099 0.000 0.757 425 D CB -0.841 40.025 40.800 0.111 0.000 1.091 425 D HN 0.228 nan 8.370 nan 0.000 0.429 426 L N -0.139 120.749 121.223 -0.558 0.000 2.334 426 L HA 0.677 5.021 4.340 0.006 0.000 0.273 426 L C -0.873 175.442 176.870 -0.925 0.000 1.013 426 L CA -0.469 54.018 54.840 -0.588 0.000 0.816 426 L CB 1.301 43.151 42.059 -0.348 0.000 1.278 426 L HN -0.061 nan 8.230 nan 0.000 0.431 427 F N 5.451 125.285 119.950 -0.193 0.000 2.931 427 F HA 0.400 4.931 4.527 0.006 0.000 0.375 427 F C -0.168 175.426 175.800 -0.342 0.000 1.243 427 F CA -0.490 57.353 58.000 -0.263 0.000 1.206 427 F CB 0.451 39.248 39.000 -0.340 0.000 1.643 427 F HN 0.213 nan 8.300 nan 0.000 0.593 428 I N 3.938 124.424 120.570 -0.139 0.000 2.725 428 I HA 0.008 4.182 4.170 0.006 0.000 0.296 428 I C 0.309 176.324 176.117 -0.169 0.000 1.155 428 I CA 0.516 61.733 61.300 -0.139 0.000 1.450 428 I CB -0.397 37.543 38.000 -0.100 0.000 1.478 428 I HN 0.302 nan 8.210 nan 0.000 0.642 429 K N 4.394 124.654 120.400 -0.235 0.000 2.331 429 K HA 0.833 5.157 4.320 0.006 0.000 0.238 429 K C -0.654 175.865 176.600 -0.136 0.000 1.058 429 K CA -0.962 55.172 56.287 -0.254 0.000 0.871 429 K CB 2.018 34.172 32.500 -0.577 0.000 1.292 429 K HN 0.384 nan 8.250 nan 0.000 0.470 430 A N 1.261 124.033 122.820 -0.080 0.000 2.318 430 A HA 0.505 4.828 4.320 0.006 0.000 0.324 430 A C -0.205 177.371 177.584 -0.013 0.000 1.170 430 A CA -0.705 51.309 52.037 -0.037 0.000 0.810 430 A CB 0.256 19.244 19.000 -0.019 0.000 1.198 430 A HN 0.496 nan 8.150 nan 0.000 0.484 431 I N 3.489 124.050 120.570 -0.016 0.000 2.471 431 I HA -0.027 4.147 4.170 0.006 0.000 0.294 431 I C 1.437 177.547 176.117 -0.012 0.000 1.123 431 I CA 0.628 61.922 61.300 -0.009 0.000 1.336 431 I CB -0.440 37.549 38.000 -0.020 0.000 1.430 431 I HN 0.882 nan 8.210 nan 0.000 0.533 432 Q N 4.822 124.621 119.800 -0.003 0.000 2.014 432 Q HA -0.114 4.230 4.340 0.006 0.000 0.207 432 Q C 0.189 176.166 176.000 -0.038 0.000 0.993 432 Q CA 1.481 57.276 55.803 -0.012 0.000 0.850 432 Q CB 0.212 28.948 28.738 -0.003 0.000 0.916 432 Q HN 0.490 nan 8.270 nan 0.000 0.417 433 R N -0.618 119.839 120.500 -0.071 0.000 2.698 433 R HA 0.471 4.815 4.340 0.006 0.000 0.275 433 R C -1.388 174.846 176.300 -0.109 0.000 1.001 433 R CA -0.621 55.425 56.100 -0.090 0.000 0.896 433 R CB 1.830 32.061 30.300 -0.116 0.000 1.218 433 R HN -0.086 nan 8.270 nan 0.000 0.462 434 V N 2.644 122.510 119.914 -0.079 0.000 2.435 434 V HA 0.603 4.727 4.120 0.006 0.000 0.290 434 V C -0.009 176.047 176.094 -0.063 0.000 1.030 434 V CA -0.694 61.564 62.300 -0.070 0.000 0.881 434 V CB 1.791 33.587 31.823 -0.046 0.000 0.983 434 V HN 0.586 nan 8.190 nan 0.000 0.445 435 V N 3.332 123.212 119.914 -0.057 0.000 3.007 435 V HA 0.663 4.787 4.120 0.006 0.000 0.311 435 V C -0.733 175.379 176.094 0.031 0.000 1.120 435 V CA -1.071 61.218 62.300 -0.017 0.000 0.980 435 V CB 2.098 33.905 31.823 -0.028 0.000 1.033 435 V HN 0.612 nan 8.190 nan 0.000 0.429 436 L N 3.698 124.953 121.223 0.053 0.000 2.290 436 L HA 0.438 4.782 4.340 0.006 0.000 0.284 436 L C 0.363 177.304 176.870 0.119 0.000 1.078 436 L CA -0.516 54.370 54.840 0.078 0.000 0.815 436 L CB 1.342 43.444 42.059 0.071 0.000 1.162 436 L HN 0.581 nan 8.230 nan 0.000 0.435 437 M N 4.678 124.368 119.600 0.151 0.000 3.706 437 M HA 0.145 4.628 4.480 0.006 0.000 0.204 437 M C 0.036 176.404 176.300 0.114 0.000 1.455 437 M CA 0.130 55.529 55.300 0.165 0.000 1.659 437 M CB -0.329 32.433 32.600 0.270 0.000 1.076 437 M HN 0.535 nan 8.290 nan 0.000 0.577 438 M N 1.147 120.815 119.600 0.113 0.000 3.584 438 M HA 0.121 4.605 4.480 0.006 0.000 0.190 438 M C 1.379 177.696 176.300 0.027 0.000 1.679 438 M CA 0.411 55.776 55.300 0.108 0.000 1.744 438 M CB -2.010 30.695 32.600 0.175 0.000 1.228 438 M HN 0.809 nan 8.290 nan 0.000 0.532 439 G N 2.518 111.305 108.800 -0.021 0.000 3.181 439 G HA2 -0.395 3.569 3.960 0.006 0.000 0.322 439 G HA3 -0.395 3.569 3.960 0.006 0.000 0.322 439 G C 1.196 175.962 174.900 -0.223 0.000 1.246 439 G CA 0.676 45.705 45.100 -0.119 0.000 0.989 439 G HN 0.558 nan 8.290 nan 0.000 0.607 440 R N -0.194 120.034 120.500 -0.454 0.000 2.189 440 R HA 0.355 4.699 4.340 0.006 0.000 0.203 440 R C 0.605 176.569 176.300 -0.559 0.000 1.012 440 R CA 0.518 56.249 56.100 -0.615 0.000 1.015 440 R CB 0.063 29.813 30.300 -0.916 0.000 0.938 440 R HN 0.314 nan 8.270 nan 0.000 0.472 441 F N 0.254 120.214 119.950 0.017 0.000 2.450 441 F HA 0.413 4.944 4.527 0.006 0.000 0.328 441 F C 0.402 176.237 175.800 0.059 0.000 1.068 441 F CA -1.753 56.266 58.000 0.032 0.000 1.007 441 F CB 0.752 39.767 39.000 0.025 0.000 1.251 441 F HN -0.329 nan 8.300 nan 0.000 0.492 442 V N -1.438 118.639 119.914 0.271 0.000 2.769 442 V HA 0.710 4.834 4.120 0.006 0.000 0.312 442 V C -0.962 175.221 176.094 0.148 0.000 1.061 442 V CA -0.616 61.801 62.300 0.194 0.000 0.931 442 V CB 2.041 33.993 31.823 0.215 0.000 1.010 442 V HN 0.735 nan 8.190 nan 0.000 0.433 443 E N 3.219 123.483 120.200 0.106 0.000 2.279 443 E HA 0.468 4.822 4.350 0.006 0.000 0.252 443 E C -2.894 173.729 176.600 0.039 0.000 0.894 443 E CA -1.852 54.591 56.400 0.071 0.000 0.785 443 E CB 2.275 32.020 29.700 0.075 0.000 1.237 443 E HN 0.633 nan 8.360 nan 0.000 0.418 444 P HA 0.007 nan 4.420 nan 0.000 0.264 444 P C -0.479 176.819 177.300 -0.002 0.000 1.179 444 P CA 0.190 63.288 63.100 -0.003 0.000 0.763 444 P CB 0.395 32.091 31.700 -0.007 0.000 0.806 445 I N 1.853 122.415 120.570 -0.013 0.000 2.722 445 I HA 0.269 4.443 4.170 0.006 0.000 0.295 445 I C 0.469 176.574 176.117 -0.020 0.000 1.161 445 I CA -0.604 60.688 61.300 -0.013 0.000 1.032 445 I CB 1.815 39.808 38.000 -0.012 0.000 1.244 445 I HN 0.151 nan 8.210 nan 0.000 0.421 446 D N 3.289 123.677 120.400 -0.020 0.000 2.106 446 D HA -0.104 4.540 4.640 0.006 0.000 0.194 446 D C 0.140 176.426 176.300 -0.024 0.000 0.988 446 D CA 2.198 56.185 54.000 -0.021 0.000 0.845 446 D CB -0.052 40.736 40.800 -0.019 0.000 0.990 446 D HN 0.787 nan 8.370 nan 0.000 0.448 447 D N -1.610 118.775 120.400 -0.025 0.000 2.689 447 D HA 0.413 5.056 4.640 0.006 0.000 0.255 447 D C -0.800 175.482 176.300 -0.031 0.000 1.113 447 D CA -0.728 53.256 54.000 -0.027 0.000 1.115 447 D CB 1.664 42.449 40.800 -0.025 0.000 1.334 447 D HN 0.223 nan 8.370 nan 0.000 0.621 448 C N 1.107 120.387 119.300 -0.034 0.000 2.928 448 C HA 0.394 4.858 4.460 0.006 0.000 0.396 448 C C -2.863 172.100 174.990 -0.044 0.000 1.052 448 C CA -0.774 58.219 59.018 -0.041 0.000 1.251 448 C CB 1.036 28.749 27.740 -0.046 0.000 1.684 448 C HN 0.463 nan 8.230 nan 0.000 0.501 449 P HA 0.354 nan 4.420 nan 0.000 0.274 449 P C -0.191 177.077 177.300 -0.054 0.000 1.246 449 P CA 0.129 63.204 63.100 -0.042 0.000 0.795 449 P CB 0.838 32.515 31.700 -0.038 0.000 1.006 450 A N 0.753 123.544 122.820 -0.047 0.000 2.561 450 A HA 0.377 4.700 4.320 0.006 0.000 0.234 450 A C 1.440 178.975 177.584 -0.081 0.000 1.055 450 A CA 1.085 53.086 52.037 -0.061 0.000 0.756 450 A CB -1.544 17.440 19.000 -0.026 0.000 0.986 450 A HN 0.899 nan 8.150 nan 0.000 0.505 451 G N 1.636 110.353 108.800 -0.139 0.000 2.253 451 G HA2 -0.190 3.774 3.960 0.006 0.000 0.209 451 G HA3 -0.190 3.774 3.960 0.006 0.000 0.209 451 G C 0.061 174.867 174.900 -0.157 0.000 0.997 451 G CA 0.136 45.151 45.100 -0.141 0.000 0.640 451 G HN 0.885 nan 8.290 nan 0.000 0.496 452 N N -0.042 118.567 118.700 -0.151 0.000 2.430 452 N HA 0.620 5.364 4.740 0.006 0.000 0.298 452 N C -1.081 174.323 175.510 -0.177 0.000 1.130 452 N CA -0.714 52.258 53.050 -0.130 0.000 0.894 452 N CB 1.730 40.168 38.487 -0.082 0.000 1.209 452 N HN 0.022 nan 8.380 nan 0.000 0.503 453 I N 1.919 122.401 120.570 -0.147 0.000 2.371 453 I HA 0.278 4.452 4.170 0.006 0.000 0.290 453 I C -0.119 175.908 176.117 -0.150 0.000 1.028 453 I CA 0.024 61.199 61.300 -0.209 0.000 1.345 453 I CB 0.522 38.449 38.000 -0.120 0.000 1.407 453 I HN 0.439 nan 8.210 nan 0.000 0.501 454 I N 4.818 125.259 120.570 -0.214 0.000 3.191 454 I HA 0.826 5.000 4.170 0.006 0.000 0.313 454 I C -0.342 175.725 176.117 -0.083 0.000 1.193 454 I CA -0.406 60.835 61.300 -0.097 0.000 0.968 454 I CB 2.353 40.306 38.000 -0.078 0.000 1.262 454 I HN 0.488 nan 8.210 nan 0.000 0.456 455 G N 3.900 112.712 108.800 0.020 0.000 2.482 455 G HA2 0.690 4.654 3.960 0.006 0.000 0.317 455 G HA3 0.690 4.654 3.960 0.006 0.000 0.317 455 G C -1.734 173.166 174.900 -0.000 0.000 1.241 455 G CA -0.582 44.565 45.100 0.077 0.000 0.967 455 G HN 0.576 nan 8.290 nan 0.000 0.482 456 L N 0.902 122.126 121.223 0.001 0.000 2.342 456 L HA 0.648 4.991 4.340 0.006 0.000 0.271 456 L C -0.542 176.249 176.870 -0.133 0.000 1.008 456 L CA -1.271 53.535 54.840 -0.057 0.000 0.818 456 L CB 2.373 44.424 42.059 -0.014 0.000 1.296 456 L HN 0.164 nan 8.230 nan 0.000 0.427 457 V N 0.942 120.724 119.914 -0.220 0.000 2.409 457 V HA 0.665 4.789 4.120 0.006 0.000 0.291 457 V C 0.578 176.632 176.094 -0.067 0.000 1.020 457 V CA 0.076 62.185 62.300 -0.318 0.000 0.848 457 V CB 1.154 32.666 31.823 -0.519 0.000 0.990 457 V HN 1.047 nan 8.190 nan 0.000 0.430 458 G N 4.313 113.143 108.800 0.051 0.000 2.181 458 G HA2 -0.142 3.822 3.960 0.006 0.000 0.152 458 G HA3 -0.142 3.822 3.960 0.006 0.000 0.152 458 G C 0.120 175.128 174.900 0.180 0.000 1.026 458 G CA 0.102 45.263 45.100 0.100 0.000 0.699 458 G HN 0.627 nan 8.290 nan 0.000 0.497 459 I N 0.555 121.220 120.570 0.159 0.000 4.403 459 I HA 0.060 4.234 4.170 0.006 0.000 0.331 459 I C 2.071 178.210 176.117 0.037 0.000 1.327 459 I CA 0.540 61.982 61.300 0.235 0.000 1.175 459 I CB 0.078 38.189 38.000 0.185 0.000 1.165 459 I HN 0.246 nan 8.210 nan 0.000 0.413 460 D N 1.961 122.368 120.400 0.011 0.000 2.220 460 D HA -0.299 4.344 4.640 0.006 0.000 0.198 460 D C 1.562 177.725 176.300 -0.228 0.000 1.001 460 D CA 1.390 55.367 54.000 -0.039 0.000 0.875 460 D CB -0.450 40.412 40.800 0.103 0.000 0.921 460 D HN 0.496 nan 8.370 nan 0.000 0.454 461 Q N -0.601 118.907 119.800 -0.486 0.000 2.320 461 Q HA 0.062 4.405 4.340 0.006 0.000 0.201 461 Q C 0.580 175.966 176.000 -1.024 0.000 0.910 461 Q CA 0.091 55.461 55.803 -0.723 0.000 0.946 461 Q CB -0.169 28.089 28.738 -0.800 0.000 1.062 461 Q HN 0.333 nan 8.270 nan 0.000 0.503 462 F N -0.096 119.638 119.950 -0.362 0.000 2.747 462 F HA 0.380 4.910 4.527 0.006 0.000 0.305 462 F C 0.565 176.151 175.800 -0.357 0.000 1.065 462 F CA -0.284 57.301 58.000 -0.692 0.000 1.230 462 F CB 0.852 39.490 39.000 -0.603 0.000 1.027 462 F HN -0.131 nan 8.300 nan 0.000 0.607 463 L N 1.072 122.273 121.223 -0.036 0.000 2.319 463 L HA 0.301 4.645 4.340 0.006 0.000 0.281 463 L C 0.741 177.566 176.870 -0.076 0.000 1.005 463 L CA -0.533 54.312 54.840 0.010 0.000 0.828 463 L CB 2.225 44.302 42.059 0.029 0.000 1.227 463 L HN 0.046 nan 8.230 nan 0.000 0.415 464 L N 3.833 125.034 121.223 -0.038 0.000 1.976 464 L HA -0.141 4.203 4.340 0.006 0.000 0.209 464 L C 1.999 178.649 176.870 -0.368 0.000 1.071 464 L CA 2.215 56.964 54.840 -0.151 0.000 0.746 464 L CB -0.171 41.910 42.059 0.036 0.000 0.890 464 L HN 0.749 nan 8.230 nan 0.000 0.432 465 K N -3.845 116.229 120.400 -0.542 0.000 2.703 465 K HA 0.168 4.491 4.320 0.006 0.000 0.196 465 K C -0.114 176.263 176.600 -0.371 0.000 1.457 465 K CA 0.308 56.222 56.287 -0.622 0.000 1.115 465 K CB 0.737 32.594 32.500 -1.072 0.000 1.661 465 K HN 0.184 nan 8.250 nan 0.000 0.552 466 T N -0.069 114.320 114.554 -0.274 0.000 2.924 466 T HA 0.749 5.102 4.350 0.006 0.000 0.291 466 T C -0.708 174.017 174.700 0.042 0.000 1.045 466 T CA -0.256 61.814 62.100 -0.050 0.000 1.015 466 T CB 1.827 70.782 68.868 0.144 0.000 1.103 466 T HN 0.455 nan 8.240 nan 0.000 0.496 467 G N 0.396 109.137 108.800 -0.097 0.000 2.325 467 G HA2 0.480 4.444 3.960 0.006 0.000 0.297 467 G HA3 0.480 4.444 3.960 0.006 0.000 0.297 467 G C -1.442 173.406 174.900 -0.087 0.000 1.448 467 G CA -0.709 44.381 45.100 -0.017 0.000 0.838 467 G HN 0.702 nan 8.290 nan 0.000 0.579 468 T N 0.440 115.013 114.554 0.031 0.000 2.829 468 T HA 0.647 5.001 4.350 0.006 0.000 0.280 468 T C -0.695 174.039 174.700 0.057 0.000 0.999 468 T CA -0.387 61.763 62.100 0.085 0.000 0.983 468 T CB 1.564 70.541 68.868 0.181 0.000 0.968 468 T HN 0.373 nan 8.240 nan 0.000 0.446 469 L N 3.448 124.709 121.223 0.064 0.000 2.317 469 L HA 0.760 5.104 4.340 0.006 0.000 0.281 469 L C 0.755 177.656 176.870 0.051 0.000 1.024 469 L CA -0.112 54.747 54.840 0.031 0.000 0.810 469 L CB 1.760 43.832 42.059 0.022 0.000 1.240 469 L HN 0.968 nan 8.230 nan 0.000 0.427 470 T N -2.268 112.298 114.554 0.020 0.000 2.778 470 T HA 0.603 4.957 4.350 0.006 0.000 0.293 470 T C 0.156 174.862 174.700 0.011 0.000 1.144 470 T CA -0.223 61.900 62.100 0.038 0.000 1.010 470 T CB 1.792 70.702 68.868 0.069 0.000 1.325 470 T HN 0.346 nan 8.240 nan 0.000 0.515 471 T N 0.083 114.651 114.554 0.023 0.000 2.992 471 T HA 0.346 4.700 4.350 0.006 0.000 0.255 471 T C 0.656 175.370 174.700 0.022 0.000 0.938 471 T CA 0.113 62.220 62.100 0.011 0.000 0.895 471 T CB 0.364 69.237 68.868 0.008 0.000 1.221 471 T HN 0.711 nan 8.240 nan 0.000 0.512 472 S N 1.906 117.632 115.700 0.044 0.000 2.474 472 S HA 0.176 4.649 4.470 0.006 0.000 0.276 472 S C 1.018 175.660 174.600 0.071 0.000 1.227 472 S CA -0.293 57.942 58.200 0.057 0.000 1.050 472 S CB 1.059 64.305 63.200 0.076 0.000 0.939 472 S HN 0.406 nan 8.310 nan 0.000 0.490 473 E N 2.667 122.901 120.200 0.058 0.000 2.409 473 E HA -0.080 4.273 4.350 0.006 0.000 0.198 473 E C 0.723 177.377 176.600 0.090 0.000 1.024 473 E CA 1.113 57.553 56.400 0.066 0.000 0.861 473 E CB 0.120 29.845 29.700 0.043 0.000 0.788 473 E HN 0.780 nan 8.360 nan 0.000 0.521 474 T N -2.041 112.570 114.554 0.095 0.000 3.308 474 T HA 0.587 4.941 4.350 0.006 0.000 0.270 474 T C -0.153 174.654 174.700 0.177 0.000 0.992 474 T CA -0.375 61.787 62.100 0.103 0.000 0.931 474 T CB 1.021 69.946 68.868 0.096 0.000 1.142 474 T HN 0.105 nan 8.240 nan 0.000 0.525 475 A N 1.315 124.254 122.820 0.199 0.000 2.260 475 A HA 0.674 4.997 4.320 0.006 0.000 0.314 475 A C -0.277 177.487 177.584 0.300 0.000 1.257 475 A CA -0.599 51.623 52.037 0.308 0.000 0.871 475 A CB 0.238 19.387 19.000 0.248 0.000 1.166 475 A HN 0.623 nan 8.150 nan 0.000 0.522 476 H N 1.269 120.459 119.070 0.200 0.000 2.581 476 H HA 0.236 4.796 4.556 0.006 0.000 0.369 476 H C 0.531 175.907 175.328 0.081 0.000 1.351 476 H CA 0.296 56.338 56.048 -0.011 0.000 1.434 476 H CB 0.500 30.025 29.762 -0.395 0.000 1.558 476 H HN 0.677 nan 8.280 nan 0.000 0.608 477 N N 0.463 119.262 118.700 0.164 0.000 2.493 477 N HA 0.164 4.908 4.740 0.006 0.000 0.275 477 N C -0.265 175.333 175.510 0.146 0.000 1.186 477 N CA -0.189 52.977 53.050 0.194 0.000 0.978 477 N CB 0.858 39.457 38.487 0.186 0.000 1.184 477 N HN 0.394 nan 8.380 nan 0.000 0.487 478 M N 0.510 120.261 119.600 0.251 0.000 2.342 478 M HA 0.161 4.644 4.480 0.006 0.000 0.332 478 M C 0.490 176.913 176.300 0.205 0.000 1.166 478 M CA -0.829 54.604 55.300 0.223 0.000 1.086 478 M CB 0.615 33.370 32.600 0.258 0.000 1.541 478 M HN 0.230 nan 8.290 nan 0.000 0.462 479 K N 2.524 122.970 120.400 0.077 0.000 2.289 479 K HA -0.042 4.282 4.320 0.006 0.000 0.251 479 K C -0.751 175.978 176.600 0.215 0.000 1.307 479 K CA 0.111 56.445 56.287 0.078 0.000 1.290 479 K CB -1.137 31.359 32.500 -0.008 0.000 0.757 479 K HN 0.510 nan 8.250 nan 0.000 0.513 480 V N 2.445 122.478 119.914 0.199 0.000 2.811 480 V HA 0.266 4.390 4.120 0.006 0.000 0.302 480 V C 0.435 176.659 176.094 0.216 0.000 1.063 480 V CA -0.277 62.163 62.300 0.233 0.000 1.088 480 V CB 0.863 32.774 31.823 0.147 0.000 0.982 480 V HN 0.595 nan 8.190 nan 0.000 0.485 481 M N 4.055 123.815 119.600 0.267 0.000 2.055 481 M HA 0.417 4.901 4.480 0.006 0.000 0.346 481 M C -0.022 176.426 176.300 0.247 0.000 1.074 481 M CA -0.330 55.121 55.300 0.251 0.000 1.009 481 M CB 0.927 33.703 32.600 0.294 0.000 1.423 481 M HN 0.685 nan 8.290 nan 0.000 0.410 482 K N 3.374 123.848 120.400 0.123 0.000 2.489 482 K HA 0.256 4.580 4.320 0.006 0.000 0.278 482 K C -0.689 175.972 176.600 0.103 0.000 1.000 482 K CA 0.697 56.990 56.287 0.009 0.000 1.012 482 K CB 0.331 32.822 32.500 -0.015 0.000 0.903 482 K HN 0.503 nan 8.250 nan 0.000 0.485 483 F N -1.753 118.220 119.950 0.038 0.000 3.016 483 F HA 0.659 5.190 4.527 0.006 0.000 0.324 483 F C -0.924 174.902 175.800 0.045 0.000 1.196 483 F CA -1.143 56.869 58.000 0.021 0.000 0.929 483 F CB 1.581 40.582 39.000 0.001 0.000 1.440 483 F HN 0.324 nan 8.300 nan 0.000 0.505 484 S N -0.397 115.515 115.700 0.353 0.000 2.560 484 S HA 0.404 4.878 4.470 0.006 0.000 0.283 484 S C -1.152 173.607 174.600 0.265 0.000 1.141 484 S CA -0.131 58.197 58.200 0.213 0.000 0.902 484 S CB 1.647 64.962 63.200 0.191 0.000 1.104 484 S HN 1.393 nan 8.310 nan 0.000 0.454 485 V N 3.957 123.999 119.914 0.213 0.000 3.514 485 V HA 0.361 4.484 4.120 0.006 0.000 0.301 485 V C 0.175 176.295 176.094 0.042 0.000 1.346 485 V CA 0.391 62.763 62.300 0.120 0.000 1.156 485 V CB -0.072 31.814 31.823 0.106 0.000 1.029 485 V HN 0.784 nan 8.190 nan 0.000 0.428 486 S N 3.685 119.384 115.700 -0.002 0.000 2.405 486 S HA 0.307 4.781 4.470 0.006 0.000 0.291 486 S C -2.434 172.072 174.600 -0.156 0.000 1.137 486 S CA -0.621 57.475 58.200 -0.174 0.000 1.061 486 S CB 0.820 63.686 63.200 -0.556 0.000 1.001 486 S HN 0.394 nan 8.310 nan 0.000 0.507 487 P HA 0.028 nan 4.420 nan 0.000 0.263 487 P C 0.735 178.006 177.300 -0.048 0.000 1.276 487 P CA 0.008 63.108 63.100 -0.001 0.000 0.986 487 P CB 0.151 31.869 31.700 0.028 0.000 1.105 488 V N 2.209 122.084 119.914 -0.066 0.000 3.643 488 V HA 0.179 4.302 4.120 0.006 0.000 0.280 488 V C 0.279 176.347 176.094 -0.044 0.000 1.351 488 V CA 0.252 62.468 62.300 -0.139 0.000 1.073 488 V CB 0.149 31.785 31.823 -0.311 0.000 0.863 488 V HN 0.098 nan 8.190 nan 0.000 0.436 489 V N 1.953 121.902 119.914 0.057 0.000 2.577 489 V HA 0.757 4.880 4.120 0.006 0.000 0.303 489 V C -0.805 175.373 176.094 0.140 0.000 1.042 489 V CA -0.548 61.835 62.300 0.138 0.000 0.872 489 V CB 1.135 33.074 31.823 0.194 0.000 0.998 489 V HN 0.703 nan 8.190 nan 0.000 0.423 490 Q N 3.146 123.032 119.800 0.143 0.000 2.462 490 Q HA 0.927 5.271 4.340 0.006 0.000 0.285 490 Q C -1.324 174.728 176.000 0.087 0.000 1.035 490 Q CA -1.064 54.808 55.803 0.115 0.000 0.799 490 Q CB 3.057 31.879 28.738 0.140 0.000 1.452 490 Q HN 1.000 nan 8.270 nan 0.000 0.404 491 V N -3.175 116.769 119.914 0.050 0.000 3.130 491 V HA 0.981 5.105 4.120 0.006 0.000 0.310 491 V C -1.074 175.023 176.094 0.004 0.000 1.158 491 V CA -0.766 61.549 62.300 0.026 0.000 1.029 491 V CB 1.602 33.437 31.823 0.019 0.000 1.057 491 V HN 1.042 nan 8.190 nan 0.000 0.436 492 A N 1.957 124.780 122.820 0.004 0.000 2.271 492 A HA 0.826 5.149 4.320 0.006 0.000 0.317 492 A C -0.490 177.102 177.584 0.014 0.000 1.245 492 A CA -0.624 51.414 52.037 0.001 0.000 0.857 492 A CB 1.064 20.069 19.000 0.009 0.000 1.175 492 A HN 1.327 nan 8.150 nan 0.000 0.512 493 V N 2.738 122.669 119.914 0.028 0.000 2.427 493 V HA 0.471 4.594 4.120 0.006 0.000 0.286 493 V C 0.183 176.311 176.094 0.057 0.000 1.034 493 V CA -0.323 61.996 62.300 0.030 0.000 0.893 493 V CB 1.207 33.036 31.823 0.011 0.000 0.982 493 V HN 0.994 nan 8.190 nan 0.000 0.452 494 E N 2.041 122.263 120.200 0.037 0.000 2.317 494 E HA 0.624 4.977 4.350 0.006 0.000 0.270 494 E C -1.110 175.503 176.600 0.021 0.000 0.885 494 E CA -0.783 55.644 56.400 0.045 0.000 0.760 494 E CB 2.616 32.335 29.700 0.033 0.000 1.227 494 E HN 0.626 nan 8.360 nan 0.000 0.434 495 V N 0.941 120.866 119.914 0.020 0.000 2.607 495 V HA 0.298 4.421 4.120 0.006 0.000 0.289 495 V C 0.847 176.943 176.094 0.003 0.000 1.053 495 V CA -0.299 62.003 62.300 0.003 0.000 0.996 495 V CB 1.463 33.285 31.823 -0.001 0.000 0.995 495 V HN 0.745 nan 8.190 nan 0.000 0.476 496 K N 2.125 122.523 120.400 -0.004 0.000 2.228 496 K HA 0.088 4.412 4.320 0.006 0.000 0.202 496 K C 0.462 177.060 176.600 -0.004 0.000 1.051 496 K CA 1.063 57.348 56.287 -0.003 0.000 0.960 496 K CB 0.016 32.511 32.500 -0.007 0.000 0.743 496 K HN 0.794 nan 8.250 nan 0.000 0.458 497 N N -0.044 118.652 118.700 -0.006 0.000 2.569 497 N HA 0.174 4.918 4.740 0.006 0.000 0.254 497 N C 0.058 175.566 175.510 -0.003 0.000 1.004 497 N CA -0.373 52.674 53.050 -0.005 0.000 0.904 497 N CB 1.670 40.152 38.487 -0.009 0.000 1.165 497 N HN -0.003 nan 8.380 nan 0.000 0.513 498 A N 2.493 125.314 122.820 0.001 0.000 2.067 498 A HA -0.292 4.032 4.320 0.006 0.000 0.224 498 A C 1.926 179.512 177.584 0.003 0.000 1.172 498 A CA 1.619 53.659 52.037 0.005 0.000 0.662 498 A CB -0.269 18.734 19.000 0.006 0.000 0.814 498 A HN 0.639 nan 8.150 nan 0.000 0.468 499 N N 0.415 119.115 118.700 -0.001 0.000 2.166 499 N HA -0.108 4.636 4.740 0.006 0.000 0.186 499 N C 0.845 176.352 175.510 -0.004 0.000 1.019 499 N CA 1.469 54.518 53.050 -0.002 0.000 0.856 499 N CB -0.400 38.084 38.487 -0.005 0.000 0.993 499 N HN 0.523 nan 8.380 nan 0.000 0.426 500 D N 1.077 121.473 120.400 -0.008 0.000 2.371 500 D HA -0.064 4.580 4.640 0.006 0.000 0.221 500 D C 1.993 178.285 176.300 -0.014 0.000 0.986 500 D CA -0.096 53.896 54.000 -0.013 0.000 0.899 500 D CB 0.008 40.797 40.800 -0.018 0.000 0.902 500 D HN 0.256 nan 8.370 nan 0.000 0.530 501 L N 1.242 122.462 121.223 -0.005 0.000 2.054 501 L HA -0.218 4.126 4.340 0.006 0.000 0.220 501 L C -0.811 176.050 176.870 -0.014 0.000 1.081 501 L CA 2.066 56.905 54.840 -0.001 0.000 0.780 501 L CB -1.043 41.029 42.059 0.022 0.000 0.893 501 L HN 0.033 nan 8.230 nan 0.000 0.438 502 P HA -0.147 nan 4.420 nan 0.000 0.222 502 P C 0.961 178.246 177.300 -0.025 0.000 1.147 502 P CA 1.439 64.532 63.100 -0.011 0.000 0.790 502 P CB 0.026 31.724 31.700 -0.003 0.000 0.780 503 K N -1.239 119.145 120.400 -0.027 0.000 2.296 503 K HA -0.009 4.314 4.320 0.006 0.000 0.200 503 K C 1.720 178.294 176.600 -0.043 0.000 1.048 503 K CA 0.556 56.826 56.287 -0.028 0.000 0.966 503 K CB -0.395 32.090 32.500 -0.024 0.000 0.754 503 K HN 0.104 nan 8.250 nan 0.000 0.466 504 L N 0.200 121.381 121.223 -0.071 0.000 2.202 504 L HA -0.013 4.330 4.340 0.006 0.000 0.205 504 L C 1.731 178.490 176.870 -0.184 0.000 1.083 504 L CA 1.248 56.017 54.840 -0.118 0.000 0.790 504 L CB -0.096 41.877 42.059 -0.143 0.000 0.942 504 L HN -0.184 nan 8.230 nan 0.000 0.452 505 V N 0.126 119.931 119.914 -0.182 0.000 2.720 505 V HA -0.197 3.926 4.120 0.006 0.000 0.256 505 V C 2.551 178.594 176.094 -0.086 0.000 1.082 505 V CA 1.760 63.959 62.300 -0.169 0.000 1.101 505 V CB -0.622 31.166 31.823 -0.060 0.000 0.693 505 V HN 0.531 nan 8.190 nan 0.000 0.479 506 E N 0.559 120.723 120.200 -0.059 0.000 2.201 506 E HA 0.074 4.428 4.350 0.006 0.000 0.193 506 E C 2.222 178.809 176.600 -0.021 0.000 0.957 506 E CA 1.033 57.416 56.400 -0.029 0.000 0.858 506 E CB -0.399 29.292 29.700 -0.015 0.000 0.816 506 E HN 0.376 nan 8.360 nan 0.000 0.475 507 G N 1.043 109.833 108.800 -0.017 0.000 2.422 507 G HA2 -0.204 3.760 3.960 0.006 0.000 0.218 507 G HA3 -0.204 3.760 3.960 0.006 0.000 0.218 507 G C 1.550 176.429 174.900 -0.035 0.000 1.146 507 G CA 0.821 45.938 45.100 0.030 0.000 0.769 507 G HN 0.274 nan 8.290 nan 0.000 0.547 508 L N 0.121 121.296 121.223 -0.079 0.000 2.017 508 L HA -0.059 4.285 4.340 0.006 0.000 0.208 508 L C 2.832 179.656 176.870 -0.076 0.000 1.073 508 L CA 1.620 56.402 54.840 -0.096 0.000 0.745 508 L CB -0.350 41.635 42.059 -0.123 0.000 0.894 508 L HN 0.226 nan 8.230 nan 0.000 0.432 509 K N 0.526 120.895 120.400 -0.052 0.000 2.063 509 K HA -0.264 4.060 4.320 0.006 0.000 0.208 509 K C 2.309 178.881 176.600 -0.046 0.000 1.048 509 K CA 1.609 57.879 56.287 -0.029 0.000 0.928 509 K CB -0.048 32.443 32.500 -0.015 0.000 0.713 509 K HN 0.143 nan 8.250 nan 0.000 0.442 510 R N 0.617 121.084 120.500 -0.056 0.000 2.070 510 R HA -0.177 4.166 4.340 0.006 0.000 0.232 510 R C 2.464 178.641 176.300 -0.204 0.000 1.138 510 R CA 1.592 57.657 56.100 -0.058 0.000 0.936 510 R CB -0.562 29.769 30.300 0.052 0.000 0.839 510 R HN 0.240 nan 8.270 nan 0.000 0.429 511 L N 0.759 121.729 121.223 -0.422 0.000 1.963 511 L HA -0.240 4.103 4.340 0.006 0.000 0.220 511 L C 2.348 179.085 176.870 -0.223 0.000 1.076 511 L CA 2.604 57.084 54.840 -0.600 0.000 0.772 511 L CB -1.241 40.564 42.059 -0.423 0.000 0.892 511 L HN 0.286 nan 8.230 nan 0.000 0.435 512 S N -1.335 114.302 115.700 -0.105 0.000 2.420 512 S HA -0.206 4.268 4.470 0.006 0.000 0.237 512 S C 1.996 176.622 174.600 0.044 0.000 1.023 512 S CA 1.188 59.383 58.200 -0.009 0.000 0.991 512 S CB -0.389 62.819 63.200 0.013 0.000 0.792 512 S HN 0.415 nan 8.310 nan 0.000 0.488 513 K N 1.069 121.473 120.400 0.006 0.000 2.288 513 K HA 0.076 4.400 4.320 0.006 0.000 0.201 513 K C 2.249 178.880 176.600 0.053 0.000 1.048 513 K CA 1.166 57.471 56.287 0.030 0.000 0.956 513 K CB -0.376 32.098 32.500 -0.042 0.000 0.746 513 K HN 0.623 nan 8.250 nan 0.000 0.461 514 S N -0.451 115.287 115.700 0.063 0.000 2.503 514 S HA 0.029 4.503 4.470 0.006 0.000 0.217 514 S C 0.324 175.124 174.600 0.333 0.000 0.999 514 S CA -0.203 58.065 58.200 0.113 0.000 0.914 514 S CB 0.386 63.632 63.200 0.076 0.000 0.782 514 S HN 0.051 nan 8.310 nan 0.000 0.520 515 D N 0.973 121.547 120.400 0.289 0.000 2.863 515 D HA 0.409 5.053 4.640 0.006 0.000 0.245 515 D C -2.588 173.707 176.300 -0.009 0.000 1.211 515 D CA -2.032 52.061 54.000 0.155 0.000 0.888 515 D CB 2.395 43.276 40.800 0.135 0.000 1.483 515 D HN -0.162 nan 8.370 nan 0.000 0.533 516 P HA 0.040 nan 4.420 nan 0.000 0.221 516 P C 0.890 178.085 177.300 -0.176 0.000 1.150 516 P CA 0.663 63.520 63.100 -0.404 0.000 0.800 516 P CB 0.351 31.656 31.700 -0.657 0.000 0.787 517 C N -1.699 117.532 119.300 -0.114 0.000 2.855 517 C HA 0.343 4.807 4.460 0.006 0.000 0.279 517 C C 1.008 176.086 174.990 0.146 0.000 1.270 517 C CA -0.395 58.606 59.018 -0.029 0.000 1.702 517 C CB -0.905 26.755 27.740 -0.132 0.000 1.949 517 C HN 0.045 nan 8.230 nan 0.000 0.618 518 V N 1.826 121.835 119.914 0.158 0.000 2.612 518 V HA 0.727 4.851 4.120 0.006 0.000 0.301 518 V C -0.910 175.244 176.094 0.100 0.000 1.046 518 V CA -0.385 62.023 62.300 0.180 0.000 0.946 518 V CB 1.781 33.670 31.823 0.109 0.000 1.003 518 V HN 0.268 nan 8.190 nan 0.000 0.459 519 L N 5.405 126.693 121.223 0.108 0.000 2.436 519 L HA 0.824 5.167 4.340 0.006 0.000 0.268 519 L C -0.328 176.643 176.870 0.168 0.000 0.974 519 L CA 0.138 55.055 54.840 0.129 0.000 0.826 519 L CB 2.337 44.480 42.059 0.139 0.000 1.291 519 L HN 0.854 nan 8.230 nan 0.000 0.406 520 T N 1.746 116.399 114.554 0.165 0.000 2.848 520 T HA 0.821 5.175 4.350 0.006 0.000 0.285 520 T C -0.794 174.048 174.700 0.238 0.000 0.995 520 T CA -0.473 61.706 62.100 0.132 0.000 0.970 520 T CB 1.346 70.247 68.868 0.054 0.000 0.976 520 T HN 0.728 nan 8.240 nan 0.000 0.441 521 Y N -0.069 120.267 120.300 0.060 0.000 2.713 521 Y HA 0.731 5.284 4.550 0.006 0.000 0.335 521 Y C -1.746 174.192 175.900 0.064 0.000 1.222 521 Y CA -1.777 56.354 58.100 0.052 0.000 1.061 521 Y CB 1.490 39.960 38.460 0.016 0.000 1.314 521 Y HN 0.638 nan 8.280 nan 0.000 0.453 522 M N 3.201 122.869 119.600 0.115 0.000 2.243 522 M HA 0.458 4.942 4.480 0.006 0.000 0.324 522 M C -0.334 176.038 176.300 0.120 0.000 1.031 522 M CA -0.858 54.427 55.300 -0.025 0.000 0.949 522 M CB 2.236 34.812 32.600 -0.039 0.000 1.615 522 M HN 0.883 nan 8.290 nan 0.000 0.430 523 S N 1.460 117.166 115.700 0.010 0.000 2.617 523 S HA 0.177 4.650 4.470 0.006 0.000 0.259 523 S C 0.739 175.390 174.600 0.086 0.000 1.301 523 S CA -0.521 57.744 58.200 0.108 0.000 0.984 523 S CB 0.849 64.058 63.200 0.014 0.000 0.954 523 S HN 0.770 nan 8.310 nan 0.000 0.572 524 E N 0.629 120.880 120.200 0.084 0.000 2.204 524 E HA -0.112 4.242 4.350 0.006 0.000 0.194 524 E C 1.961 178.521 176.600 -0.067 0.000 0.989 524 E CA 1.213 57.595 56.400 -0.030 0.000 0.824 524 E CB -0.218 29.427 29.700 -0.093 0.000 0.756 524 E HN 0.839 nan 8.360 nan 0.000 0.477 525 S N -0.726 114.944 115.700 -0.051 0.000 2.603 525 S HA 0.048 4.522 4.470 0.006 0.000 0.229 525 S C 1.576 176.138 174.600 -0.063 0.000 0.972 525 S CA 0.565 58.734 58.200 -0.052 0.000 0.935 525 S CB 0.165 63.346 63.200 -0.032 0.000 0.769 525 S HN 0.364 nan 8.310 nan 0.000 0.536 526 G N 0.368 109.121 108.800 -0.078 0.000 2.179 526 G HA2 -0.257 3.706 3.960 0.006 0.000 0.260 526 G HA3 -0.257 3.706 3.960 0.006 0.000 0.260 526 G C -0.195 174.579 174.900 -0.209 0.000 0.977 526 G CA 0.161 45.188 45.100 -0.122 0.000 0.641 526 G HN 0.616 nan 8.290 nan 0.000 0.533 527 E N 0.537 120.639 120.200 -0.163 0.000 2.390 527 E HA 0.325 4.678 4.350 0.006 0.000 0.261 527 E C 0.003 176.428 176.600 -0.292 0.000 1.076 527 E CA -0.441 55.850 56.400 -0.182 0.000 0.905 527 E CB 0.386 30.038 29.700 -0.079 0.000 0.984 527 E HN 0.388 nan 8.360 nan 0.000 0.427 528 H N 2.275 121.291 119.070 -0.091 0.000 2.604 528 H HA 0.229 4.789 4.556 0.006 0.000 0.306 528 H C -0.322 174.893 175.328 -0.188 0.000 1.075 528 H CA -0.240 55.732 56.048 -0.126 0.000 1.357 528 H CB 0.399 30.117 29.762 -0.072 0.000 1.426 528 H HN 0.219 nan 8.280 nan 0.000 0.470 529 I N 4.271 124.701 120.570 -0.234 0.000 2.433 529 I HA 0.175 4.348 4.170 0.006 0.000 0.292 529 I C 0.076 176.074 176.117 -0.199 0.000 1.001 529 I CA -0.808 60.283 61.300 -0.348 0.000 1.119 529 I CB 1.845 39.300 38.000 -0.908 0.000 1.289 529 I HN 0.167 nan 8.210 nan 0.000 0.438 530 V N 5.127 125.000 119.914 -0.068 0.000 2.376 530 V HA 0.741 4.865 4.120 0.006 0.000 0.287 530 V C 0.160 176.282 176.094 0.048 0.000 1.015 530 V CA -0.617 61.684 62.300 0.001 0.000 0.834 530 V CB 1.459 33.275 31.823 -0.012 0.000 1.001 530 V HN 0.870 nan 8.190 nan 0.000 0.428 531 A N 3.672 126.558 122.820 0.111 0.000 2.343 531 A HA 0.966 5.290 4.320 0.006 0.000 0.316 531 A C 0.206 177.861 177.584 0.117 0.000 1.104 531 A CA -0.030 52.089 52.037 0.135 0.000 0.768 531 A CB 1.632 20.763 19.000 0.218 0.000 1.213 531 A HN 1.002 nan 8.150 nan 0.000 0.456 532 G N -0.317 108.554 108.800 0.118 0.000 3.013 532 G HA2 0.491 4.455 3.960 0.006 0.000 0.278 532 G HA3 0.491 4.455 3.960 0.006 0.000 0.278 532 G C 0.488 175.579 174.900 0.319 0.000 1.353 532 G CA 0.296 45.532 45.100 0.226 0.000 1.043 532 G HN 0.545 nan 8.290 nan 0.000 0.523 533 T N -0.714 114.156 114.554 0.528 0.000 2.985 533 T HA 0.335 4.689 4.350 0.006 0.000 0.266 533 T C 0.951 175.824 174.700 0.289 0.000 1.076 533 T CA 1.104 63.361 62.100 0.263 0.000 1.135 533 T CB -0.027 68.883 68.868 0.070 0.000 0.890 533 T HN 1.030 nan 8.240 nan 0.000 0.480 534 G N -0.190 108.793 108.800 0.304 0.000 2.623 534 G HA2 0.441 4.405 3.960 0.006 0.000 0.290 534 G HA3 0.441 4.405 3.960 0.006 0.000 0.290 534 G C 0.160 175.166 174.900 0.176 0.000 1.437 534 G CA -0.277 44.957 45.100 0.223 0.000 0.798 534 G HN 0.002 nan 8.290 nan 0.000 0.488 535 E N -0.434 119.835 120.200 0.115 0.000 2.048 535 E HA -0.256 4.098 4.350 0.006 0.000 0.202 535 E C 2.297 178.977 176.600 0.133 0.000 1.021 535 E CA 2.064 58.570 56.400 0.176 0.000 0.825 535 E CB -0.116 29.688 29.700 0.173 0.000 0.756 535 E HN 0.381 nan 8.360 nan 0.000 0.454 536 L N 0.504 121.775 121.223 0.079 0.000 1.994 536 L HA -0.208 4.136 4.340 0.006 0.000 0.208 536 L C 2.651 179.590 176.870 0.115 0.000 1.071 536 L CA 2.617 57.483 54.840 0.043 0.000 0.745 536 L CB -0.743 41.282 42.059 -0.057 0.000 0.892 536 L HN 0.356 nan 8.230 nan 0.000 0.431 537 H N -0.848 118.267 119.070 0.075 0.000 2.390 537 H HA -0.229 4.331 4.556 0.006 0.000 0.298 537 H C 1.876 177.266 175.328 0.102 0.000 1.106 537 H CA 2.413 58.528 56.048 0.111 0.000 1.297 537 H CB -0.289 29.530 29.762 0.095 0.000 1.375 537 H HN 0.395 nan 8.280 nan 0.000 0.509 538 L N 0.356 121.499 121.223 -0.134 0.000 2.023 538 L HA -0.001 4.343 4.340 0.006 0.000 0.205 538 L C 2.397 179.227 176.870 -0.067 0.000 1.073 538 L CA 2.102 56.843 54.840 -0.167 0.000 0.745 538 L CB -0.944 41.116 42.059 0.002 0.000 0.900 538 L HN 0.287 nan 8.230 nan 0.000 0.435 539 E N 0.254 120.460 120.200 0.010 0.000 2.086 539 E HA -0.281 4.073 4.350 0.006 0.000 0.200 539 E C 2.177 178.790 176.600 0.022 0.000 1.012 539 E CA 2.522 58.937 56.400 0.025 0.000 0.812 539 E CB -0.602 29.119 29.700 0.035 0.000 0.743 539 E HN 0.686 nan 8.360 nan 0.000 0.453 540 I N -1.552 119.045 120.570 0.045 0.000 2.179 540 I HA -0.283 3.890 4.170 0.006 0.000 0.242 540 I C 2.154 178.295 176.117 0.039 0.000 1.088 540 I CA 1.537 62.881 61.300 0.074 0.000 1.357 540 I CB -0.779 37.327 38.000 0.177 0.000 1.051 540 I HN 0.103 nan 8.210 nan 0.000 0.409 541 C N 1.454 120.745 119.300 -0.016 0.000 2.413 541 C HA -0.090 4.374 4.460 0.006 0.000 0.277 541 C C 2.841 177.846 174.990 0.026 0.000 1.265 541 C CA 0.882 59.889 59.018 -0.018 0.000 1.752 541 C CB -1.286 26.375 27.740 -0.132 0.000 1.998 541 C HN 0.599 nan 8.230 nan 0.000 0.489 542 L N 0.077 121.309 121.223 0.015 0.000 2.141 542 L HA -0.179 4.165 4.340 0.006 0.000 0.209 542 L C 2.721 179.638 176.870 0.079 0.000 1.094 542 L CA 1.325 56.189 54.840 0.040 0.000 0.763 542 L CB -0.679 41.397 42.059 0.028 0.000 0.908 542 L HN 0.501 nan 8.230 nan 0.000 0.437 543 Q N 0.038 119.877 119.800 0.065 0.000 2.020 543 Q HA -0.186 4.158 4.340 0.006 0.000 0.198 543 Q C 1.736 177.804 176.000 0.113 0.000 0.974 543 Q CA 1.625 57.465 55.803 0.063 0.000 0.829 543 Q CB -0.174 28.529 28.738 -0.059 0.000 0.894 543 Q HN 0.423 nan 8.270 nan 0.000 0.433 544 D N 0.775 121.229 120.400 0.091 0.000 2.182 544 D HA -0.165 4.479 4.640 0.006 0.000 0.201 544 D C 1.622 178.062 176.300 0.234 0.000 0.986 544 D CA 0.734 54.808 54.000 0.123 0.000 0.847 544 D CB -0.054 40.868 40.800 0.202 0.000 0.942 544 D HN 0.044 nan 8.370 nan 0.000 0.467 545 L N 0.640 122.023 121.223 0.268 0.000 2.007 545 L HA -0.041 4.302 4.340 0.006 0.000 0.205 545 L C 1.946 178.898 176.870 0.137 0.000 1.073 545 L CA 1.725 56.713 54.840 0.247 0.000 0.744 545 L CB -0.469 41.663 42.059 0.121 0.000 0.898 545 L HN -0.062 nan 8.230 nan 0.000 0.435 546 E N -1.958 118.315 120.200 0.121 0.000 2.338 546 E HA -0.229 4.125 4.350 0.006 0.000 0.197 546 E C 1.452 178.031 176.600 -0.035 0.000 1.007 546 E CA 0.874 57.304 56.400 0.050 0.000 0.849 546 E CB 0.097 29.833 29.700 0.059 0.000 0.774 546 E HN 0.636 nan 8.360 nan 0.000 0.506 547 H N -1.059 118.002 119.070 -0.016 0.000 2.681 547 H HA 0.103 4.663 4.556 0.006 0.000 0.268 547 H C 0.732 176.011 175.328 -0.082 0.000 0.967 547 H CA 0.864 56.888 56.048 -0.041 0.000 1.233 547 H CB 0.647 30.387 29.762 -0.037 0.000 1.445 547 H HN 0.096 nan 8.280 nan 0.000 0.494 548 D N -1.480 118.899 120.400 -0.035 0.000 3.163 548 D HA 0.003 4.646 4.640 0.006 0.000 0.228 548 D C 1.705 177.904 176.300 -0.168 0.000 1.521 548 D CA 0.078 53.974 54.000 -0.173 0.000 1.334 548 D CB -0.298 40.286 40.800 -0.360 0.000 1.126 548 D HN 0.256 nan 8.370 nan 0.000 0.304 549 H N 1.196 120.267 119.070 0.002 0.000 2.437 549 H HA -0.079 4.480 4.556 0.006 0.000 0.296 549 H C 1.406 176.720 175.328 -0.023 0.000 1.121 549 H CA 1.845 57.885 56.048 -0.013 0.000 1.255 549 H CB 0.271 30.026 29.762 -0.012 0.000 1.366 549 H HN 0.211 nan 8.280 nan 0.000 0.512 550 A N -1.252 121.611 122.820 0.070 0.000 1.921 550 A HA 0.441 4.764 4.320 0.006 0.000 0.202 550 A C 2.038 179.611 177.584 -0.019 0.000 1.721 550 A CA 0.933 52.980 52.037 0.017 0.000 1.025 550 A CB -0.040 18.966 19.000 0.011 0.000 1.060 550 A HN 0.385 nan 8.150 nan 0.000 0.535 551 G N -0.635 108.144 108.800 -0.035 0.000 2.168 551 G HA2 -0.158 3.806 3.960 0.006 0.000 0.257 551 G HA3 -0.158 3.806 3.960 0.006 0.000 0.257 551 G C 0.131 174.981 174.900 -0.084 0.000 0.997 551 G CA 0.491 45.543 45.100 -0.080 0.000 0.708 551 G HN 1.120 nan 8.290 nan 0.000 0.520 552 V N 0.347 120.224 119.914 -0.062 0.000 2.547 552 V HA 0.509 4.633 4.120 0.006 0.000 0.299 552 V C -1.925 174.136 176.094 -0.056 0.000 1.040 552 V CA -1.992 60.275 62.300 -0.055 0.000 0.913 552 V CB 2.056 33.857 31.823 -0.037 0.000 0.992 552 V HN 0.028 nan 8.190 nan 0.000 0.449 553 P HA 0.189 nan 4.420 nan 0.000 0.264 553 P C -0.683 176.603 177.300 -0.024 0.000 1.236 553 P CA 0.391 63.466 63.100 -0.042 0.000 0.811 553 P CB 0.112 31.791 31.700 -0.034 0.000 0.840 554 L N 3.280 124.492 121.223 -0.017 0.000 2.360 554 L HA 0.440 4.784 4.340 0.006 0.000 0.271 554 L C 0.896 177.767 176.870 0.001 0.000 1.057 554 L CA -0.734 54.102 54.840 -0.006 0.000 0.803 554 L CB 1.281 43.339 42.059 -0.002 0.000 1.207 554 L HN 0.177 nan 8.230 nan 0.000 0.445 555 K N 3.080 123.483 120.400 0.004 0.000 2.316 555 K HA 0.533 4.857 4.320 0.006 0.000 0.267 555 K C -1.151 175.453 176.600 0.008 0.000 1.025 555 K CA -0.363 55.927 56.287 0.005 0.000 0.896 555 K CB 0.702 33.205 32.500 0.006 0.000 1.124 555 K HN 0.458 nan 8.250 nan 0.000 0.451 556 I N 3.453 124.027 120.570 0.006 0.000 2.377 556 I HA 0.141 4.315 4.170 0.006 0.000 0.293 556 I C 0.421 176.537 176.117 -0.002 0.000 0.987 556 I CA -0.690 60.613 61.300 0.005 0.000 1.185 556 I CB 1.964 39.969 38.000 0.009 0.000 1.341 556 I HN 0.647 nan 8.210 nan 0.000 0.455 557 S N 5.692 121.389 115.700 -0.004 0.000 2.632 557 S HA 0.513 4.986 4.470 0.006 0.000 0.267 557 S C -2.511 172.073 174.600 -0.026 0.000 1.276 557 S CA -1.249 56.942 58.200 -0.015 0.000 0.998 557 S CB 0.701 63.892 63.200 -0.014 0.000 0.953 557 S HN 0.286 nan 8.310 nan 0.000 0.547 558 P HA 0.273 nan 4.420 nan 0.000 0.268 558 P C -2.491 174.754 177.300 -0.091 0.000 1.208 558 P CA -0.894 62.159 63.100 -0.079 0.000 0.777 558 P CB -0.587 31.057 31.700 -0.094 0.000 0.875 559 P HA 0.078 nan 4.420 nan 0.000 0.268 559 P C -0.822 176.401 177.300 -0.128 0.000 1.205 559 P CA 0.499 63.525 63.100 -0.122 0.000 0.771 559 P CB 0.429 31.997 31.700 -0.220 0.000 0.858 560 V N 3.797 123.758 119.914 0.079 0.000 2.789 560 V HA 0.258 4.382 4.120 0.006 0.000 0.311 560 V C -0.029 176.205 176.094 0.233 0.000 1.073 560 V CA -0.817 61.571 62.300 0.146 0.000 0.921 560 V CB 2.619 34.508 31.823 0.110 0.000 1.009 560 V HN 0.186 nan 8.190 nan 0.000 0.426 561 V N 2.973 123.024 119.914 0.227 0.000 2.607 561 V HA 0.617 4.741 4.120 0.006 0.000 0.289 561 V C 0.652 176.679 176.094 -0.110 0.000 1.053 561 V CA -0.281 62.031 62.300 0.021 0.000 0.996 561 V CB 1.592 33.334 31.823 -0.136 0.000 0.995 561 V HN 1.024 nan 8.190 nan 0.000 0.476 562 A N 4.537 127.278 122.820 -0.131 0.000 2.320 562 A HA 0.682 5.006 4.320 0.006 0.000 0.287 562 A C -0.874 176.665 177.584 -0.076 0.000 1.181 562 A CA -0.163 51.857 52.037 -0.029 0.000 0.831 562 A CB 0.031 19.068 19.000 0.061 0.000 1.102 562 A HN 0.711 nan 8.150 nan 0.000 0.513 563 Y N 1.104 121.497 120.300 0.155 0.000 2.719 563 Y HA 0.798 5.351 4.550 0.006 0.000 0.335 563 Y C 0.560 176.401 175.900 -0.099 0.000 1.198 563 Y CA -0.542 57.678 58.100 0.200 0.000 1.274 563 Y CB 1.197 39.828 38.460 0.284 0.000 1.500 563 Y HN 0.635 nan 8.280 nan 0.000 0.616 564 R N 0.281 120.829 120.500 0.080 0.000 2.584 564 R HA 0.316 4.660 4.340 0.006 0.000 0.276 564 R C -1.810 174.517 176.300 0.044 0.000 1.046 564 R CA -0.851 55.127 56.100 -0.203 0.000 0.906 564 R CB 1.543 31.447 30.300 -0.660 0.000 1.215 564 R HN 0.587 nan 8.270 nan 0.000 0.449 565 E N 1.159 121.386 120.200 0.046 0.000 2.156 565 E HA 0.471 4.825 4.350 0.006 0.000 0.279 565 E C -0.550 176.236 176.600 0.310 0.000 0.965 565 E CA -0.463 56.079 56.400 0.237 0.000 0.789 565 E CB 2.203 31.987 29.700 0.139 0.000 1.098 565 E HN 0.422 nan 8.360 nan 0.000 0.397 566 T N 0.672 115.426 114.554 0.333 0.000 2.816 566 T HA 0.480 4.834 4.350 0.006 0.000 0.299 566 T C -1.230 173.395 174.700 -0.125 0.000 1.230 566 T CA -0.709 61.500 62.100 0.182 0.000 1.007 566 T CB 1.476 70.388 68.868 0.073 0.000 1.289 566 T HN 0.277 nan 8.240 nan 0.000 0.508 567 V N 1.148 120.931 119.914 -0.218 0.000 2.732 567 V HA 0.795 4.919 4.120 0.006 0.000 0.310 567 V C 0.527 176.528 176.094 -0.156 0.000 1.053 567 V CA -0.519 61.574 62.300 -0.346 0.000 0.957 567 V CB 1.619 33.214 31.823 -0.380 0.000 1.018 567 V HN 0.933 nan 8.190 nan 0.000 0.452 568 E N 1.299 121.410 120.200 -0.147 0.000 2.473 568 E HA 0.286 4.639 4.350 0.006 0.000 0.204 568 E C 0.489 177.044 176.600 -0.074 0.000 0.994 568 E CA 0.810 57.161 56.400 -0.082 0.000 0.945 568 E CB 0.553 30.212 29.700 -0.068 0.000 0.990 568 E HN 1.126 nan 8.360 nan 0.000 0.493 569 S N -1.740 113.902 115.700 -0.098 0.000 2.661 569 S HA 0.313 4.786 4.470 0.006 0.000 0.268 569 S C -0.708 173.835 174.600 -0.095 0.000 1.162 569 S CA -1.122 57.028 58.200 -0.083 0.000 0.817 569 S CB 1.123 64.277 63.200 -0.076 0.000 1.141 569 S HN 0.057 nan 8.310 nan 0.000 0.477 570 E N 0.817 120.967 120.200 -0.084 0.000 2.383 570 E HA 0.366 4.719 4.350 0.006 0.000 0.264 570 E C -0.528 176.014 176.600 -0.096 0.000 1.050 570 E CA -0.369 55.980 56.400 -0.084 0.000 0.896 570 E CB 0.590 30.243 29.700 -0.078 0.000 0.982 570 E HN 0.572 nan 8.360 nan 0.000 0.424 571 S N 2.551 118.195 115.700 -0.093 0.000 2.563 571 S HA -0.070 4.404 4.470 0.006 0.000 0.294 571 S C 1.187 175.702 174.600 -0.141 0.000 1.279 571 S CA -0.003 58.126 58.200 -0.118 0.000 1.069 571 S CB 0.878 64.026 63.200 -0.087 0.000 0.828 571 S HN 0.596 nan 8.310 nan 0.000 0.497 572 S N 2.704 118.292 115.700 -0.187 0.000 2.389 572 S HA -0.220 4.253 4.470 0.006 0.000 0.231 572 S C 0.857 175.352 174.600 -0.175 0.000 1.052 572 S CA 1.663 59.752 58.200 -0.186 0.000 1.053 572 S CB -0.350 62.701 63.200 -0.249 0.000 0.886 572 S HN 0.928 nan 8.310 nan 0.000 0.456 573 Q N -1.306 118.362 119.800 -0.219 0.000 2.590 573 Q HA 0.496 4.840 4.340 0.006 0.000 0.295 573 Q C -1.340 174.603 176.000 -0.095 0.000 0.973 573 Q CA -0.894 54.817 55.803 -0.152 0.000 0.768 573 Q CB 0.821 29.443 28.738 -0.194 0.000 1.479 573 Q HN -0.119 nan 8.270 nan 0.000 0.419 574 T N 1.275 115.834 114.554 0.008 0.000 2.934 574 T HA 0.343 4.697 4.350 0.006 0.000 0.306 574 T C -0.240 174.584 174.700 0.207 0.000 1.042 574 T CA 0.599 62.756 62.100 0.096 0.000 1.145 574 T CB 0.307 69.264 68.868 0.147 0.000 0.982 574 T HN 0.571 nan 8.240 nan 0.000 0.544 575 A N 3.272 126.206 122.820 0.190 0.000 2.301 575 A HA 0.722 5.045 4.320 0.006 0.000 0.312 575 A C -0.587 177.034 177.584 0.063 0.000 1.182 575 A CA -0.692 51.509 52.037 0.273 0.000 0.826 575 A CB 0.528 19.657 19.000 0.214 0.000 1.134 575 A HN 0.725 nan 8.150 nan 0.000 0.501 576 L N 1.616 122.676 121.223 -0.272 0.000 2.388 576 L HA 0.893 5.237 4.340 0.006 0.000 0.264 576 L C -0.488 176.052 176.870 -0.551 0.000 0.998 576 L CA 0.123 54.615 54.840 -0.580 0.000 0.817 576 L CB 2.353 43.923 42.059 -0.815 0.000 1.338 576 L HN 0.547 nan 8.230 nan 0.000 0.414 577 S N 1.852 117.317 115.700 -0.391 0.000 2.537 577 S HA 0.710 5.184 4.470 0.006 0.000 0.270 577 S C -1.714 172.765 174.600 -0.203 0.000 1.142 577 S CA -0.859 57.204 58.200 -0.228 0.000 0.870 577 S CB 1.728 64.879 63.200 -0.082 0.000 1.112 577 S HN 0.802 nan 8.310 nan 0.000 0.466 578 K N 0.310 120.628 120.400 -0.137 0.000 2.375 578 K HA 0.743 5.066 4.320 0.006 0.000 0.249 578 K C -0.008 176.563 176.600 -0.048 0.000 0.942 578 K CA -0.667 55.565 56.287 -0.092 0.000 0.806 578 K CB 1.493 33.942 32.500 -0.084 0.000 1.227 578 K HN 0.539 nan 8.250 nan 0.000 0.430 579 S N 1.571 117.256 115.700 -0.025 0.000 2.592 579 S HA 0.054 4.528 4.470 0.006 0.000 0.256 579 S C -1.736 172.839 174.600 -0.042 0.000 1.369 579 S CA -0.761 57.425 58.200 -0.022 0.000 0.984 579 S CB 0.090 63.290 63.200 -0.001 0.000 0.919 579 S HN 0.572 nan 8.310 nan 0.000 0.576 580 P HA -0.054 nan 4.420 nan 0.000 0.217 580 P C 1.029 178.262 177.300 -0.112 0.000 1.150 580 P CA 1.042 64.101 63.100 -0.067 0.000 0.832 580 P CB -0.128 31.536 31.700 -0.060 0.000 0.787 581 N N 0.043 118.653 118.700 -0.150 0.000 2.021 581 N HA -0.180 4.564 4.740 0.006 0.000 0.198 581 N C 0.640 175.935 175.510 -0.358 0.000 1.041 581 N CA 1.352 54.200 53.050 -0.337 0.000 0.862 581 N CB -0.419 37.877 38.487 -0.318 0.000 1.048 581 N HN 0.077 nan 8.380 nan 0.000 0.427 582 K N -2.364 117.949 120.400 -0.145 0.000 3.339 582 K HA -0.136 4.188 4.320 0.006 0.000 0.276 582 K C -0.119 176.556 176.600 0.125 0.000 1.375 582 K CA 0.458 56.729 56.287 -0.027 0.000 0.850 582 K CB -2.136 30.343 32.500 -0.036 0.000 1.665 582 K HN 0.583 nan 8.250 nan 0.000 0.503 583 H N -0.123 118.983 119.070 0.060 0.000 2.592 583 H HA 0.125 4.684 4.556 0.006 0.000 0.265 583 H C 0.121 175.504 175.328 0.093 0.000 0.955 583 H CA 0.014 56.128 56.048 0.110 0.000 1.175 583 H CB 0.428 30.322 29.762 0.220 0.000 1.433 583 H HN 0.238 nan 8.280 nan 0.000 0.537 584 N N 0.610 119.417 118.700 0.178 0.000 2.238 584 N HA 0.432 5.175 4.740 0.006 0.000 0.302 584 N C -1.096 174.441 175.510 0.046 0.000 1.072 584 N CA -0.740 52.379 53.050 0.115 0.000 0.792 584 N CB 2.198 40.750 38.487 0.108 0.000 1.425 584 N HN 0.019 nan 8.380 nan 0.000 0.478 585 R N 1.001 121.523 120.500 0.037 0.000 2.673 585 R HA 0.616 4.960 4.340 0.006 0.000 0.281 585 R C -1.117 175.163 176.300 -0.032 0.000 0.991 585 R CA -0.695 55.367 56.100 -0.063 0.000 0.896 585 R CB 2.122 32.362 30.300 -0.099 0.000 1.201 585 R HN 0.448 nan 8.270 nan 0.000 0.457 586 I N 2.582 123.063 120.570 -0.149 0.000 2.447 586 I HA 0.339 4.513 4.170 0.006 0.000 0.287 586 I C -1.173 174.852 176.117 -0.152 0.000 1.023 586 I CA -0.775 60.496 61.300 -0.048 0.000 1.083 586 I CB 1.530 39.522 38.000 -0.013 0.000 1.245 586 I HN 0.487 nan 8.210 nan 0.000 0.434 587 Y N 7.170 127.447 120.300 -0.038 0.000 2.328 587 Y HA 0.647 5.201 4.550 0.006 0.000 0.337 587 Y C -0.202 175.676 175.900 -0.037 0.000 0.966 587 Y CA -0.915 57.163 58.100 -0.036 0.000 1.136 587 Y CB 1.562 40.001 38.460 -0.035 0.000 1.170 587 Y HN 0.391 nan 8.280 nan 0.000 0.470 588 L N 0.277 121.568 121.223 0.113 0.000 2.510 588 L HA 0.802 5.146 4.340 0.006 0.000 0.252 588 L C -1.537 175.364 176.870 0.052 0.000 1.091 588 L CA -1.563 53.309 54.840 0.053 0.000 0.888 588 L CB 2.124 44.198 42.059 0.024 0.000 1.507 588 L HN 0.407 nan 8.230 nan 0.000 0.407 589 K N -0.098 120.313 120.400 0.018 0.000 2.523 589 K HA 0.903 5.227 4.320 0.006 0.000 0.257 589 K C -1.576 175.029 176.600 0.008 0.000 0.932 589 K CA -0.380 55.912 56.287 0.008 0.000 0.812 589 K CB 2.319 34.807 32.500 -0.020 0.000 1.326 589 K HN 1.125 nan 8.250 nan 0.000 0.433 590 A N 2.544 125.376 122.820 0.019 0.000 2.320 590 A HA 0.687 5.011 4.320 0.006 0.000 0.334 590 A C -1.122 176.452 177.584 -0.016 0.000 1.147 590 A CA -0.402 51.656 52.037 0.036 0.000 0.820 590 A CB 0.844 19.900 19.000 0.093 0.000 1.218 590 A HN 0.845 nan 8.150 nan 0.000 0.482 591 E N 0.671 120.866 120.200 -0.009 0.000 2.423 591 E HA 0.576 4.930 4.350 0.006 0.000 0.280 591 E C -3.185 173.409 176.600 -0.011 0.000 1.030 591 E CA -2.095 54.283 56.400 -0.038 0.000 0.812 591 E CB 1.433 31.094 29.700 -0.064 0.000 1.313 591 E HN 0.274 nan 8.360 nan 0.000 0.456 592 P HA 0.158 nan 4.420 nan 0.000 0.272 592 P C -0.619 176.713 177.300 0.054 0.000 1.223 592 P CA -0.156 62.950 63.100 0.011 0.000 0.784 592 P CB 0.441 32.138 31.700 -0.005 0.000 0.923 593 I N 1.942 122.568 120.570 0.093 0.000 2.493 593 I HA 0.236 4.410 4.170 0.006 0.000 0.298 593 I C 0.294 176.488 176.117 0.128 0.000 0.998 593 I CA -0.590 60.802 61.300 0.153 0.000 1.137 593 I CB 1.279 39.371 38.000 0.154 0.000 1.310 593 I HN 0.217 nan 8.210 nan 0.000 0.445 594 D N 5.341 125.837 120.400 0.160 0.000 2.389 594 D HA 0.026 4.670 4.640 0.006 0.000 0.247 594 D C 1.107 177.483 176.300 0.127 0.000 1.128 594 D CA -0.258 53.825 54.000 0.137 0.000 0.884 594 D CB 1.669 42.571 40.800 0.170 0.000 1.194 594 D HN 0.425 nan 8.370 nan 0.000 0.441 595 E N 1.446 121.713 120.200 0.113 0.000 2.187 595 E HA -0.221 4.132 4.350 0.006 0.000 0.199 595 E C 1.421 178.093 176.600 0.120 0.000 1.004 595 E CA 1.101 57.570 56.400 0.116 0.000 0.813 595 E CB 0.279 30.046 29.700 0.112 0.000 0.736 595 E HN 0.459 nan 8.360 nan 0.000 0.468 596 E N -0.056 120.229 120.200 0.141 0.000 2.058 596 E HA -0.142 4.211 4.350 0.006 0.000 0.194 596 E C 2.304 178.972 176.600 0.113 0.000 0.997 596 E CA 1.189 57.700 56.400 0.186 0.000 0.801 596 E CB -0.132 29.736 29.700 0.280 0.000 0.746 596 E HN 0.198 nan 8.360 nan 0.000 0.450 597 V N 0.645 120.588 119.914 0.048 0.000 2.379 597 V HA -0.157 3.967 4.120 0.006 0.000 0.245 597 V C 2.426 178.472 176.094 -0.081 0.000 1.044 597 V CA 1.578 63.779 62.300 -0.165 0.000 1.036 597 V CB -0.747 31.043 31.823 -0.055 0.000 0.664 597 V HN 0.089 nan 8.190 nan 0.000 0.453 598 S N 0.646 116.363 115.700 0.029 0.000 2.359 598 S HA -0.152 4.322 4.470 0.006 0.000 0.224 598 S C 1.931 176.572 174.600 0.069 0.000 1.035 598 S CA 1.590 59.826 58.200 0.061 0.000 1.018 598 S CB -0.430 62.825 63.200 0.091 0.000 0.876 598 S HN 0.352 nan 8.310 nan 0.000 0.448 599 L N 1.606 122.878 121.223 0.081 0.000 2.017 599 L HA -0.006 4.338 4.340 0.006 0.000 0.208 599 L C 2.639 179.539 176.870 0.050 0.000 1.073 599 L CA 1.762 56.659 54.840 0.094 0.000 0.745 599 L CB -1.476 40.648 42.059 0.108 0.000 0.894 599 L HN 0.309 nan 8.230 nan 0.000 0.432 600 A N -0.833 121.977 122.820 -0.017 0.000 2.024 600 A HA -0.186 4.138 4.320 0.006 0.000 0.220 600 A C 2.321 179.867 177.584 -0.063 0.000 1.164 600 A CA 1.747 53.735 52.037 -0.082 0.000 0.643 600 A CB -0.661 18.103 19.000 -0.394 0.000 0.806 600 A HN 0.428 nan 8.150 nan 0.000 0.451 601 I N -1.139 119.411 120.570 -0.034 0.000 2.333 601 I HA -0.164 4.009 4.170 0.006 0.000 0.246 601 I C 2.319 178.455 176.117 0.031 0.000 1.106 601 I CA 1.205 62.522 61.300 0.029 0.000 1.411 601 I CB -0.374 37.700 38.000 0.125 0.000 1.082 601 I HN 0.346 nan 8.210 nan 0.000 0.420 602 E N 0.861 121.096 120.200 0.058 0.000 2.338 602 E HA -0.128 4.226 4.350 0.006 0.000 0.197 602 E C 0.710 177.351 176.600 0.068 0.000 1.007 602 E CA 0.628 57.074 56.400 0.076 0.000 0.849 602 E CB 0.056 29.831 29.700 0.126 0.000 0.774 602 E HN 0.413 nan 8.360 nan 0.000 0.506 603 N N -0.556 118.177 118.700 0.056 0.000 2.273 603 N HA 0.081 4.824 4.740 0.006 0.000 0.231 603 N C 0.638 176.174 175.510 0.044 0.000 1.134 603 N CA 0.672 53.757 53.050 0.058 0.000 0.856 603 N CB 1.328 39.852 38.487 0.061 0.000 1.068 603 N HN 0.206 nan 8.380 nan 0.000 0.510 604 G N 1.134 109.948 108.800 0.024 0.000 2.228 604 G HA2 -0.351 3.613 3.960 0.006 0.000 0.270 604 G HA3 -0.351 3.613 3.960 0.006 0.000 0.270 604 G C 1.124 176.023 174.900 -0.002 0.000 0.976 604 G CA 0.705 45.811 45.100 0.010 0.000 0.636 604 G HN 0.409 nan 8.290 nan 0.000 0.542 605 I N 0.653 121.227 120.570 0.007 0.000 2.090 605 I HA -0.050 4.124 4.170 0.006 0.000 0.236 605 I C 1.342 177.454 176.117 -0.008 0.000 1.064 605 I CA 0.973 62.285 61.300 0.019 0.000 1.324 605 I CB -0.280 37.755 38.000 0.057 0.000 1.044 605 I HN 0.067 nan 8.210 nan 0.000 0.399 606 I N 2.738 123.278 120.570 -0.050 0.000 2.363 606 I HA 0.087 4.261 4.170 0.006 0.000 0.292 606 I C -0.171 175.913 176.117 -0.056 0.000 1.075 606 I CA 0.404 61.679 61.300 -0.041 0.000 1.333 606 I CB -0.497 37.463 38.000 -0.067 0.000 1.415 606 I HN 0.287 nan 8.210 nan 0.000 0.502 607 N N 8.634 127.285 118.700 -0.082 0.000 2.314 607 N HA 0.363 5.107 4.740 0.006 0.000 0.294 607 N C -2.071 173.244 175.510 -0.326 0.000 1.029 607 N CA -1.644 51.276 53.050 -0.216 0.000 0.845 607 N CB 3.111 41.536 38.487 -0.104 0.000 1.321 607 N HN 0.120 nan 8.380 nan 0.000 0.481 608 P HA -0.048 nan 4.420 nan 0.000 0.220 608 P C 0.708 177.918 177.300 -0.150 0.000 1.148 608 P CA 1.209 63.957 63.100 -0.586 0.000 0.803 608 P CB 0.346 31.631 31.700 -0.691 0.000 0.782 609 R N -1.570 118.857 120.500 -0.122 0.000 2.280 609 R HA 0.138 4.482 4.340 0.006 0.000 0.195 609 R C 0.180 176.483 176.300 0.006 0.000 0.935 609 R CA 0.181 56.261 56.100 -0.033 0.000 1.033 609 R CB -0.726 29.557 30.300 -0.028 0.000 0.964 609 R HN 0.212 nan 8.270 nan 0.000 0.489 610 D N 2.487 122.888 120.400 0.002 0.000 2.354 610 D HA -0.052 4.592 4.640 0.006 0.000 0.238 610 D C -0.311 176.021 176.300 0.053 0.000 1.250 610 D CA 0.117 54.129 54.000 0.021 0.000 0.911 610 D CB 0.365 41.176 40.800 0.018 0.000 1.163 610 D HN 0.026 nan 8.370 nan 0.000 0.456 611 D N -0.442 119.967 120.400 0.015 0.000 2.371 611 D HA -0.012 4.632 4.640 0.006 0.000 0.256 611 D C 1.242 177.522 176.300 -0.033 0.000 1.193 611 D CA -0.392 53.596 54.000 -0.019 0.000 0.881 611 D CB 0.128 40.862 40.800 -0.109 0.000 1.143 611 D HN 0.327 nan 8.370 nan 0.000 0.473 612 F N 3.328 123.308 119.950 0.050 0.000 2.147 612 F HA -0.214 4.317 4.527 0.006 0.000 0.301 612 F C 1.595 177.428 175.800 0.055 0.000 1.084 612 F CA 1.033 59.072 58.000 0.064 0.000 1.268 612 F CB -0.485 38.560 39.000 0.074 0.000 1.009 612 F HN 0.265 nan 8.300 nan 0.000 0.486 613 K N 0.993 120.898 120.400 -0.826 0.000 2.007 613 K HA 0.023 4.347 4.320 0.006 0.000 0.206 613 K C 2.569 179.055 176.600 -0.190 0.000 1.047 613 K CA 1.130 57.117 56.287 -0.501 0.000 0.937 613 K CB -0.644 31.481 32.500 -0.625 0.000 0.718 613 K HN 0.369 nan 8.250 nan 0.000 0.438 614 A N 1.852 124.569 122.820 -0.172 0.000 1.908 614 A HA -0.216 4.107 4.320 0.006 0.000 0.218 614 A C 2.140 179.709 177.584 -0.025 0.000 1.181 614 A CA 1.637 53.627 52.037 -0.077 0.000 0.627 614 A CB -0.521 18.440 19.000 -0.065 0.000 0.818 614 A HN 0.248 nan 8.150 nan 0.000 0.445 615 R N -0.473 120.022 120.500 -0.008 0.000 2.092 615 R HA -0.059 4.284 4.340 0.006 0.000 0.231 615 R C 2.285 178.603 176.300 0.031 0.000 1.119 615 R CA 1.347 57.463 56.100 0.027 0.000 0.970 615 R CB -0.394 29.946 30.300 0.066 0.000 0.864 615 R HN 0.435 nan 8.270 nan 0.000 0.440 616 A N 1.061 123.908 122.820 0.045 0.000 1.877 616 A HA -0.195 4.128 4.320 0.006 0.000 0.216 616 A C 2.157 179.785 177.584 0.073 0.000 1.186 616 A CA 1.521 53.602 52.037 0.074 0.000 0.620 616 A CB -0.515 18.555 19.000 0.117 0.000 0.822 616 A HN 0.278 nan 8.150 nan 0.000 0.443 617 R N 0.039 120.566 120.500 0.046 0.000 2.096 617 R HA -0.127 4.216 4.340 0.006 0.000 0.240 617 R C 1.834 178.173 176.300 0.066 0.000 1.139 617 R CA 1.842 57.969 56.100 0.046 0.000 0.952 617 R CB -0.555 29.753 30.300 0.015 0.000 0.854 617 R HN 0.505 nan 8.270 nan 0.000 0.436 618 I N 0.063 120.675 120.570 0.070 0.000 2.142 618 I HA -0.271 3.903 4.170 0.006 0.000 0.240 618 I C 2.291 178.532 176.117 0.207 0.000 1.078 618 I CA 1.626 62.996 61.300 0.116 0.000 1.343 618 I CB -0.926 37.143 38.000 0.115 0.000 1.046 618 I HN 0.295 nan 8.210 nan 0.000 0.405 619 M N 0.150 119.839 119.600 0.148 0.000 2.213 619 M HA -0.178 4.305 4.480 0.006 0.000 0.263 619 M C 2.383 178.852 176.300 0.282 0.000 1.062 619 M CA 1.883 57.268 55.300 0.142 0.000 1.105 619 M CB -0.318 32.145 32.600 -0.228 0.000 1.385 619 M HN 0.279 nan 8.290 nan 0.000 0.417 620 A N 0.533 123.486 122.820 0.222 0.000 1.841 620 A HA -0.159 4.165 4.320 0.006 0.000 0.214 620 A C 1.709 179.384 177.584 0.152 0.000 1.195 620 A CA 1.859 54.026 52.037 0.217 0.000 0.611 620 A CB -0.708 18.384 19.000 0.154 0.000 0.835 620 A HN 0.350 nan 8.150 nan 0.000 0.443 621 D N 0.541 120.999 120.400 0.097 0.000 2.077 621 D HA -0.111 4.533 4.640 0.006 0.000 0.193 621 D C 1.147 177.435 176.300 -0.021 0.000 0.989 621 D CA 1.575 55.597 54.000 0.037 0.000 0.831 621 D CB -0.520 40.291 40.800 0.019 0.000 0.979 621 D HN 0.425 nan 8.370 nan 0.000 0.449 622 D N -1.071 119.280 120.400 -0.083 0.000 2.347 622 D HA -0.053 4.590 4.640 0.006 0.000 0.213 622 D C 0.746 176.656 176.300 -0.650 0.000 0.985 622 D CA 0.483 54.259 54.000 -0.373 0.000 0.879 622 D CB 0.073 40.562 40.800 -0.520 0.000 0.919 622 D HN 0.378 nan 8.370 nan 0.000 0.526 623 Y N -0.438 119.920 120.300 0.096 0.000 2.626 623 Y HA 0.335 4.889 4.550 0.006 0.000 0.248 623 Y C 1.276 177.326 175.900 0.251 0.000 1.147 623 Y CA -0.507 57.686 58.100 0.156 0.000 1.219 623 Y CB 0.790 39.328 38.460 0.130 0.000 1.279 623 Y HN -0.092 nan 8.280 nan 0.000 0.541 624 G N 0.640 109.596 108.800 0.259 0.000 2.372 624 G HA2 -0.308 3.656 3.960 0.006 0.000 0.297 624 G HA3 -0.308 3.656 3.960 0.006 0.000 0.297 624 G C -0.629 174.425 174.900 0.257 0.000 1.005 624 G CA -0.095 45.127 45.100 0.203 0.000 1.173 624 G HN 0.334 nan 8.290 nan 0.000 0.511 625 W N -0.113 121.234 121.300 0.078 0.000 2.606 625 W HA 0.535 5.198 4.660 0.006 0.000 0.332 625 W C -0.063 176.482 176.519 0.043 0.000 1.052 625 W CA -0.887 56.494 57.345 0.060 0.000 1.223 625 W CB 1.254 30.759 29.460 0.075 0.000 1.383 625 W HN 0.147 nan 8.180 nan 0.000 0.524 626 D N 2.060 122.530 120.400 0.117 0.000 2.382 626 D HA -0.042 4.602 4.640 0.006 0.000 0.259 626 D C 1.261 177.673 176.300 0.186 0.000 1.224 626 D CA 0.347 54.403 54.000 0.095 0.000 0.894 626 D CB 1.629 42.433 40.800 0.006 0.000 1.127 626 D HN 0.227 nan 8.370 nan 0.000 0.487 627 V N 3.602 123.613 119.914 0.161 0.000 2.660 627 V HA -0.271 3.852 4.120 0.006 0.000 0.257 627 V C 1.956 178.145 176.094 0.159 0.000 1.088 627 V CA 2.023 64.422 62.300 0.165 0.000 1.106 627 V CB -0.223 31.670 31.823 0.117 0.000 0.686 627 V HN 0.632 nan 8.190 nan 0.000 0.481 628 T N -0.234 114.393 114.554 0.123 0.000 2.674 628 T HA -0.160 4.194 4.350 0.006 0.000 0.265 628 T C 1.594 176.365 174.700 0.119 0.000 1.039 628 T CA 1.764 63.924 62.100 0.099 0.000 1.150 628 T CB -0.335 68.565 68.868 0.053 0.000 0.864 628 T HN 0.578 nan 8.240 nan 0.000 0.427 629 D N 1.348 121.828 120.400 0.132 0.000 2.084 629 D HA -0.044 4.599 4.640 0.006 0.000 0.194 629 D C 2.408 178.877 176.300 0.281 0.000 0.990 629 D CA 1.361 55.462 54.000 0.167 0.000 0.826 629 D CB -0.598 40.275 40.800 0.120 0.000 0.971 629 D HN 0.368 nan 8.370 nan 0.000 0.453 630 A N 1.135 124.193 122.820 0.396 0.000 1.986 630 A HA -0.232 4.091 4.320 0.006 0.000 0.220 630 A C 2.097 179.802 177.584 0.201 0.000 1.171 630 A CA 1.454 53.649 52.037 0.264 0.000 0.640 630 A CB -0.555 18.572 19.000 0.212 0.000 0.811 630 A HN 0.190 nan 8.150 nan 0.000 0.451 631 R N -0.813 119.825 120.500 0.230 0.000 2.276 631 R HA 0.042 4.386 4.340 0.006 0.000 0.203 631 R C 0.547 176.957 176.300 0.184 0.000 1.017 631 R CA 0.682 56.969 56.100 0.311 0.000 1.010 631 R CB 0.056 30.564 30.300 0.346 0.000 0.900 631 R HN 0.211 nan 8.270 nan 0.000 0.469 632 K N 0.992 121.474 120.400 0.138 0.000 2.570 632 K HA 0.218 4.542 4.320 0.006 0.000 0.210 632 K C 0.011 176.678 176.600 0.113 0.000 1.048 632 K CA 0.001 56.345 56.287 0.095 0.000 1.167 632 K CB 0.366 32.877 32.500 0.019 0.000 0.892 632 K HN 0.168 nan 8.250 nan 0.000 0.480 633 I N 0.855 121.505 120.570 0.132 0.000 2.517 633 I HA -0.080 4.093 4.170 0.006 0.000 0.285 633 I C 0.837 177.104 176.117 0.249 0.000 1.106 633 I CA -0.186 61.167 61.300 0.089 0.000 1.402 633 I CB 0.429 38.422 38.000 -0.011 0.000 1.399 633 I HN 0.155 nan 8.210 nan 0.000 0.535 634 W N 6.326 127.576 121.300 -0.084 0.000 2.576 634 W HA 0.125 4.788 4.660 0.006 0.000 0.275 634 W C 0.749 177.267 176.519 -0.001 0.000 1.241 634 W CA -0.268 57.046 57.345 -0.053 0.000 1.328 634 W CB 0.010 29.422 29.460 -0.081 0.000 1.092 634 W HN 0.685 nan 8.180 nan 0.000 0.586 635 C N -3.592 115.825 119.300 0.194 0.000 3.197 635 C HA 0.540 5.004 4.460 0.006 0.000 0.343 635 C C -0.529 174.606 174.990 0.240 0.000 1.291 635 C CA -1.955 57.214 59.018 0.251 0.000 1.191 635 C CB 0.086 27.970 27.740 0.241 0.000 1.444 635 C HN -0.057 nan 8.230 nan 0.000 0.468 636 F N 0.958 121.007 119.950 0.165 0.000 2.525 636 F HA 0.903 5.434 4.527 0.006 0.000 0.346 636 F C 1.145 177.097 175.800 0.254 0.000 1.072 636 F CA 0.554 58.673 58.000 0.198 0.000 1.033 636 F CB 2.311 41.361 39.000 0.084 0.000 1.324 636 F HN 1.234 nan 8.300 nan 0.000 0.491 637 G N 0.510 109.530 108.800 0.366 0.000 2.519 637 G HA2 0.489 4.452 3.960 0.006 0.000 0.292 637 G HA3 0.489 4.452 3.960 0.006 0.000 0.292 637 G C -3.377 171.478 174.900 -0.075 0.000 1.507 637 G CA -1.092 44.035 45.100 0.045 0.000 0.806 637 G HN 0.194 nan 8.290 nan 0.000 0.523 638 P HA 0.207 nan 4.420 nan 0.000 0.288 638 P C -0.282 176.924 177.300 -0.158 0.000 1.291 638 P CA -0.064 62.901 63.100 -0.225 0.000 0.766 638 P CB 0.323 31.869 31.700 -0.257 0.000 1.242 639 D N -1.143 119.130 120.400 -0.211 0.000 2.739 639 D HA -0.219 4.425 4.640 0.006 0.000 0.230 639 D C 0.944 177.187 176.300 -0.095 0.000 1.167 639 D CA 1.569 55.468 54.000 -0.168 0.000 0.640 639 D CB -1.785 38.918 40.800 -0.163 0.000 1.045 639 D HN 0.854 nan 8.370 nan 0.000 0.421 640 G N 1.222 109.991 108.800 -0.051 0.000 2.244 640 G HA2 -0.384 3.580 3.960 0.006 0.000 0.274 640 G HA3 -0.384 3.580 3.960 0.006 0.000 0.274 640 G C 0.685 175.604 174.900 0.031 0.000 1.002 640 G CA 1.345 46.465 45.100 0.032 0.000 0.740 640 G HN 0.699 nan 8.290 nan 0.000 0.516 641 N N -1.752 116.956 118.700 0.013 0.000 1.986 641 N HA 0.269 5.013 4.740 0.006 0.000 0.227 641 N C 1.018 176.549 175.510 0.034 0.000 1.387 641 N CA 0.644 53.648 53.050 -0.076 0.000 0.810 641 N CB -0.382 38.024 38.487 -0.135 0.000 1.140 641 N HN 0.663 nan 8.380 nan 0.000 0.504 642 G N 1.269 110.121 108.800 0.086 0.000 2.636 642 G HA2 0.288 4.251 3.960 0.006 0.000 0.246 642 G HA3 0.288 4.251 3.960 0.006 0.000 0.246 642 G C -1.993 173.022 174.900 0.192 0.000 1.216 642 G CA -0.984 44.163 45.100 0.078 0.000 0.854 642 G HN 0.083 nan 8.290 nan 0.000 0.572 643 P HA 0.077 nan 4.420 nan 0.000 0.225 643 P C -0.913 176.458 177.300 0.118 0.000 1.768 643 P CA -0.027 63.152 63.100 0.131 0.000 0.943 643 P CB -0.432 31.314 31.700 0.076 0.000 1.936 644 N N 0.261 119.063 118.700 0.169 0.000 2.308 644 N HA 0.572 5.315 4.740 0.006 0.000 0.283 644 N C -1.008 174.659 175.510 0.262 0.000 1.105 644 N CA -0.608 52.584 53.050 0.237 0.000 0.840 644 N CB 1.928 40.564 38.487 0.248 0.000 1.633 644 N HN -0.034 nan 8.380 nan 0.000 0.476 645 L N 0.519 121.839 121.223 0.162 0.000 2.359 645 L HA 0.771 5.115 4.340 0.006 0.000 0.256 645 L C -1.141 175.516 176.870 -0.355 0.000 1.026 645 L CA -1.141 53.615 54.840 -0.141 0.000 0.828 645 L CB 2.270 44.167 42.059 -0.270 0.000 1.406 645 L HN 0.173 nan 8.230 nan 0.000 0.413 646 V N 2.785 122.414 119.914 -0.475 0.000 2.483 646 V HA 0.468 4.592 4.120 0.006 0.000 0.297 646 V C -0.607 175.338 176.094 -0.248 0.000 1.027 646 V CA -0.420 61.582 62.300 -0.496 0.000 0.855 646 V CB 2.043 33.498 31.823 -0.613 0.000 0.995 646 V HN 0.363 nan 8.190 nan 0.000 0.424 647 I N 3.540 123.975 120.570 -0.224 0.000 2.378 647 I HA 0.329 4.503 4.170 0.006 0.000 0.291 647 I C -0.091 175.813 176.117 -0.356 0.000 0.992 647 I CA -0.461 60.730 61.300 -0.181 0.000 1.154 647 I CB 1.735 39.704 38.000 -0.051 0.000 1.315 647 I HN 0.679 nan 8.210 nan 0.000 0.448 648 D N 6.127 126.215 120.400 -0.520 0.000 2.453 648 D HA 0.117 4.761 4.640 0.006 0.000 0.223 648 D C 0.342 176.433 176.300 -0.349 0.000 1.183 648 D CA 0.062 53.637 54.000 -0.709 0.000 0.933 648 D CB 0.577 40.691 40.800 -1.142 0.000 1.038 648 D HN 0.435 nan 8.370 nan 0.000 0.513 649 Q N 1.983 121.623 119.800 -0.267 0.000 2.222 649 Q HA 0.081 4.425 4.340 0.006 0.000 0.206 649 Q C 0.538 176.455 176.000 -0.139 0.000 0.877 649 Q CA -0.125 55.580 55.803 -0.163 0.000 0.958 649 Q CB 0.321 28.979 28.738 -0.133 0.000 1.075 649 Q HN 0.611 nan 8.270 nan 0.000 0.483 650 T N -1.023 113.433 114.554 -0.163 0.000 2.802 650 T HA 0.229 4.582 4.350 0.006 0.000 0.305 650 T C -0.005 174.650 174.700 -0.075 0.000 1.053 650 T CA -0.382 61.650 62.100 -0.113 0.000 1.058 650 T CB 1.069 69.876 68.868 -0.102 0.000 0.988 650 T HN -0.025 nan 8.240 nan 0.000 0.539 651 K N 1.106 121.469 120.400 -0.061 0.000 2.545 651 K HA 0.581 4.905 4.320 0.006 0.000 0.252 651 K C -0.021 176.558 176.600 -0.034 0.000 0.948 651 K CA -0.550 55.711 56.287 -0.043 0.000 0.827 651 K CB 1.735 34.205 32.500 -0.050 0.000 1.128 651 K HN 1.020 nan 8.250 nan 0.000 0.429 652 A N 1.395 124.206 122.820 -0.015 0.000 2.687 652 A HA -0.134 4.190 4.320 0.006 0.000 0.299 652 A C -0.222 177.351 177.584 -0.018 0.000 1.497 652 A CA 0.312 52.342 52.037 -0.012 0.000 0.751 652 A CB -1.774 17.212 19.000 -0.023 0.000 1.048 652 A HN 0.336 nan 8.150 nan 0.000 0.464 653 V N 1.969 121.884 119.914 0.002 0.000 2.318 653 V HA 0.262 4.386 4.120 0.006 0.000 0.271 653 V C 0.758 176.861 176.094 0.015 0.000 1.030 653 V CA 0.280 62.579 62.300 -0.002 0.000 0.844 653 V CB 1.351 33.185 31.823 0.018 0.000 1.015 653 V HN 0.782 nan 8.190 nan 0.000 0.460 654 Q N 4.191 123.952 119.800 -0.065 0.000 2.361 654 Q HA 0.010 4.354 4.340 0.006 0.000 0.276 654 Q C -0.020 175.952 176.000 -0.047 0.000 1.022 654 Q CA 0.160 55.889 55.803 -0.124 0.000 0.898 654 Q CB 0.194 28.690 28.738 -0.404 0.000 1.246 654 Q HN 0.703 nan 8.270 nan 0.000 0.410 655 Y N 0.566 120.887 120.300 0.035 0.000 4.929 655 Y HA -0.328 4.225 4.550 0.006 0.000 0.253 655 Y C 0.851 176.642 175.900 -0.182 0.000 0.946 655 Y CA 0.699 58.727 58.100 -0.121 0.000 1.905 655 Y CB -2.181 36.234 38.460 -0.075 0.000 1.400 655 Y HN 0.743 nan 8.280 nan 0.000 0.531 656 L N 1.818 123.135 121.223 0.158 0.000 2.034 656 L HA -0.258 4.086 4.340 0.006 0.000 0.217 656 L C 2.842 179.823 176.870 0.185 0.000 1.077 656 L CA 2.973 57.933 54.840 0.200 0.000 0.769 656 L CB -0.796 41.419 42.059 0.260 0.000 0.890 656 L HN 0.601 nan 8.230 nan 0.000 0.435 657 H N -1.060 118.119 119.070 0.181 0.000 2.518 657 H HA -0.083 4.477 4.556 0.006 0.000 0.289 657 H C 1.329 176.657 175.328 -0.000 0.000 1.051 657 H CA 1.322 57.404 56.048 0.056 0.000 1.280 657 H CB -0.602 29.174 29.762 0.023 0.000 1.380 657 H HN 0.603 nan 8.280 nan 0.000 0.566 658 E N 1.022 120.953 120.200 -0.448 0.000 2.502 658 E HA 0.066 4.419 4.350 0.006 0.000 0.194 658 E C 1.614 178.159 176.600 -0.092 0.000 1.062 658 E CA 0.627 56.871 56.400 -0.260 0.000 0.867 658 E CB 0.161 29.673 29.700 -0.313 0.000 0.888 658 E HN 0.767 nan 8.360 nan 0.000 0.510 659 I N -3.303 117.253 120.570 -0.024 0.000 4.240 659 I HA 0.193 4.367 4.170 0.006 0.000 0.331 659 I C 1.904 178.044 176.117 0.038 0.000 1.381 659 I CA -0.379 60.945 61.300 0.041 0.000 1.136 659 I CB 0.291 38.357 38.000 0.110 0.000 1.137 659 I HN -0.203 nan 8.210 nan 0.000 0.411 660 K N 2.005 122.346 120.400 -0.098 0.000 2.020 660 K HA -0.226 4.098 4.320 0.006 0.000 0.212 660 K C 1.398 177.849 176.600 -0.248 0.000 1.050 660 K CA 2.565 58.586 56.287 -0.444 0.000 0.929 660 K CB -0.085 31.878 32.500 -0.895 0.000 0.714 660 K HN 0.335 nan 8.250 nan 0.000 0.443 661 D N -0.019 120.286 120.400 -0.158 0.000 2.178 661 D HA -0.102 4.541 4.640 0.006 0.000 0.201 661 D C 1.944 178.242 176.300 -0.003 0.000 0.980 661 D CA 1.126 55.078 54.000 -0.080 0.000 0.842 661 D CB -0.080 40.686 40.800 -0.056 0.000 0.948 661 D HN 0.197 nan 8.370 nan 0.000 0.472 662 S N -0.113 115.600 115.700 0.020 0.000 2.357 662 S HA -0.066 4.408 4.470 0.006 0.000 0.221 662 S C 2.374 177.041 174.600 0.111 0.000 1.031 662 S CA 0.319 58.558 58.200 0.064 0.000 0.982 662 S CB -0.226 63.009 63.200 0.058 0.000 0.853 662 S HN 0.068 nan 8.310 nan 0.000 0.458 663 V N 2.033 122.033 119.914 0.144 0.000 2.252 663 V HA -0.191 3.932 4.120 0.006 0.000 0.249 663 V C 2.392 178.629 176.094 0.238 0.000 1.056 663 V CA 1.705 64.141 62.300 0.226 0.000 1.022 663 V CB -0.841 31.230 31.823 0.412 0.000 0.641 663 V HN 0.338 nan 8.190 nan 0.000 0.445 664 V N 0.208 120.238 119.914 0.193 0.000 2.324 664 V HA -0.313 3.810 4.120 0.006 0.000 0.250 664 V C 2.672 178.889 176.094 0.204 0.000 1.060 664 V CA 2.151 64.574 62.300 0.205 0.000 1.042 664 V CB -1.255 30.621 31.823 0.088 0.000 0.650 664 V HN 0.588 nan 8.190 nan 0.000 0.450 665 A N 0.012 122.921 122.820 0.148 0.000 1.877 665 A HA -0.136 4.188 4.320 0.006 0.000 0.216 665 A C 2.459 180.180 177.584 0.229 0.000 1.186 665 A CA 2.205 54.336 52.037 0.155 0.000 0.620 665 A CB -0.900 18.192 19.000 0.153 0.000 0.822 665 A HN 0.593 nan 8.150 nan 0.000 0.443 666 A N -1.389 121.563 122.820 0.221 0.000 1.908 666 A HA -0.098 4.225 4.320 0.006 0.000 0.218 666 A C 2.036 179.752 177.584 0.220 0.000 1.181 666 A CA 1.727 53.889 52.037 0.209 0.000 0.627 666 A CB -0.736 18.347 19.000 0.139 0.000 0.818 666 A HN 0.634 nan 8.150 nan 0.000 0.445 667 F N 0.646 120.646 119.950 0.083 0.000 2.171 667 F HA -0.171 4.360 4.527 0.006 0.000 0.300 667 F C 2.419 178.236 175.800 0.028 0.000 1.090 667 F CA 1.856 59.893 58.000 0.061 0.000 1.293 667 F CB -0.160 38.888 39.000 0.080 0.000 1.013 667 F HN 0.217 nan 8.300 nan 0.000 0.486 668 Q N -0.951 118.803 119.800 -0.076 0.000 2.124 668 Q HA -0.227 4.117 4.340 0.006 0.000 0.202 668 Q C 2.167 177.945 176.000 -0.370 0.000 0.977 668 Q CA 1.987 57.612 55.803 -0.297 0.000 0.850 668 Q CB -1.056 27.486 28.738 -0.327 0.000 0.901 668 Q HN 0.622 nan 8.270 nan 0.000 0.429 669 W N 0.425 121.650 121.300 -0.124 0.000 2.494 669 W HA 0.086 4.750 4.660 0.006 0.000 0.286 669 W C 2.446 178.885 176.519 -0.134 0.000 1.218 669 W CA 0.607 57.883 57.345 -0.114 0.000 1.313 669 W CB -0.277 29.135 29.460 -0.080 0.000 1.105 669 W HN 0.112 nan 8.180 nan 0.000 0.561 670 A N 0.377 123.220 122.820 0.039 0.000 1.902 670 A HA -0.244 4.080 4.320 0.006 0.000 0.217 670 A C 1.948 179.495 177.584 -0.061 0.000 1.181 670 A CA 2.582 54.632 52.037 0.020 0.000 0.623 670 A CB -1.496 17.477 19.000 -0.046 0.000 0.818 670 A HN 0.310 nan 8.150 nan 0.000 0.443 671 T N -2.622 111.727 114.554 -0.342 0.000 3.023 671 T HA -0.044 4.310 4.350 0.006 0.000 0.266 671 T C 1.740 176.284 174.700 -0.261 0.000 1.093 671 T CA 1.572 63.443 62.100 -0.383 0.000 1.129 671 T CB -0.075 68.410 68.868 -0.638 0.000 0.899 671 T HN 0.360 nan 8.240 nan 0.000 0.491 672 K N 1.896 122.169 120.400 -0.213 0.000 2.116 672 K HA 0.092 4.416 4.320 0.006 0.000 0.203 672 K C 0.514 177.053 176.600 -0.103 0.000 1.052 672 K CA 0.975 57.154 56.287 -0.180 0.000 0.952 672 K CB 0.108 32.481 32.500 -0.210 0.000 0.729 672 K HN 0.528 nan 8.250 nan 0.000 0.446 673 E N 0.242 120.425 120.200 -0.029 0.000 2.460 673 E HA 0.289 4.642 4.350 0.006 0.000 0.249 673 E C -0.841 175.709 176.600 -0.082 0.000 0.962 673 E CA -0.523 55.849 56.400 -0.046 0.000 0.787 673 E CB 1.363 31.084 29.700 0.034 0.000 1.341 673 E HN 0.369 nan 8.360 nan 0.000 0.407 674 G N 2.465 111.116 108.800 -0.248 0.000 2.616 674 G HA2 0.142 4.105 3.960 0.006 0.000 0.268 674 G HA3 0.142 4.105 3.960 0.006 0.000 0.268 674 G C -1.305 173.201 174.900 -0.657 0.000 1.213 674 G CA -0.926 43.868 45.100 -0.509 0.000 0.926 674 G HN 0.261 nan 8.290 nan 0.000 0.523 675 P HA -0.020 nan 4.420 nan 0.000 0.230 675 P C 1.599 178.760 177.300 -0.231 0.000 1.158 675 P CA 0.605 63.228 63.100 -0.794 0.000 0.769 675 P CB 0.295 31.388 31.700 -1.011 0.000 0.807 676 I N -0.237 120.283 120.570 -0.083 0.000 2.162 676 I HA -0.097 4.076 4.170 0.006 0.000 0.238 676 I C 1.651 177.952 176.117 0.307 0.000 1.076 676 I CA 1.597 62.996 61.300 0.165 0.000 1.353 676 I CB -0.289 37.889 38.000 0.297 0.000 1.063 676 I HN -0.072 nan 8.210 nan 0.000 0.408 677 F N -1.476 118.437 119.950 -0.062 0.000 2.548 677 F HA 0.560 5.091 4.527 0.006 0.000 0.379 677 F C 0.715 176.501 175.800 -0.024 0.000 1.380 677 F CA -0.223 57.773 58.000 -0.006 0.000 1.095 677 F CB -0.117 38.911 39.000 0.046 0.000 1.270 677 F HN 0.101 nan 8.300 nan 0.000 0.509 678 G N 0.204 108.933 108.800 -0.118 0.000 2.184 678 G HA2 -0.248 3.715 3.960 0.006 0.000 0.264 678 G HA3 -0.248 3.715 3.960 0.006 0.000 0.264 678 G C 0.097 174.818 174.900 -0.299 0.000 0.975 678 G CA 0.362 45.327 45.100 -0.224 0.000 0.642 678 G HN 0.469 nan 8.290 nan 0.000 0.536 679 E N 0.763 120.681 120.200 -0.471 0.000 2.345 679 E HA 0.329 4.683 4.350 0.006 0.000 0.259 679 E C 0.718 177.158 176.600 -0.266 0.000 1.117 679 E CA -0.418 55.724 56.400 -0.429 0.000 0.913 679 E CB 0.570 29.863 29.700 -0.680 0.000 1.057 679 E HN 0.590 nan 8.360 nan 0.000 0.432 680 E N 0.866 120.930 120.200 -0.226 0.000 2.404 680 E HA 0.070 4.424 4.350 0.006 0.000 0.261 680 E C 0.041 176.514 176.600 -0.212 0.000 1.074 680 E CA 0.122 56.390 56.400 -0.220 0.000 0.917 680 E CB 0.642 30.201 29.700 -0.234 0.000 0.965 680 E HN 0.221 nan 8.360 nan 0.000 0.433 681 M N 1.839 121.324 119.600 -0.191 0.000 2.288 681 M HA 0.337 4.820 4.480 0.006 0.000 0.334 681 M C 0.091 176.321 176.300 -0.117 0.000 1.150 681 M CA 0.047 55.282 55.300 -0.110 0.000 1.118 681 M CB 1.127 33.677 32.600 -0.082 0.000 1.501 681 M HN 0.335 nan 8.290 nan 0.000 0.462 682 R N 0.164 120.632 120.500 -0.053 0.000 2.535 682 R HA 0.292 4.635 4.340 0.006 0.000 0.274 682 R C -0.997 175.308 176.300 0.007 0.000 1.090 682 R CA -0.116 55.929 56.100 -0.091 0.000 0.930 682 R CB 1.361 31.490 30.300 -0.285 0.000 1.223 682 R HN 0.839 nan 8.270 nan 0.000 0.441 683 S N 0.698 116.423 115.700 0.041 0.000 3.783 683 S HA -0.123 4.351 4.470 0.006 0.000 0.360 683 S C -0.578 174.086 174.600 0.107 0.000 1.006 683 S CA 0.668 58.915 58.200 0.078 0.000 1.115 683 S CB -1.380 61.859 63.200 0.065 0.000 0.893 683 S HN 0.365 nan 8.310 nan 0.000 0.475 684 V N 1.648 121.651 119.914 0.148 0.000 2.407 684 V HA 0.515 4.639 4.120 0.006 0.000 0.291 684 V C 0.407 176.626 176.094 0.209 0.000 1.018 684 V CA -0.655 61.762 62.300 0.194 0.000 0.842 684 V CB 1.784 33.784 31.823 0.295 0.000 0.996 684 V HN 0.533 nan 8.190 nan 0.000 0.426 685 R N 4.110 124.699 120.500 0.148 0.000 2.346 685 R HA 0.745 5.089 4.340 0.006 0.000 0.311 685 R C -1.605 174.736 176.300 0.068 0.000 0.983 685 R CA -0.345 55.821 56.100 0.111 0.000 0.880 685 R CB 1.707 32.063 30.300 0.093 0.000 1.100 685 R HN 0.490 nan 8.270 nan 0.000 0.453 686 V N 4.621 124.533 119.914 -0.003 0.000 2.407 686 V HA 0.299 4.423 4.120 0.006 0.000 0.291 686 V C -0.822 175.202 176.094 -0.116 0.000 1.018 686 V CA -0.870 61.404 62.300 -0.044 0.000 0.842 686 V CB 1.683 33.463 31.823 -0.071 0.000 0.996 686 V HN 0.873 nan 8.190 nan 0.000 0.426 687 N N 4.743 123.390 118.700 -0.090 0.000 2.476 687 N HA 0.530 5.273 4.740 0.006 0.000 0.257 687 N C -0.607 174.830 175.510 -0.122 0.000 0.970 687 N CA -0.532 52.443 53.050 -0.124 0.000 0.938 687 N CB 1.626 40.050 38.487 -0.106 0.000 1.144 687 N HN 0.594 nan 8.380 nan 0.000 0.500 688 I N 3.656 124.112 120.570 -0.190 0.000 2.406 688 I HA -0.001 4.172 4.170 0.006 0.000 0.293 688 I C 1.144 177.180 176.117 -0.135 0.000 1.101 688 I CA -0.063 61.136 61.300 -0.168 0.000 1.334 688 I CB 0.414 38.239 38.000 -0.292 0.000 1.421 688 I HN 0.560 nan 8.210 nan 0.000 0.513 689 L N 4.140 125.326 121.223 -0.062 0.000 2.179 689 L HA 0.106 4.450 4.340 0.006 0.000 0.208 689 L C 0.501 177.325 176.870 -0.076 0.000 1.096 689 L CA 0.934 55.734 54.840 -0.065 0.000 0.779 689 L CB -0.267 41.770 42.059 -0.037 0.000 0.922 689 L HN 0.638 nan 8.230 nan 0.000 0.443 690 D N -2.128 118.263 120.400 -0.016 0.000 2.653 690 D HA 0.504 5.147 4.640 0.006 0.000 0.258 690 D C -1.547 174.837 176.300 0.140 0.000 1.252 690 D CA -0.207 53.776 54.000 -0.028 0.000 0.777 690 D CB 2.455 43.105 40.800 -0.249 0.000 1.339 690 D HN -0.306 nan 8.370 nan 0.000 0.422 691 V N 0.615 120.591 119.914 0.105 0.000 2.891 691 V HA 0.668 4.792 4.120 0.006 0.000 0.304 691 V C -0.705 175.463 176.094 0.123 0.000 1.171 691 V CA -0.773 61.617 62.300 0.150 0.000 0.943 691 V CB 2.092 33.968 31.823 0.089 0.000 1.037 691 V HN 0.774 nan 8.190 nan 0.000 0.427 692 T N 2.651 117.295 114.554 0.149 0.000 2.840 692 T HA 0.860 5.214 4.350 0.006 0.000 0.287 692 T C -0.921 173.833 174.700 0.091 0.000 0.991 692 T CA -0.575 61.585 62.100 0.100 0.000 0.964 692 T CB 1.210 70.153 68.868 0.125 0.000 0.954 692 T HN 0.395 nan 8.240 nan 0.000 0.438 693 L N 1.927 123.192 121.223 0.070 0.000 2.323 693 L HA 0.554 4.897 4.340 0.006 0.000 0.265 693 L C 0.157 177.093 176.870 0.110 0.000 1.012 693 L CA -1.486 53.423 54.840 0.114 0.000 0.820 693 L CB 1.802 43.946 42.059 0.142 0.000 1.334 693 L HN 0.769 nan 8.230 nan 0.000 0.427 694 H N 0.271 119.387 119.070 0.076 0.000 2.732 694 H HA 0.185 4.745 4.556 0.006 0.000 0.351 694 H C 0.874 176.260 175.328 0.096 0.000 1.090 694 H CA 0.526 56.596 56.048 0.036 0.000 1.431 694 H CB 1.720 31.510 29.762 0.046 0.000 1.447 694 H HN 0.741 nan 8.280 nan 0.000 0.582 695 A N 3.974 126.781 122.820 -0.021 0.000 1.978 695 A HA -0.123 4.201 4.320 0.006 0.000 0.220 695 A C 0.522 178.361 177.584 0.425 0.000 1.170 695 A CA 1.460 53.634 52.037 0.229 0.000 0.636 695 A CB -0.117 18.911 19.000 0.046 0.000 0.810 695 A HN 0.802 nan 8.150 nan 0.000 0.448 696 D N -0.651 120.098 120.400 0.581 0.000 2.232 696 D HA 0.475 5.119 4.640 0.006 0.000 0.242 696 D C 1.066 177.438 176.300 0.119 0.000 1.093 696 D CA 0.545 54.703 54.000 0.263 0.000 0.845 696 D CB 1.625 42.527 40.800 0.171 0.000 1.124 696 D HN 0.163 nan 8.370 nan 0.000 0.467 697 A N 3.811 126.643 122.820 0.020 0.000 2.024 697 A HA -0.130 4.193 4.320 0.006 0.000 0.220 697 A C 1.378 178.942 177.584 -0.032 0.000 1.164 697 A CA 0.703 52.726 52.037 -0.023 0.000 0.643 697 A CB -0.409 18.546 19.000 -0.076 0.000 0.806 697 A HN 0.583 nan 8.150 nan 0.000 0.451 701 G N -0.593 108.209 108.800 0.004 0.000 2.588 701 G HA2 0.379 4.342 3.960 0.006 0.000 0.281 701 G HA3 0.379 4.342 3.960 0.006 0.000 0.281 701 G C 1.132 176.036 174.900 0.007 0.000 1.236 701 G CA 0.026 45.126 45.100 -0.001 0.000 0.969 701 G HN 0.132 nan 8.290 nan 0.000 0.504 702 G N -0.278 108.526 108.800 0.006 0.000 2.476 702 G HA2 -0.081 3.882 3.960 0.006 0.000 0.218 702 G HA3 -0.081 3.882 3.960 0.006 0.000 0.218 702 G C 1.762 176.666 174.900 0.007 0.000 1.164 702 G CA 1.518 46.627 45.100 0.014 0.000 0.768 702 G HN 0.994 nan 8.290 nan 0.000 0.560 703 G N -0.812 107.985 108.800 -0.006 0.000 2.470 703 G HA2 -0.063 3.901 3.960 0.006 0.000 0.220 703 G HA3 -0.063 3.901 3.960 0.006 0.000 0.220 703 G C 1.838 176.728 174.900 -0.016 0.000 1.121 703 G CA 0.974 46.063 45.100 -0.017 0.000 0.766 703 G HN 0.379 nan 8.290 nan 0.000 0.553 704 Q N -0.272 119.523 119.800 -0.007 0.000 2.200 704 Q HA 0.160 4.503 4.340 0.006 0.000 0.197 704 Q C 2.698 178.703 176.000 0.009 0.000 0.953 704 Q CA 0.271 56.072 55.803 -0.004 0.000 0.851 704 Q CB -0.081 28.658 28.738 0.002 0.000 0.938 704 Q HN 0.399 nan 8.270 nan 0.000 0.488 705 I N 0.821 121.406 120.570 0.024 0.000 2.333 705 I HA -0.126 4.048 4.170 0.006 0.000 0.246 705 I C 2.397 178.536 176.117 0.037 0.000 1.106 705 I CA 0.709 62.033 61.300 0.039 0.000 1.411 705 I CB -0.963 37.073 38.000 0.060 0.000 1.082 705 I HN 0.115 nan 8.210 nan 0.000 0.420 706 I N 1.620 122.210 120.570 0.034 0.000 2.151 706 I HA -0.252 3.921 4.170 0.006 0.000 0.243 706 I C -0.325 175.794 176.117 0.004 0.000 1.080 706 I CA 1.991 63.313 61.300 0.036 0.000 1.339 706 I CB -1.909 36.112 38.000 0.035 0.000 1.039 706 I HN 0.172 nan 8.210 nan 0.000 0.409 707 P HA -0.064 nan 4.420 nan 0.000 0.219 707 P C 1.580 178.863 177.300 -0.029 0.000 1.150 707 P CA 1.283 64.361 63.100 -0.038 0.000 0.814 707 P CB -0.093 31.587 31.700 -0.035 0.000 0.787 708 T N 0.070 114.617 114.554 -0.012 0.000 2.569 708 T HA -0.230 4.123 4.350 0.006 0.000 0.263 708 T C 1.753 176.447 174.700 -0.010 0.000 1.074 708 T CA 1.863 63.956 62.100 -0.012 0.000 1.176 708 T CB -0.965 67.899 68.868 -0.006 0.000 0.863 708 T HN 0.039 nan 8.240 nan 0.000 0.410 709 M N 1.476 121.084 119.600 0.014 0.000 2.088 709 M HA -0.125 4.358 4.480 0.006 0.000 0.256 709 M C 2.185 178.486 176.300 0.002 0.000 1.071 709 M CA 1.657 56.979 55.300 0.036 0.000 1.097 709 M CB -0.571 32.082 32.600 0.088 0.000 1.315 709 M HN -0.022 nan 8.290 nan 0.000 0.406 710 R N -0.145 120.323 120.500 -0.054 0.000 2.103 710 R HA -0.152 4.192 4.340 0.006 0.000 0.242 710 R C 2.311 178.375 176.300 -0.393 0.000 1.142 710 R CA 1.999 57.962 56.100 -0.229 0.000 0.960 710 R CB -0.350 29.795 30.300 -0.259 0.000 0.858 710 R HN 0.509 nan 8.270 nan 0.000 0.439 711 R N -0.541 119.844 120.500 -0.191 0.000 2.090 711 R HA -0.007 4.337 4.340 0.006 0.000 0.228 711 R C 2.317 178.662 176.300 0.074 0.000 1.110 711 R CA 1.041 57.115 56.100 -0.043 0.000 0.973 711 R CB -0.298 30.076 30.300 0.123 0.000 0.869 711 R HN 0.210 nan 8.270 nan 0.000 0.440 712 A N 0.774 123.620 122.820 0.045 0.000 1.883 712 A HA -0.189 4.135 4.320 0.006 0.000 0.217 712 A C 2.205 179.869 177.584 0.133 0.000 1.186 712 A CA 2.141 54.223 52.037 0.075 0.000 0.624 712 A CB -0.966 18.044 19.000 0.016 0.000 0.822 712 A HN 0.270 nan 8.150 nan 0.000 0.444 713 T N -0.947 113.671 114.554 0.107 0.000 2.622 713 T HA -0.180 4.174 4.350 0.006 0.000 0.266 713 T C 1.829 176.696 174.700 0.279 0.000 1.047 713 T CA 1.728 63.940 62.100 0.188 0.000 1.159 713 T CB -0.520 68.466 68.868 0.197 0.000 0.863 713 T HN 0.456 nan 8.240 nan 0.000 0.422 714 Y N 1.681 121.961 120.300 -0.034 0.000 2.151 714 Y HA -0.126 4.427 4.550 0.006 0.000 0.284 714 Y C 2.825 178.772 175.900 0.078 0.000 1.166 714 Y CA 0.290 58.284 58.100 -0.176 0.000 1.163 714 Y CB -1.492 36.513 38.460 -0.759 0.000 0.974 714 Y HN 0.231 nan 8.280 nan 0.000 0.511 715 A N 0.052 123.095 122.820 0.372 0.000 1.851 715 A HA -0.147 4.176 4.320 0.006 0.000 0.216 715 A C 2.746 180.540 177.584 0.350 0.000 1.195 715 A CA 2.087 54.413 52.037 0.482 0.000 0.622 715 A CB -1.495 17.830 19.000 0.542 0.000 0.831 715 A HN 0.451 nan 8.150 nan 0.000 0.444 716 G N -1.117 107.846 108.800 0.271 0.000 2.529 716 G HA2 -0.321 3.643 3.960 0.006 0.000 0.219 716 G HA3 -0.321 3.643 3.960 0.006 0.000 0.219 716 G C 1.536 176.543 174.900 0.180 0.000 1.177 716 G CA 1.332 46.540 45.100 0.180 0.000 0.773 716 G HN 0.548 nan 8.290 nan 0.000 0.573 717 F N 0.517 120.526 119.950 0.099 0.000 2.069 717 F HA -0.064 4.466 4.527 0.006 0.000 0.298 717 F C 2.331 178.163 175.800 0.054 0.000 1.113 717 F CA 1.083 59.126 58.000 0.072 0.000 1.214 717 F CB -0.145 38.903 39.000 0.080 0.000 0.978 717 F HN 0.046 nan 8.300 nan 0.000 0.474 718 L N 0.358 121.840 121.223 0.433 0.000 2.265 718 L HA -0.136 4.208 4.340 0.006 0.000 0.215 718 L C 1.876 178.810 176.870 0.106 0.000 1.117 718 L CA 1.440 56.467 54.840 0.312 0.000 0.782 718 L CB -1.041 41.268 42.059 0.417 0.000 0.914 718 L HN 0.290 nan 8.230 nan 0.000 0.441 719 L N -1.518 119.707 121.223 0.004 0.000 2.529 719 L HA 0.146 4.490 4.340 0.006 0.000 0.223 719 L C 1.573 178.342 176.870 -0.169 0.000 1.113 719 L CA 0.244 54.970 54.840 -0.190 0.000 0.861 719 L CB -0.220 41.638 42.059 -0.334 0.000 1.012 719 L HN 0.140 nan 8.230 nan 0.000 0.461 720 A N -0.112 122.612 122.820 -0.161 0.000 2.797 720 A HA 0.130 4.454 4.320 0.006 0.000 0.287 720 A C 0.006 177.460 177.584 -0.216 0.000 1.369 720 A CA -0.263 51.664 52.037 -0.184 0.000 0.968 720 A CB -0.607 18.284 19.000 -0.183 0.000 1.069 720 A HN 0.389 nan 8.150 nan 0.000 0.571 721 D N -0.375 119.921 120.400 -0.172 0.000 3.763 721 D HA -0.102 4.542 4.640 0.006 0.000 0.232 721 D C -2.750 173.428 176.300 -0.203 0.000 1.108 721 D CA 0.344 54.258 54.000 -0.143 0.000 1.117 721 D CB -0.493 40.242 40.800 -0.108 0.000 0.846 721 D HN 0.313 nan 8.370 nan 0.000 0.405 722 P HA 0.374 nan 4.420 nan 0.000 0.271 722 P C -0.578 176.667 177.300 -0.092 0.000 1.216 722 P CA -0.061 62.896 63.100 -0.237 0.000 0.776 722 P CB 0.831 32.492 31.700 -0.065 0.000 0.881 723 K N 1.373 121.742 120.400 -0.052 0.000 2.556 723 K HA 0.618 4.942 4.320 0.006 0.000 0.274 723 K C -0.880 175.772 176.600 0.086 0.000 0.966 723 K CA -0.750 55.542 56.287 0.009 0.000 0.865 723 K CB 1.736 34.232 32.500 -0.007 0.000 1.444 723 K HN 0.459 nan 8.250 nan 0.000 0.433 724 I N -1.382 119.241 120.570 0.088 0.000 2.603 724 I HA 0.502 4.675 4.170 0.006 0.000 0.300 724 I C -1.107 175.124 176.117 0.190 0.000 1.017 724 I CA -0.683 60.715 61.300 0.164 0.000 1.098 724 I CB 2.009 40.098 38.000 0.148 0.000 1.279 724 I HN 0.459 nan 8.210 nan 0.000 0.437 725 Q N 4.671 124.621 119.800 0.249 0.000 2.312 725 Q HA 0.368 4.711 4.340 0.006 0.000 0.263 725 Q C -1.104 175.235 176.000 0.564 0.000 0.995 725 Q CA -0.717 55.279 55.803 0.323 0.000 0.853 725 Q CB 2.471 31.357 28.738 0.247 0.000 1.300 725 Q HN 0.731 nan 8.270 nan 0.000 0.448 726 E N 2.803 123.315 120.200 0.520 0.000 2.191 726 E HA 0.496 4.850 4.350 0.006 0.000 0.274 726 E C -2.554 174.189 176.600 0.237 0.000 0.948 726 E CA -2.295 54.385 56.400 0.468 0.000 0.802 726 E CB 1.477 31.403 29.700 0.378 0.000 1.137 726 E HN 0.191 nan 8.360 nan 0.000 0.397 727 P HA 0.076 nan 4.420 nan 0.000 0.275 727 P C -0.675 176.294 177.300 -0.552 0.000 1.228 727 P CA -0.408 62.367 63.100 -0.542 0.000 0.786 727 P CB 1.285 32.517 31.700 -0.781 0.000 0.927 728 V N 3.757 123.198 119.914 -0.789 0.000 2.709 728 V HA 0.335 4.458 4.120 0.006 0.000 0.308 728 V C 0.041 175.710 176.094 -0.708 0.000 1.062 728 V CA -0.501 61.338 62.300 -0.767 0.000 0.901 728 V CB 1.476 32.763 31.823 -0.893 0.000 1.003 728 V HN 0.357 nan 8.190 nan 0.000 0.425 729 F N 3.612 123.379 119.950 -0.306 0.000 2.368 729 F HA 0.528 5.059 4.527 0.006 0.000 0.315 729 F C 0.305 176.082 175.800 -0.039 0.000 1.145 729 F CA -0.991 56.882 58.000 -0.211 0.000 1.095 729 F CB 0.860 39.747 39.000 -0.189 0.000 1.286 729 F HN 0.185 nan 8.300 nan 0.000 0.530 730 L N 3.395 124.746 121.223 0.214 0.000 2.401 730 L HA 0.475 4.819 4.340 0.006 0.000 0.263 730 L C -1.519 175.357 176.870 0.010 0.000 1.004 730 L CA -0.562 54.369 54.840 0.153 0.000 0.881 730 L CB 0.972 43.111 42.059 0.132 0.000 1.219 730 L HN 0.411 nan 8.230 nan 0.000 0.441 731 V N 5.441 125.332 119.914 -0.038 0.000 2.407 731 V HA 0.395 4.519 4.120 0.006 0.000 0.278 731 V C -0.191 175.862 176.094 -0.068 0.000 1.037 731 V CA -0.268 61.979 62.300 -0.089 0.000 0.900 731 V CB 1.782 33.532 31.823 -0.121 0.000 0.983 731 V HN 0.895 nan 8.190 nan 0.000 0.459 732 E N 6.664 126.828 120.200 -0.060 0.000 2.175 732 E HA 0.565 4.919 4.350 0.006 0.000 0.278 732 E C -1.204 175.381 176.600 -0.025 0.000 0.969 732 E CA -0.666 55.712 56.400 -0.037 0.000 0.796 732 E CB 1.416 31.104 29.700 -0.019 0.000 1.104 732 E HN 0.780 nan 8.360 nan 0.000 0.395 733 I N 3.453 124.019 120.570 -0.007 0.000 2.498 733 I HA 0.227 4.400 4.170 0.006 0.000 0.290 733 I C -0.642 175.506 176.117 0.052 0.000 1.032 733 I CA -1.065 60.241 61.300 0.009 0.000 1.073 733 I CB 2.059 40.053 38.000 -0.010 0.000 1.251 733 I HN 0.463 nan 8.210 nan 0.000 0.426 734 Q N 4.109 123.974 119.800 0.107 0.000 2.271 734 Q HA 0.615 4.958 4.340 0.006 0.000 0.258 734 Q C -1.218 174.826 176.000 0.073 0.000 0.936 734 Q CA -0.057 55.812 55.803 0.111 0.000 0.909 734 Q CB 1.927 30.757 28.738 0.152 0.000 1.253 734 Q HN 0.710 nan 8.270 nan 0.000 0.440 735 C N 4.438 123.771 119.300 0.056 0.000 3.247 735 C HA 0.545 5.009 4.460 0.006 0.000 0.375 735 C C -2.790 172.206 174.990 0.010 0.000 1.102 735 C CA -1.641 57.391 59.018 0.023 0.000 1.227 735 C CB 1.634 29.385 27.740 0.018 0.000 1.586 735 C HN 0.642 nan 8.230 nan 0.000 0.544 736 P HA 0.131 nan 4.420 nan 0.000 0.271 736 P C 0.786 177.984 177.300 -0.169 0.000 1.233 736 P CA 0.662 63.744 63.100 -0.031 0.000 0.764 736 P CB 0.541 32.262 31.700 0.035 0.000 0.825 737 E N 4.068 124.006 120.200 -0.437 0.000 2.315 737 E HA -0.373 3.981 4.350 0.006 0.000 0.215 737 E C 1.218 177.641 176.600 -0.294 0.000 1.069 737 E CA 2.184 58.123 56.400 -0.768 0.000 0.859 737 E CB 0.131 29.237 29.700 -0.990 0.000 0.743 737 E HN 0.599 nan 8.360 nan 0.000 0.469 738 Q N -0.331 119.367 119.800 -0.169 0.000 2.020 738 Q HA -0.077 4.266 4.340 0.006 0.000 0.202 738 Q C 2.106 178.087 176.000 -0.032 0.000 0.982 738 Q CA 1.707 57.465 55.803 -0.075 0.000 0.838 738 Q CB -0.368 28.340 28.738 -0.050 0.000 0.899 738 Q HN 0.251 nan 8.270 nan 0.000 0.423 739 A N 0.860 123.663 122.820 -0.029 0.000 2.251 739 A HA 0.147 4.471 4.320 0.006 0.000 0.209 739 A C 2.126 179.713 177.584 0.005 0.000 1.187 739 A CA 0.068 52.101 52.037 -0.008 0.000 0.823 739 A CB -0.185 18.808 19.000 -0.013 0.000 0.846 739 A HN 0.213 nan 8.150 nan 0.000 0.486 740 V N 0.033 119.958 119.914 0.018 0.000 2.660 740 V HA -0.246 3.877 4.120 0.006 0.000 0.257 740 V C 2.688 178.839 176.094 0.095 0.000 1.088 740 V CA 1.854 64.191 62.300 0.062 0.000 1.106 740 V CB -1.216 30.735 31.823 0.214 0.000 0.686 740 V HN 0.612 nan 8.190 nan 0.000 0.481 741 G N 0.414 109.291 108.800 0.128 0.000 2.421 741 G HA2 -0.167 3.797 3.960 0.006 0.000 0.216 741 G HA3 -0.167 3.797 3.960 0.006 0.000 0.216 741 G C 1.632 176.609 174.900 0.129 0.000 1.171 741 G CA 0.804 46.012 45.100 0.180 0.000 0.775 741 G HN 0.583 nan 8.290 nan 0.000 0.543 742 G N 0.692 109.525 108.800 0.055 0.000 2.479 742 G HA2 -0.133 3.831 3.960 0.006 0.000 0.220 742 G HA3 -0.133 3.831 3.960 0.006 0.000 0.220 742 G C 1.664 176.562 174.900 -0.003 0.000 1.115 742 G CA 0.746 45.860 45.100 0.024 0.000 0.757 742 G HN 0.468 nan 8.290 nan 0.000 0.560 743 I N -0.590 119.947 120.570 -0.054 0.000 2.094 743 I HA -0.161 4.013 4.170 0.006 0.000 0.234 743 I C 2.353 178.432 176.117 -0.064 0.000 1.063 743 I CA 1.071 62.296 61.300 -0.126 0.000 1.328 743 I CB -0.467 37.355 38.000 -0.297 0.000 1.058 743 I HN 0.092 nan 8.210 nan 0.000 0.400 744 Y N 0.683 121.027 120.300 0.072 0.000 2.181 744 Y HA -0.329 4.224 4.550 0.006 0.000 0.284 744 Y C 3.022 178.962 175.900 0.066 0.000 1.179 744 Y CA 1.726 59.867 58.100 0.068 0.000 1.179 744 Y CB -1.194 37.301 38.460 0.059 0.000 0.973 744 Y HN 0.191 nan 8.280 nan 0.000 0.519 745 S N -0.336 115.479 115.700 0.192 0.000 2.359 745 S HA -0.177 4.297 4.470 0.006 0.000 0.224 745 S C 2.117 176.784 174.600 0.112 0.000 1.035 745 S CA 1.781 60.058 58.200 0.128 0.000 1.018 745 S CB -0.680 62.572 63.200 0.087 0.000 0.876 745 S HN 0.217 nan 8.310 nan 0.000 0.448 746 V N 2.000 121.975 119.914 0.101 0.000 2.453 746 V HA -0.023 4.101 4.120 0.006 0.000 0.247 746 V C 2.362 178.571 176.094 0.191 0.000 1.048 746 V CA 1.342 63.717 62.300 0.124 0.000 1.049 746 V CB -0.701 31.167 31.823 0.075 0.000 0.672 746 V HN 0.460 nan 8.190 nan 0.000 0.457 747 L N 0.455 121.794 121.223 0.194 0.000 2.131 747 L HA -0.117 4.227 4.340 0.006 0.000 0.210 747 L C 2.075 179.033 176.870 0.145 0.000 1.092 747 L CA 1.256 56.205 54.840 0.181 0.000 0.759 747 L CB -0.630 41.528 42.059 0.164 0.000 0.903 747 L HN 0.435 nan 8.230 nan 0.000 0.435 748 N N 0.716 119.501 118.700 0.142 0.000 2.521 748 N HA -0.117 4.626 4.740 0.006 0.000 0.188 748 N C 1.412 176.981 175.510 0.098 0.000 1.146 748 N CA 0.648 53.766 53.050 0.112 0.000 0.893 748 N CB 0.177 38.726 38.487 0.105 0.000 0.975 748 N HN 0.476 nan 8.380 nan 0.000 0.451 749 K N 0.290 120.755 120.400 0.108 0.000 2.402 749 K HA 0.194 4.518 4.320 0.006 0.000 0.204 749 K C 0.378 177.042 176.600 0.107 0.000 1.056 749 K CA -0.011 56.335 56.287 0.099 0.000 1.069 749 K CB 0.532 33.090 32.500 0.096 0.000 0.888 749 K HN -0.282 nan 8.250 nan 0.000 0.546 750 K N 0.931 121.398 120.400 0.111 0.000 2.536 750 K HA 0.299 4.623 4.320 0.006 0.000 0.203 750 K C -0.680 175.962 176.600 0.070 0.000 1.063 750 K CA -0.225 56.120 56.287 0.098 0.000 1.063 750 K CB 0.600 33.166 32.500 0.110 0.000 0.843 750 K HN 0.154 nan 8.250 nan 0.000 0.521 751 R N -0.331 120.214 120.500 0.076 0.000 3.525 751 R HA -0.154 4.190 4.340 0.006 0.000 0.276 751 R C 0.341 176.683 176.300 0.071 0.000 1.116 751 R CA 0.668 56.809 56.100 0.070 0.000 0.745 751 R CB -2.161 28.176 30.300 0.062 0.000 1.185 751 R HN 0.365 nan 8.270 nan 0.000 0.454 752 G N 0.423 109.270 108.800 0.078 0.000 2.507 752 G HA2 0.276 4.239 3.960 0.006 0.000 0.271 752 G HA3 0.276 4.239 3.960 0.006 0.000 0.271 752 G C -0.515 174.448 174.900 0.105 0.000 1.189 752 G CA -0.323 44.825 45.100 0.080 0.000 0.859 752 G HN 0.178 nan 8.290 nan 0.000 0.542 753 Q N 1.111 120.984 119.800 0.121 0.000 2.337 753 Q HA 0.360 4.704 4.340 0.006 0.000 0.264 753 Q C -0.865 175.165 176.000 0.050 0.000 1.007 753 Q CA -0.596 55.280 55.803 0.122 0.000 0.727 753 Q CB 1.866 30.725 28.738 0.201 0.000 1.256 753 Q HN 0.353 nan 8.270 nan 0.000 0.467 754 V N 4.677 124.626 119.914 0.057 0.000 2.529 754 V HA -0.020 4.104 4.120 0.006 0.000 0.292 754 V C 1.099 177.157 176.094 -0.061 0.000 1.028 754 V CA 0.285 62.601 62.300 0.027 0.000 1.074 754 V CB 1.008 32.929 31.823 0.163 0.000 0.958 754 V HN 0.743 nan 8.190 nan 0.000 0.481 755 V N 3.399 123.207 119.914 -0.176 0.000 2.575 755 V HA 0.119 4.243 4.120 0.006 0.000 0.242 755 V C 0.765 176.790 176.094 -0.115 0.000 1.045 755 V CA 1.382 63.550 62.300 -0.220 0.000 1.065 755 V CB 0.460 32.020 31.823 -0.438 0.000 0.717 755 V HN 1.024 nan 8.190 nan 0.000 0.467 756 S N -0.796 114.850 115.700 -0.090 0.000 2.580 756 S HA 0.459 4.933 4.470 0.006 0.000 0.281 756 S C -1.312 173.262 174.600 -0.044 0.000 1.129 756 S CA -0.751 57.413 58.200 -0.060 0.000 0.862 756 S CB 2.299 65.457 63.200 -0.070 0.000 1.090 756 S HN 0.314 nan 8.310 nan 0.000 0.451 757 E N 1.050 121.221 120.200 -0.049 0.000 2.218 757 E HA 0.459 4.813 4.350 0.006 0.000 0.263 757 E C -1.145 175.352 176.600 -0.172 0.000 0.879 757 E CA -0.249 56.104 56.400 -0.079 0.000 0.762 757 E CB 1.634 31.320 29.700 -0.023 0.000 1.166 757 E HN 0.742 nan 8.360 nan 0.000 0.415 758 E N 3.496 123.595 120.200 -0.169 0.000 2.359 758 E HA 0.294 4.648 4.350 0.006 0.000 0.266 758 E C -1.396 175.095 176.600 -0.182 0.000 0.920 758 E CA -0.647 55.649 56.400 -0.173 0.000 0.788 758 E CB 2.116 31.771 29.700 -0.075 0.000 1.279 758 E HN 0.482 nan 8.360 nan 0.000 0.438 759 Q N 1.698 121.438 119.800 -0.100 0.000 2.394 759 Q HA 0.344 4.688 4.340 0.006 0.000 0.273 759 Q C -1.195 174.880 176.000 0.126 0.000 1.089 759 Q CA -0.885 54.992 55.803 0.124 0.000 0.812 759 Q CB 1.768 30.647 28.738 0.235 0.000 1.353 759 Q HN 0.446 nan 8.270 nan 0.000 0.438 760 R N 4.051 124.655 120.500 0.174 0.000 2.316 760 R HA 0.151 4.495 4.340 0.006 0.000 0.314 760 R C -1.902 174.462 176.300 0.107 0.000 1.069 760 R CA -1.290 54.881 56.100 0.118 0.000 0.959 760 R CB 0.466 30.844 30.300 0.129 0.000 0.987 760 R HN 0.563 nan 8.270 nan 0.000 0.446 761 P HA -0.292 nan 4.420 nan 0.000 0.211 761 P C 0.874 178.208 177.300 0.057 0.000 1.038 761 P CA 2.193 65.326 63.100 0.055 0.000 0.988 761 P CB -0.033 31.689 31.700 0.037 0.000 0.758 762 G N -1.689 107.138 108.800 0.044 0.000 2.524 762 G HA2 -0.153 3.811 3.960 0.006 0.000 0.215 762 G HA3 -0.153 3.811 3.960 0.006 0.000 0.215 762 G C 0.477 175.393 174.900 0.026 0.000 1.239 762 G CA 1.718 46.835 45.100 0.027 0.000 0.798 762 G HN 0.546 nan 8.290 nan 0.000 0.557 763 T N -0.230 114.351 114.554 0.045 0.000 2.795 763 T HA 0.314 4.668 4.350 0.006 0.000 0.314 763 T C -1.689 173.056 174.700 0.076 0.000 1.069 763 T CA -0.656 61.468 62.100 0.040 0.000 1.071 763 T CB 1.594 70.570 68.868 0.182 0.000 0.988 763 T HN 0.149 nan 8.240 nan 0.000 0.543 764 P HA 0.244 nan 4.420 nan 0.000 0.243 764 P C -0.424 176.892 177.300 0.027 0.000 1.672 764 P CA -0.403 62.688 63.100 -0.014 0.000 1.000 764 P CB -0.193 31.450 31.700 -0.095 0.000 1.562 765 L N 0.814 122.159 121.223 0.203 0.000 2.282 765 L HA 0.366 4.709 4.340 0.006 0.000 0.287 765 L C -0.307 176.744 176.870 0.302 0.000 1.075 765 L CA -0.755 54.207 54.840 0.203 0.000 0.839 765 L CB -0.680 41.489 42.059 0.183 0.000 1.219 765 L HN -0.119 nan 8.230 nan 0.000 0.434 766 F N 2.779 122.763 119.950 0.057 0.000 2.403 766 F HA 0.317 4.849 4.527 0.009 0.000 0.320 766 F C 0.662 176.474 175.800 0.021 0.000 1.176 766 F CA -0.736 57.288 58.000 0.040 0.000 1.206 766 F CB 1.312 40.338 39.000 0.043 0.000 1.235 766 F HN 0.270 nan 8.300 nan 0.000 0.565 767 T N 1.793 116.445 114.554 0.165 0.000 3.133 767 T HA 0.260 4.614 4.350 0.006 0.000 0.368 767 T C -0.631 174.080 174.700 0.019 0.000 1.190 767 T CA -0.450 61.696 62.100 0.077 0.000 1.282 767 T CB 0.618 69.518 68.868 0.054 0.000 1.042 767 T HN 0.156 nan 8.240 nan 0.000 0.536 768 V N 3.634 123.552 119.914 0.007 0.000 2.583 768 V HA 0.405 4.528 4.120 0.006 0.000 0.287 768 V C 0.369 176.430 176.094 -0.054 0.000 1.051 768 V CA -0.387 61.886 62.300 -0.044 0.000 1.010 768 V CB 0.920 32.665 31.823 -0.131 0.000 0.988 768 V HN 0.590 nan 8.190 nan 0.000 0.478 769 K N 3.108 123.465 120.400 -0.071 0.000 2.376 769 K HA 0.827 5.151 4.320 0.006 0.000 0.257 769 K C -0.547 175.956 176.600 -0.161 0.000 0.939 769 K CA -0.330 55.892 56.287 -0.108 0.000 0.809 769 K CB 2.223 34.652 32.500 -0.118 0.000 1.121 769 K HN 0.880 nan 8.250 nan 0.000 0.425 770 A N 2.194 124.907 122.820 -0.178 0.000 2.593 770 A HA 0.625 4.949 4.320 0.006 0.000 0.290 770 A C -1.930 175.540 177.584 -0.191 0.000 1.126 770 A CA -0.698 51.211 52.037 -0.213 0.000 0.695 770 A CB 0.761 19.721 19.000 -0.067 0.000 1.290 770 A HN 0.528 nan 8.150 nan 0.000 0.414 771 Y N -0.137 120.167 120.300 0.006 0.000 2.326 771 Y HA 0.596 5.150 4.550 0.006 0.000 0.337 771 Y C -0.242 175.642 175.900 -0.028 0.000 1.023 771 Y CA -0.859 57.247 58.100 0.011 0.000 1.143 771 Y CB 1.603 40.104 38.460 0.067 0.000 1.183 771 Y HN 0.514 nan 8.280 nan 0.000 0.485 772 L N 7.136 128.428 121.223 0.114 0.000 2.372 772 L HA 0.635 4.979 4.340 0.006 0.000 0.273 772 L C -2.853 173.978 176.870 -0.066 0.000 0.989 772 L CA -2.466 52.361 54.840 -0.021 0.000 0.841 772 L CB 1.745 43.689 42.059 -0.192 0.000 1.225 772 L HN 0.285 nan 8.230 nan 0.000 0.414 773 P HA -0.018 nan 4.420 nan 0.000 0.260 773 P C 0.995 178.156 177.300 -0.230 0.000 1.172 773 P CA 0.154 63.161 63.100 -0.155 0.000 0.760 773 P CB 0.707 32.376 31.700 -0.051 0.000 0.773 774 V N 3.661 123.301 119.914 -0.456 0.000 2.469 774 V HA -0.244 3.879 4.120 0.006 0.000 0.251 774 V C 1.977 177.870 176.094 -0.334 0.000 1.064 774 V CA 2.205 64.153 62.300 -0.587 0.000 1.066 774 V CB -1.044 30.248 31.823 -0.884 0.000 0.667 774 V HN 0.711 nan 8.190 nan 0.000 0.461 775 N N -0.171 118.432 118.700 -0.161 0.000 2.515 775 N HA -0.108 4.635 4.740 0.006 0.000 0.191 775 N C 1.055 176.635 175.510 0.116 0.000 1.182 775 N CA 0.664 53.746 53.050 0.054 0.000 0.879 775 N CB 0.103 38.703 38.487 0.187 0.000 0.984 775 N HN 0.499 nan 8.380 nan 0.000 0.453 776 E N -0.067 120.138 120.200 0.007 0.000 2.601 776 E HA 0.052 4.406 4.350 0.006 0.000 0.219 776 E C 0.388 177.001 176.600 0.022 0.000 0.964 776 E CA 0.114 56.548 56.400 0.057 0.000 1.050 776 E CB 0.622 30.342 29.700 0.033 0.000 1.068 776 E HN 0.460 nan 8.360 nan 0.000 0.496 777 S N -0.262 115.383 115.700 -0.092 0.000 2.597 777 S HA 0.200 4.674 4.470 0.006 0.000 0.224 777 S C 0.358 174.926 174.600 -0.055 0.000 0.955 777 S CA -0.538 57.601 58.200 -0.102 0.000 0.933 777 S CB -0.481 62.671 63.200 -0.080 0.000 0.788 777 S HN -0.082 nan 8.310 nan 0.000 0.488 778 F N 2.768 122.800 119.950 0.136 0.000 2.467 778 F HA 0.518 5.048 4.527 0.006 0.000 0.362 778 F C 1.686 177.563 175.800 0.127 0.000 1.090 778 F CA 0.335 58.407 58.000 0.120 0.000 1.202 778 F CB 0.386 39.438 39.000 0.088 0.000 1.113 778 F HN 0.332 nan 8.300 nan 0.000 0.541 779 G N 3.394 112.367 108.800 0.288 0.000 2.179 779 G HA2 -0.398 3.566 3.960 0.006 0.000 0.257 779 G HA3 -0.398 3.566 3.960 0.006 0.000 0.257 779 G C 0.945 175.945 174.900 0.166 0.000 1.010 779 G CA 0.528 45.735 45.100 0.179 0.000 0.736 779 G HN 0.675 nan 8.290 nan 0.000 0.513 780 F N 2.131 122.097 119.950 0.027 0.000 2.046 780 F HA -0.139 4.393 4.527 0.007 0.000 0.297 780 F C 2.887 178.671 175.800 -0.025 0.000 1.123 780 F CA 3.168 61.167 58.000 -0.002 0.000 1.199 780 F CB -0.902 38.080 39.000 -0.030 0.000 0.972 780 F HN 0.391 nan 8.300 nan 0.000 0.474 781 T N -1.667 112.824 114.554 -0.106 0.000 2.699 781 T HA -0.180 4.174 4.350 0.006 0.000 0.268 781 T C 2.329 176.902 174.700 -0.212 0.000 1.036 781 T CA 1.529 63.475 62.100 -0.256 0.000 1.147 781 T CB -1.827 66.968 68.868 -0.121 0.000 0.862 781 T HN 0.380 nan 8.240 nan 0.000 0.446 782 G N 1.397 110.133 108.800 -0.106 0.000 2.476 782 G HA2 -0.220 3.743 3.960 0.006 0.000 0.218 782 G HA3 -0.220 3.743 3.960 0.006 0.000 0.218 782 G C 1.548 176.391 174.900 -0.094 0.000 1.164 782 G CA 0.944 46.001 45.100 -0.071 0.000 0.768 782 G HN 0.673 nan 8.290 nan 0.000 0.560 783 E N -0.427 119.704 120.200 -0.116 0.000 2.107 783 E HA -0.025 4.329 4.350 0.006 0.000 0.191 783 E C 2.377 178.861 176.600 -0.193 0.000 0.982 783 E CA 0.436 56.769 56.400 -0.112 0.000 0.809 783 E CB -0.130 29.535 29.700 -0.058 0.000 0.756 783 E HN 0.336 nan 8.360 nan 0.000 0.459 784 L N 1.168 122.166 121.223 -0.375 0.000 2.141 784 L HA -0.127 4.217 4.340 0.006 0.000 0.209 784 L C 2.250 178.990 176.870 -0.218 0.000 1.094 784 L CA 1.464 56.065 54.840 -0.400 0.000 0.763 784 L CB -0.234 41.414 42.059 -0.685 0.000 0.908 784 L HN -0.110 nan 8.230 nan 0.000 0.437 785 R N -0.220 120.175 120.500 -0.175 0.000 2.113 785 R HA -0.240 4.104 4.340 0.006 0.000 0.231 785 R C 2.424 178.684 176.300 -0.066 0.000 1.129 785 R CA 2.306 58.349 56.100 -0.094 0.000 0.915 785 R CB -0.874 29.390 30.300 -0.061 0.000 0.837 785 R HN 0.610 nan 8.270 nan 0.000 0.430 786 Q N -0.706 119.060 119.800 -0.057 0.000 2.045 786 Q HA -0.226 4.117 4.340 0.006 0.000 0.206 786 Q C 1.916 177.895 176.000 -0.035 0.000 0.991 786 Q CA 2.323 58.106 55.803 -0.034 0.000 0.851 786 Q CB -0.358 28.365 28.738 -0.024 0.000 0.911 786 Q HN 0.451 nan 8.270 nan 0.000 0.418 787 A N 0.210 123.000 122.820 -0.050 0.000 1.903 787 A HA -0.209 4.115 4.320 0.006 0.000 0.219 787 A C 1.968 179.533 177.584 -0.032 0.000 1.191 787 A CA 2.258 54.271 52.037 -0.039 0.000 0.638 787 A CB -1.048 17.918 19.000 -0.057 0.000 0.823 787 A HN 0.645 nan 8.150 nan 0.000 0.451 788 T N -4.331 110.194 114.554 -0.048 0.000 3.258 788 T HA 0.466 4.819 4.350 0.006 0.000 0.259 788 T C 1.084 175.769 174.700 -0.025 0.000 0.963 788 T CA 0.795 62.874 62.100 -0.034 0.000 0.919 788 T CB -0.215 68.625 68.868 -0.046 0.000 1.110 788 T HN 1.725 nan 8.240 nan 0.000 0.550 789 G N 0.898 109.686 108.800 -0.020 0.000 2.225 789 G HA2 -0.064 3.900 3.960 0.006 0.000 0.272 789 G HA3 -0.064 3.900 3.960 0.006 0.000 0.272 789 G C 1.186 176.078 174.900 -0.014 0.000 0.996 789 G CA 0.490 45.583 45.100 -0.013 0.000 0.710 789 G HN 1.931 nan 8.290 nan 0.000 0.522 790 G N -1.971 106.816 108.800 -0.022 0.000 2.159 790 G HA2 -0.293 3.671 3.960 0.006 0.000 0.256 790 G HA3 -0.293 3.671 3.960 0.006 0.000 0.256 790 G C 0.983 175.879 174.900 -0.008 0.000 0.977 790 G CA 1.228 46.318 45.100 -0.016 0.000 0.652 790 G HN 0.757 nan 8.290 nan 0.000 0.531 791 Q N -0.232 119.562 119.800 -0.010 0.000 2.389 791 Q HA 0.370 4.714 4.340 0.006 0.000 0.204 791 Q C 1.665 177.668 176.000 0.005 0.000 0.944 791 Q CA 1.010 56.809 55.803 -0.006 0.000 0.908 791 Q CB 0.120 28.854 28.738 -0.007 0.000 1.002 791 Q HN 1.047 nan 8.270 nan 0.000 0.493 792 A N 0.975 123.796 122.820 0.000 0.000 2.409 792 A HA 0.279 4.603 4.320 0.006 0.000 0.262 792 A C -0.813 176.814 177.584 0.071 0.000 1.113 792 A CA -0.236 51.809 52.037 0.013 0.000 0.790 792 A CB -0.189 18.785 19.000 -0.044 0.000 1.046 792 A HN 0.201 nan 8.150 nan 0.000 0.496 793 F N 5.738 125.649 119.950 -0.066 0.000 2.291 793 F HA 0.475 5.005 4.527 0.006 0.000 0.368 793 F C -2.388 173.391 175.800 -0.036 0.000 1.085 793 F CA -2.835 55.132 58.000 -0.054 0.000 1.165 793 F CB 1.031 39.997 39.000 -0.057 0.000 1.429 793 F HN 0.312 nan 8.300 nan 0.000 0.503 794 P HA 0.176 nan 4.420 nan 0.000 0.272 794 P C -1.517 175.501 177.300 -0.469 0.000 1.230 794 P CA -0.174 62.746 63.100 -0.300 0.000 0.788 794 P CB 0.727 32.318 31.700 -0.181 0.000 0.949 795 Q N 1.662 121.303 119.800 -0.264 0.000 2.476 795 Q HA 0.426 4.770 4.340 0.006 0.000 0.236 795 Q C -1.747 174.144 176.000 -0.182 0.000 0.844 795 Q CA -0.392 55.266 55.803 -0.241 0.000 0.972 795 Q CB 0.760 29.387 28.738 -0.186 0.000 1.498 795 Q HN 0.466 nan 8.270 nan 0.000 0.454 796 M N 1.773 121.225 119.600 -0.246 0.000 2.446 796 M HA 0.805 5.288 4.480 0.006 0.000 0.294 796 M C -1.619 174.493 176.300 -0.313 0.000 1.158 796 M CA -1.099 54.002 55.300 -0.331 0.000 0.899 796 M CB 2.231 34.465 32.600 -0.610 0.000 1.687 796 M HN 0.287 nan 8.290 nan 0.000 0.455 797 V N 2.646 122.479 119.914 -0.135 0.000 3.001 797 V HA 0.644 4.768 4.120 0.006 0.000 0.314 797 V C -1.397 174.858 176.094 0.268 0.000 1.099 797 V CA -0.701 61.622 62.300 0.037 0.000 0.989 797 V CB 2.528 34.365 31.823 0.022 0.000 1.040 797 V HN 0.812 nan 8.190 nan 0.000 0.434 798 F N 3.727 123.803 119.950 0.209 0.000 2.538 798 F HA 0.322 4.853 4.527 0.006 0.000 0.371 798 F C 0.705 176.498 175.800 -0.011 0.000 1.087 798 F CA 0.721 58.774 58.000 0.089 0.000 1.250 798 F CB 1.223 40.169 39.000 -0.090 0.000 1.110 798 F HN 0.791 nan 8.300 nan 0.000 0.570 799 D N 1.957 121.729 120.400 -1.048 0.000 2.856 799 D HA 0.123 4.767 4.640 0.006 0.000 0.283 799 D C -0.743 175.055 176.300 -0.837 0.000 1.051 799 D CA 0.992 54.598 54.000 -0.656 0.000 0.965 799 D CB 0.278 41.003 40.800 -0.125 0.000 1.201 799 D HN 0.758 nan 8.370 nan 0.000 0.474 800 H N -4.054 114.250 119.070 -1.277 0.000 2.967 800 H HA 0.452 5.011 4.556 0.006 0.000 0.318 800 H C -1.774 173.227 175.328 -0.546 0.000 1.375 800 H CA -1.280 54.320 56.048 -0.746 0.000 1.132 800 H CB 0.077 29.598 29.762 -0.403 0.000 1.848 800 H HN -0.077 nan 8.280 nan 0.000 0.524 801 W N 1.197 122.500 121.300 0.004 0.000 2.361 801 W HA 0.552 5.216 4.660 0.007 0.000 0.309 801 W C 0.032 176.576 176.519 0.042 0.000 1.122 801 W CA -0.731 56.640 57.345 0.044 0.000 1.208 801 W CB 2.069 31.619 29.460 0.149 0.000 1.246 801 W HN 0.584 nan 8.180 nan 0.000 0.490 802 S N 2.345 118.173 115.700 0.213 0.000 2.456 802 S HA 0.391 4.865 4.470 0.006 0.000 0.316 802 S C -0.228 174.492 174.600 0.202 0.000 1.089 802 S CA -0.572 57.736 58.200 0.180 0.000 1.101 802 S CB 0.538 63.787 63.200 0.082 0.000 0.995 802 S HN 0.320 nan 8.310 nan 0.000 0.468 803 T N 6.902 121.557 114.554 0.168 0.000 2.743 803 T HA 0.251 4.605 4.350 0.006 0.000 0.290 803 T C 0.407 175.170 174.700 0.104 0.000 0.908 803 T CA -0.222 61.959 62.100 0.136 0.000 1.092 803 T CB -0.350 68.578 68.868 0.100 0.000 0.882 803 T HN 0.546 nan 8.240 nan 0.000 0.531 804 L N 2.569 123.855 121.223 0.106 0.000 2.506 804 L HA 0.175 4.518 4.340 0.006 0.000 0.281 804 L C 1.886 178.783 176.870 0.044 0.000 1.228 804 L CA -0.277 54.605 54.840 0.071 0.000 0.850 804 L CB 0.014 42.107 42.059 0.057 0.000 1.110 804 L HN 0.746 nan 8.230 nan 0.000 0.496 805 G N 1.415 110.235 108.800 0.033 0.000 2.395 805 G HA2 -0.124 3.839 3.960 0.006 0.000 0.214 805 G HA3 -0.124 3.839 3.960 0.006 0.000 0.214 805 G C 0.801 175.705 174.900 0.007 0.000 1.177 805 G CA 0.408 45.520 45.100 0.020 0.000 0.794 805 G HN 0.720 nan 8.290 nan 0.000 0.532 806 S N 0.685 116.386 115.700 0.003 0.000 2.537 806 S HA 0.051 4.525 4.470 0.006 0.000 0.280 806 S C -0.158 174.429 174.600 -0.021 0.000 1.335 806 S CA -0.032 58.162 58.200 -0.011 0.000 1.025 806 S CB 0.883 64.073 63.200 -0.017 0.000 0.836 806 S HN 0.299 nan 8.310 nan 0.000 0.523 807 D N 1.798 122.183 120.400 -0.026 0.000 2.339 807 D HA 0.252 4.895 4.640 0.006 0.000 0.241 807 D C -1.047 175.223 176.300 -0.050 0.000 1.183 807 D CA -2.516 51.467 54.000 -0.030 0.000 0.859 807 D CB 1.008 41.796 40.800 -0.020 0.000 1.067 807 D HN 0.220 nan 8.370 nan 0.000 0.484 808 P HA -0.138 nan 4.420 nan 0.000 0.223 808 P C 1.404 178.646 177.300 -0.097 0.000 1.144 808 P CA 0.763 63.792 63.100 -0.117 0.000 0.783 808 P CB 0.366 31.995 31.700 -0.119 0.000 0.771 809 L N -0.659 120.537 121.223 -0.044 0.000 2.270 809 L HA 0.066 4.410 4.340 0.006 0.000 0.210 809 L C 1.178 178.032 176.870 -0.027 0.000 1.104 809 L CA 0.420 55.246 54.840 -0.022 0.000 0.804 809 L CB -0.838 41.228 42.059 0.013 0.000 0.937 809 L HN -0.035 nan 8.230 nan 0.000 0.450 810 D N 0.968 121.350 120.400 -0.031 0.000 2.352 810 D HA 0.090 4.734 4.640 0.006 0.000 0.245 810 D C -1.661 174.615 176.300 -0.040 0.000 1.224 810 D CA -2.116 51.868 54.000 -0.027 0.000 0.879 810 D CB 1.392 42.179 40.800 -0.021 0.000 1.057 810 D HN -0.148 nan 8.370 nan 0.000 0.491 811 P HA -0.207 nan 4.420 nan 0.000 0.216 811 P C 1.218 178.496 177.300 -0.037 0.000 1.157 811 P CA 2.040 65.116 63.100 -0.040 0.000 0.880 811 P CB -0.034 31.650 31.700 -0.027 0.000 0.791 812 T N -4.064 110.475 114.554 -0.026 0.000 3.055 812 T HA 0.005 4.358 4.350 0.006 0.000 0.265 812 T C 1.039 175.726 174.700 -0.021 0.000 1.111 812 T CA 0.325 62.413 62.100 -0.020 0.000 1.118 812 T CB -0.985 67.876 68.868 -0.012 0.000 0.909 812 T HN 0.208 nan 8.240 nan 0.000 0.501 813 S N 0.846 116.529 115.700 -0.028 0.000 2.580 813 S HA 0.232 4.706 4.470 0.006 0.000 0.266 813 S C 1.346 175.925 174.600 -0.034 0.000 1.354 813 S CA -0.792 57.392 58.200 -0.027 0.000 1.008 813 S CB 0.826 64.007 63.200 -0.032 0.000 0.898 813 S HN 0.061 nan 8.310 nan 0.000 0.555 814 K N 1.359 121.745 120.400 -0.024 0.000 2.063 814 K HA -0.075 4.249 4.320 0.006 0.000 0.208 814 K C 2.379 178.947 176.600 -0.054 0.000 1.048 814 K CA 1.762 58.036 56.287 -0.022 0.000 0.928 814 K CB -1.385 31.115 32.500 0.000 0.000 0.713 814 K HN 0.785 nan 8.250 nan 0.000 0.442 815 A N 0.417 123.193 122.820 -0.074 0.000 1.854 815 A HA -0.017 4.307 4.320 0.006 0.000 0.214 815 A C 2.454 179.917 177.584 -0.202 0.000 1.192 815 A CA 1.865 53.817 52.037 -0.142 0.000 0.611 815 A CB -1.101 17.828 19.000 -0.119 0.000 0.832 815 A HN 0.366 nan 8.150 nan 0.000 0.442 816 G N -0.346 108.366 108.800 -0.148 0.000 2.485 816 G HA2 -0.296 3.668 3.960 0.006 0.000 0.221 816 G HA3 -0.296 3.668 3.960 0.006 0.000 0.221 816 G C 1.426 176.242 174.900 -0.140 0.000 1.115 816 G CA 1.279 46.290 45.100 -0.149 0.000 0.751 816 G HN 0.710 nan 8.290 nan 0.000 0.567 817 E N -0.069 120.066 120.200 -0.108 0.000 2.072 817 E HA -0.096 4.258 4.350 0.006 0.000 0.190 817 E C 2.429 178.969 176.600 -0.100 0.000 0.982 817 E CA 0.519 56.873 56.400 -0.076 0.000 0.803 817 E CB -0.080 29.595 29.700 -0.042 0.000 0.755 817 E HN 0.321 nan 8.360 nan 0.000 0.453 818 I N 1.093 121.570 120.570 -0.156 0.000 2.090 818 I HA -0.246 3.928 4.170 0.006 0.000 0.236 818 I C 2.562 178.526 176.117 -0.255 0.000 1.064 818 I CA 0.877 62.059 61.300 -0.196 0.000 1.324 818 I CB -1.321 36.450 38.000 -0.382 0.000 1.044 818 I HN 0.119 nan 8.210 nan 0.000 0.399 819 V N 1.208 120.827 119.914 -0.491 0.000 2.250 819 V HA -0.307 3.816 4.120 0.006 0.000 0.250 819 V C 2.636 178.617 176.094 -0.189 0.000 1.060 819 V CA 2.110 64.061 62.300 -0.582 0.000 1.030 819 V CB -0.909 30.557 31.823 -0.595 0.000 0.643 819 V HN 0.373 nan 8.190 nan 0.000 0.445 820 L N 0.767 121.914 121.223 -0.127 0.000 1.989 820 L HA -0.118 4.225 4.340 0.006 0.000 0.211 820 L C 2.474 179.340 176.870 -0.008 0.000 1.071 820 L CA 2.507 57.320 54.840 -0.046 0.000 0.749 820 L CB -1.091 40.943 42.059 -0.042 0.000 0.890 820 L HN 0.223 nan 8.230 nan 0.000 0.431 821 A N -0.210 122.603 122.820 -0.012 0.000 1.873 821 A HA -0.220 4.104 4.320 0.006 0.000 0.218 821 A C 2.493 180.096 177.584 0.032 0.000 1.193 821 A CA 2.575 54.618 52.037 0.010 0.000 0.629 821 A CB -1.482 17.526 19.000 0.014 0.000 0.826 821 A HN 0.662 nan 8.150 nan 0.000 0.447 822 A N -0.435 122.438 122.820 0.088 0.000 1.873 822 A HA -0.244 4.079 4.320 0.006 0.000 0.218 822 A C 2.262 179.949 177.584 0.171 0.000 1.193 822 A CA 1.875 54.015 52.037 0.172 0.000 0.629 822 A CB -0.617 18.698 19.000 0.524 0.000 0.826 822 A HN 0.569 nan 8.150 nan 0.000 0.447 823 R N -0.338 120.287 120.500 0.209 0.000 2.096 823 R HA -0.174 4.170 4.340 0.006 0.000 0.240 823 R C 2.315 178.691 176.300 0.125 0.000 1.139 823 R CA 1.946 58.164 56.100 0.196 0.000 0.952 823 R CB -0.365 30.010 30.300 0.125 0.000 0.854 823 R HN 0.572 nan 8.270 nan 0.000 0.436 824 K N 0.051 120.489 120.400 0.064 0.000 2.057 824 K HA -0.176 4.147 4.320 0.006 0.000 0.207 824 K C 2.199 178.808 176.600 0.016 0.000 1.049 824 K CA 1.242 57.551 56.287 0.036 0.000 0.931 824 K CB -0.202 32.307 32.500 0.016 0.000 0.714 824 K HN 0.098 nan 8.250 nan 0.000 0.440 825 R N 0.677 121.160 120.500 -0.028 0.000 2.091 825 R HA -0.159 4.185 4.340 0.006 0.000 0.238 825 R C 1.702 177.934 176.300 -0.114 0.000 1.136 825 R CA 1.484 57.520 56.100 -0.106 0.000 0.959 825 R CB -0.096 30.088 30.300 -0.193 0.000 0.856 825 R HN 0.314 nan 8.270 nan 0.000 0.437 826 H N -0.742 118.359 119.070 0.052 0.000 2.547 826 H HA 0.131 4.691 4.556 0.006 0.000 0.266 826 H C 0.749 176.097 175.328 0.032 0.000 0.988 826 H CA 0.834 56.907 56.048 0.042 0.000 1.147 826 H CB 0.217 30.011 29.762 0.054 0.000 1.365 826 H HN 0.568 nan 8.280 nan 0.000 0.589 827 G N 1.518 110.387 108.800 0.116 0.000 2.305 827 G HA2 -0.312 3.651 3.960 0.006 0.000 0.287 827 G HA3 -0.312 3.651 3.960 0.006 0.000 0.287 827 G C 0.348 175.298 174.900 0.082 0.000 1.036 827 G CA 0.579 45.725 45.100 0.077 0.000 0.887 827 G HN 0.288 nan 8.290 nan 0.000 0.505 828 M N -1.217 118.445 119.600 0.105 0.000 2.527 828 M HA 0.430 4.913 4.480 0.006 0.000 0.283 828 M C 0.821 177.158 176.300 0.062 0.000 1.188 828 M CA -0.787 54.565 55.300 0.086 0.000 0.941 828 M CB 0.841 33.507 32.600 0.110 0.000 1.498 828 M HN 0.080 nan 8.290 nan 0.000 0.510 829 K N 1.124 121.555 120.400 0.050 0.000 2.379 829 K HA 0.015 4.339 4.320 0.006 0.000 0.284 829 K C 0.538 177.160 176.600 0.037 0.000 1.044 829 K CA 0.160 56.467 56.287 0.034 0.000 0.974 829 K CB 0.615 33.129 32.500 0.022 0.000 0.962 829 K HN 0.574 nan 8.250 nan 0.000 0.474 830 E N 2.296 122.513 120.200 0.027 0.000 2.136 830 E HA -0.246 4.107 4.350 0.006 0.000 0.208 830 E C -0.351 176.260 176.600 0.017 0.000 1.035 830 E CA 1.623 58.036 56.400 0.022 0.000 0.838 830 E CB 0.099 29.805 29.700 0.011 0.000 0.748 830 E HN 0.587 nan 8.360 nan 0.000 0.459 831 E N -0.050 120.158 120.200 0.014 0.000 2.343 831 E HA 0.148 4.502 4.350 0.006 0.000 0.269 831 E C -0.841 175.775 176.600 0.026 0.000 1.047 831 E CA -0.267 56.140 56.400 0.011 0.000 0.874 831 E CB 1.416 31.118 29.700 0.004 0.000 1.033 831 E HN -0.136 nan 8.360 nan 0.000 0.409 832 V N 4.392 124.323 119.914 0.029 0.000 2.508 832 V HA 0.150 4.274 4.120 0.006 0.000 0.281 832 V C -1.959 174.182 176.094 0.078 0.000 1.041 832 V CA -1.621 60.713 62.300 0.057 0.000 1.016 832 V CB 0.269 32.124 31.823 0.052 0.000 0.984 832 V HN 0.642 nan 8.190 nan 0.000 0.478 833 P HA 0.087 nan 4.420 nan 0.000 0.261 833 P C 0.478 177.869 177.300 0.152 0.000 1.173 833 P CA 0.480 63.654 63.100 0.124 0.000 0.760 833 P CB 0.317 32.178 31.700 0.268 0.000 0.783 834 G N 2.802 111.631 108.800 0.049 0.000 2.634 834 G HA2 0.060 4.024 3.960 0.006 0.000 0.255 834 G HA3 0.060 4.024 3.960 0.006 0.000 0.255 834 G C 0.861 175.841 174.900 0.134 0.000 1.205 834 G CA -0.650 44.474 45.100 0.040 0.000 0.884 834 G HN 0.729 nan 8.290 nan 0.000 0.549 835 W N -0.185 121.204 121.300 0.148 0.000 2.467 835 W HA -0.056 4.608 4.660 0.006 0.000 0.275 835 W C 1.506 178.142 176.519 0.195 0.000 1.239 835 W CA 0.632 58.115 57.345 0.229 0.000 1.266 835 W CB -0.635 28.919 29.460 0.158 0.000 1.112 835 W HN 0.506 nan 8.180 nan 0.000 0.576 836 Q N 1.387 120.748 119.800 -0.733 0.000 2.197 836 Q HA -0.198 4.145 4.340 0.006 0.000 0.207 836 Q C 2.048 177.915 176.000 -0.222 0.000 0.984 836 Q CA 2.497 57.886 55.803 -0.691 0.000 0.869 836 Q CB -0.564 27.708 28.738 -0.777 0.000 0.906 836 Q HN 0.444 nan 8.270 nan 0.000 0.426 837 E N -1.134 118.936 120.200 -0.218 0.000 2.204 837 E HA -0.168 4.185 4.350 0.006 0.000 0.195 837 E C 0.918 177.312 176.600 -0.342 0.000 0.990 837 E CA 0.931 57.139 56.400 -0.319 0.000 0.821 837 E CB 0.072 29.472 29.700 -0.499 0.000 0.750 837 E HN 0.538 nan 8.360 nan 0.000 0.477 838 Y N -2.048 118.346 120.300 0.157 0.000 2.458 838 Y HA 0.085 4.638 4.550 0.006 0.000 0.254 838 Y C 0.788 176.821 175.900 0.222 0.000 1.120 838 Y CA -0.470 57.746 58.100 0.194 0.000 1.282 838 Y CB 0.238 38.863 38.460 0.275 0.000 1.109 838 Y HN -0.010 nan 8.280 nan 0.000 0.526 839 Y N 1.410 121.857 120.300 0.244 0.000 2.260 839 Y HA 0.112 4.665 4.550 0.006 0.000 0.339 839 Y C 0.597 176.552 175.900 0.092 0.000 1.317 839 Y CA -0.835 57.399 58.100 0.225 0.000 1.514 839 Y CB 0.372 39.032 38.460 0.334 0.000 1.382 839 Y HN -0.093 nan 8.280 nan 0.000 0.581 840 D N 1.859 122.212 120.400 -0.079 0.000 2.424 840 D HA 0.017 4.661 4.640 0.006 0.000 0.244 840 D C -0.817 175.550 176.300 0.112 0.000 1.134 840 D CA 0.096 54.066 54.000 -0.049 0.000 0.881 840 D CB 0.591 41.279 40.800 -0.186 0.000 1.191 840 D HN 0.259 nan 8.370 nan 0.000 0.445 841 K N 4.224 124.651 120.400 0.045 0.000 2.111 841 K HA 0.178 4.502 4.320 0.006 0.000 0.249 841 K C -0.480 176.143 176.600 0.039 0.000 1.157 841 K CA -0.394 55.913 56.287 0.034 0.000 1.048 841 K CB -0.052 32.444 32.500 -0.006 0.000 1.498 841 K HN 0.326 nan 8.250 nan 0.000 0.344 842 L N 0.000 121.272 121.223 0.081 0.000 2.949 842 L HA 0.000 4.344 4.340 0.006 0.000 0.249 842 L CA 0.000 54.887 54.840 0.078 0.000 0.813 842 L CB 0.000 42.127 42.059 0.114 0.000 0.961 842 L HN 0.000 nan 8.230 nan 0.000 0.502