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 2hj0_1_A DATA FIRST_RESID 3 DATA SEQUENCE ENKLGRDIPR KYANQYGVFE XELAHIKSYK ESSRQVKPVK PSDDKLLSSI DATA SEQUENCE HEAIEKTRLK DGXTISFHHH FREGDYVXNX VLDEIAKXGI KDISIAPSSI DATA SEQUENCE ANVHEPLIDH IKNGVVTNIT SSGLRDKVGA AISEGIXENP VIIRSHGGRA DATA SEQUENCE RAIATDDIHI DVAFLGAPSS DAYGNANGTR GKTTCGSLGY AXIDAKYADQ DATA SEQUENCE VVIVTDTLVP YPNTPISIPQ TDVDYIVVVD AIGDPEGIAK GATRYTKNPK DATA SEQUENCE ELLIAEYAAK VITSSPYYKE GFSFQTGTGG ASLAVTRFXR EQXIKDDIKA DATA SEQUENCE NFALGGITNA XVELLEEGLV DKILDVQDFD HPSAVSLDRN AEKHYEIDAN DATA SEQUENCE XYASPLSKGS VINQLDICVL SALEVDTNFN VNVXTGSDGV IRGASGGHCD DATA SEQUENCE TAFAAKXSLV ISPLVRGRIP TFVDKVNTVI TPGTSVDVVV TEVGIAINPN DATA SEQUENCE RPDLIEYFKD LKVPQLTIEE LKEKAYAIVG NPQPIQYGDK IVALIEYRDG DATA SEQUENCE SLIDVVRNVL E 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 3 E HA 0.000 nan 4.350 nan 0.000 0.291 3 E C 0.000 176.612 176.600 0.020 0.000 1.382 3 E CA 0.000 56.408 56.400 0.013 0.000 0.976 3 E CB 0.000 29.704 29.700 0.006 0.000 0.812 4 N N -0.533 118.180 118.700 0.023 0.000 2.823 4 N HA 0.388 5.128 4.740 -0.000 0.000 0.324 4 N C 0.414 175.942 175.510 0.030 0.000 1.336 4 N CA -0.556 52.515 53.050 0.035 0.000 0.861 4 N CB 0.413 38.929 38.487 0.048 0.000 1.157 4 N HN 0.305 nan 8.380 nan 0.000 0.585 5 K N -0.312 120.114 120.400 0.043 0.000 1.981 5 K HA -0.162 4.158 4.320 -0.000 0.000 0.228 5 K C 0.552 177.163 176.600 0.018 0.000 1.050 5 K CA 1.322 57.631 56.287 0.037 0.000 1.001 5 K CB -1.164 31.365 32.500 0.048 0.000 0.738 5 K HN 0.316 nan 8.250 nan 0.000 0.447 6 L N -0.105 121.120 121.223 0.003 0.000 2.482 6 L HA 0.127 4.467 4.340 -0.000 0.000 0.242 6 L C 1.327 178.193 176.870 -0.006 0.000 1.210 6 L CA -0.196 54.642 54.840 -0.003 0.000 0.819 6 L CB 0.198 42.245 42.059 -0.019 0.000 1.203 6 L HN 0.367 nan 8.230 nan 0.000 0.495 7 G N 0.663 109.457 108.800 -0.009 0.000 3.353 7 G HA2 0.124 4.084 3.960 -0.000 0.000 0.247 7 G HA3 0.124 4.084 3.960 -0.000 0.000 0.247 7 G C 0.034 174.918 174.900 -0.026 0.000 1.025 7 G CA -0.398 44.693 45.100 -0.014 0.000 1.863 7 G HN 0.183 nan 8.290 nan 0.000 0.635 8 R N 0.680 121.165 120.500 -0.025 0.000 2.407 8 R HA 0.291 4.631 4.340 -0.000 0.000 0.303 8 R C -0.808 175.477 176.300 -0.025 0.000 0.981 8 R CA -1.188 54.891 56.100 -0.035 0.000 0.905 8 R CB 1.392 31.669 30.300 -0.039 0.000 1.099 8 R HN 0.118 nan 8.270 nan 0.000 0.459 9 D N 3.551 123.930 120.400 -0.034 0.000 2.638 9 D HA 0.192 4.832 4.640 -0.000 0.000 0.245 9 D C -0.430 175.869 176.300 -0.002 0.000 1.176 9 D CA -0.196 53.792 54.000 -0.020 0.000 0.996 9 D CB 0.097 40.876 40.800 -0.034 0.000 1.012 9 D HN 0.411 nan 8.370 nan 0.000 0.515 10 I N 4.133 124.711 120.570 0.014 0.000 2.312 10 I HA 0.164 4.334 4.170 -0.000 0.000 0.291 10 I C -1.679 174.484 176.117 0.076 0.000 1.031 10 I CA -1.678 59.650 61.300 0.046 0.000 1.293 10 I CB 1.306 39.330 38.000 0.041 0.000 1.403 10 I HN 0.054 nan 8.210 nan 0.000 0.484 11 P HA 0.019 nan 4.420 nan 0.000 0.265 11 P C 0.454 177.791 177.300 0.062 0.000 1.193 11 P CA -0.281 62.865 63.100 0.078 0.000 0.765 11 P CB 0.785 32.540 31.700 0.091 0.000 0.823 12 R N 2.456 122.970 120.500 0.022 0.000 2.170 12 R HA -0.186 4.154 4.340 -0.000 0.000 0.242 12 R C 2.057 178.348 176.300 -0.015 0.000 1.145 12 R CA 1.553 57.662 56.100 0.015 0.000 0.984 12 R CB -0.436 29.865 30.300 0.002 0.000 0.869 12 R HN 0.592 nan 8.270 nan 0.000 0.455 13 K N -0.358 119.981 120.400 -0.102 0.000 2.063 13 K HA -0.199 4.121 4.320 -0.000 0.000 0.208 13 K C 1.492 177.958 176.600 -0.223 0.000 1.048 13 K CA 1.686 57.830 56.287 -0.237 0.000 0.928 13 K CB -0.062 32.168 32.500 -0.450 0.000 0.713 13 K HN 0.127 nan 8.250 nan 0.000 0.442 14 Y N -0.597 119.751 120.300 0.080 0.000 2.436 14 Y HA 0.226 4.776 4.550 -0.000 0.000 0.288 14 Y C 2.174 178.165 175.900 0.152 0.000 1.112 14 Y CA 0.412 58.591 58.100 0.133 0.000 1.220 14 Y CB -0.389 38.108 38.460 0.061 0.000 1.073 14 Y HN 0.111 nan 8.280 nan 0.000 0.552 15 A N 0.191 123.148 122.820 0.227 0.000 2.019 15 A HA -0.205 4.115 4.320 -0.000 0.000 0.219 15 A C 2.143 179.822 177.584 0.158 0.000 1.164 15 A CA 1.907 54.047 52.037 0.172 0.000 0.644 15 A CB -0.598 18.470 19.000 0.114 0.000 0.805 15 A HN 0.519 nan 8.150 nan 0.000 0.449 16 N N -1.403 117.371 118.700 0.124 0.000 2.387 16 N HA -0.088 4.652 4.740 -0.000 0.000 0.176 16 N C 1.867 177.433 175.510 0.092 0.000 1.022 16 N CA 0.562 53.663 53.050 0.085 0.000 0.883 16 N CB -0.145 38.365 38.487 0.039 0.000 1.019 16 N HN 0.467 nan 8.380 nan 0.000 0.435 17 Q N -0.253 119.626 119.800 0.131 0.000 2.020 17 Q HA -0.096 4.244 4.340 -0.000 0.000 0.202 17 Q C 0.086 176.096 176.000 0.017 0.000 0.982 17 Q CA 1.370 57.228 55.803 0.092 0.000 0.838 17 Q CB 0.034 28.911 28.738 0.232 0.000 0.899 17 Q HN 0.368 nan 8.270 nan 0.000 0.423 18 Y N -1.226 119.137 120.300 0.105 0.000 2.545 18 Y HA 0.445 4.995 4.550 0.000 0.000 0.324 18 Y C 0.816 176.782 175.900 0.109 0.000 1.220 18 Y CA -0.745 57.410 58.100 0.092 0.000 1.290 18 Y CB 0.741 39.249 38.460 0.080 0.000 1.355 18 Y HN 0.034 nan 8.280 nan 0.000 0.516 19 G N 0.386 109.368 108.800 0.304 0.000 2.343 19 G HA2 0.280 4.240 3.960 -0.000 0.000 0.254 19 G HA3 0.280 4.240 3.960 -0.000 0.000 0.254 19 G C -0.913 174.189 174.900 0.336 0.000 1.277 19 G CA -0.360 44.936 45.100 0.327 0.000 0.909 19 G HN 0.470 nan 8.290 nan 0.000 0.502 20 V N 5.880 125.988 119.914 0.324 0.000 2.258 20 V HA 0.696 4.816 4.120 -0.000 0.000 0.258 20 V C -0.470 175.849 176.094 0.374 0.000 1.121 20 V CA -0.274 62.178 62.300 0.255 0.000 0.942 20 V CB -1.729 30.192 31.823 0.162 0.000 1.170 20 V HN 0.859 nan 8.190 nan 0.000 0.487 21 F N 3.201 123.153 119.950 0.003 0.000 3.593 21 F HA 0.747 5.274 4.527 0.000 0.000 0.323 21 F C -1.366 174.382 175.800 -0.086 0.000 1.006 21 F CA -0.622 57.359 58.000 -0.032 0.000 0.812 21 F CB 0.676 39.666 39.000 -0.017 0.000 1.650 21 F HN 0.413 nan 8.300 nan 0.000 0.449 25 L N 2.268 123.567 121.223 0.126 0.000 2.506 25 L HA 0.266 4.606 4.340 -0.000 0.000 0.281 25 L C 0.901 177.922 176.870 0.251 0.000 1.228 25 L CA 1.004 55.939 54.840 0.157 0.000 0.850 25 L CB 0.319 42.453 42.059 0.125 0.000 1.110 25 L HN 0.781 nan 8.230 nan 0.000 0.496 26 A N 4.170 127.181 122.820 0.319 0.000 3.200 26 A HA 0.536 4.856 4.320 -0.000 0.000 0.208 26 A C 0.022 177.682 177.584 0.126 0.000 1.360 26 A CA -0.435 51.755 52.037 0.255 0.000 0.892 26 A CB 0.700 19.864 19.000 0.273 0.000 1.600 26 A HN 0.787 nan 8.150 nan 0.000 0.501 27 H N -0.927 118.203 119.070 0.099 0.000 2.570 27 H HA 0.635 5.191 4.556 -0.000 0.000 0.342 27 H C -0.776 174.604 175.328 0.088 0.000 1.245 27 H CA 0.080 56.178 56.048 0.084 0.000 1.318 27 H CB 1.453 31.249 29.762 0.056 0.000 1.694 27 H HN 0.649 nan 8.280 nan 0.000 0.592 28 I N -0.945 119.744 120.570 0.199 0.000 2.647 28 I HA 0.522 4.692 4.170 -0.000 0.000 0.295 28 I C -1.005 175.204 176.117 0.154 0.000 1.078 28 I CA -0.978 60.413 61.300 0.151 0.000 1.048 28 I CB 2.487 40.556 38.000 0.115 0.000 1.239 28 I HN 0.069 nan 8.210 nan 0.000 0.421 29 K N 2.543 123.031 120.400 0.146 0.000 2.433 29 K HA 0.477 4.797 4.320 -0.000 0.000 0.252 29 K C -0.501 176.192 176.600 0.154 0.000 1.015 29 K CA -0.531 55.833 56.287 0.127 0.000 0.860 29 K CB 2.405 34.964 32.500 0.097 0.000 1.359 29 K HN 0.954 nan 8.250 nan 0.000 0.452 30 S N 0.877 116.633 115.700 0.093 0.000 2.558 30 S HA 0.125 4.595 4.470 -0.000 0.000 0.287 30 S C -0.176 174.491 174.600 0.112 0.000 1.321 30 S CA 0.121 58.345 58.200 0.039 0.000 1.048 30 S CB -0.284 62.908 63.200 -0.013 0.000 0.844 30 S HN 0.465 nan 8.310 nan 0.000 0.512 31 Y N -1.117 119.198 120.300 0.026 0.000 2.625 31 Y HA 0.666 5.216 4.550 0.000 0.000 0.338 31 Y C -0.870 175.045 175.900 0.025 0.000 1.123 31 Y CA -1.586 56.528 58.100 0.022 0.000 1.046 31 Y CB 1.099 39.571 38.460 0.019 0.000 1.299 31 Y HN 0.480 nan 8.280 nan 0.000 0.464 32 K N 2.893 123.426 120.400 0.223 0.000 2.267 32 K HA 0.116 4.436 4.320 -0.000 0.000 0.282 32 K C -0.357 176.414 176.600 0.284 0.000 1.078 32 K CA -0.213 56.156 56.287 0.137 0.000 0.903 32 K CB 1.155 33.718 32.500 0.104 0.000 1.111 32 K HN 0.976 nan 8.250 nan 0.000 0.475 33 E N 1.919 122.248 120.200 0.216 0.000 2.436 33 E HA -0.069 4.281 4.350 -0.000 0.000 0.262 33 E C -0.396 176.347 176.600 0.239 0.000 1.063 33 E CA 0.167 56.761 56.400 0.324 0.000 0.944 33 E CB 0.686 30.537 29.700 0.252 0.000 0.950 33 E HN 0.422 nan 8.360 nan 0.000 0.444 34 S N 1.844 117.676 115.700 0.219 0.000 2.562 34 S HA 0.120 4.590 4.470 -0.000 0.000 0.281 34 S C -0.524 174.249 174.600 0.288 0.000 1.333 34 S CA -0.047 58.284 58.200 0.218 0.000 1.052 34 S CB 0.418 63.695 63.200 0.129 0.000 0.884 34 S HN 0.505 nan 8.310 nan 0.000 0.506 35 S N 4.459 120.306 115.700 0.246 0.000 2.536 35 S HA 0.725 5.195 4.470 -0.000 0.000 0.298 35 S C -0.524 174.225 174.600 0.248 0.000 1.083 35 S CA -1.169 57.148 58.200 0.195 0.000 0.995 35 S CB 1.321 64.592 63.200 0.118 0.000 1.058 35 S HN 0.956 nan 8.310 nan 0.000 0.488 36 R N 1.045 121.646 120.500 0.169 0.000 2.758 36 R HA 0.502 4.842 4.340 -0.000 0.000 0.265 36 R C -0.844 175.515 176.300 0.099 0.000 1.016 36 R CA -0.960 55.243 56.100 0.172 0.000 1.040 36 R CB 0.608 30.953 30.300 0.074 0.000 1.152 36 R HN 0.552 nan 8.270 nan 0.000 0.503 37 Q N 1.718 121.575 119.800 0.096 0.000 2.503 37 Q HA 0.205 4.545 4.340 -0.000 0.000 0.227 37 Q C -0.663 175.345 176.000 0.012 0.000 1.109 37 Q CA -0.344 55.484 55.803 0.041 0.000 0.922 37 Q CB 1.555 30.314 28.738 0.036 0.000 1.249 37 Q HN 0.389 nan 8.270 nan 0.000 0.530 38 V N 3.292 123.203 119.914 -0.005 0.000 2.614 38 V HA 0.132 4.252 4.120 -0.000 0.000 0.291 38 V C 0.478 176.550 176.094 -0.037 0.000 1.049 38 V CA -0.094 62.187 62.300 -0.032 0.000 1.038 38 V CB 0.829 32.631 31.823 -0.036 0.000 0.980 38 V HN 0.454 nan 8.190 nan 0.000 0.481 39 K N 6.101 126.466 120.400 -0.059 0.000 2.347 39 K HA 0.369 4.689 4.320 -0.000 0.000 0.262 39 K C -2.289 174.265 176.600 -0.076 0.000 1.052 39 K CA -1.426 54.826 56.287 -0.058 0.000 0.946 39 K CB 1.106 33.569 32.500 -0.062 0.000 1.220 39 K HN 0.552 nan 8.250 nan 0.000 0.450 40 P HA -0.038 nan 4.420 nan 0.000 0.265 40 P C -0.408 176.855 177.300 -0.061 0.000 1.187 40 P CA -0.196 62.872 63.100 -0.054 0.000 0.766 40 P CB 0.753 32.434 31.700 -0.031 0.000 0.820 41 V N 4.032 123.904 119.914 -0.070 0.000 2.427 41 V HA 0.192 4.312 4.120 -0.000 0.000 0.286 41 V C 0.868 176.951 176.094 -0.017 0.000 1.034 41 V CA -0.659 61.602 62.300 -0.065 0.000 0.893 41 V CB 1.148 32.898 31.823 -0.122 0.000 0.982 41 V HN 0.493 nan 8.190 nan 0.000 0.452 42 K N 6.708 127.107 120.400 -0.001 0.000 2.295 42 K HA 0.215 4.535 4.320 -0.000 0.000 0.270 42 K C -1.362 175.257 176.600 0.032 0.000 1.011 42 K CA -1.278 55.017 56.287 0.014 0.000 0.953 42 K CB 0.675 33.184 32.500 0.016 0.000 0.956 42 K HN 0.415 nan 8.250 nan 0.000 0.477 43 P HA -0.208 nan 4.420 nan 0.000 0.220 43 P C 0.589 177.909 177.300 0.032 0.000 1.144 43 P CA 1.394 64.515 63.100 0.035 0.000 0.800 43 P CB 0.228 31.936 31.700 0.014 0.000 0.772 44 S N -2.827 112.891 115.700 0.029 0.000 2.540 44 S HA 0.104 4.574 4.470 -0.000 0.000 0.218 44 S C 0.467 175.095 174.600 0.045 0.000 0.977 44 S CA -0.577 57.639 58.200 0.027 0.000 0.918 44 S CB -0.493 62.718 63.200 0.017 0.000 0.806 44 S HN -0.100 nan 8.310 nan 0.000 0.496 45 D N 2.909 123.345 120.400 0.059 0.000 2.389 45 D HA 0.241 4.881 4.640 -0.000 0.000 0.247 45 D C -0.795 175.567 176.300 0.103 0.000 1.128 45 D CA 0.334 54.375 54.000 0.069 0.000 0.884 45 D CB 0.820 41.647 40.800 0.045 0.000 1.194 45 D HN 0.253 nan 8.370 nan 0.000 0.441 46 D N 1.399 121.862 120.400 0.105 0.000 2.274 46 D HA 0.099 4.739 4.640 -0.000 0.000 0.239 46 D C 0.336 176.729 176.300 0.155 0.000 1.104 46 D CA -0.353 53.724 54.000 0.128 0.000 0.840 46 D CB 0.931 41.793 40.800 0.103 0.000 1.100 46 D HN 0.175 nan 8.370 nan 0.000 0.477 47 K N 2.342 122.834 120.400 0.153 0.000 2.393 47 K HA 0.200 4.520 4.320 -0.000 0.000 0.193 47 K C 0.779 177.519 176.600 0.233 0.000 1.026 47 K CA -0.106 56.266 56.287 0.141 0.000 1.064 47 K CB 0.670 33.141 32.500 -0.049 0.000 0.833 47 K HN 0.289 nan 8.250 nan 0.000 0.521 48 L N 2.200 123.534 121.223 0.186 0.000 2.349 48 L HA 0.176 4.516 4.340 -0.000 0.000 0.275 48 L C -0.711 176.239 176.870 0.134 0.000 1.115 48 L CA -0.531 54.403 54.840 0.157 0.000 0.820 48 L CB 0.612 42.745 42.059 0.124 0.000 1.135 48 L HN -0.032 nan 8.230 nan 0.000 0.445 49 L N 2.061 123.349 121.223 0.109 0.000 2.286 49 L HA 0.393 4.733 4.340 -0.000 0.000 0.265 49 L C 0.982 177.883 176.870 0.051 0.000 1.012 49 L CA 0.116 54.988 54.840 0.053 0.000 0.818 49 L CB 1.985 44.043 42.059 -0.001 0.000 1.337 49 L HN 0.680 nan 8.230 nan 0.000 0.438 50 S N -1.486 114.234 115.700 0.034 0.000 2.421 50 S HA 0.154 4.624 4.470 -0.000 0.000 0.224 50 S C 0.565 175.189 174.600 0.040 0.000 1.035 50 S CA 0.547 58.768 58.200 0.035 0.000 0.953 50 S CB -0.079 63.135 63.200 0.023 0.000 0.810 50 S HN 0.716 nan 8.310 nan 0.000 0.497 51 S N -0.751 114.977 115.700 0.047 0.000 2.671 51 S HA 0.632 5.102 4.470 -0.000 0.000 0.277 51 S C 0.277 174.920 174.600 0.072 0.000 1.165 51 S CA -0.748 57.487 58.200 0.060 0.000 0.822 51 S CB 0.458 63.696 63.200 0.062 0.000 1.150 51 S HN -0.010 nan 8.310 nan 0.000 0.479 52 I N 1.017 121.630 120.570 0.071 0.000 2.361 52 I HA -0.030 4.140 4.170 -0.000 0.000 0.251 52 I C 2.372 178.517 176.117 0.047 0.000 1.133 52 I CA 1.689 63.023 61.300 0.057 0.000 1.413 52 I CB -0.856 37.151 38.000 0.011 0.000 1.073 52 I HN 0.948 nan 8.210 nan 0.000 0.424 53 H N 0.527 119.590 119.070 -0.012 0.000 2.265 53 H HA -0.251 4.305 4.556 -0.000 0.000 0.295 53 H C 2.303 177.620 175.328 -0.018 0.000 1.084 53 H CA 2.380 58.418 56.048 -0.016 0.000 1.261 53 H CB -0.038 29.713 29.762 -0.017 0.000 1.360 53 H HN 0.374 nan 8.280 nan 0.000 0.487 54 E N -0.286 120.001 120.200 0.146 0.000 2.209 54 E HA -0.207 4.143 4.350 -0.000 0.000 0.196 54 E C 2.192 178.739 176.600 -0.087 0.000 0.993 54 E CA 0.736 57.159 56.400 0.039 0.000 0.819 54 E CB -0.197 29.512 29.700 0.014 0.000 0.745 54 E HN 0.613 nan 8.360 nan 0.000 0.477 55 A N 1.064 123.853 122.820 -0.052 0.000 1.877 55 A HA -0.161 4.159 4.320 -0.000 0.000 0.216 55 A C 2.124 179.708 177.584 0.000 0.000 1.186 55 A CA 1.332 53.333 52.037 -0.059 0.000 0.620 55 A CB -0.592 18.480 19.000 0.119 0.000 0.822 55 A HN 0.310 nan 8.150 nan 0.000 0.443 56 I N -0.588 120.004 120.570 0.037 0.000 2.286 56 I HA -0.255 3.915 4.170 -0.000 0.000 0.248 56 I C 2.558 178.656 176.117 -0.032 0.000 1.115 56 I CA 1.724 63.052 61.300 0.047 0.000 1.392 56 I CB -0.355 37.597 38.000 -0.080 0.000 1.065 56 I HN 0.545 nan 8.210 nan 0.000 0.418 57 E N 1.778 121.919 120.200 -0.098 0.000 2.001 57 E HA -0.219 4.131 4.350 -0.000 0.000 0.193 57 E C 1.960 178.523 176.600 -0.062 0.000 0.994 57 E CA 1.172 57.527 56.400 -0.076 0.000 0.815 57 E CB 0.041 29.714 29.700 -0.046 0.000 0.770 57 E HN 0.338 nan 8.360 nan 0.000 0.453 58 K N -0.184 120.137 120.400 -0.131 0.000 2.519 58 K HA -0.084 4.236 4.320 -0.000 0.000 0.196 58 K C 1.702 178.269 176.600 -0.054 0.000 1.041 58 K CA 0.911 57.103 56.287 -0.159 0.000 0.954 58 K CB -0.056 32.196 32.500 -0.414 0.000 0.774 58 K HN 0.107 nan 8.250 nan 0.000 0.480 59 T N -0.460 114.082 114.554 -0.020 0.000 3.065 59 T HA 0.042 4.392 4.350 -0.000 0.000 0.252 59 T C 0.163 174.899 174.700 0.060 0.000 1.099 59 T CA 0.033 62.183 62.100 0.084 0.000 1.063 59 T CB 0.034 68.945 68.868 0.072 0.000 0.948 59 T HN 0.162 nan 8.240 nan 0.000 0.506 60 R N -0.335 120.186 120.500 0.035 0.000 3.878 60 R HA -0.112 4.228 4.340 -0.000 0.000 0.330 60 R C -0.461 175.858 176.300 0.031 0.000 1.186 60 R CA 0.180 56.298 56.100 0.030 0.000 0.885 60 R CB -2.626 27.695 30.300 0.036 0.000 1.377 60 R HN 0.373 nan 8.270 nan 0.000 0.523 61 L N 0.941 122.188 121.223 0.041 0.000 2.559 61 L HA 0.101 4.441 4.340 -0.000 0.000 0.274 61 L C 0.391 177.282 176.870 0.035 0.000 1.205 61 L CA 1.316 56.187 54.840 0.052 0.000 0.907 61 L CB 0.297 42.412 42.059 0.093 0.000 1.153 61 L HN 0.135 nan 8.230 nan 0.000 0.490 62 K N 2.892 123.312 120.400 0.034 0.000 2.349 62 K HA 0.433 4.753 4.320 -0.000 0.000 0.243 62 K C -1.051 175.567 176.600 0.029 0.000 1.058 62 K CA -1.213 55.090 56.287 0.026 0.000 0.871 62 K CB 0.831 33.344 32.500 0.022 0.000 1.337 62 K HN 0.425 nan 8.250 nan 0.000 0.469 63 D N 0.504 120.918 120.400 0.024 0.000 2.399 63 D HA 0.318 4.958 4.640 -0.000 0.000 0.241 63 D C 0.644 176.961 176.300 0.028 0.000 1.133 63 D CA 1.319 55.334 54.000 0.026 0.000 0.890 63 D CB 0.607 41.420 40.800 0.022 0.000 1.201 63 D HN 0.702 nan 8.370 nan 0.000 0.432 67 I N -0.030 120.559 120.570 0.032 0.000 2.892 67 I HA 0.975 5.145 4.170 -0.000 0.000 0.306 67 I C -0.234 175.809 176.117 -0.123 0.000 1.078 67 I CA -0.904 60.371 61.300 -0.042 0.000 1.032 67 I CB 2.498 40.555 38.000 0.095 0.000 1.229 67 I HN 0.703 nan 8.210 nan 0.000 0.435 68 S N 2.208 117.705 115.700 -0.339 0.000 2.667 68 S HA 0.869 5.339 4.470 -0.000 0.000 0.292 68 S C -1.057 173.141 174.600 -0.669 0.000 1.126 68 S CA -0.598 57.430 58.200 -0.287 0.000 0.881 68 S CB 1.873 65.016 63.200 -0.096 0.000 1.132 68 S HN 0.639 nan 8.310 nan 0.000 0.492 69 F N -0.242 119.767 119.950 0.099 0.000 2.686 69 F HA 0.533 5.060 4.527 0.000 0.000 0.311 69 F C 0.100 175.959 175.800 0.099 0.000 1.128 69 F CA -0.870 57.174 58.000 0.073 0.000 0.946 69 F CB 1.540 40.543 39.000 0.005 0.000 1.336 69 F HN 0.929 nan 8.300 nan 0.000 0.457 70 H N -0.504 118.773 119.070 0.345 0.000 2.737 70 H HA 0.436 4.991 4.556 -0.000 0.000 0.358 70 H C -0.833 174.642 175.328 0.244 0.000 1.187 70 H CA -0.694 55.500 56.048 0.243 0.000 1.221 70 H CB 1.849 31.719 29.762 0.180 0.000 1.799 70 H HN 0.854 nan 8.280 nan 0.000 0.568 71 H N 0.335 119.524 119.070 0.197 0.000 2.467 71 H HA 0.146 4.702 4.556 0.000 0.000 0.275 71 H C -0.174 175.216 175.328 0.103 0.000 1.131 71 H CA -0.448 55.684 56.048 0.141 0.000 0.989 71 H CB -0.932 28.866 29.762 0.060 0.000 1.696 71 H HN 0.754 nan 8.280 nan 0.000 0.574 72 H N -0.206 118.890 119.070 0.043 0.000 2.521 72 H HA 0.018 4.574 4.556 0.000 0.000 0.286 72 H C 0.645 175.794 175.328 -0.299 0.000 1.034 72 H CA 1.406 57.273 56.048 -0.301 0.000 1.278 72 H CB 0.089 29.535 29.762 -0.527 0.000 1.386 72 H HN 0.327 nan 8.280 nan 0.000 0.567 73 F N -0.083 119.971 119.950 0.172 0.000 2.765 73 F HA 0.100 4.627 4.527 -0.000 0.000 0.302 73 F C 1.236 177.035 175.800 -0.002 0.000 1.111 73 F CA -0.276 57.756 58.000 0.053 0.000 1.359 73 F CB 0.246 39.262 39.000 0.027 0.000 1.097 73 F HN -0.026 nan 8.300 nan 0.000 0.577 74 R N 0.242 120.840 120.500 0.162 0.000 3.750 74 R HA -0.286 4.054 4.340 -0.000 0.000 0.495 74 R C 1.170 177.485 176.300 0.027 0.000 0.241 74 R CA 1.562 57.720 56.100 0.097 0.000 1.551 74 R CB -1.103 29.223 30.300 0.043 0.000 0.956 74 R HN 0.123 nan 8.270 nan 0.000 0.584 75 E N 0.855 121.053 120.200 -0.003 0.000 2.472 75 E HA -0.048 4.302 4.350 -0.000 0.000 0.200 75 E C 1.638 178.208 176.600 -0.051 0.000 1.046 75 E CA 1.309 57.679 56.400 -0.050 0.000 0.871 75 E CB -0.181 29.508 29.700 -0.018 0.000 0.806 75 E HN 0.658 nan 8.360 nan 0.000 0.533 76 G N 0.921 109.697 108.800 -0.040 0.000 3.088 76 G HA2 -0.066 3.894 3.960 -0.000 0.000 0.217 76 G HA3 -0.066 3.894 3.960 -0.000 0.000 0.217 76 G C 0.193 174.926 174.900 -0.279 0.000 1.159 76 G CA -0.373 44.640 45.100 -0.145 0.000 0.760 76 G HN 0.125 nan 8.290 nan 0.000 0.550 77 D N -0.805 119.552 120.400 -0.071 0.000 2.443 77 D HA 0.107 4.747 4.640 -0.000 0.000 0.239 77 D C 0.632 177.008 176.300 0.126 0.000 1.136 77 D CA 0.234 54.241 54.000 0.012 0.000 0.879 77 D CB 0.400 41.325 40.800 0.208 0.000 1.195 77 D HN 0.305 nan 8.370 nan 0.000 0.443 78 Y N 1.662 121.939 120.300 -0.039 0.000 2.512 78 Y HA 0.123 4.673 4.550 -0.000 0.000 0.268 78 Y C 0.973 176.862 175.900 -0.018 0.000 1.102 78 Y CA -0.722 57.352 58.100 -0.043 0.000 1.261 78 Y CB 0.647 39.055 38.460 -0.087 0.000 1.250 78 Y HN 0.188 nan 8.280 nan 0.000 0.506 84 L N 1.732 122.784 121.223 -0.286 0.000 1.997 84 L HA -0.237 4.103 4.340 -0.000 0.000 0.216 84 L C 2.244 178.871 176.870 -0.404 0.000 1.074 84 L CA 2.829 57.442 54.840 -0.378 0.000 0.763 84 L CB -0.814 40.943 42.059 -0.504 0.000 0.890 84 L HN 0.625 nan 8.230 nan 0.000 0.434 85 D N -0.945 119.319 120.400 -0.226 0.000 2.123 85 D HA -0.251 4.389 4.640 -0.000 0.000 0.196 85 D C 1.970 178.250 176.300 -0.033 0.000 0.992 85 D CA 1.345 55.333 54.000 -0.020 0.000 0.833 85 D CB 0.316 41.146 40.800 0.051 0.000 0.954 85 D HN 0.350 nan 8.370 nan 0.000 0.455 86 E N 0.247 120.402 120.200 -0.076 0.000 2.150 86 E HA -0.104 4.246 4.350 -0.000 0.000 0.193 86 E C 2.220 178.771 176.600 -0.083 0.000 0.985 86 E CA 0.467 56.836 56.400 -0.052 0.000 0.814 86 E CB -0.170 29.491 29.700 -0.065 0.000 0.752 86 E HN 0.328 nan 8.360 nan 0.000 0.466 87 I N 0.578 121.068 120.570 -0.133 0.000 2.179 87 I HA -0.205 3.965 4.170 -0.000 0.000 0.242 87 I C 2.306 178.384 176.117 -0.065 0.000 1.088 87 I CA 1.316 62.548 61.300 -0.113 0.000 1.357 87 I CB -1.611 36.312 38.000 -0.128 0.000 1.051 87 I HN 0.161 nan 8.210 nan 0.000 0.409 88 A N 0.686 123.469 122.820 -0.061 0.000 1.858 88 A HA -0.183 4.137 4.320 -0.000 0.000 0.216 88 A C 1.658 179.265 177.584 0.039 0.000 1.190 88 A CA 1.137 53.192 52.037 0.029 0.000 0.617 88 A CB -0.465 18.635 19.000 0.167 0.000 0.827 88 A HN 0.234 nan 8.150 nan 0.000 0.443 92 I N 1.330 121.902 120.570 0.004 0.000 2.428 92 I HA 0.451 4.621 4.170 -0.000 0.000 0.289 92 I C 0.298 176.421 176.117 0.011 0.000 1.019 92 I CA -0.027 61.276 61.300 0.005 0.000 1.351 92 I CB 1.502 39.500 38.000 -0.005 0.000 1.412 92 I HN -0.102 nan 8.210 nan 0.000 0.513 93 K N 2.798 123.209 120.400 0.018 0.000 2.430 93 K HA 0.270 4.590 4.320 -0.000 0.000 0.268 93 K C -0.715 175.902 176.600 0.027 0.000 1.043 93 K CA -0.865 55.437 56.287 0.024 0.000 0.899 93 K CB 1.314 33.830 32.500 0.027 0.000 1.472 93 K HN 0.531 nan 8.250 nan 0.000 0.451 94 D N 0.931 121.350 120.400 0.031 0.000 2.723 94 D HA -0.150 4.490 4.640 -0.000 0.000 0.236 94 D C -0.849 175.473 176.300 0.037 0.000 1.138 94 D CA 0.352 54.373 54.000 0.033 0.000 0.676 94 D CB -0.575 40.243 40.800 0.030 0.000 1.069 94 D HN 0.277 nan 8.370 nan 0.000 0.430 95 I N 0.547 121.140 120.570 0.039 0.000 2.472 95 I HA 0.229 4.399 4.170 -0.000 0.000 0.290 95 I C 0.923 177.073 176.117 0.056 0.000 1.016 95 I CA -0.201 61.128 61.300 0.049 0.000 1.348 95 I CB 1.382 39.412 38.000 0.050 0.000 1.417 95 I HN 0.088 nan 8.210 nan 0.000 0.521 96 S N 6.792 122.530 115.700 0.063 0.000 2.422 96 S HA 0.482 4.952 4.470 -0.000 0.000 0.298 96 S C -0.302 174.348 174.600 0.083 0.000 1.118 96 S CA -0.549 57.690 58.200 0.064 0.000 1.083 96 S CB 0.272 63.506 63.200 0.057 0.000 0.971 96 S HN 0.450 nan 8.310 nan 0.000 0.478 97 I N 4.620 125.244 120.570 0.090 0.000 2.365 97 I HA 0.550 4.720 4.170 -0.000 0.000 0.291 97 I C 0.130 176.312 176.117 0.109 0.000 1.004 97 I CA -0.358 61.022 61.300 0.133 0.000 1.311 97 I CB 1.211 39.281 38.000 0.118 0.000 1.401 97 I HN 0.745 nan 8.210 nan 0.000 0.491 98 A N 9.160 132.058 122.820 0.130 0.000 3.253 98 A HA 0.481 4.801 4.320 -0.000 0.000 0.290 98 A C -2.631 175.029 177.584 0.126 0.000 0.950 98 A CA -1.140 50.951 52.037 0.091 0.000 0.986 98 A CB -0.215 18.815 19.000 0.050 0.000 1.104 98 A HN 0.445 nan 8.150 nan 0.000 0.481 99 P HA 0.110 nan 4.420 nan 0.000 0.275 99 P C 1.058 178.419 177.300 0.102 0.000 1.228 99 P CA 0.194 63.408 63.100 0.191 0.000 0.786 99 P CB 1.514 33.286 31.700 0.120 0.000 0.927 100 S N 1.264 117.052 115.700 0.146 0.000 2.400 100 S HA -0.042 4.428 4.470 -0.000 0.000 0.232 100 S C 0.905 175.424 174.600 -0.134 0.000 1.025 100 S CA 0.847 59.094 58.200 0.078 0.000 0.993 100 S CB -0.421 62.892 63.200 0.189 0.000 0.808 100 S HN 0.654 nan 8.310 nan 0.000 0.478 101 S N -1.119 114.467 115.700 -0.190 0.000 2.611 101 S HA 0.590 5.060 4.470 -0.000 0.000 0.270 101 S C -1.985 172.542 174.600 -0.123 0.000 1.131 101 S CA -0.942 57.037 58.200 -0.369 0.000 0.826 101 S CB 0.861 63.454 63.200 -1.010 0.000 1.095 101 S HN 0.351 nan 8.310 nan 0.000 0.461 102 I N 2.500 123.040 120.570 -0.050 0.000 2.406 102 I HA 0.680 4.850 4.170 -0.000 0.000 0.290 102 I C 0.344 176.570 176.117 0.181 0.000 0.999 102 I CA -0.552 60.830 61.300 0.137 0.000 1.124 102 I CB 1.680 39.710 38.000 0.050 0.000 1.289 102 I HN 0.743 nan 8.210 nan 0.000 0.441 103 A N 4.899 127.903 122.820 0.307 0.000 2.263 103 A HA 0.482 4.802 4.320 -0.000 0.000 0.318 103 A C 0.735 178.304 177.584 -0.025 0.000 1.111 103 A CA -0.590 51.455 52.037 0.012 0.000 0.901 103 A CB 0.550 19.467 19.000 -0.139 0.000 1.280 103 A HN 0.732 nan 8.150 nan 0.000 0.503 104 N N -0.386 118.286 118.700 -0.046 0.000 2.270 104 N HA -0.127 4.613 4.740 -0.000 0.000 0.181 104 N C 1.525 177.006 175.510 -0.048 0.000 1.016 104 N CA 1.304 54.339 53.050 -0.025 0.000 0.870 104 N CB -0.153 38.326 38.487 -0.013 0.000 0.979 104 N HN 0.391 nan 8.380 nan 0.000 0.431 105 V N 1.388 121.225 119.914 -0.129 0.000 3.078 105 V HA -0.162 3.958 4.120 -0.000 0.000 0.265 105 V C 0.755 176.805 176.094 -0.072 0.000 1.122 105 V CA 1.423 63.657 62.300 -0.109 0.000 1.141 105 V CB -0.788 30.955 31.823 -0.132 0.000 0.735 105 V HN 0.348 nan 8.190 nan 0.000 0.498 106 H N -0.418 118.657 119.070 0.008 0.000 2.607 106 H HA 0.088 4.644 4.556 -0.000 0.000 0.288 106 H C 1.929 177.251 175.328 -0.010 0.000 1.058 106 H CA 0.413 56.453 56.048 -0.013 0.000 1.178 106 H CB 0.240 29.984 29.762 -0.030 0.000 1.340 106 H HN 0.561 nan 8.280 nan 0.000 0.591 107 E N 1.341 121.589 120.200 0.080 0.000 2.097 107 E HA -0.156 4.194 4.350 -0.000 0.000 0.196 107 E C -0.717 175.896 176.600 0.022 0.000 1.000 107 E CA 0.836 57.258 56.400 0.037 0.000 0.804 107 E CB -0.394 29.312 29.700 0.009 0.000 0.740 107 E HN 0.432 nan 8.360 nan 0.000 0.454 108 P HA -0.190 nan 4.420 nan 0.000 0.219 108 P C 1.415 178.712 177.300 -0.005 0.000 1.144 108 P CA 0.924 64.013 63.100 -0.019 0.000 0.806 108 P CB -0.096 31.626 31.700 0.037 0.000 0.771 109 L N -1.009 120.273 121.223 0.098 0.000 2.042 109 L HA -0.212 4.128 4.340 -0.000 0.000 0.210 109 L C 2.128 179.033 176.870 0.058 0.000 1.076 109 L CA 1.675 56.599 54.840 0.140 0.000 0.749 109 L CB -0.612 41.481 42.059 0.056 0.000 0.893 109 L HN -0.023 nan 8.230 nan 0.000 0.432 110 I N -0.165 120.408 120.570 0.004 0.000 2.113 110 I HA -0.410 3.760 4.170 -0.000 0.000 0.242 110 I C 2.153 178.242 176.117 -0.046 0.000 1.064 110 I CA 1.792 63.083 61.300 -0.016 0.000 1.320 110 I CB -0.626 37.361 38.000 -0.022 0.000 1.028 110 I HN 0.324 nan 8.210 nan 0.000 0.406 111 D N -0.159 120.167 120.400 -0.122 0.000 2.144 111 D HA -0.181 4.459 4.640 -0.000 0.000 0.199 111 D C 2.108 178.321 176.300 -0.145 0.000 0.984 111 D CA 1.276 55.178 54.000 -0.164 0.000 0.834 111 D CB -0.423 40.227 40.800 -0.251 0.000 0.955 111 D HN 0.449 nan 8.370 nan 0.000 0.465 112 H N 0.167 119.227 119.070 -0.017 0.000 2.456 112 H HA -0.011 4.545 4.556 0.000 0.000 0.296 112 H C 2.339 177.662 175.328 -0.007 0.000 1.079 112 H CA 0.484 56.523 56.048 -0.015 0.000 1.322 112 H CB 0.123 29.871 29.762 -0.025 0.000 1.388 112 H HN 0.276 nan 8.280 nan 0.000 0.538 113 I N 0.644 121.269 120.570 0.091 0.000 2.235 113 I HA -0.191 3.979 4.170 -0.000 0.000 0.241 113 I C 2.307 178.444 176.117 0.033 0.000 1.085 113 I CA 0.837 62.171 61.300 0.056 0.000 1.378 113 I CB -0.110 37.912 38.000 0.036 0.000 1.076 113 I HN 0.068 nan 8.210 nan 0.000 0.415 114 K N 0.860 121.268 120.400 0.013 0.000 2.103 114 K HA -0.146 4.174 4.320 -0.000 0.000 0.207 114 K C 1.209 177.815 176.600 0.010 0.000 1.048 114 K CA 1.256 57.545 56.287 0.004 0.000 0.930 114 K CB -0.226 32.267 32.500 -0.013 0.000 0.716 114 K HN 0.309 nan 8.250 nan 0.000 0.444 115 N N -0.221 118.488 118.700 0.016 0.000 2.314 115 N HA 0.024 4.764 4.740 -0.000 0.000 0.200 115 N C 0.722 176.254 175.510 0.038 0.000 1.135 115 N CA 0.838 53.902 53.050 0.023 0.000 0.835 115 N CB 1.072 39.573 38.487 0.023 0.000 0.989 115 N HN 0.376 nan 8.380 nan 0.000 0.478 116 G N 0.136 108.961 108.800 0.041 0.000 2.168 116 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.263 116 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.263 116 G C 1.052 175.982 174.900 0.049 0.000 0.977 116 G CA 0.609 45.734 45.100 0.041 0.000 0.659 116 G HN 0.252 nan 8.290 nan 0.000 0.533 117 V N -0.661 119.295 119.914 0.070 0.000 2.358 117 V HA 0.013 4.133 4.120 -0.000 0.000 0.246 117 V C 1.600 177.720 176.094 0.042 0.000 1.047 117 V CA 1.893 64.229 62.300 0.061 0.000 1.035 117 V CB -0.000 31.880 31.823 0.095 0.000 0.658 117 V HN 0.357 nan 8.190 nan 0.000 0.452 118 V N 0.606 120.554 119.914 0.057 0.000 2.448 118 V HA 0.387 4.507 4.120 -0.000 0.000 0.295 118 V C 0.841 176.963 176.094 0.046 0.000 1.025 118 V CA 0.442 62.770 62.300 0.047 0.000 0.859 118 V CB 1.323 33.174 31.823 0.047 0.000 0.988 118 V HN 0.514 nan 8.190 nan 0.000 0.431 119 T N 0.042 114.622 114.554 0.043 0.000 2.975 119 T HA 0.313 4.663 4.350 -0.000 0.000 0.257 119 T C 0.369 175.094 174.700 0.041 0.000 1.003 119 T CA -0.104 62.021 62.100 0.041 0.000 0.932 119 T CB 0.072 68.965 68.868 0.040 0.000 1.087 119 T HN 0.519 nan 8.240 nan 0.000 0.512 120 N N 0.147 118.873 118.700 0.043 0.000 2.324 120 N HA 0.686 5.426 4.740 -0.000 0.000 0.285 120 N C -1.850 173.684 175.510 0.040 0.000 1.076 120 N CA -0.592 52.483 53.050 0.042 0.000 0.864 120 N CB 2.291 40.807 38.487 0.049 0.000 1.632 120 N HN 0.206 nan 8.380 nan 0.000 0.478 121 I N 0.244 120.831 120.570 0.029 0.000 2.647 121 I HA 0.568 4.738 4.170 -0.000 0.000 0.295 121 I C -0.631 175.494 176.117 0.013 0.000 1.078 121 I CA -0.667 60.647 61.300 0.023 0.000 1.048 121 I CB 2.461 40.466 38.000 0.010 0.000 1.239 121 I HN 0.336 nan 8.210 nan 0.000 0.421 122 T N 3.576 118.140 114.554 0.016 0.000 2.971 122 T HA 0.765 5.115 4.350 -0.000 0.000 0.304 122 T C -0.871 173.827 174.700 -0.004 0.000 1.038 122 T CA -0.214 61.888 62.100 0.003 0.000 1.007 122 T CB 1.106 69.983 68.868 0.015 0.000 1.055 122 T HN 0.973 nan 8.240 nan 0.000 0.451 123 S N 2.186 117.868 115.700 -0.031 0.000 2.654 123 S HA 0.405 4.875 4.470 -0.000 0.000 0.267 123 S C 0.913 175.460 174.600 -0.088 0.000 1.151 123 S CA 0.188 58.358 58.200 -0.050 0.000 0.873 123 S CB 0.612 63.779 63.200 -0.056 0.000 1.181 123 S HN 0.691 nan 8.310 nan 0.000 0.489 124 S N -0.167 115.454 115.700 -0.132 0.000 2.362 124 S HA 0.453 4.923 4.470 -0.000 0.000 0.221 124 S C 0.884 175.396 174.600 -0.146 0.000 1.032 124 S CA 1.241 59.332 58.200 -0.182 0.000 0.973 124 S CB -0.922 62.122 63.200 -0.260 0.000 0.849 124 S HN 1.563 nan 8.310 nan 0.000 0.465 125 G N -0.729 107.992 108.800 -0.132 0.000 2.727 125 G HA2 0.589 4.549 3.960 -0.000 0.000 0.289 125 G HA3 0.589 4.549 3.960 -0.000 0.000 0.289 125 G C -0.427 174.439 174.900 -0.058 0.000 1.418 125 G CA -0.559 44.489 45.100 -0.086 0.000 0.818 125 G HN 0.289 nan 8.290 nan 0.000 0.486 126 L N -0.825 120.378 121.223 -0.032 0.000 2.948 126 L HA 0.375 4.715 4.340 -0.000 0.000 0.259 126 L C 0.896 177.771 176.870 0.007 0.000 1.136 126 L CA -0.469 54.365 54.840 -0.009 0.000 0.959 126 L CB 0.112 42.163 42.059 -0.014 0.000 1.370 126 L HN 0.447 nan 8.230 nan 0.000 0.552 127 R N 0.750 121.250 120.500 0.000 0.000 3.847 127 R HA -0.184 4.156 4.340 -0.000 0.000 0.489 127 R C 0.392 176.695 176.300 0.005 0.000 0.241 127 R CA 1.058 57.163 56.100 0.008 0.000 1.532 127 R CB -1.223 29.088 30.300 0.018 0.000 1.049 127 R HN 0.108 nan 8.270 nan 0.000 0.543 128 D N 1.472 121.876 120.400 0.007 0.000 2.182 128 D HA -0.183 4.457 4.640 -0.000 0.000 0.193 128 D C 1.734 178.035 176.300 0.001 0.000 0.999 128 D CA 2.236 56.237 54.000 0.002 0.000 0.850 128 D CB -0.075 40.727 40.800 0.004 0.000 0.994 128 D HN 0.389 nan 8.370 nan 0.000 0.450 129 K N 0.539 120.941 120.400 0.004 0.000 1.978 129 K HA -0.103 4.217 4.320 -0.000 0.000 0.214 129 K C 2.423 179.026 176.600 0.005 0.000 1.049 129 K CA 0.977 57.266 56.287 0.003 0.000 0.939 129 K CB -0.692 31.811 32.500 0.005 0.000 0.721 129 K HN 0.003 nan 8.250 nan 0.000 0.441 130 V N 1.317 121.240 119.914 0.016 0.000 2.332 130 V HA -0.206 3.914 4.120 -0.000 0.000 0.248 130 V C 2.499 178.595 176.094 0.004 0.000 1.055 130 V CA 2.233 64.543 62.300 0.016 0.000 1.038 130 V CB -1.175 30.666 31.823 0.030 0.000 0.651 130 V HN 0.587 nan 8.190 nan 0.000 0.450 131 G N -0.530 108.270 108.800 0.001 0.000 2.422 131 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.218 131 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.218 131 G C 1.766 176.659 174.900 -0.011 0.000 1.146 131 G CA 1.097 46.192 45.100 -0.008 0.000 0.769 131 G HN 0.616 nan 8.290 nan 0.000 0.547 132 A N 1.371 124.185 122.820 -0.011 0.000 1.865 132 A HA 0.205 4.525 4.320 -0.000 0.000 0.217 132 A C 2.870 180.445 177.584 -0.016 0.000 1.191 132 A CA 2.533 54.560 52.037 -0.016 0.000 0.623 132 A CB -1.067 17.924 19.000 -0.015 0.000 0.826 132 A HN 0.852 nan 8.150 nan 0.000 0.444 133 A N 0.159 122.972 122.820 -0.011 0.000 1.849 133 A HA -0.161 4.159 4.320 -0.000 0.000 0.217 133 A C 2.007 179.586 177.584 -0.009 0.000 1.202 133 A CA 1.867 53.898 52.037 -0.010 0.000 0.629 133 A CB -0.729 18.267 19.000 -0.006 0.000 0.834 133 A HN 0.427 nan 8.150 nan 0.000 0.447 134 I N 0.080 120.646 120.570 -0.007 0.000 2.315 134 I HA -0.196 3.974 4.170 -0.000 0.000 0.251 134 I C 2.537 178.649 176.117 -0.009 0.000 1.125 134 I CA 1.909 63.205 61.300 -0.007 0.000 1.392 134 I CB -1.392 36.603 38.000 -0.009 0.000 1.065 134 I HN 0.324 nan 8.210 nan 0.000 0.424 135 S N 0.157 115.849 115.700 -0.013 0.000 2.481 135 S HA -0.146 4.324 4.470 -0.000 0.000 0.231 135 S C 1.571 176.158 174.600 -0.022 0.000 0.996 135 S CA 0.876 59.066 58.200 -0.017 0.000 0.942 135 S CB -0.179 63.005 63.200 -0.027 0.000 0.768 135 S HN 0.689 nan 8.310 nan 0.000 0.520 136 E N -0.464 119.724 120.200 -0.019 0.000 2.463 136 E HA 0.335 4.685 4.350 -0.000 0.000 0.193 136 E C 0.968 177.563 176.600 -0.008 0.000 1.041 136 E CA 0.533 56.922 56.400 -0.019 0.000 0.879 136 E CB -0.056 29.631 29.700 -0.021 0.000 0.997 136 E HN 0.323 nan 8.360 nan 0.000 0.478 137 G N 1.301 110.100 108.800 -0.002 0.000 2.141 137 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.231 137 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.231 137 G C 0.343 175.247 174.900 0.007 0.000 0.984 137 G CA 0.032 45.135 45.100 0.007 0.000 0.660 137 G HN 0.217 nan 8.290 nan 0.000 0.525 141 N N 1.752 120.481 118.700 0.049 0.000 2.515 141 N HA 0.315 5.055 4.740 -0.000 0.000 0.279 141 N C -2.710 172.820 175.510 0.034 0.000 1.164 141 N CA -1.430 51.655 53.050 0.059 0.000 0.982 141 N CB 1.281 39.803 38.487 0.060 0.000 1.170 141 N HN -0.015 nan 8.380 nan 0.000 0.474 142 P HA 0.110 nan 4.420 nan 0.000 0.279 142 P C -0.827 176.444 177.300 -0.048 0.000 1.239 142 P CA -0.340 62.733 63.100 -0.046 0.000 0.789 142 P CB 0.840 32.447 31.700 -0.154 0.000 0.933 143 V N 4.636 124.518 119.914 -0.054 0.000 2.572 143 V HA 0.047 4.167 4.120 -0.000 0.000 0.291 143 V C 0.633 176.680 176.094 -0.078 0.000 1.039 143 V CA 0.057 62.329 62.300 -0.046 0.000 1.055 143 V CB 0.092 31.890 31.823 -0.042 0.000 0.969 143 V HN 0.386 nan 8.190 nan 0.000 0.482 144 I N 6.364 126.899 120.570 -0.058 0.000 2.301 144 I HA 0.363 4.533 4.170 -0.000 0.000 0.292 144 I C 0.150 176.221 176.117 -0.076 0.000 1.046 144 I CA -0.052 61.200 61.300 -0.081 0.000 1.282 144 I CB 0.851 38.837 38.000 -0.023 0.000 1.409 144 I HN 0.448 nan 8.210 nan 0.000 0.484 145 I N 7.444 127.951 120.570 -0.105 0.000 2.353 145 I HA 0.360 4.530 4.170 -0.000 0.000 0.293 145 I C 0.366 176.425 176.117 -0.096 0.000 0.992 145 I CA -0.437 60.806 61.300 -0.095 0.000 1.268 145 I CB 0.871 38.811 38.000 -0.100 0.000 1.387 145 I HN 0.457 nan 8.210 nan 0.000 0.478 146 R N 3.704 124.151 120.500 -0.088 0.000 2.795 146 R HA 0.464 4.804 4.340 -0.000 0.000 0.275 146 R C -0.509 175.722 176.300 -0.115 0.000 0.981 146 R CA -0.787 55.260 56.100 -0.089 0.000 0.917 146 R CB 2.221 32.487 30.300 -0.057 0.000 1.202 146 R HN 0.734 nan 8.270 nan 0.000 0.469 147 S N 0.186 115.806 115.700 -0.133 0.000 2.608 147 S HA 0.067 4.537 4.470 -0.000 0.000 0.261 147 S C 0.985 175.536 174.600 -0.082 0.000 1.314 147 S CA -0.509 57.591 58.200 -0.165 0.000 0.992 147 S CB 0.539 63.642 63.200 -0.162 0.000 0.935 147 S HN 0.601 nan 8.310 nan 0.000 0.564 148 H N 1.357 120.447 119.070 0.033 0.000 2.352 148 H HA -0.039 4.517 4.556 0.000 0.000 0.299 148 H C 2.322 177.709 175.328 0.099 0.000 1.097 148 H CA 1.783 57.896 56.048 0.108 0.000 1.311 148 H CB -1.105 28.852 29.762 0.324 0.000 1.377 148 H HN 0.835 nan 8.280 nan 0.000 0.504 149 G N -0.098 108.783 108.800 0.135 0.000 2.402 149 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.216 149 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.216 149 G C 2.090 176.975 174.900 -0.024 0.000 1.162 149 G CA 0.767 45.884 45.100 0.028 0.000 0.777 149 G HN 0.528 nan 8.290 nan 0.000 0.539 150 G N 0.419 109.177 108.800 -0.069 0.000 2.440 150 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.218 150 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.218 150 G C 1.788 176.660 174.900 -0.047 0.000 1.154 150 G CA 1.082 46.129 45.100 -0.090 0.000 0.767 150 G HN 0.479 nan 8.290 nan 0.000 0.552 151 R N 0.518 121.016 120.500 -0.004 0.000 2.075 151 R HA 0.058 4.398 4.340 -0.000 0.000 0.232 151 R C 2.849 179.152 176.300 0.004 0.000 1.126 151 R CA 1.480 57.588 56.100 0.013 0.000 0.963 151 R CB -0.402 29.934 30.300 0.060 0.000 0.858 151 R HN 0.273 nan 8.270 nan 0.000 0.435 152 A N 1.423 124.265 122.820 0.037 0.000 1.902 152 A HA -0.175 4.145 4.320 -0.000 0.000 0.217 152 A C 2.235 179.774 177.584 -0.075 0.000 1.181 152 A CA 1.320 53.368 52.037 0.019 0.000 0.623 152 A CB -0.649 18.404 19.000 0.089 0.000 0.818 152 A HN 0.368 nan 8.150 nan 0.000 0.443 153 R N -0.168 120.284 120.500 -0.080 0.000 2.070 153 R HA -0.137 4.203 4.340 -0.000 0.000 0.233 153 R C 2.342 178.530 176.300 -0.187 0.000 1.137 153 R CA 1.656 57.670 56.100 -0.142 0.000 0.945 153 R CB -0.567 29.653 30.300 -0.132 0.000 0.845 153 R HN 0.419 nan 8.270 nan 0.000 0.430 154 A N 1.496 124.237 122.820 -0.130 0.000 1.883 154 A HA -0.175 4.145 4.320 -0.000 0.000 0.217 154 A C 2.289 179.781 177.584 -0.153 0.000 1.186 154 A CA 1.740 53.707 52.037 -0.116 0.000 0.624 154 A CB -0.634 18.332 19.000 -0.057 0.000 0.822 154 A HN 0.402 nan 8.150 nan 0.000 0.444 155 I N -0.422 120.043 120.570 -0.174 0.000 2.226 155 I HA -0.281 3.889 4.170 -0.000 0.000 0.245 155 I C 2.892 178.729 176.117 -0.467 0.000 1.100 155 I CA 1.143 62.291 61.300 -0.253 0.000 1.374 155 I CB -0.355 37.518 38.000 -0.213 0.000 1.057 155 I HN 0.378 nan 8.210 nan 0.000 0.413 156 A N 0.096 122.590 122.820 -0.543 0.000 1.968 156 A HA -0.118 4.202 4.320 -0.000 0.000 0.217 156 A C 2.272 179.684 177.584 -0.287 0.000 1.169 156 A CA 1.799 53.473 52.037 -0.605 0.000 0.638 156 A CB -0.796 17.975 19.000 -0.382 0.000 0.812 156 A HN 0.360 nan 8.150 nan 0.000 0.446 157 T N -0.746 113.611 114.554 -0.328 0.000 3.085 157 T HA 0.038 4.388 4.350 -0.000 0.000 0.263 157 T C 0.658 175.290 174.700 -0.114 0.000 1.127 157 T CA 0.999 62.906 62.100 -0.321 0.000 1.103 157 T CB -0.204 68.448 68.868 -0.359 0.000 0.921 157 T HN 0.556 nan 8.240 nan 0.000 0.510 158 D N 1.279 121.627 120.400 -0.087 0.000 3.077 158 D HA -0.135 4.505 4.640 -0.000 0.000 0.212 158 D C 0.167 176.476 176.300 0.015 0.000 1.125 158 D CA 1.109 55.122 54.000 0.021 0.000 0.970 158 D CB -1.310 39.546 40.800 0.092 0.000 1.110 158 D HN 0.613 nan 8.370 nan 0.000 0.419 159 D N 0.341 120.721 120.400 -0.033 0.000 2.332 159 D HA 0.140 4.780 4.640 -0.000 0.000 0.244 159 D C 1.157 177.456 176.300 -0.001 0.000 1.136 159 D CA -0.009 53.977 54.000 -0.023 0.000 0.884 159 D CB -0.081 40.691 40.800 -0.046 0.000 0.906 159 D HN 0.602 nan 8.370 nan 0.000 0.520 160 I N -1.049 119.532 120.570 0.018 0.000 2.785 160 I HA 0.280 4.450 4.170 -0.000 0.000 0.293 160 I C -2.232 173.935 176.117 0.083 0.000 1.446 160 I CA -0.744 60.579 61.300 0.039 0.000 1.028 160 I CB 2.229 40.234 38.000 0.009 0.000 1.349 160 I HN -0.036 nan 8.210 nan 0.000 0.438 161 H N 7.668 126.734 119.070 -0.006 0.000 2.934 161 H HA 0.479 5.035 4.556 -0.000 0.000 0.340 161 H C -1.410 173.920 175.328 0.004 0.000 1.008 161 H CA -0.452 55.597 56.048 0.002 0.000 1.317 161 H CB 2.041 31.806 29.762 0.006 0.000 1.670 161 H HN 0.498 nan 8.280 nan 0.000 0.516 162 I N 4.851 125.323 120.570 -0.162 0.000 2.396 162 I HA -0.027 4.143 4.170 -0.000 0.000 0.289 162 I C 1.096 177.198 176.117 -0.024 0.000 1.056 162 I CA -0.149 61.105 61.300 -0.077 0.000 1.365 162 I CB 0.873 38.806 38.000 -0.113 0.000 1.407 162 I HN 0.590 nan 8.210 nan 0.000 0.509 163 D N 4.889 125.299 120.400 0.018 0.000 2.110 163 D HA 0.027 4.667 4.640 -0.000 0.000 0.202 163 D C 0.271 176.531 176.300 -0.067 0.000 0.975 163 D CA 1.556 55.571 54.000 0.024 0.000 0.839 163 D CB 0.539 41.359 40.800 0.033 0.000 0.996 163 D HN 0.211 nan 8.370 nan 0.000 0.464 164 V N 0.491 120.317 119.914 -0.148 0.000 2.623 164 V HA 0.564 4.684 4.120 -0.000 0.000 0.304 164 V C -0.699 175.101 176.094 -0.490 0.000 1.054 164 V CA -1.029 61.067 62.300 -0.340 0.000 0.882 164 V CB 1.892 33.455 31.823 -0.433 0.000 1.002 164 V HN 0.113 nan 8.190 nan 0.000 0.424 165 A N 4.555 127.073 122.820 -0.504 0.000 2.271 165 A HA 0.862 5.182 4.320 -0.000 0.000 0.317 165 A C -1.013 176.251 177.584 -0.533 0.000 1.245 165 A CA -0.273 51.502 52.037 -0.436 0.000 0.857 165 A CB 0.248 19.121 19.000 -0.212 0.000 1.175 165 A HN 0.636 nan 8.150 nan 0.000 0.512 166 F N 3.278 123.040 119.950 -0.313 0.000 2.335 166 F HA 0.411 4.938 4.527 0.000 0.000 0.365 166 F C 0.015 175.816 175.800 0.002 0.000 1.122 166 F CA -0.221 57.703 58.000 -0.127 0.000 1.151 166 F CB 0.901 39.841 39.000 -0.101 0.000 1.282 166 F HN 0.345 nan 8.300 nan 0.000 0.513 167 L N 3.076 124.423 121.223 0.208 0.000 2.307 167 L HA 0.642 4.982 4.340 -0.000 0.000 0.284 167 L C 0.661 177.736 176.870 0.341 0.000 1.023 167 L CA -0.946 54.067 54.840 0.288 0.000 0.810 167 L CB 1.528 43.742 42.059 0.258 0.000 1.231 167 L HN 0.634 nan 8.230 nan 0.000 0.423 168 G N 1.943 111.009 108.800 0.444 0.000 2.372 168 G HA2 0.610 4.570 3.960 -0.000 0.000 0.283 168 G HA3 0.610 4.570 3.960 -0.000 0.000 0.283 168 G C -0.685 174.545 174.900 0.551 0.000 1.177 168 G CA -0.221 45.184 45.100 0.509 0.000 0.842 168 G HN 0.743 nan 8.290 nan 0.000 0.503 169 A N 4.420 127.461 122.820 0.369 0.000 2.375 169 A HA 0.761 5.081 4.320 -0.000 0.000 0.295 169 A C -1.552 176.173 177.584 0.234 0.000 1.066 169 A CA -1.399 50.784 52.037 0.243 0.000 0.722 169 A CB 2.216 21.294 19.000 0.131 0.000 1.206 169 A HN 0.433 nan 8.150 nan 0.000 0.435 170 P HA -0.076 nan 4.420 nan 0.000 0.226 170 P C 0.334 177.691 177.300 0.094 0.000 1.146 170 P CA 1.553 64.767 63.100 0.190 0.000 0.773 170 P CB 0.069 31.885 31.700 0.194 0.000 0.772 171 S N -2.728 113.014 115.700 0.071 0.000 2.537 171 S HA 0.623 5.093 4.470 -0.000 0.000 0.271 171 S C -0.934 173.689 174.600 0.038 0.000 1.148 171 S CA -0.688 57.538 58.200 0.042 0.000 0.868 171 S CB 1.990 65.199 63.200 0.015 0.000 1.115 171 S HN 0.056 nan 8.310 nan 0.000 0.461 172 S N 0.778 116.503 115.700 0.042 0.000 2.580 172 S HA 0.525 4.995 4.470 -0.000 0.000 0.281 172 S C -1.904 172.735 174.600 0.064 0.000 1.129 172 S CA -0.532 57.697 58.200 0.048 0.000 0.862 172 S CB 0.947 64.188 63.200 0.069 0.000 1.090 172 S HN 1.051 nan 8.310 nan 0.000 0.451 173 D N 2.143 122.591 120.400 0.080 0.000 2.506 173 D HA 0.617 5.257 4.640 -0.000 0.000 0.272 173 D C 0.900 177.308 176.300 0.180 0.000 1.214 173 D CA -0.218 53.860 54.000 0.131 0.000 1.067 173 D CB 0.336 41.236 40.800 0.166 0.000 1.117 173 D HN 0.634 nan 8.370 nan 0.000 0.578 174 A N -1.265 121.685 122.820 0.216 0.000 2.310 174 A HA 0.077 4.397 4.320 -0.000 0.000 0.230 174 A C 0.135 177.917 177.584 0.331 0.000 1.294 174 A CA 0.080 52.245 52.037 0.212 0.000 0.898 174 A CB -1.017 18.078 19.000 0.158 0.000 0.917 174 A HN 0.538 nan 8.150 nan 0.000 0.491 175 Y N -1.962 118.426 120.300 0.148 0.000 2.540 175 Y HA 0.366 4.916 4.550 -0.000 0.000 0.257 175 Y C 1.541 177.499 175.900 0.095 0.000 1.090 175 Y CA 0.032 58.209 58.100 0.129 0.000 1.242 175 Y CB 0.993 39.588 38.460 0.225 0.000 1.325 175 Y HN 0.451 nan 8.280 nan 0.000 0.544 176 G N 0.001 108.898 108.800 0.162 0.000 2.284 176 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.201 176 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.201 176 G C -0.093 174.833 174.900 0.044 0.000 0.998 176 G CA -0.300 44.834 45.100 0.057 0.000 0.651 176 G HN 0.178 nan 8.290 nan 0.000 0.489 177 N N 2.011 120.748 118.700 0.061 0.000 2.438 177 N HA 0.506 5.246 4.740 -0.000 0.000 0.267 177 N C 0.263 175.763 175.510 -0.016 0.000 1.222 177 N CA 1.208 54.253 53.050 -0.008 0.000 0.930 177 N CB 1.311 39.756 38.487 -0.070 0.000 1.083 177 N HN 0.887 nan 8.380 nan 0.000 0.476 178 A N 2.715 125.517 122.820 -0.030 0.000 2.469 178 A HA 0.720 5.040 4.320 -0.000 0.000 0.299 178 A C -0.354 177.190 177.584 -0.066 0.000 1.098 178 A CA -0.814 51.206 52.037 -0.027 0.000 0.737 178 A CB 1.411 20.412 19.000 0.002 0.000 1.312 178 A HN 0.794 nan 8.150 nan 0.000 0.414 179 N N -1.473 117.185 118.700 -0.069 0.000 2.825 179 N HA 0.555 5.295 4.740 -0.000 0.000 0.253 179 N C 0.013 175.452 175.510 -0.117 0.000 1.426 179 N CA -0.093 52.886 53.050 -0.118 0.000 0.851 179 N CB 1.082 39.494 38.487 -0.125 0.000 1.470 179 N HN 0.645 nan 8.380 nan 0.000 0.517 180 G N -1.840 106.850 108.800 -0.183 0.000 3.575 180 G HA2 0.141 4.101 3.960 -0.000 0.000 0.273 180 G HA3 0.141 4.101 3.960 -0.000 0.000 0.273 180 G C 0.198 175.009 174.900 -0.149 0.000 1.053 180 G CA 0.390 45.378 45.100 -0.187 0.000 0.803 180 G HN 0.809 nan 8.290 nan 0.000 0.528 181 T N -2.812 111.664 114.554 -0.131 0.000 3.132 181 T HA 0.436 4.786 4.350 -0.000 0.000 0.274 181 T C 0.431 175.094 174.700 -0.061 0.000 1.011 181 T CA -0.523 61.509 62.100 -0.112 0.000 0.899 181 T CB 0.747 69.521 68.868 -0.156 0.000 1.089 181 T HN -0.022 nan 8.240 nan 0.000 0.543 182 R N 0.663 121.141 120.500 -0.037 0.000 2.604 182 R HA 0.790 5.130 4.340 -0.000 0.000 0.281 182 R C 0.070 176.377 176.300 0.013 0.000 1.020 182 R CA -0.177 55.914 56.100 -0.014 0.000 0.899 182 R CB 1.592 31.875 30.300 -0.028 0.000 1.205 182 R HN 0.484 nan 8.270 nan 0.000 0.450 183 G N 1.417 110.230 108.800 0.022 0.000 2.347 183 G HA2 -0.132 3.828 3.960 -0.000 0.000 0.477 183 G HA3 -0.132 3.828 3.960 -0.000 0.000 0.477 183 G C -0.053 174.866 174.900 0.032 0.000 1.349 183 G CA -0.215 44.904 45.100 0.032 0.000 1.000 183 G HN 0.535 nan 8.290 nan 0.000 0.605 184 K N -1.784 118.629 120.400 0.022 0.000 2.459 184 K HA 0.231 4.551 4.320 -0.000 0.000 0.193 184 K C 0.443 177.042 176.600 -0.002 0.000 1.030 184 K CA 1.218 57.509 56.287 0.006 0.000 1.026 184 K CB 0.319 32.817 32.500 -0.003 0.000 0.809 184 K HN 0.379 nan 8.250 nan 0.000 0.504 185 T N 2.139 116.705 114.554 0.019 0.000 3.542 185 T HA 0.083 4.433 4.350 -0.000 0.000 0.276 185 T C -0.478 174.330 174.700 0.180 0.000 1.412 185 T CA -0.647 61.463 62.100 0.017 0.000 1.664 185 T CB 0.944 69.734 68.868 -0.130 0.000 0.863 185 T HN 0.354 nan 8.240 nan 0.000 0.661 186 T N -1.140 113.515 114.554 0.168 0.000 2.788 186 T HA 0.371 4.721 4.350 -0.000 0.000 0.287 186 T C 1.339 176.157 174.700 0.196 0.000 1.007 186 T CA -0.284 61.920 62.100 0.173 0.000 1.005 186 T CB 0.999 69.926 68.868 0.098 0.000 1.012 186 T HN 0.687 nan 8.240 nan 0.000 0.530 187 C N -1.635 117.670 119.300 0.008 0.000 4.095 187 C HA 0.762 5.222 4.460 -0.000 0.000 0.327 187 C C 1.524 176.379 174.990 -0.226 0.000 1.811 187 C CA 0.063 59.008 59.018 -0.123 0.000 1.785 187 C CB -0.967 26.514 27.740 -0.432 0.000 3.120 187 C HN 1.661 nan 8.230 nan 0.000 0.621 188 G N 1.958 110.625 108.800 -0.220 0.000 2.552 188 G HA2 -0.144 3.816 3.960 -0.000 0.000 0.267 188 G HA3 -0.144 3.816 3.960 -0.000 0.000 0.267 188 G C 0.129 174.787 174.900 -0.403 0.000 1.174 188 G CA 0.477 45.411 45.100 -0.277 0.000 0.955 188 G HN 1.524 nan 8.290 nan 0.000 0.546 189 S N -0.339 115.094 115.700 -0.445 0.000 2.569 189 S HA 0.470 4.940 4.470 -0.000 0.000 0.274 189 S C 0.979 175.005 174.600 -0.956 0.000 1.353 189 S CA 0.672 58.542 58.200 -0.549 0.000 1.023 189 S CB 0.289 63.229 63.200 -0.434 0.000 0.876 189 S HN 1.000 nan 8.310 nan 0.000 0.540 190 L N 3.471 124.204 121.223 -0.816 0.000 3.347 190 L HA 0.309 4.649 4.340 -0.000 0.000 0.306 190 L C 1.865 178.500 176.870 -0.391 0.000 1.301 190 L CA -0.195 54.117 54.840 -0.879 0.000 0.985 190 L CB -0.156 41.580 42.059 -0.540 0.000 1.400 190 L HN 0.934 nan 8.230 nan 0.000 0.601 191 G N -0.065 108.512 108.800 -0.373 0.000 2.469 191 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.220 191 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.220 191 G C 1.072 175.861 174.900 -0.185 0.000 1.136 191 G CA 1.081 46.005 45.100 -0.293 0.000 0.759 191 G HN 0.310 nan 8.290 nan 0.000 0.562 192 Y N 1.162 121.534 120.300 0.120 0.000 2.286 192 Y HA 0.427 4.977 4.550 0.000 0.000 0.293 192 Y C 2.350 178.286 175.900 0.061 0.000 1.124 192 Y CA -0.528 57.575 58.100 0.004 0.000 1.178 192 Y CB -0.839 37.512 38.460 -0.182 0.000 1.010 192 Y HN 0.284 nan 8.280 nan 0.000 0.536 196 D N 2.401 122.876 120.400 0.124 0.000 2.092 196 D HA -0.080 4.560 4.640 -0.000 0.000 0.193 196 D C 2.124 178.436 176.300 0.021 0.000 0.994 196 D CA 2.064 56.112 54.000 0.080 0.000 0.828 196 D CB -0.098 40.743 40.800 0.069 0.000 0.963 196 D HN 0.504 nan 8.370 nan 0.000 0.450 197 A N 0.033 122.851 122.820 -0.004 0.000 2.178 197 A HA -0.166 4.154 4.320 -0.000 0.000 0.218 197 A C 1.946 179.471 177.584 -0.099 0.000 1.157 197 A CA 1.302 53.307 52.037 -0.053 0.000 0.689 197 A CB -0.425 18.546 19.000 -0.048 0.000 0.787 197 A HN 0.146 nan 8.150 nan 0.000 0.465 198 K N -2.220 118.104 120.400 -0.126 0.000 2.211 198 K HA 0.018 4.338 4.320 -0.000 0.000 0.201 198 K C 0.930 177.248 176.600 -0.469 0.000 1.052 198 K CA 0.884 56.984 56.287 -0.312 0.000 0.973 198 K CB -0.023 32.243 32.500 -0.391 0.000 0.766 198 K HN 0.498 nan 8.250 nan 0.000 0.466 199 Y N -0.106 120.155 120.300 -0.065 0.000 2.444 199 Y HA 0.391 4.941 4.550 -0.000 0.000 0.252 199 Y C 0.565 176.351 175.900 -0.189 0.000 1.091 199 Y CA -0.329 57.708 58.100 -0.104 0.000 1.276 199 Y CB 0.524 38.924 38.460 -0.101 0.000 1.170 199 Y HN -0.019 nan 8.280 nan 0.000 0.517 200 A N 0.505 123.299 122.820 -0.043 0.000 2.425 200 A HA 0.084 4.404 4.320 -0.000 0.000 0.242 200 A C 0.800 178.333 177.584 -0.084 0.000 1.077 200 A CA -0.026 51.943 52.037 -0.113 0.000 0.781 200 A CB 0.193 19.128 19.000 -0.110 0.000 1.020 200 A HN 0.263 nan 8.150 nan 0.000 0.494 201 D N 0.053 120.425 120.400 -0.047 0.000 2.091 201 D HA -0.026 4.614 4.640 -0.000 0.000 0.199 201 D C 0.483 176.755 176.300 -0.047 0.000 0.980 201 D CA 1.503 55.510 54.000 0.013 0.000 0.831 201 D CB 0.127 40.979 40.800 0.087 0.000 0.987 201 D HN 0.655 nan 8.370 nan 0.000 0.460 202 Q N 0.056 119.808 119.800 -0.080 0.000 2.340 202 Q HA 0.522 4.862 4.340 -0.000 0.000 0.268 202 Q C -1.326 174.570 176.000 -0.173 0.000 1.031 202 Q CA -0.519 55.216 55.803 -0.113 0.000 0.804 202 Q CB 3.345 32.037 28.738 -0.078 0.000 1.286 202 Q HN -0.146 nan 8.270 nan 0.000 0.448 203 V N 2.897 122.714 119.914 -0.162 0.000 2.448 203 V HA 0.406 4.526 4.120 -0.000 0.000 0.295 203 V C -0.628 175.393 176.094 -0.120 0.000 1.025 203 V CA -0.658 61.544 62.300 -0.165 0.000 0.859 203 V CB 1.963 33.715 31.823 -0.118 0.000 0.988 203 V HN 0.502 nan 8.190 nan 0.000 0.431 204 V N 6.561 126.391 119.914 -0.141 0.000 2.326 204 V HA 0.467 4.587 4.120 -0.000 0.000 0.281 204 V C -0.245 175.903 176.094 0.089 0.000 1.015 204 V CA -0.518 61.790 62.300 0.014 0.000 0.823 204 V CB 1.474 33.312 31.823 0.025 0.000 1.009 204 V HN 0.809 nan 8.190 nan 0.000 0.436 205 I N 4.304 124.940 120.570 0.110 0.000 2.353 205 I HA 0.676 4.846 4.170 -0.000 0.000 0.293 205 I C -0.319 175.902 176.117 0.173 0.000 0.992 205 I CA -0.053 61.332 61.300 0.141 0.000 1.268 205 I CB 1.647 39.710 38.000 0.106 0.000 1.387 205 I HN 0.230 nan 8.210 nan 0.000 0.478 206 V N 5.689 125.725 119.914 0.204 0.000 2.328 206 V HA 0.426 4.546 4.120 -0.000 0.000 0.278 206 V C 0.478 176.672 176.094 0.168 0.000 1.021 206 V CA -0.299 62.112 62.300 0.185 0.000 0.838 206 V CB 0.587 32.531 31.823 0.201 0.000 0.999 206 V HN 0.951 nan 8.190 nan 0.000 0.447 207 T N 1.718 116.352 114.554 0.133 0.000 2.944 207 T HA 0.303 4.653 4.350 -0.000 0.000 0.284 207 T C 0.560 175.312 174.700 0.086 0.000 1.010 207 T CA -0.304 61.865 62.100 0.116 0.000 1.025 207 T CB 1.696 70.624 68.868 0.100 0.000 1.079 207 T HN 0.752 nan 8.240 nan 0.000 0.516 208 D N 0.553 120.995 120.400 0.070 0.000 2.388 208 D HA 0.129 4.769 4.640 -0.000 0.000 0.208 208 D C 0.370 176.694 176.300 0.039 0.000 1.035 208 D CA 0.596 54.620 54.000 0.040 0.000 0.875 208 D CB 0.530 41.334 40.800 0.007 0.000 0.984 208 D HN 0.696 nan 8.370 nan 0.000 0.508 209 T N -1.119 113.464 114.554 0.047 0.000 3.011 209 T HA 0.449 4.799 4.350 -0.000 0.000 0.303 209 T C -0.684 174.044 174.700 0.046 0.000 0.997 209 T CA -0.804 61.320 62.100 0.040 0.000 1.007 209 T CB 1.118 70.004 68.868 0.032 0.000 1.017 209 T HN -0.049 nan 8.240 nan 0.000 0.443 210 L N 4.274 125.525 121.223 0.046 0.000 2.265 210 L HA 0.677 5.017 4.340 -0.000 0.000 0.288 210 L C -0.610 176.286 176.870 0.044 0.000 1.058 210 L CA -0.736 54.136 54.840 0.053 0.000 0.809 210 L CB 1.036 43.130 42.059 0.058 0.000 1.179 210 L HN 0.620 nan 8.230 nan 0.000 0.429 211 V N 6.286 126.227 119.914 0.044 0.000 2.630 211 V HA 0.462 4.582 4.120 -0.000 0.000 0.305 211 V C -1.964 174.158 176.094 0.046 0.000 1.046 211 V CA -1.584 60.735 62.300 0.032 0.000 0.934 211 V CB 1.801 33.632 31.823 0.013 0.000 1.003 211 V HN 0.687 nan 8.190 nan 0.000 0.451 212 P HA 0.054 nan 4.420 nan 0.000 0.271 212 P C -1.047 176.300 177.300 0.077 0.000 1.218 212 P CA -0.136 63.003 63.100 0.065 0.000 0.780 212 P CB 0.460 32.187 31.700 0.045 0.000 0.901 213 Y N 4.901 125.195 120.300 -0.010 0.000 2.425 213 Y HA 0.233 4.783 4.550 -0.000 0.000 0.331 213 Y C -1.526 174.358 175.900 -0.026 0.000 1.157 213 Y CA -1.096 56.992 58.100 -0.019 0.000 1.372 213 Y CB 0.030 38.458 38.460 -0.053 0.000 1.253 213 Y HN 0.323 nan 8.280 nan 0.000 0.536 214 P HA 0.221 nan 4.420 nan 0.000 0.296 214 P C -1.503 175.568 177.300 -0.382 0.000 1.301 214 P CA -0.689 61.861 63.100 -0.917 0.000 0.862 214 P CB 1.440 32.591 31.700 -0.915 0.000 1.046 215 N N 1.604 120.119 118.700 -0.309 0.000 2.529 215 N HA 0.388 5.128 4.740 -0.000 0.000 0.278 215 N C -0.804 174.614 175.510 -0.152 0.000 1.146 215 N CA 0.177 53.133 53.050 -0.157 0.000 0.980 215 N CB 0.458 38.890 38.487 -0.092 0.000 1.124 215 N HN 0.566 nan 8.380 nan 0.000 0.458 216 T N 0.058 114.544 114.554 -0.113 0.000 2.932 216 T HA 0.532 4.882 4.350 -0.000 0.000 0.318 216 T C -2.836 171.809 174.700 -0.092 0.000 1.265 216 T CA -1.321 60.715 62.100 -0.105 0.000 1.036 216 T CB 1.002 69.810 68.868 -0.100 0.000 1.209 216 T HN 0.257 nan 8.240 nan 0.000 0.484 217 P HA 0.471 nan 4.420 nan 0.000 0.272 217 P C -0.745 176.483 177.300 -0.120 0.000 1.254 217 P CA -0.607 62.423 63.100 -0.117 0.000 0.795 217 P CB 0.365 31.978 31.700 -0.145 0.000 1.022 218 I N 0.473 120.969 120.570 -0.124 0.000 2.420 218 I HA 0.136 4.306 4.170 -0.000 0.000 0.282 218 I C 0.667 176.707 176.117 -0.128 0.000 1.019 218 I CA -0.027 61.205 61.300 -0.114 0.000 1.130 218 I CB 1.362 39.304 38.000 -0.097 0.000 1.262 218 I HN 0.203 nan 8.210 nan 0.000 0.454 219 S N 5.494 121.110 115.700 -0.139 0.000 2.456 219 S HA 0.344 4.814 4.470 -0.000 0.000 0.224 219 S C 0.663 175.189 174.600 -0.123 0.000 1.035 219 S CA 0.570 58.675 58.200 -0.158 0.000 0.940 219 S CB 0.262 63.342 63.200 -0.200 0.000 0.799 219 S HN 0.449 nan 8.310 nan 0.000 0.508 220 I N 3.214 123.725 120.570 -0.098 0.000 2.468 220 I HA 0.324 4.494 4.170 -0.000 0.000 0.285 220 I C -2.703 173.378 176.117 -0.060 0.000 1.039 220 I CA -2.444 58.811 61.300 -0.075 0.000 1.074 220 I CB 2.683 40.647 38.000 -0.060 0.000 1.228 220 I HN -0.052 nan 8.210 nan 0.000 0.436 221 P HA 0.091 nan 4.420 nan 0.000 0.276 221 P C 0.042 177.321 177.300 -0.034 0.000 1.244 221 P CA -0.316 62.760 63.100 -0.041 0.000 0.801 221 P CB 0.826 32.500 31.700 -0.043 0.000 1.006 222 Q N 0.902 120.704 119.800 0.002 0.000 2.234 222 Q HA -0.128 4.212 4.340 -0.000 0.000 0.206 222 Q C 1.203 177.146 176.000 -0.094 0.000 0.980 222 Q CA 2.112 57.907 55.803 -0.014 0.000 0.869 222 Q CB -1.496 27.324 28.738 0.137 0.000 0.912 222 Q HN 0.515 nan 8.270 nan 0.000 0.436 223 T N -2.160 112.357 114.554 -0.060 0.000 3.113 223 T HA -0.043 4.307 4.350 -0.000 0.000 0.263 223 T C 0.583 175.222 174.700 -0.102 0.000 1.143 223 T CA 0.955 63.006 62.100 -0.081 0.000 1.090 223 T CB 0.074 68.912 68.868 -0.051 0.000 0.922 223 T HN 0.203 nan 8.240 nan 0.000 0.521 224 D N 0.410 120.748 120.400 -0.102 0.000 2.433 224 D HA 0.265 4.905 4.640 -0.000 0.000 0.211 224 D C -0.038 176.191 176.300 -0.118 0.000 1.114 224 D CA -0.030 53.905 54.000 -0.109 0.000 0.837 224 D CB 0.812 41.553 40.800 -0.100 0.000 0.984 224 D HN 0.301 nan 8.370 nan 0.000 0.505 225 V N 1.331 121.166 119.914 -0.132 0.000 2.547 225 V HA 0.239 4.359 4.120 -0.000 0.000 0.299 225 V C 0.754 176.714 176.094 -0.223 0.000 1.040 225 V CA -0.486 61.730 62.300 -0.140 0.000 0.913 225 V CB 2.669 34.436 31.823 -0.093 0.000 0.992 225 V HN -0.092 nan 8.190 nan 0.000 0.449 226 D N 1.291 121.538 120.400 -0.255 0.000 2.431 226 D HA 0.129 4.769 4.640 -0.000 0.000 0.235 226 D C -0.604 175.294 176.300 -0.670 0.000 0.980 226 D CA 1.212 54.913 54.000 -0.498 0.000 0.912 226 D CB 0.790 41.280 40.800 -0.517 0.000 1.056 226 D HN 0.502 nan 8.370 nan 0.000 0.494 227 Y N -0.243 120.027 120.300 -0.050 0.000 2.553 227 Y HA 0.457 5.007 4.550 -0.000 0.000 0.347 227 Y C -0.654 175.257 175.900 0.019 0.000 1.019 227 Y CA -0.976 57.118 58.100 -0.010 0.000 1.032 227 Y CB 1.689 40.154 38.460 0.007 0.000 1.284 227 Y HN -0.301 nan 8.280 nan 0.000 0.466 228 I N 2.287 122.993 120.570 0.226 0.000 2.498 228 I HA 0.581 4.751 4.170 -0.000 0.000 0.290 228 I C -1.032 175.176 176.117 0.153 0.000 1.032 228 I CA -0.780 60.617 61.300 0.162 0.000 1.073 228 I CB 2.010 40.090 38.000 0.134 0.000 1.251 228 I HN 0.349 nan 8.210 nan 0.000 0.426 229 V N 7.279 127.277 119.914 0.141 0.000 2.588 229 V HA 0.653 4.773 4.120 -0.000 0.000 0.304 229 V C -0.999 175.158 176.094 0.105 0.000 1.042 229 V CA -0.544 61.827 62.300 0.117 0.000 0.877 229 V CB 2.175 34.070 31.823 0.120 0.000 0.996 229 V HN 0.442 nan 8.190 nan 0.000 0.425 230 V N 7.275 127.240 119.914 0.085 0.000 2.472 230 V HA 0.690 4.810 4.120 -0.000 0.000 0.290 230 V C 0.056 176.188 176.094 0.062 0.000 1.037 230 V CA 0.090 62.434 62.300 0.073 0.000 0.908 230 V CB 1.609 33.470 31.823 0.063 0.000 0.985 230 V HN 0.975 nan 8.190 nan 0.000 0.454 231 V N 1.145 121.095 119.914 0.059 0.000 3.141 231 V HA 0.589 4.709 4.120 -0.000 0.000 0.312 231 V C 0.664 176.783 176.094 0.041 0.000 1.157 231 V CA -0.559 61.770 62.300 0.049 0.000 1.041 231 V CB 1.913 33.769 31.823 0.055 0.000 1.071 231 V HN 0.628 nan 8.190 nan 0.000 0.441 232 D N 1.085 121.505 120.400 0.033 0.000 2.144 232 D HA 0.183 4.823 4.640 -0.000 0.000 0.199 232 D C 0.531 176.856 176.300 0.041 0.000 0.984 232 D CA 1.998 56.016 54.000 0.030 0.000 0.834 232 D CB 0.188 40.999 40.800 0.018 0.000 0.955 232 D HN 1.234 nan 8.370 nan 0.000 0.465 233 A N -0.733 122.127 122.820 0.067 0.000 2.513 233 A HA 0.436 4.756 4.320 -0.000 0.000 0.296 233 A C 0.340 178.010 177.584 0.143 0.000 1.052 233 A CA -0.610 51.484 52.037 0.095 0.000 0.714 233 A CB 0.498 19.605 19.000 0.177 0.000 1.279 233 A HN 0.207 nan 8.150 nan 0.000 0.397 234 I N -0.248 120.298 120.570 -0.040 0.000 3.645 234 I HA 0.544 4.714 4.170 -0.000 0.000 0.300 234 I C 0.699 176.515 176.117 -0.500 0.000 1.260 234 I CA 0.378 61.601 61.300 -0.128 0.000 1.365 234 I CB 0.538 38.436 38.000 -0.171 0.000 1.077 234 I HN 0.629 nan 8.210 nan 0.000 0.439 235 G N 0.640 108.968 108.800 -0.787 0.000 2.690 235 G HA2 0.202 4.162 3.960 -0.000 0.000 0.291 235 G HA3 0.202 4.162 3.960 -0.000 0.000 0.291 235 G C -1.925 172.308 174.900 -1.111 0.000 1.403 235 G CA -0.420 43.932 45.100 -1.247 0.000 0.864 235 G HN 0.023 nan 8.290 nan 0.000 0.480 236 D N 0.911 120.680 120.400 -1.051 0.000 2.417 236 D HA 0.159 4.799 4.640 -0.000 0.000 0.250 236 D C -1.072 175.095 176.300 -0.221 0.000 1.166 236 D CA -1.194 52.548 54.000 -0.430 0.000 0.881 236 D CB 1.980 42.659 40.800 -0.202 0.000 1.164 236 D HN -0.095 nan 8.370 nan 0.000 0.467 237 P HA -0.231 nan 4.420 nan 0.000 0.205 237 P C 0.643 177.899 177.300 -0.074 0.000 1.046 237 P CA 1.749 64.803 63.100 -0.077 0.000 0.968 237 P CB 0.117 31.797 31.700 -0.034 0.000 0.753 238 E N -0.693 119.475 120.200 -0.053 0.000 2.515 238 E HA 0.015 4.365 4.350 -0.000 0.000 0.201 238 E C 1.906 178.483 176.600 -0.038 0.000 1.071 238 E CA 1.052 57.422 56.400 -0.050 0.000 0.880 238 E CB -1.714 27.967 29.700 -0.032 0.000 0.828 238 E HN 0.280 nan 8.360 nan 0.000 0.540 239 G N 0.376 109.147 108.800 -0.048 0.000 2.653 239 G HA2 -0.028 3.932 3.960 -0.000 0.000 0.212 239 G HA3 -0.028 3.932 3.960 -0.000 0.000 0.212 239 G C 1.046 175.947 174.900 0.003 0.000 1.138 239 G CA 0.776 45.856 45.100 -0.033 0.000 0.782 239 G HN 0.359 nan 8.290 nan 0.000 0.535 240 I N -2.527 118.044 120.570 0.002 0.000 4.724 240 I HA 0.339 4.509 4.170 -0.000 0.000 0.398 240 I C 1.592 177.710 176.117 0.001 0.000 1.074 240 I CA 0.311 61.641 61.300 0.050 0.000 1.395 240 I CB -0.064 38.007 38.000 0.119 0.000 2.372 240 I HN -0.057 nan 8.210 nan 0.000 0.746 241 A N 0.262 123.021 122.820 -0.103 0.000 2.345 241 A HA 0.318 4.638 4.320 -0.000 0.000 0.225 241 A C 1.409 178.849 177.584 -0.241 0.000 1.243 241 A CA 0.156 52.012 52.037 -0.300 0.000 0.875 241 A CB -0.172 18.691 19.000 -0.228 0.000 0.929 241 A HN 0.192 nan 8.150 nan 0.000 0.502 242 K N 0.210 120.561 120.400 -0.082 0.000 3.063 242 K HA 0.454 4.774 4.320 -0.000 0.000 0.353 242 K C 1.009 177.625 176.600 0.027 0.000 1.008 242 K CA 1.002 57.276 56.287 -0.023 0.000 1.228 242 K CB -0.532 31.975 32.500 0.012 0.000 1.165 242 K HN 0.220 nan 8.250 nan 0.000 0.495 243 G N -1.656 107.177 108.800 0.055 0.000 3.209 243 G HA2 0.638 4.598 3.960 -0.000 0.000 0.236 243 G HA3 0.638 4.598 3.960 -0.000 0.000 0.236 243 G C -1.398 173.546 174.900 0.074 0.000 1.329 243 G CA -0.374 44.773 45.100 0.077 0.000 1.015 243 G HN 0.672 nan 8.290 nan 0.000 0.571 244 A N -0.950 121.899 122.820 0.049 0.000 2.286 244 A HA 0.679 4.999 4.320 -0.000 0.000 0.286 244 A C 0.098 177.687 177.584 0.008 0.000 1.097 244 A CA -0.175 51.878 52.037 0.027 0.000 0.821 244 A CB 0.507 19.505 19.000 -0.003 0.000 1.076 244 A HN 0.529 nan 8.150 nan 0.000 0.490 245 T N 1.976 116.529 114.554 -0.002 0.000 2.753 245 T HA 0.399 4.749 4.350 -0.000 0.000 0.297 245 T C 0.390 175.041 174.700 -0.082 0.000 0.981 245 T CA -0.275 61.819 62.100 -0.011 0.000 0.956 245 T CB 0.372 69.256 68.868 0.027 0.000 0.936 245 T HN 0.675 nan 8.240 nan 0.000 0.463 246 R N 2.146 122.597 120.500 -0.082 0.000 2.801 246 R HA 0.252 4.592 4.340 -0.000 0.000 0.273 246 R C -0.395 175.844 176.300 -0.102 0.000 1.080 246 R CA -0.157 55.851 56.100 -0.153 0.000 1.197 246 R CB -0.033 30.233 30.300 -0.058 0.000 1.109 246 R HN 0.504 nan 8.270 nan 0.000 0.535 247 Y N -0.580 119.737 120.300 0.029 0.000 2.321 247 Y HA 0.045 4.595 4.550 -0.000 0.000 0.353 247 Y C 1.411 177.334 175.900 0.039 0.000 1.276 247 Y CA 0.657 58.778 58.100 0.036 0.000 1.545 247 Y CB -0.106 38.370 38.460 0.027 0.000 1.377 247 Y HN 0.546 nan 8.280 nan 0.000 0.650 248 T N 0.183 114.888 114.554 0.251 0.000 2.816 248 T HA 0.199 4.549 4.350 -0.000 0.000 0.282 248 T C 0.704 175.476 174.700 0.120 0.000 0.993 248 T CA -0.545 61.643 62.100 0.146 0.000 0.994 248 T CB 0.414 69.354 68.868 0.120 0.000 1.025 248 T HN 0.564 nan 8.240 nan 0.000 0.529 249 K N 1.352 121.802 120.400 0.083 0.000 2.464 249 K HA 0.120 4.439 4.320 -0.000 0.000 0.206 249 K C 0.434 177.064 176.600 0.050 0.000 1.186 249 K CA -0.145 56.181 56.287 0.064 0.000 0.990 249 K CB -0.286 32.245 32.500 0.052 0.000 1.003 249 K HN 0.536 nan 8.250 nan 0.000 0.562 250 N N 4.729 123.458 118.700 0.050 0.000 2.417 250 N HA -0.030 4.710 4.740 -0.000 0.000 0.272 250 N C -1.379 174.147 175.510 0.028 0.000 1.304 250 N CA -0.885 52.187 53.050 0.036 0.000 0.906 250 N CB 0.896 39.406 38.487 0.037 0.000 1.135 250 N HN -0.085 nan 8.380 nan 0.000 0.483 251 P HA -0.273 nan 4.420 nan 0.000 0.216 251 P C 0.908 178.196 177.300 -0.021 0.000 1.153 251 P CA 1.466 64.567 63.100 0.001 0.000 0.858 251 P CB 0.241 31.939 31.700 -0.002 0.000 0.789 252 K N 0.455 120.848 120.400 -0.011 0.000 2.026 252 K HA -0.176 4.144 4.320 -0.000 0.000 0.208 252 K C 2.206 178.793 176.600 -0.022 0.000 1.048 252 K CA 1.580 57.857 56.287 -0.016 0.000 0.929 252 K CB -0.254 32.249 32.500 0.006 0.000 0.713 252 K HN 0.051 nan 8.250 nan 0.000 0.439 253 E N 0.625 120.826 120.200 0.001 0.000 2.077 253 E HA -0.178 4.172 4.350 -0.000 0.000 0.193 253 E C 2.112 178.696 176.600 -0.026 0.000 0.989 253 E CA 1.244 57.648 56.400 0.007 0.000 0.800 253 E CB -0.078 29.645 29.700 0.037 0.000 0.746 253 E HN 0.298 nan 8.360 nan 0.000 0.452 254 L N 0.565 121.779 121.223 -0.014 0.000 2.127 254 L HA -0.208 4.132 4.340 -0.000 0.000 0.211 254 L C 2.502 179.223 176.870 -0.248 0.000 1.089 254 L CA 0.469 55.297 54.840 -0.020 0.000 0.757 254 L CB -0.229 41.883 42.059 0.089 0.000 0.899 254 L HN 0.204 nan 8.230 nan 0.000 0.434 255 L N -0.173 120.904 121.223 -0.244 0.000 2.072 255 L HA -0.164 4.176 4.340 -0.000 0.000 0.205 255 L C 2.295 178.890 176.870 -0.459 0.000 1.079 255 L CA 1.580 56.162 54.840 -0.430 0.000 0.752 255 L CB -0.182 41.672 42.059 -0.342 0.000 0.906 255 L HN 0.069 nan 8.230 nan 0.000 0.436 256 I N -0.478 119.967 120.570 -0.209 0.000 2.179 256 I HA -0.309 3.861 4.170 -0.000 0.000 0.242 256 I C 2.615 178.655 176.117 -0.129 0.000 1.088 256 I CA 1.162 62.419 61.300 -0.071 0.000 1.357 256 I CB -0.714 37.291 38.000 0.009 0.000 1.051 256 I HN 0.357 nan 8.210 nan 0.000 0.409 257 A N 0.555 123.258 122.820 -0.195 0.000 1.883 257 A HA -0.302 4.018 4.320 -0.000 0.000 0.217 257 A C 2.299 179.603 177.584 -0.467 0.000 1.186 257 A CA 2.212 54.118 52.037 -0.219 0.000 0.624 257 A CB -0.759 18.172 19.000 -0.114 0.000 0.822 257 A HN 0.514 nan 8.150 nan 0.000 0.444 258 E N -1.613 118.018 120.200 -0.948 0.000 2.085 258 E HA -0.232 4.118 4.350 -0.000 0.000 0.194 258 E C 1.807 178.149 176.600 -0.430 0.000 0.994 258 E CA 1.493 57.224 56.400 -1.115 0.000 0.801 258 E CB -0.304 28.624 29.700 -1.288 0.000 0.743 258 E HN 0.652 nan 8.360 nan 0.000 0.453 259 Y N 0.276 120.373 120.300 -0.337 0.000 2.181 259 Y HA -0.113 4.437 4.550 -0.000 0.000 0.288 259 Y C 2.330 178.107 175.900 -0.205 0.000 1.146 259 Y CA 0.906 58.869 58.100 -0.228 0.000 1.164 259 Y CB -1.067 37.288 38.460 -0.175 0.000 0.982 259 Y HN 0.192 nan 8.280 nan 0.000 0.515 260 A N -0.007 122.800 122.820 -0.021 0.000 1.883 260 A HA -0.153 4.167 4.320 -0.000 0.000 0.217 260 A C 2.530 180.070 177.584 -0.072 0.000 1.186 260 A CA 2.137 54.148 52.037 -0.044 0.000 0.624 260 A CB -1.238 17.748 19.000 -0.023 0.000 0.822 260 A HN 0.380 nan 8.150 nan 0.000 0.444 261 A N -0.402 122.359 122.820 -0.097 0.000 1.933 261 A HA -0.160 4.160 4.320 -0.000 0.000 0.218 261 A C 2.092 179.599 177.584 -0.127 0.000 1.175 261 A CA 1.840 53.821 52.037 -0.093 0.000 0.628 261 A CB -0.414 18.562 19.000 -0.041 0.000 0.814 261 A HN 0.560 nan 8.150 nan 0.000 0.444 262 K N -0.481 119.851 120.400 -0.113 0.000 2.148 262 K HA -0.038 4.282 4.320 -0.000 0.000 0.204 262 K C 1.792 178.311 176.600 -0.135 0.000 1.050 262 K CA 1.246 57.467 56.287 -0.110 0.000 0.942 262 K CB -0.234 32.230 32.500 -0.059 0.000 0.724 262 K HN 0.330 nan 8.250 nan 0.000 0.446 263 V N 1.523 121.331 119.914 -0.176 0.000 2.358 263 V HA -0.228 3.892 4.120 -0.000 0.000 0.246 263 V C 2.103 178.171 176.094 -0.043 0.000 1.047 263 V CA 1.555 63.683 62.300 -0.286 0.000 1.035 263 V CB -0.353 31.272 31.823 -0.331 0.000 0.658 263 V HN 0.249 nan 8.190 nan 0.000 0.452 264 I N 1.098 121.638 120.570 -0.050 0.000 2.163 264 I HA -0.216 3.954 4.170 -0.000 0.000 0.240 264 I C 2.646 178.680 176.117 -0.138 0.000 1.081 264 I CA 2.052 63.336 61.300 -0.026 0.000 1.353 264 I CB -0.798 37.158 38.000 -0.074 0.000 1.054 264 I HN 0.469 nan 8.210 nan 0.000 0.407 265 T N -2.964 111.372 114.554 -0.363 0.000 3.098 265 T HA -0.009 4.341 4.350 -0.000 0.000 0.266 265 T C 1.446 175.943 174.700 -0.338 0.000 1.145 265 T CA 1.025 62.629 62.100 -0.826 0.000 1.092 265 T CB -0.168 68.187 68.868 -0.855 0.000 0.908 265 T HN 0.154 nan 8.240 nan 0.000 0.526 266 S N 1.016 116.721 115.700 0.008 0.000 2.559 266 S HA 0.282 4.751 4.470 -0.000 0.000 0.226 266 S C 0.917 175.804 174.600 0.479 0.000 1.000 266 S CA -0.297 58.045 58.200 0.237 0.000 0.948 266 S CB 0.288 63.656 63.200 0.281 0.000 0.870 266 S HN 0.797 nan 8.310 nan 0.000 0.497 267 S N 2.608 118.541 115.700 0.389 0.000 2.614 267 S HA 0.294 4.764 4.470 -0.000 0.000 0.265 267 S C -2.115 172.404 174.600 -0.136 0.000 1.303 267 S CA -1.004 57.319 58.200 0.205 0.000 1.000 267 S CB 0.567 63.993 63.200 0.378 0.000 0.935 267 S HN 0.065 nan 8.310 nan 0.000 0.551 268 P HA 0.089 nan 4.420 nan 0.000 0.256 268 P C -0.397 176.471 177.300 -0.720 0.000 1.335 268 P CA 0.459 62.965 63.100 -0.989 0.000 0.808 268 P CB -0.440 30.288 31.700 -1.621 0.000 1.305 269 Y N -2.614 117.608 120.300 -0.130 0.000 2.426 269 Y HA 0.193 4.743 4.550 -0.000 0.000 0.249 269 Y C 1.039 176.898 175.900 -0.068 0.000 1.103 269 Y CA -0.736 57.330 58.100 -0.057 0.000 1.256 269 Y CB -0.367 38.084 38.460 -0.015 0.000 1.208 269 Y HN -0.139 nan 8.280 nan 0.000 0.519 270 Y N 4.750 124.974 120.300 -0.127 0.000 2.624 270 Y HA 0.376 4.926 4.550 0.000 0.000 0.354 270 Y C 0.067 175.857 175.900 -0.182 0.000 1.051 270 Y CA -0.604 57.277 58.100 -0.365 0.000 1.377 270 Y CB -0.516 37.752 38.460 -0.321 0.000 1.168 270 Y HN 0.129 nan 8.280 nan 0.000 0.525 271 K N 2.626 122.709 120.400 -0.528 0.000 2.672 271 K HA 0.304 4.624 4.320 -0.000 0.000 0.295 271 K C -1.304 175.235 176.600 -0.102 0.000 1.042 271 K CA -1.311 54.777 56.287 -0.330 0.000 0.869 271 K CB 0.709 33.139 32.500 -0.117 0.000 1.541 271 K HN 0.301 nan 8.250 nan 0.000 0.396 272 E N 0.453 120.618 120.200 -0.058 0.000 2.502 272 E HA 0.196 4.546 4.350 -0.000 0.000 0.261 272 E C 0.706 177.359 176.600 0.088 0.000 0.974 272 E CA 2.260 58.677 56.400 0.029 0.000 0.936 272 E CB -0.058 29.646 29.700 0.006 0.000 0.926 272 E HN 0.849 nan 8.360 nan 0.000 0.459 273 G N 4.070 112.925 108.800 0.091 0.000 2.198 273 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.257 273 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.257 273 G C -0.043 174.897 174.900 0.068 0.000 1.042 273 G CA 0.295 45.426 45.100 0.052 0.000 0.791 273 G HN 0.597 nan 8.290 nan 0.000 0.502 274 F N 0.870 120.821 119.950 0.001 0.000 2.377 274 F HA 0.844 5.371 4.527 -0.000 0.000 0.328 274 F C 0.440 176.226 175.800 -0.023 0.000 1.094 274 F CA -0.848 57.160 58.000 0.012 0.000 1.093 274 F CB 1.290 40.317 39.000 0.046 0.000 1.214 274 F HN 0.395 nan 8.300 nan 0.000 0.518 275 S N 2.801 118.362 115.700 -0.231 0.000 2.681 275 S HA 0.897 5.367 4.470 -0.000 0.000 0.299 275 S C -0.983 173.546 174.600 -0.118 0.000 1.113 275 S CA -0.556 57.263 58.200 -0.635 0.000 1.013 275 S CB 1.771 64.273 63.200 -1.164 0.000 1.076 275 S HN 1.150 nan 8.310 nan 0.000 0.534 276 F N -1.947 117.767 119.950 -0.393 0.000 2.770 276 F HA 0.685 5.212 4.527 -0.000 0.000 0.313 276 F C -1.393 174.370 175.800 -0.062 0.000 1.154 276 F CA -0.935 57.008 58.000 -0.095 0.000 0.923 276 F CB 1.438 40.495 39.000 0.096 0.000 1.301 276 F HN 0.764 nan 8.300 nan 0.000 0.449 277 Q N 1.856 121.707 119.800 0.086 0.000 2.271 277 Q HA 0.624 4.964 4.340 -0.000 0.000 0.268 277 Q C -1.548 174.563 176.000 0.185 0.000 1.021 277 Q CA -0.566 55.258 55.803 0.034 0.000 0.802 277 Q CB 2.643 31.415 28.738 0.058 0.000 1.282 277 Q HN 1.036 nan 8.270 nan 0.000 0.431 278 T N -0.015 114.649 114.554 0.184 0.000 2.927 278 T HA 0.781 5.131 4.350 -0.000 0.000 0.286 278 T C 0.629 175.377 174.700 0.079 0.000 1.040 278 T CA -0.335 61.870 62.100 0.175 0.000 1.010 278 T CB 1.352 70.365 68.868 0.241 0.000 1.177 278 T HN 0.606 nan 8.240 nan 0.000 0.546 279 G N -0.213 108.625 108.800 0.064 0.000 2.683 279 G HA2 0.403 4.363 3.960 -0.000 0.000 0.260 279 G HA3 0.403 4.363 3.960 -0.000 0.000 0.260 279 G C 0.767 175.625 174.900 -0.070 0.000 1.238 279 G CA 0.027 45.127 45.100 -0.000 0.000 0.934 279 G HN 1.123 nan 8.290 nan 0.000 0.534 280 T N -3.395 111.057 114.554 -0.171 0.000 3.174 280 T HA 0.571 4.921 4.350 -0.000 0.000 0.269 280 T C 0.634 175.277 174.700 -0.094 0.000 1.017 280 T CA 0.472 62.402 62.100 -0.283 0.000 0.899 280 T CB 0.129 68.477 68.868 -0.866 0.000 1.077 280 T HN 1.646 nan 8.240 nan 0.000 0.552 281 G N -1.139 107.657 108.800 -0.007 0.000 2.316 281 G HA2 0.560 4.520 3.960 -0.000 0.000 0.296 281 G HA3 0.560 4.520 3.960 -0.000 0.000 0.296 281 G C 0.057 175.001 174.900 0.073 0.000 1.399 281 G CA -0.044 45.085 45.100 0.049 0.000 0.833 281 G HN 1.098 nan 8.290 nan 0.000 0.565 282 G N -0.528 108.324 108.800 0.087 0.000 2.575 282 G HA2 0.211 4.171 3.960 -0.000 0.000 0.267 282 G HA3 0.211 4.171 3.960 -0.000 0.000 0.267 282 G C 1.519 176.479 174.900 0.100 0.000 1.264 282 G CA 1.849 47.001 45.100 0.086 0.000 0.935 282 G HN 2.286 nan 8.290 nan 0.000 0.568 283 A N -0.778 122.089 122.820 0.079 0.000 1.930 283 A HA 0.171 4.491 4.320 -0.000 0.000 0.217 283 A C 2.855 180.486 177.584 0.077 0.000 1.175 283 A CA 3.203 55.282 52.037 0.070 0.000 0.627 283 A CB -0.953 18.073 19.000 0.043 0.000 0.815 283 A HN 2.297 nan 8.150 nan 0.000 0.443 284 S N -0.281 115.465 115.700 0.076 0.000 2.419 284 S HA -0.173 4.297 4.470 -0.000 0.000 0.235 284 S C 1.778 176.440 174.600 0.102 0.000 1.019 284 S CA 1.586 59.833 58.200 0.078 0.000 0.982 284 S CB -0.481 62.758 63.200 0.065 0.000 0.789 284 S HN 0.534 nan 8.310 nan 0.000 0.490 285 L N 1.835 123.133 121.223 0.124 0.000 2.145 285 L HA 0.464 4.804 4.340 -0.000 0.000 0.201 285 L C 2.623 179.653 176.870 0.267 0.000 1.075 285 L CA 1.503 56.453 54.840 0.184 0.000 0.773 285 L CB -1.384 40.779 42.059 0.174 0.000 0.936 285 L HN 0.263 nan 8.230 nan 0.000 0.451 286 A N -0.576 122.383 122.820 0.232 0.000 2.032 286 A HA -0.217 4.103 4.320 -0.000 0.000 0.221 286 A C 2.426 180.033 177.584 0.038 0.000 1.165 286 A CA 1.802 53.879 52.037 0.067 0.000 0.645 286 A CB -1.455 17.608 19.000 0.105 0.000 0.807 286 A HN 0.395 nan 8.150 nan 0.000 0.453 287 V N 0.973 120.955 119.914 0.115 0.000 2.439 287 V HA -0.287 3.833 4.120 -0.000 0.000 0.253 287 V C 2.802 178.963 176.094 0.112 0.000 1.074 287 V CA 3.189 65.562 62.300 0.121 0.000 1.076 287 V CB -1.015 30.848 31.823 0.067 0.000 0.664 287 V HN 0.886 nan 8.190 nan 0.000 0.461 288 T N -1.652 112.959 114.554 0.094 0.000 2.881 288 T HA -0.268 4.082 4.350 -0.000 0.000 0.270 288 T C 1.977 176.664 174.700 -0.021 0.000 1.068 288 T CA 1.612 63.762 62.100 0.083 0.000 1.131 288 T CB -0.580 68.425 68.868 0.229 0.000 0.871 288 T HN 0.642 nan 8.240 nan 0.000 0.479 289 R N 0.180 120.528 120.500 -0.252 0.000 2.070 289 R HA 0.008 4.348 4.340 -0.000 0.000 0.233 289 R C 0.459 176.537 176.300 -0.370 0.000 1.137 289 R CA 0.816 56.637 56.100 -0.466 0.000 0.945 289 R CB -0.526 29.178 30.300 -0.994 0.000 0.845 289 R HN 0.425 nan 8.270 nan 0.000 0.430 293 E N 1.053 121.237 120.200 -0.026 0.000 2.070 293 E HA -0.181 4.169 4.350 -0.000 0.000 0.197 293 E C 0.228 176.834 176.600 0.011 0.000 1.004 293 E CA 1.275 57.661 56.400 -0.023 0.000 0.805 293 E CB 0.127 29.789 29.700 -0.063 0.000 0.744 293 E HN 0.218 nan 8.360 nan 0.000 0.451 297 K N 1.622 122.055 120.400 0.055 0.000 2.034 297 K HA -0.125 4.195 4.320 -0.000 0.000 0.214 297 K C 0.221 176.857 176.600 0.061 0.000 1.051 297 K CA 1.608 57.924 56.287 0.049 0.000 0.931 297 K CB -0.232 32.295 32.500 0.044 0.000 0.715 297 K HN 0.359 nan 8.250 nan 0.000 0.446 298 D N 0.153 120.608 120.400 0.092 0.000 2.433 298 D HA 0.004 4.644 4.640 -0.000 0.000 0.255 298 D C -0.019 176.326 176.300 0.074 0.000 1.226 298 D CA 0.045 54.100 54.000 0.093 0.000 1.015 298 D CB 0.762 41.653 40.800 0.151 0.000 1.091 298 D HN -0.007 nan 8.370 nan 0.000 0.527 299 D N -0.547 119.884 120.400 0.052 0.000 2.501 299 D HA 0.124 4.763 4.640 -0.000 0.000 0.226 299 D C -0.129 176.194 176.300 0.039 0.000 1.198 299 D CA -0.396 53.631 54.000 0.044 0.000 0.830 299 D CB -0.261 40.557 40.800 0.030 0.000 1.014 299 D HN 0.307 nan 8.370 nan 0.000 0.496 300 I N -1.533 119.058 120.570 0.035 0.000 2.634 300 I HA 0.296 4.465 4.170 -0.000 0.000 0.284 300 I C -0.120 176.047 176.117 0.084 0.000 1.124 300 I CA -0.042 61.264 61.300 0.011 0.000 1.417 300 I CB 0.777 38.688 38.000 -0.150 0.000 1.396 300 I HN -0.252 nan 8.210 nan 0.000 0.571 301 K N 4.629 125.078 120.400 0.083 0.000 2.443 301 K HA 0.781 5.101 4.320 -0.000 0.000 0.252 301 K C -1.041 175.580 176.600 0.035 0.000 0.933 301 K CA -0.975 55.358 56.287 0.076 0.000 0.792 301 K CB 1.879 34.405 32.500 0.044 0.000 1.185 301 K HN 0.953 nan 8.250 nan 0.000 0.425 302 A N 2.479 125.254 122.820 -0.075 0.000 2.354 302 A HA 0.155 4.475 4.320 -0.000 0.000 0.269 302 A C 0.733 178.205 177.584 -0.187 0.000 1.109 302 A CA -0.296 51.507 52.037 -0.390 0.000 0.800 302 A CB 0.045 18.681 19.000 -0.607 0.000 1.045 302 A HN 1.058 nan 8.150 nan 0.000 0.489 303 N N 0.675 119.261 118.700 -0.191 0.000 2.171 303 N HA 0.144 4.884 4.740 -0.000 0.000 0.184 303 N C 0.080 175.640 175.510 0.082 0.000 1.021 303 N CA 1.188 54.233 53.050 -0.009 0.000 0.854 303 N CB -0.099 38.448 38.487 0.101 0.000 0.994 303 N HN 0.764 nan 8.380 nan 0.000 0.426 304 F N -2.047 117.800 119.950 -0.172 0.000 2.719 304 F HA 0.794 5.321 4.527 0.000 0.000 0.309 304 F C -1.898 173.673 175.800 -0.382 0.000 1.138 304 F CA -1.528 56.349 58.000 -0.204 0.000 0.943 304 F CB 1.005 39.920 39.000 -0.142 0.000 1.304 304 F HN -0.004 nan 8.300 nan 0.000 0.445 305 A N 2.118 124.770 122.820 -0.280 0.000 2.356 305 A HA 0.898 5.218 4.320 -0.000 0.000 0.323 305 A C -1.882 175.630 177.584 -0.119 0.000 1.119 305 A CA -0.741 50.934 52.037 -0.603 0.000 0.790 305 A CB 1.697 20.317 19.000 -0.634 0.000 1.273 305 A HN 1.157 nan 8.150 nan 0.000 0.452 306 L N 0.760 121.906 121.223 -0.129 0.000 2.171 306 L HA 0.935 5.275 4.340 -0.000 0.000 0.253 306 L C 0.920 177.801 176.870 0.018 0.000 1.054 306 L CA 1.003 55.879 54.840 0.060 0.000 0.927 306 L CB 1.335 43.537 42.059 0.238 0.000 1.513 306 L HN 2.042 nan 8.230 nan 0.000 0.471 307 G N -0.118 108.702 108.800 0.033 0.000 2.498 307 G HA2 -0.033 3.927 3.960 -0.000 0.000 0.245 307 G HA3 -0.033 3.927 3.960 -0.000 0.000 0.245 307 G C 0.061 174.947 174.900 -0.024 0.000 1.204 307 G CA -0.219 44.872 45.100 -0.015 0.000 0.933 307 G HN 1.446 nan 8.290 nan 0.000 0.574 308 G N -0.013 108.846 108.800 0.098 0.000 2.350 308 G HA2 0.591 4.551 3.960 -0.000 0.000 0.306 308 G HA3 0.591 4.551 3.960 -0.000 0.000 0.306 308 G C 0.164 175.157 174.900 0.155 0.000 1.094 308 G CA -0.324 44.968 45.100 0.321 0.000 0.953 308 G HN 0.657 nan 8.290 nan 0.000 0.420 309 I N 2.047 122.726 120.570 0.182 0.000 2.638 309 I HA 0.374 4.544 4.170 -0.000 0.000 0.286 309 I C 1.099 177.299 176.117 0.137 0.000 1.088 309 I CA -0.237 61.121 61.300 0.097 0.000 1.397 309 I CB 1.024 39.069 38.000 0.075 0.000 1.414 309 I HN 0.548 nan 8.210 nan 0.000 0.566 310 T N 0.893 115.486 114.554 0.066 0.000 2.887 310 T HA 0.251 4.601 4.350 -0.000 0.000 0.292 310 T C 0.853 175.569 174.700 0.027 0.000 1.087 310 T CA -0.766 61.372 62.100 0.064 0.000 1.009 310 T CB 1.728 70.610 68.868 0.024 0.000 1.203 310 T HN 0.614 nan 8.240 nan 0.000 0.518 311 N N 0.329 119.034 118.700 0.007 0.000 2.205 311 N HA -0.111 4.629 4.740 -0.000 0.000 0.186 311 N C 1.095 176.589 175.510 -0.026 0.000 1.015 311 N CA 0.938 53.980 53.050 -0.014 0.000 0.862 311 N CB -0.443 38.026 38.487 -0.030 0.000 0.986 311 N HN 0.849 nan 8.380 nan 0.000 0.429 315 E N 1.265 121.475 120.200 0.016 0.000 2.049 315 E HA -0.182 4.168 4.350 -0.000 0.000 0.198 315 E C 2.033 178.658 176.600 0.043 0.000 1.007 315 E CA 2.286 58.704 56.400 0.029 0.000 0.809 315 E CB -0.202 29.521 29.700 0.038 0.000 0.749 315 E HN 0.603 nan 8.360 nan 0.000 0.450 316 L N -0.089 121.171 121.223 0.061 0.000 2.083 316 L HA -0.162 4.178 4.340 -0.000 0.000 0.209 316 L C 2.427 179.327 176.870 0.051 0.000 1.083 316 L CA 0.539 55.424 54.840 0.076 0.000 0.752 316 L CB -0.329 41.808 42.059 0.131 0.000 0.899 316 L HN 0.247 nan 8.230 nan 0.000 0.433 317 L N -0.410 120.827 121.223 0.023 0.000 2.141 317 L HA -0.164 4.176 4.340 -0.000 0.000 0.209 317 L C 2.438 179.319 176.870 0.018 0.000 1.094 317 L CA 1.646 56.490 54.840 0.007 0.000 0.763 317 L CB -0.320 41.719 42.059 -0.032 0.000 0.908 317 L HN 0.216 nan 8.230 nan 0.000 0.437 318 E N -0.514 119.699 120.200 0.021 0.000 2.122 318 E HA -0.148 4.202 4.350 -0.000 0.000 0.190 318 E C 1.653 178.269 176.600 0.026 0.000 0.977 318 E CA 0.928 57.341 56.400 0.022 0.000 0.820 318 E CB -0.081 29.631 29.700 0.021 0.000 0.770 318 E HN 0.645 nan 8.360 nan 0.000 0.462 319 E N 0.292 120.511 120.200 0.031 0.000 2.516 319 E HA -0.002 4.348 4.350 -0.000 0.000 0.199 319 E C 0.819 177.440 176.600 0.034 0.000 1.069 319 E CA 0.286 56.706 56.400 0.033 0.000 0.876 319 E CB 0.013 29.736 29.700 0.040 0.000 0.843 319 E HN 0.367 nan 8.360 nan 0.000 0.530 320 G N 1.078 109.898 108.800 0.033 0.000 2.160 320 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.251 320 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.251 320 G C 0.665 175.589 174.900 0.040 0.000 1.008 320 G CA 0.212 45.331 45.100 0.032 0.000 0.724 320 G HN 0.233 nan 8.290 nan 0.000 0.514 321 L N -0.741 120.512 121.223 0.051 0.000 2.375 321 L HA 0.491 4.831 4.340 -0.000 0.000 0.215 321 L C 1.318 178.228 176.870 0.065 0.000 1.108 321 L CA 1.176 56.056 54.840 0.066 0.000 0.830 321 L CB 0.818 42.927 42.059 0.084 0.000 0.959 321 L HN 0.357 nan 8.230 nan 0.000 0.457 322 V N -1.397 118.550 119.914 0.055 0.000 2.525 322 V HA 0.228 4.348 4.120 -0.000 0.000 0.299 322 V C 0.468 176.573 176.094 0.018 0.000 1.034 322 V CA -0.590 61.730 62.300 0.034 0.000 0.863 322 V CB 1.847 33.704 31.823 0.056 0.000 0.999 322 V HN 0.150 nan 8.190 nan 0.000 0.423 323 D N 5.092 125.501 120.400 0.015 0.000 2.084 323 D HA -0.021 4.619 4.640 -0.000 0.000 0.194 323 D C 0.733 177.050 176.300 0.027 0.000 0.990 323 D CA 1.725 55.739 54.000 0.023 0.000 0.826 323 D CB 0.354 41.170 40.800 0.028 0.000 0.971 323 D HN 0.517 nan 8.370 nan 0.000 0.453 324 K N -0.496 119.933 120.400 0.047 0.000 2.378 324 K HA 0.506 4.826 4.320 -0.000 0.000 0.244 324 K C -0.893 175.734 176.600 0.045 0.000 1.039 324 K CA -0.948 55.366 56.287 0.044 0.000 0.863 324 K CB 2.550 35.069 32.500 0.032 0.000 1.326 324 K HN 0.133 nan 8.250 nan 0.000 0.460 325 I N 1.077 121.657 120.570 0.016 0.000 2.586 325 I HA 0.287 4.457 4.170 -0.000 0.000 0.288 325 I C -1.686 174.449 176.117 0.030 0.000 1.147 325 I CA -0.753 60.526 61.300 -0.035 0.000 1.047 325 I CB 1.028 38.880 38.000 -0.246 0.000 1.244 325 I HN 0.410 nan 8.210 nan 0.000 0.429 326 L N 6.600 127.851 121.223 0.046 0.000 2.275 326 L HA 0.509 4.849 4.340 -0.000 0.000 0.288 326 L C -0.607 176.285 176.870 0.036 0.000 1.046 326 L CA -0.364 54.506 54.840 0.049 0.000 0.805 326 L CB 1.065 43.113 42.059 -0.018 0.000 1.193 326 L HN 0.540 nan 8.230 nan 0.000 0.426 327 D N 2.615 123.042 120.400 0.045 0.000 2.408 327 D HA 0.184 4.824 4.640 -0.000 0.000 0.243 327 D C -0.075 176.129 176.300 -0.161 0.000 1.075 327 D CA -0.229 53.765 54.000 -0.010 0.000 0.832 327 D CB 2.674 43.558 40.800 0.141 0.000 1.162 327 D HN 0.237 nan 8.370 nan 0.000 0.515 328 V N 3.653 123.395 119.914 -0.287 0.000 3.621 328 V HA 0.228 4.348 4.120 -0.000 0.000 0.263 328 V C -0.077 175.743 176.094 -0.457 0.000 1.272 328 V CA 0.803 62.824 62.300 -0.465 0.000 1.080 328 V CB 0.063 31.415 31.823 -0.785 0.000 0.816 328 V HN 0.722 nan 8.190 nan 0.000 0.451 329 Q N 0.065 119.721 119.800 -0.240 0.000 2.468 329 Q HA 0.253 4.593 4.340 -0.000 0.000 0.263 329 Q C -2.090 173.922 176.000 0.021 0.000 0.979 329 Q CA -0.657 55.083 55.803 -0.106 0.000 0.932 329 Q CB 1.824 30.526 28.738 -0.061 0.000 1.462 329 Q HN 0.281 nan 8.270 nan 0.000 0.403 330 D N 3.070 123.440 120.400 -0.050 0.000 2.193 330 D HA 0.286 4.926 4.640 -0.000 0.000 0.249 330 D C -0.269 176.018 176.300 -0.022 0.000 1.034 330 D CA -0.070 53.953 54.000 0.038 0.000 0.902 330 D CB 0.868 41.647 40.800 -0.035 0.000 1.182 330 D HN 0.546 nan 8.370 nan 0.000 0.436 331 F N 0.585 120.557 119.950 0.036 0.000 2.654 331 F HA 0.081 4.608 4.527 -0.000 0.000 0.303 331 F C -0.047 175.785 175.800 0.052 0.000 1.099 331 F CA -0.414 57.619 58.000 0.056 0.000 1.270 331 F CB 0.626 39.665 39.000 0.064 0.000 1.024 331 F HN 0.194 nan 8.300 nan 0.000 0.548 332 D N -3.908 116.585 120.400 0.155 0.000 2.720 332 D HA 0.041 4.681 4.640 -0.000 0.000 0.239 332 D C 0.354 176.715 176.300 0.102 0.000 1.218 332 D CA -0.669 53.406 54.000 0.126 0.000 0.748 332 D CB 0.232 41.103 40.800 0.119 0.000 1.387 332 D HN -0.119 nan 8.370 nan 0.000 0.438 333 H N 0.801 119.888 119.070 0.029 0.000 2.289 333 H HA -0.043 4.513 4.556 -0.000 0.000 0.294 333 H C -0.984 174.353 175.328 0.014 0.000 1.095 333 H CA 3.343 59.400 56.048 0.015 0.000 1.256 333 H CB -0.791 28.979 29.762 0.013 0.000 1.359 333 H HN 0.342 nan 8.280 nan 0.000 0.487 334 P HA -0.129 nan 4.420 nan 0.000 0.216 334 P C 1.596 178.834 177.300 -0.102 0.000 1.150 334 P CA 1.954 64.969 63.100 -0.141 0.000 0.843 334 P CB 0.035 31.723 31.700 -0.021 0.000 0.787 335 S N 0.014 115.698 115.700 -0.027 0.000 2.383 335 S HA -0.026 4.444 4.470 -0.000 0.000 0.227 335 S C 2.235 176.832 174.600 -0.005 0.000 1.026 335 S CA 1.211 59.443 58.200 0.053 0.000 0.981 335 S CB -0.863 62.397 63.200 0.099 0.000 0.818 335 S HN 0.206 nan 8.310 nan 0.000 0.472 336 A N 1.056 123.814 122.820 -0.103 0.000 1.930 336 A HA -0.022 4.298 4.320 -0.000 0.000 0.217 336 A C 2.290 179.738 177.584 -0.228 0.000 1.175 336 A CA 1.302 53.236 52.037 -0.171 0.000 0.627 336 A CB -0.806 18.111 19.000 -0.138 0.000 0.815 336 A HN 0.340 nan 8.150 nan 0.000 0.443 337 V N -0.442 119.297 119.914 -0.292 0.000 2.343 337 V HA -0.220 3.900 4.120 -0.000 0.000 0.247 337 V C 2.781 178.781 176.094 -0.156 0.000 1.051 337 V CA 2.281 64.427 62.300 -0.257 0.000 1.036 337 V CB -0.824 30.802 31.823 -0.328 0.000 0.654 337 V HN 0.648 nan 8.190 nan 0.000 0.451 338 S N -0.109 115.536 115.700 -0.091 0.000 2.383 338 S HA -0.206 4.264 4.470 -0.000 0.000 0.229 338 S C 1.934 176.482 174.600 -0.086 0.000 1.030 338 S CA 1.769 59.983 58.200 0.023 0.000 1.002 338 S CB -0.440 62.884 63.200 0.206 0.000 0.829 338 S HN 0.448 nan 8.310 nan 0.000 0.467 339 L N 1.539 122.496 121.223 -0.445 0.000 2.261 339 L HA -0.078 4.262 4.340 -0.000 0.000 0.216 339 L C 1.667 178.313 176.870 -0.373 0.000 1.114 339 L CA 2.455 56.814 54.840 -0.801 0.000 0.777 339 L CB -0.646 40.980 42.059 -0.721 0.000 0.910 339 L HN 0.405 nan 8.230 nan 0.000 0.440 340 D N -1.635 118.624 120.400 -0.235 0.000 2.338 340 D HA -0.094 4.546 4.640 -0.000 0.000 0.224 340 D C 2.309 178.554 176.300 -0.093 0.000 0.967 340 D CA 0.520 54.426 54.000 -0.156 0.000 0.896 340 D CB -0.044 40.676 40.800 -0.134 0.000 1.028 340 D HN 0.192 nan 8.370 nan 0.000 0.493 341 R N 0.105 120.563 120.500 -0.070 0.000 2.070 341 R HA -0.017 4.323 4.340 -0.000 0.000 0.233 341 R C 0.179 176.475 176.300 -0.006 0.000 1.137 341 R CA 1.422 57.504 56.100 -0.031 0.000 0.945 341 R CB -0.273 30.014 30.300 -0.021 0.000 0.845 341 R HN 0.149 nan 8.270 nan 0.000 0.430 342 N N 0.791 119.503 118.700 0.020 0.000 2.994 342 N HA 0.198 4.938 4.740 -0.000 0.000 0.306 342 N C -0.743 174.803 175.510 0.060 0.000 1.348 342 N CA -0.211 52.869 53.050 0.050 0.000 1.109 342 N CB 1.231 39.768 38.487 0.084 0.000 1.415 342 N HN 0.291 nan 8.380 nan 0.000 0.529 343 A N 1.541 124.374 122.820 0.022 0.000 2.615 343 A HA -0.062 4.258 4.320 -0.000 0.000 0.230 343 A C 1.457 179.097 177.584 0.093 0.000 1.062 343 A CA 0.923 52.977 52.037 0.029 0.000 0.758 343 A CB 0.043 19.044 19.000 0.002 0.000 0.995 343 A HN 0.806 nan 8.150 nan 0.000 0.511 344 E N -0.579 119.730 120.200 0.182 0.000 5.003 344 E HA -0.369 3.981 4.350 -0.000 0.000 0.166 344 E C 0.891 177.592 176.600 0.168 0.000 1.244 344 E CA 1.881 58.415 56.400 0.224 0.000 2.281 344 E CB -1.558 28.200 29.700 0.096 0.000 1.825 344 E HN 0.668 nan 8.360 nan 0.000 0.420 345 K N 0.898 121.371 120.400 0.122 0.000 2.217 345 K HA 0.005 4.325 4.320 -0.000 0.000 0.202 345 K C 0.881 177.571 176.600 0.149 0.000 1.051 345 K CA 1.395 57.739 56.287 0.095 0.000 0.952 345 K CB -0.204 32.336 32.500 0.067 0.000 0.736 345 K HN 0.573 nan 8.250 nan 0.000 0.453 346 H N -0.484 118.625 119.070 0.065 0.000 2.786 346 H HA 0.173 4.729 4.556 -0.000 0.000 0.284 346 H C -1.531 173.839 175.328 0.070 0.000 1.104 346 H CA -0.648 55.425 56.048 0.041 0.000 1.339 346 H CB 0.375 30.133 29.762 -0.007 0.000 1.427 346 H HN -0.134 nan 8.280 nan 0.000 0.497 347 Y N 2.858 123.235 120.300 0.128 0.000 2.361 347 Y HA 0.137 4.687 4.550 -0.000 0.000 0.332 347 Y C 0.030 175.911 175.900 -0.032 0.000 1.101 347 Y CA -0.687 57.413 58.100 -0.000 0.000 1.137 347 Y CB 1.338 39.778 38.460 -0.033 0.000 1.207 347 Y HN 0.639 nan 8.280 nan 0.000 0.463 348 E N 5.738 125.742 120.200 -0.326 0.000 2.283 348 E HA 0.478 4.828 4.350 -0.000 0.000 0.278 348 E C -1.249 175.267 176.600 -0.139 0.000 1.027 348 E CA -0.489 55.755 56.400 -0.261 0.000 0.843 348 E CB 0.632 30.106 29.700 -0.376 0.000 1.062 348 E HN 0.640 nan 8.360 nan 0.000 0.401 349 I N 0.631 121.137 120.570 -0.108 0.000 2.686 349 I HA 0.440 4.610 4.170 -0.000 0.000 0.295 349 I C -0.859 175.204 176.117 -0.090 0.000 1.114 349 I CA -1.318 59.956 61.300 -0.044 0.000 1.038 349 I CB 1.942 39.954 38.000 0.020 0.000 1.238 349 I HN 0.425 nan 8.210 nan 0.000 0.420 350 D N 4.310 124.689 120.400 -0.036 0.000 2.362 350 D HA 0.382 5.022 4.640 -0.000 0.000 0.242 350 D C 1.224 177.554 176.300 0.050 0.000 1.132 350 D CA -0.196 53.791 54.000 -0.021 0.000 0.907 350 D CB 1.668 42.483 40.800 0.025 0.000 1.195 350 D HN 0.743 nan 8.370 nan 0.000 0.429 351 A N 1.783 124.646 122.820 0.072 0.000 2.024 351 A HA -0.215 4.105 4.320 -0.000 0.000 0.220 351 A C 1.298 179.040 177.584 0.264 0.000 1.164 351 A CA 1.317 53.498 52.037 0.240 0.000 0.643 351 A CB -1.094 18.127 19.000 0.368 0.000 0.806 351 A HN 0.739 nan 8.150 nan 0.000 0.451 355 A N 0.780 123.441 122.820 -0.265 0.000 2.585 355 A HA 0.558 4.878 4.320 -0.000 0.000 0.281 355 A C -0.201 177.310 177.584 -0.121 0.000 0.945 355 A CA 0.480 52.303 52.037 -0.356 0.000 1.031 355 A CB -0.381 18.233 19.000 -0.643 0.000 1.221 355 A HN 0.277 nan 8.150 nan 0.000 0.496 356 S N 1.746 117.425 115.700 -0.034 0.000 2.499 356 S HA 0.374 4.844 4.470 -0.000 0.000 0.275 356 S C -0.896 173.690 174.600 -0.024 0.000 1.257 356 S CA -0.992 57.197 58.200 -0.018 0.000 1.050 356 S CB 0.837 64.052 63.200 0.025 0.000 0.937 356 S HN 0.351 nan 8.310 nan 0.000 0.490 357 P HA 0.063 nan 4.420 nan 0.000 0.229 357 P C 0.123 177.422 177.300 -0.002 0.000 1.160 357 P CA 0.634 63.699 63.100 -0.058 0.000 0.777 357 P CB 0.134 31.745 31.700 -0.148 0.000 0.814 358 L N 0.599 121.828 121.223 0.010 0.000 2.709 358 L HA 0.261 4.601 4.340 -0.000 0.000 0.236 358 L C 0.507 177.490 176.870 0.189 0.000 1.266 358 L CA -0.287 54.609 54.840 0.093 0.000 0.987 358 L CB 0.446 42.497 42.059 -0.013 0.000 1.306 358 L HN 0.043 nan 8.230 nan 0.000 0.467 359 S N -1.276 114.512 115.700 0.147 0.000 2.851 359 S HA 0.454 4.924 4.470 -0.000 0.000 0.313 359 S C 0.378 175.038 174.600 0.100 0.000 1.163 359 S CA -0.913 57.371 58.200 0.142 0.000 0.850 359 S CB 1.854 65.115 63.200 0.102 0.000 1.245 359 S HN 0.235 nan 8.310 nan 0.000 0.558 360 K N 0.218 120.662 120.400 0.073 0.000 2.444 360 K HA 0.380 4.700 4.320 -0.000 0.000 0.193 360 K C 0.420 177.045 176.600 0.043 0.000 1.024 360 K CA 0.464 56.779 56.287 0.047 0.000 1.077 360 K CB 0.152 32.670 32.500 0.030 0.000 0.833 360 K HN 0.916 nan 8.250 nan 0.000 0.517 361 G N 1.263 110.093 108.800 0.050 0.000 2.350 361 G HA2 -0.046 3.914 3.960 -0.000 0.000 0.274 361 G HA3 -0.046 3.914 3.960 -0.000 0.000 0.274 361 G C -0.897 174.025 174.900 0.037 0.000 1.621 361 G CA -0.827 44.297 45.100 0.041 0.000 0.935 361 G HN 0.057 nan 8.290 nan 0.000 0.694 362 S N 0.309 116.030 115.700 0.034 0.000 2.621 362 S HA 0.742 5.212 4.470 -0.000 0.000 0.302 362 S C 1.633 176.248 174.600 0.024 0.000 1.093 362 S CA 0.069 58.285 58.200 0.027 0.000 1.017 362 S CB 1.818 65.019 63.200 0.002 0.000 1.077 362 S HN 2.012 nan 8.310 nan 0.000 0.517 363 V N 0.793 120.728 119.914 0.034 0.000 2.427 363 V HA -0.119 4.000 4.120 -0.000 0.000 0.248 363 V C 2.150 178.304 176.094 0.101 0.000 1.051 363 V CA 1.646 63.965 62.300 0.033 0.000 1.048 363 V CB -1.560 30.282 31.823 0.030 0.000 0.666 363 V HN 0.942 nan 8.190 nan 0.000 0.456 364 I N -0.529 120.079 120.570 0.063 0.000 2.800 364 I HA -0.171 3.999 4.170 -0.000 0.000 0.266 364 I C 2.119 178.273 176.117 0.061 0.000 1.249 364 I CA 2.253 63.587 61.300 0.058 0.000 1.458 364 I CB -1.190 36.766 38.000 -0.073 0.000 1.093 364 I HN 0.376 nan 8.210 nan 0.000 0.466 365 N N 0.395 119.129 118.700 0.058 0.000 2.494 365 N HA -0.069 4.671 4.740 -0.000 0.000 0.182 365 N C 1.186 176.738 175.510 0.070 0.000 1.076 365 N CA 0.262 53.346 53.050 0.055 0.000 0.908 365 N CB 0.224 38.744 38.487 0.054 0.000 0.967 365 N HN 0.417 nan 8.380 nan 0.000 0.449 366 Q N 0.252 120.126 119.800 0.124 0.000 2.179 366 Q HA 0.133 4.473 4.340 -0.000 0.000 0.213 366 Q C -0.756 175.391 176.000 0.244 0.000 0.833 366 Q CA -0.211 55.704 55.803 0.187 0.000 0.990 366 Q CB 0.502 29.371 28.738 0.219 0.000 1.132 366 Q HN 0.235 nan 8.270 nan 0.000 0.493 367 L N 1.973 123.291 121.223 0.157 0.000 2.290 367 L HA 0.164 4.504 4.340 -0.000 0.000 0.284 367 L C 0.707 177.566 176.870 -0.018 0.000 1.078 367 L CA 0.473 55.356 54.840 0.072 0.000 0.815 367 L CB 0.814 42.919 42.059 0.077 0.000 1.162 367 L HN -0.091 nan 8.230 nan 0.000 0.435 368 D N 4.322 124.703 120.400 -0.032 0.000 2.183 368 D HA 0.110 4.750 4.640 -0.000 0.000 0.205 368 D C 0.282 176.475 176.300 -0.178 0.000 0.962 368 D CA 1.024 54.961 54.000 -0.105 0.000 0.849 368 D CB 0.723 41.563 40.800 0.067 0.000 0.978 368 D HN 0.284 nan 8.370 nan 0.000 0.488 369 I N 0.641 121.211 120.570 -0.000 0.000 2.841 369 I HA 0.216 4.386 4.170 -0.000 0.000 0.298 369 I C -1.651 174.520 176.117 0.090 0.000 1.304 369 I CA -0.712 60.599 61.300 0.018 0.000 1.019 369 I CB 2.112 40.160 38.000 0.080 0.000 1.282 369 I HN 0.079 nan 8.210 nan 0.000 0.432 370 C N 5.508 124.842 119.300 0.055 0.000 2.712 370 C HA 0.863 5.323 4.460 -0.000 0.000 0.308 370 C C -0.837 174.187 174.990 0.057 0.000 1.201 370 C CA -0.616 58.444 59.018 0.069 0.000 1.554 370 C CB 0.844 28.603 27.740 0.031 0.000 2.117 370 C HN 0.433 nan 8.230 nan 0.000 0.480 371 V N 3.784 123.741 119.914 0.072 0.000 2.350 371 V HA 0.526 4.646 4.120 -0.000 0.000 0.285 371 V C -0.052 176.059 176.094 0.029 0.000 1.014 371 V CA -0.068 62.267 62.300 0.058 0.000 0.831 371 V CB 0.849 32.724 31.823 0.086 0.000 1.000 371 V HN 0.859 nan 8.190 nan 0.000 0.433 372 L N 3.679 124.901 121.223 -0.001 0.000 2.303 372 L HA 0.789 5.129 4.340 -0.000 0.000 0.266 372 L C 0.500 177.412 176.870 0.071 0.000 1.011 372 L CA -0.401 54.421 54.840 -0.030 0.000 0.818 372 L CB 2.397 44.287 42.059 -0.282 0.000 1.326 372 L HN 0.725 nan 8.230 nan 0.000 0.435 373 S N 0.092 115.874 115.700 0.137 0.000 2.786 373 S HA 0.974 5.444 4.470 -0.000 0.000 0.307 373 S C -0.608 174.104 174.600 0.187 0.000 1.121 373 S CA -0.514 57.767 58.200 0.136 0.000 0.975 373 S CB 2.197 65.455 63.200 0.097 0.000 1.220 373 S HN 0.881 nan 8.310 nan 0.000 0.550 374 A N -0.578 122.286 122.820 0.073 0.000 2.605 374 A HA 0.655 4.975 4.320 -0.000 0.000 0.294 374 A C -0.041 177.504 177.584 -0.066 0.000 1.062 374 A CA -0.816 51.219 52.037 -0.004 0.000 0.682 374 A CB 0.227 19.209 19.000 -0.029 0.000 1.278 374 A HN 0.738 nan 8.150 nan 0.000 0.410 375 L N -0.125 121.043 121.223 -0.091 0.000 2.200 375 L HA 0.259 4.599 4.340 -0.000 0.000 0.200 375 L C 0.813 177.601 176.870 -0.136 0.000 1.072 375 L CA 0.982 55.769 54.840 -0.088 0.000 0.787 375 L CB 0.048 42.066 42.059 -0.069 0.000 0.957 375 L HN 0.801 nan 8.230 nan 0.000 0.459 376 E N -1.228 118.876 120.200 -0.160 0.000 2.433 376 E HA 0.562 4.912 4.350 -0.000 0.000 0.273 376 E C -1.540 174.918 176.600 -0.237 0.000 0.950 376 E CA -0.551 55.726 56.400 -0.204 0.000 0.796 376 E CB 3.473 33.098 29.700 -0.125 0.000 1.330 376 E HN -0.225 nan 8.360 nan 0.000 0.455 377 V N 2.089 121.837 119.914 -0.277 0.000 2.781 377 V HA 0.159 4.279 4.120 -0.000 0.000 0.289 377 V C -1.837 174.173 176.094 -0.140 0.000 1.275 377 V CA -0.592 61.581 62.300 -0.212 0.000 0.936 377 V CB 1.427 33.081 31.823 -0.281 0.000 1.074 377 V HN 0.824 nan 8.190 nan 0.000 0.444 378 D N 3.586 123.938 120.400 -0.080 0.000 2.478 378 D HA 0.298 4.938 4.640 -0.000 0.000 0.269 378 D C 1.300 177.545 176.300 -0.092 0.000 1.232 378 D CA 0.430 54.399 54.000 -0.052 0.000 1.059 378 D CB 0.769 41.549 40.800 -0.033 0.000 1.104 378 D HN 0.686 nan 8.370 nan 0.000 0.566 379 T N -3.470 111.043 114.554 -0.068 0.000 3.227 379 T HA 0.004 4.354 4.350 -0.000 0.000 0.257 379 T C 0.483 175.153 174.700 -0.051 0.000 1.162 379 T CA 0.222 62.262 62.100 -0.101 0.000 1.051 379 T CB -0.630 68.214 68.868 -0.041 0.000 0.953 379 T HN 0.269 nan 8.240 nan 0.000 0.535 380 N N -0.099 118.601 118.700 -0.000 0.000 2.187 380 N HA 0.380 5.120 4.740 -0.000 0.000 0.212 380 N C -0.334 175.348 175.510 0.287 0.000 1.152 380 N CA -0.558 52.575 53.050 0.139 0.000 0.872 380 N CB -0.159 38.382 38.487 0.090 0.000 1.025 380 N HN 0.331 nan 8.380 nan 0.000 0.514 381 F N -1.160 118.828 119.950 0.063 0.000 2.840 381 F HA -0.283 4.244 4.527 0.000 0.000 0.310 381 F C -0.063 175.773 175.800 0.060 0.000 0.688 381 F CA 0.108 58.152 58.000 0.074 0.000 1.286 381 F CB -1.700 37.345 39.000 0.075 0.000 1.612 381 F HN 0.063 nan 8.300 nan 0.000 0.335 382 N N 1.016 119.794 118.700 0.131 0.000 2.520 382 N HA 0.464 5.204 4.740 -0.000 0.000 0.273 382 N C -0.094 175.440 175.510 0.040 0.000 1.155 382 N CA 0.047 53.147 53.050 0.082 0.000 0.967 382 N CB 1.462 39.969 38.487 0.032 0.000 1.092 382 N HN -0.030 nan 8.380 nan 0.000 0.457 383 V N 1.964 121.902 119.914 0.039 0.000 2.513 383 V HA 0.331 4.451 4.120 -0.000 0.000 0.299 383 V C 0.080 176.111 176.094 -0.104 0.000 1.035 383 V CA -0.941 61.347 62.300 -0.021 0.000 0.889 383 V CB 1.684 33.542 31.823 0.057 0.000 0.988 383 V HN 0.631 nan 8.190 nan 0.000 0.440 384 N N 3.355 121.976 118.700 -0.132 0.000 2.407 384 N HA 0.693 5.433 4.740 -0.000 0.000 0.277 384 N C -0.800 174.610 175.510 -0.166 0.000 0.995 384 N CA -0.410 52.558 53.050 -0.136 0.000 0.903 384 N CB 1.857 40.288 38.487 -0.094 0.000 1.218 384 N HN 0.617 nan 8.380 nan 0.000 0.487 388 G N 0.412 109.211 108.800 -0.002 0.000 2.532 388 G HA2 0.527 4.487 3.960 -0.000 0.000 0.291 388 G HA3 0.527 4.487 3.960 -0.000 0.000 0.291 388 G C 1.254 176.158 174.900 0.007 0.000 1.349 388 G CA -0.079 45.018 45.100 -0.005 0.000 1.038 388 G HN 1.437 nan 8.290 nan 0.000 0.518 389 S N 0.156 115.857 115.700 0.002 0.000 2.370 389 S HA -0.210 4.260 4.470 -0.000 0.000 0.226 389 S C 1.590 176.196 174.600 0.010 0.000 1.033 389 S CA 1.977 60.183 58.200 0.010 0.000 1.011 389 S CB -0.433 62.770 63.200 0.004 0.000 0.852 389 S HN 0.681 nan 8.310 nan 0.000 0.457 390 D N 1.115 121.507 120.400 -0.013 0.000 2.371 390 D HA 0.190 4.830 4.640 -0.000 0.000 0.234 390 D C 1.438 177.686 176.300 -0.086 0.000 1.049 390 D CA 0.673 54.645 54.000 -0.046 0.000 0.907 390 D CB -1.061 39.708 40.800 -0.052 0.000 0.891 390 D HN 0.653 nan 8.370 nan 0.000 0.531 391 G N -0.503 108.286 108.800 -0.018 0.000 2.189 391 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.267 391 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.267 391 G C 0.275 175.162 174.900 -0.022 0.000 0.975 391 G CA 0.398 45.511 45.100 0.021 0.000 0.644 391 G HN 0.431 nan 8.290 nan 0.000 0.537 392 V N 2.236 122.121 119.914 -0.048 0.000 2.508 392 V HA 0.338 4.458 4.120 -0.000 0.000 0.281 392 V C 1.474 177.559 176.094 -0.016 0.000 1.041 392 V CA -0.513 61.763 62.300 -0.041 0.000 1.016 392 V CB 1.265 33.060 31.823 -0.046 0.000 0.984 392 V HN 0.332 nan 8.190 nan 0.000 0.478 393 I N 6.421 126.984 120.570 -0.011 0.000 2.710 393 I HA 0.115 4.285 4.170 -0.000 0.000 0.286 393 I C 1.288 177.396 176.117 -0.015 0.000 1.181 393 I CA 0.690 61.983 61.300 -0.012 0.000 1.430 393 I CB 0.249 38.239 38.000 -0.016 0.000 1.367 393 I HN 0.864 nan 8.210 nan 0.000 0.577 394 R N 3.317 123.808 120.500 -0.015 0.000 2.320 394 R HA 0.183 4.523 4.340 -0.000 0.000 0.218 394 R C 0.175 176.470 176.300 -0.009 0.000 0.694 394 R CA 0.000 56.094 56.100 -0.010 0.000 0.936 394 R CB -0.671 29.625 30.300 -0.007 0.000 1.574 394 R HN 0.639 nan 8.270 nan 0.000 0.463 395 G N 1.234 110.023 108.800 -0.019 0.000 2.849 395 G HA2 0.774 4.734 3.960 -0.000 0.000 0.174 395 G HA3 0.774 4.734 3.960 -0.000 0.000 0.174 395 G C -0.876 174.006 174.900 -0.030 0.000 1.370 395 G CA -0.200 44.886 45.100 -0.022 0.000 1.040 395 G HN 0.396 nan 8.290 nan 0.000 0.582 396 A N -1.929 120.866 122.820 -0.043 0.000 2.565 396 A HA 0.589 4.909 4.320 -0.000 0.000 0.298 396 A C 0.471 178.005 177.584 -0.084 0.000 1.062 396 A CA 0.591 52.590 52.037 -0.064 0.000 0.723 396 A CB 1.000 19.974 19.000 -0.043 0.000 1.282 396 A HN 1.049 nan 8.150 nan 0.000 0.400 397 S N 1.330 116.956 115.700 -0.124 0.000 2.371 397 S HA 0.294 4.764 4.470 -0.000 0.000 0.224 397 S C 1.598 176.107 174.600 -0.150 0.000 1.029 397 S CA 2.490 60.611 58.200 -0.132 0.000 0.978 397 S CB -0.824 62.288 63.200 -0.146 0.000 0.833 397 S HN 2.751 nan 8.310 nan 0.000 0.466 398 G N 0.272 108.878 108.800 -0.323 0.000 2.627 398 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.312 398 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.312 398 G C 0.658 175.317 174.900 -0.403 0.000 1.299 398 G CA 0.194 44.978 45.100 -0.526 0.000 0.989 398 G HN 1.177 nan 8.290 nan 0.000 0.547 399 G N -1.519 107.317 108.800 0.060 0.000 3.393 399 G HA2 0.347 4.307 3.960 -0.000 0.000 0.255 399 G HA3 0.347 4.307 3.960 -0.000 0.000 0.255 399 G C 1.038 176.020 174.900 0.137 0.000 1.097 399 G CA 1.236 46.447 45.100 0.184 0.000 0.780 399 G HN 0.812 nan 8.290 nan 0.000 0.540 400 H N 1.243 120.335 119.070 0.036 0.000 2.257 400 H HA -0.235 4.321 4.556 -0.000 0.000 0.292 400 H C 2.738 178.092 175.328 0.043 0.000 1.075 400 H CA 2.345 58.420 56.048 0.045 0.000 1.212 400 H CB -0.625 29.153 29.762 0.026 0.000 1.354 400 H HN 0.430 nan 8.280 nan 0.000 0.497 401 C N 0.768 120.215 119.300 0.245 0.000 2.419 401 C HA -0.036 4.424 4.460 -0.000 0.000 0.283 401 C C 2.229 177.254 174.990 0.057 0.000 1.373 401 C CA 0.552 59.675 59.018 0.175 0.000 1.781 401 C CB -0.546 27.264 27.740 0.116 0.000 1.886 401 C HN 0.436 nan 8.230 nan 0.000 0.520 402 D N 1.805 122.203 120.400 -0.004 0.000 2.075 402 D HA -0.109 4.531 4.640 -0.000 0.000 0.196 402 D C 2.617 178.934 176.300 0.028 0.000 0.985 402 D CA 2.949 56.923 54.000 -0.044 0.000 0.834 402 D CB -0.717 40.032 40.800 -0.085 0.000 0.987 402 D HN 0.740 nan 8.370 nan 0.000 0.452 403 T N -0.491 114.071 114.554 0.013 0.000 2.821 403 T HA 0.020 4.370 4.350 -0.000 0.000 0.267 403 T C 2.122 176.845 174.700 0.037 0.000 1.046 403 T CA 1.603 63.714 62.100 0.019 0.000 1.139 403 T CB -0.349 68.537 68.868 0.031 0.000 0.871 403 T HN 0.082 nan 8.240 nan 0.000 0.454 404 A N 0.757 123.599 122.820 0.037 0.000 1.997 404 A HA 0.000 4.320 4.320 -0.000 0.000 0.221 404 A C 2.044 179.690 177.584 0.103 0.000 1.172 404 A CA 1.792 53.858 52.037 0.048 0.000 0.645 404 A CB -1.110 17.941 19.000 0.085 0.000 0.813 404 A HN 0.651 nan 8.150 nan 0.000 0.454 405 F N 0.203 120.162 119.950 0.015 0.000 2.179 405 F HA 0.213 4.740 4.527 -0.000 0.000 0.292 405 F C 2.484 178.284 175.800 -0.001 0.000 1.089 405 F CA 1.048 59.064 58.000 0.026 0.000 1.295 405 F CB -0.419 38.611 39.000 0.050 0.000 1.041 405 F HN 0.221 nan 8.300 nan 0.000 0.487 406 A N 1.341 124.214 122.820 0.089 0.000 1.902 406 A HA 0.137 4.457 4.320 -0.000 0.000 0.217 406 A C 1.647 179.158 177.584 -0.122 0.000 1.181 406 A CA 0.799 52.821 52.037 -0.026 0.000 0.623 406 A CB -1.662 17.381 19.000 0.071 0.000 0.818 406 A HN 0.473 nan 8.150 nan 0.000 0.443 407 A N 0.653 123.421 122.820 -0.086 0.000 2.561 407 A HA 0.340 4.660 4.320 -0.000 0.000 0.234 407 A C 0.597 178.062 177.584 -0.198 0.000 1.055 407 A CA -0.117 51.852 52.037 -0.113 0.000 0.756 407 A CB 0.127 19.082 19.000 -0.076 0.000 0.986 407 A HN 0.397 nan 8.150 nan 0.000 0.505 411 L N 2.956 124.200 121.223 0.036 0.000 2.313 411 L HA 0.696 5.036 4.340 -0.000 0.000 0.283 411 L C -0.666 176.243 176.870 0.065 0.000 1.013 411 L CA -0.398 54.477 54.840 0.057 0.000 0.816 411 L CB 1.834 43.921 42.059 0.047 0.000 1.236 411 L HN 0.524 nan 8.230 nan 0.000 0.419 412 V N 5.463 125.442 119.914 0.109 0.000 2.304 412 V HA 0.433 4.553 4.120 -0.000 0.000 0.278 412 V C -0.034 176.144 176.094 0.140 0.000 1.018 412 V CA -0.548 61.829 62.300 0.128 0.000 0.814 412 V CB 1.132 33.062 31.823 0.179 0.000 1.021 412 V HN 0.615 nan 8.190 nan 0.000 0.440 413 I N 2.083 122.720 120.570 0.112 0.000 2.437 413 I HA 0.964 5.134 4.170 -0.000 0.000 0.298 413 I C -0.215 175.971 176.117 0.115 0.000 0.984 413 I CA -0.045 61.325 61.300 0.117 0.000 1.214 413 I CB 2.027 40.076 38.000 0.082 0.000 1.365 413 I HN 0.555 nan 8.210 nan 0.000 0.469 414 S N 5.718 121.506 115.700 0.146 0.000 2.604 414 S HA 0.416 4.886 4.470 -0.000 0.000 0.296 414 S C -2.993 171.716 174.600 0.182 0.000 1.097 414 S CA -0.800 57.471 58.200 0.118 0.000 0.883 414 S CB 1.666 64.889 63.200 0.037 0.000 1.081 414 S HN 0.723 nan 8.310 nan 0.000 0.448 415 P HA 0.060 nan 4.420 nan 0.000 0.267 415 P C 0.958 178.402 177.300 0.239 0.000 1.201 415 P CA -0.320 62.866 63.100 0.142 0.000 0.775 415 P CB 0.427 32.178 31.700 0.086 0.000 0.854 416 L N 3.075 124.433 121.223 0.225 0.000 2.079 416 L HA -0.075 4.265 4.340 -0.000 0.000 0.210 416 L C 0.752 177.773 176.870 0.251 0.000 1.081 416 L CA 1.878 56.886 54.840 0.281 0.000 0.752 416 L CB -0.038 42.080 42.059 0.099 0.000 0.896 416 L HN 0.208 nan 8.230 nan 0.000 0.433 417 V N -0.945 119.051 119.914 0.137 0.000 3.087 417 V HA 0.424 4.544 4.120 -0.000 0.000 0.306 417 V C -0.585 175.542 176.094 0.055 0.000 1.187 417 V CA -0.920 61.433 62.300 0.088 0.000 0.999 417 V CB 2.322 34.184 31.823 0.064 0.000 1.049 417 V HN 0.012 nan 8.190 nan 0.000 0.431 418 R N 1.863 122.384 120.500 0.035 0.000 2.371 418 R HA 0.580 4.920 4.340 -0.000 0.000 0.312 418 R C 0.763 177.073 176.300 0.017 0.000 0.980 418 R CA 0.324 56.439 56.100 0.024 0.000 0.867 418 R CB 1.416 31.726 30.300 0.016 0.000 1.163 418 R HN 1.193 nan 8.270 nan 0.000 0.492 419 G N 2.644 111.453 108.800 0.015 0.000 2.602 419 G HA2 -0.364 3.596 3.960 -0.000 0.000 0.310 419 G HA3 -0.364 3.596 3.960 -0.000 0.000 0.310 419 G C 0.640 175.544 174.900 0.006 0.000 1.183 419 G CA -0.061 45.045 45.100 0.009 0.000 0.979 419 G HN 0.497 nan 8.290 nan 0.000 0.545 420 R N 0.500 121.001 120.500 0.002 0.000 2.393 420 R HA 0.383 4.723 4.340 -0.000 0.000 0.244 420 R C 0.574 176.875 176.300 0.003 0.000 0.920 420 R CA 0.068 56.167 56.100 -0.002 0.000 1.076 420 R CB -0.065 30.232 30.300 -0.006 0.000 1.119 420 R HN 0.540 nan 8.270 nan 0.000 0.524 421 I N 3.462 124.037 120.570 0.008 0.000 2.354 421 I HA 0.243 4.413 4.170 -0.000 0.000 0.292 421 I C -2.137 173.992 176.117 0.021 0.000 0.989 421 I CA -2.261 59.045 61.300 0.011 0.000 1.188 421 I CB 2.048 40.051 38.000 0.005 0.000 1.342 421 I HN -0.273 nan 8.210 nan 0.000 0.457 422 P HA 0.155 nan 4.420 nan 0.000 0.285 422 P C 0.070 177.384 177.300 0.023 0.000 1.259 422 P CA -0.265 62.872 63.100 0.061 0.000 0.794 422 P CB 1.540 33.291 31.700 0.085 0.000 0.940 423 T N 1.836 116.405 114.554 0.025 0.000 3.043 423 T HA 0.119 4.469 4.350 -0.000 0.000 0.263 423 T C 0.260 174.686 174.700 -0.457 0.000 1.094 423 T CA 1.135 63.115 62.100 -0.199 0.000 1.127 423 T CB -0.332 68.389 68.868 -0.245 0.000 0.905 423 T HN 0.314 nan 8.240 nan 0.000 0.490 424 F N 2.013 121.957 119.950 -0.009 0.000 2.426 424 F HA 0.601 5.127 4.527 -0.000 0.000 0.348 424 F C 0.156 175.946 175.800 -0.017 0.000 1.124 424 F CA -1.407 56.576 58.000 -0.030 0.000 1.008 424 F CB 1.288 40.261 39.000 -0.044 0.000 1.139 424 F HN -0.156 nan 8.300 nan 0.000 0.452 425 V N -1.097 118.865 119.914 0.079 0.000 3.156 425 V HA 0.550 4.670 4.120 -0.000 0.000 0.310 425 V C -0.003 176.105 176.094 0.024 0.000 1.234 425 V CA -0.770 61.562 62.300 0.054 0.000 1.065 425 V CB 2.071 33.908 31.823 0.023 0.000 1.088 425 V HN 0.554 nan 8.190 nan 0.000 0.451 426 D N 0.023 120.428 120.400 0.010 0.000 2.289 426 D HA 0.143 4.783 4.640 -0.000 0.000 0.207 426 D C 0.384 176.676 176.300 -0.014 0.000 0.966 426 D CA 1.221 55.216 54.000 -0.008 0.000 0.868 426 D CB 0.535 41.325 40.800 -0.016 0.000 0.943 426 D HN 0.582 nan 8.370 nan 0.000 0.514 427 K N 0.672 121.062 120.400 -0.015 0.000 2.571 427 K HA 0.204 4.524 4.320 -0.000 0.000 0.252 427 K C -0.937 175.645 176.600 -0.031 0.000 0.956 427 K CA -0.499 55.773 56.287 -0.025 0.000 0.822 427 K CB 2.334 34.818 32.500 -0.027 0.000 1.286 427 K HN -0.193 nan 8.250 nan 0.000 0.439 428 V N 1.259 121.149 119.914 -0.040 0.000 2.732 428 V HA 0.216 4.336 4.120 -0.000 0.000 0.297 428 V C 0.916 176.979 176.094 -0.052 0.000 1.060 428 V CA -0.011 62.261 62.300 -0.047 0.000 1.038 428 V CB 1.321 33.110 31.823 -0.056 0.000 1.003 428 V HN 0.915 nan 8.190 nan 0.000 0.481 429 N N 1.751 120.426 118.700 -0.041 0.000 2.084 429 N HA -0.067 4.673 4.740 -0.000 0.000 0.190 429 N C 0.268 175.736 175.510 -0.070 0.000 1.030 429 N CA 1.655 54.674 53.050 -0.052 0.000 0.849 429 N CB -0.036 38.470 38.487 0.031 0.000 1.012 429 N HN 0.861 nan 8.380 nan 0.000 0.423 430 T N 0.432 114.956 114.554 -0.051 0.000 2.861 430 T HA 0.460 4.810 4.350 -0.000 0.000 0.287 430 T C -0.723 173.938 174.700 -0.064 0.000 1.003 430 T CA -0.663 61.402 62.100 -0.059 0.000 0.977 430 T CB 2.915 71.755 68.868 -0.047 0.000 0.996 430 T HN -0.300 nan 8.240 nan 0.000 0.448 431 V N 3.984 123.859 119.914 -0.064 0.000 2.370 431 V HA 0.335 4.455 4.120 -0.000 0.000 0.283 431 V C 0.084 176.148 176.094 -0.049 0.000 1.023 431 V CA -0.389 61.878 62.300 -0.055 0.000 0.857 431 V CB 1.051 32.844 31.823 -0.050 0.000 0.985 431 V HN 0.801 nan 8.190 nan 0.000 0.443 432 I N 3.022 123.562 120.570 -0.051 0.000 3.300 432 I HA 0.152 4.322 4.170 -0.000 0.000 0.279 432 I C 0.995 177.146 176.117 0.057 0.000 1.172 432 I CA 1.109 62.390 61.300 -0.032 0.000 1.431 432 I CB 0.395 38.329 38.000 -0.110 0.000 1.240 432 I HN 0.566 nan 8.210 nan 0.000 0.453 433 T N 4.038 118.626 114.554 0.057 0.000 2.815 433 T HA 0.375 4.725 4.350 -0.000 0.000 0.289 433 T C -2.654 172.130 174.700 0.140 0.000 1.000 433 T CA -1.294 60.914 62.100 0.181 0.000 0.958 433 T CB 1.997 71.046 68.868 0.301 0.000 0.944 433 T HN -0.103 nan 8.240 nan 0.000 0.442 434 P HA 0.128 nan 4.420 nan 0.000 0.271 434 P C 1.132 178.511 177.300 0.131 0.000 1.216 434 P CA -0.093 63.047 63.100 0.068 0.000 0.776 434 P CB 0.822 32.505 31.700 -0.028 0.000 0.881 435 G N 2.553 111.438 108.800 0.143 0.000 2.450 435 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.220 435 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.220 435 G C 1.332 176.312 174.900 0.133 0.000 1.130 435 G CA 1.389 46.621 45.100 0.220 0.000 0.760 435 G HN 0.619 nan 8.290 nan 0.000 0.557 436 T N -1.887 112.724 114.554 0.096 0.000 3.052 436 T HA 0.001 4.351 4.350 -0.000 0.000 0.270 436 T C 2.123 176.873 174.700 0.083 0.000 1.147 436 T CA 1.564 63.704 62.100 0.067 0.000 1.089 436 T CB -0.061 68.853 68.868 0.078 0.000 0.875 436 T HN 0.148 nan 8.240 nan 0.000 0.541 437 S N -0.131 115.646 115.700 0.127 0.000 2.512 437 S HA 0.330 4.800 4.470 -0.000 0.000 0.216 437 S C 0.435 175.090 174.600 0.092 0.000 1.006 437 S CA -0.450 57.834 58.200 0.140 0.000 0.915 437 S CB 0.432 63.781 63.200 0.248 0.000 0.824 437 S HN 0.380 nan 8.310 nan 0.000 0.497 438 V N 3.178 123.151 119.914 0.099 0.000 2.383 438 V HA 0.267 4.387 4.120 -0.000 0.000 0.275 438 V C 0.280 176.364 176.094 -0.016 0.000 1.036 438 V CA -0.336 62.030 62.300 0.109 0.000 0.889 438 V CB 1.416 33.395 31.823 0.260 0.000 0.985 438 V HN 0.246 nan 8.190 nan 0.000 0.459 439 D N 2.956 123.352 120.400 -0.006 0.000 2.269 439 D HA 0.111 4.751 4.640 -0.000 0.000 0.220 439 D C 0.220 176.508 176.300 -0.020 0.000 0.962 439 D CA 1.152 55.123 54.000 -0.049 0.000 0.884 439 D CB 0.973 41.775 40.800 0.004 0.000 1.023 439 D HN 0.379 nan 8.370 nan 0.000 0.484 440 V N 1.513 121.469 119.914 0.071 0.000 2.760 440 V HA 0.329 4.449 4.120 -0.000 0.000 0.309 440 V C -0.242 175.950 176.094 0.164 0.000 1.077 440 V CA -0.838 61.526 62.300 0.107 0.000 0.910 440 V CB 2.865 34.722 31.823 0.057 0.000 1.008 440 V HN -0.224 nan 8.190 nan 0.000 0.424 441 V N 4.761 124.811 119.914 0.227 0.000 2.459 441 V HA 0.595 4.715 4.120 -0.000 0.000 0.295 441 V C -0.367 175.800 176.094 0.123 0.000 1.029 441 V CA -0.505 61.935 62.300 0.235 0.000 0.874 441 V CB 2.045 34.072 31.823 0.340 0.000 0.985 441 V HN 0.637 nan 8.190 nan 0.000 0.438 442 V N 4.360 124.346 119.914 0.120 0.000 2.540 442 V HA 0.748 4.868 4.120 -0.000 0.000 0.302 442 V C 0.220 176.384 176.094 0.116 0.000 1.035 442 V CA -0.257 62.082 62.300 0.065 0.000 0.873 442 V CB 1.940 33.792 31.823 0.048 0.000 0.992 442 V HN 1.061 nan 8.190 nan 0.000 0.428 443 T N 0.036 114.632 114.554 0.071 0.000 2.693 443 T HA 0.426 4.776 4.350 -0.000 0.000 0.278 443 T C 0.635 175.412 174.700 0.129 0.000 0.994 443 T CA -0.209 61.948 62.100 0.095 0.000 1.033 443 T CB 1.941 70.798 68.868 -0.018 0.000 1.342 443 T HN 0.628 nan 8.240 nan 0.000 0.538 444 E N 0.257 120.522 120.200 0.108 0.000 2.481 444 E HA 0.044 4.394 4.350 -0.000 0.000 0.195 444 E C 1.186 177.882 176.600 0.159 0.000 1.047 444 E CA 0.444 56.925 56.400 0.136 0.000 0.867 444 E CB -0.262 29.474 29.700 0.060 0.000 0.858 444 E HN 0.412 nan 8.360 nan 0.000 0.513 445 V N -0.060 119.889 119.914 0.059 0.000 3.644 445 V HA 0.353 4.473 4.120 -0.000 0.000 0.267 445 V C 1.050 177.093 176.094 -0.086 0.000 1.277 445 V CA 0.577 62.875 62.300 -0.002 0.000 1.096 445 V CB 0.281 32.068 31.823 -0.060 0.000 0.828 445 V HN 0.550 nan 8.190 nan 0.000 0.446 446 G N -0.079 108.628 108.800 -0.154 0.000 2.350 446 G HA2 0.245 4.205 3.960 -0.000 0.000 0.282 446 G HA3 0.245 4.205 3.960 -0.000 0.000 0.282 446 G C -1.940 172.791 174.900 -0.281 0.000 1.314 446 G CA -0.697 44.192 45.100 -0.353 0.000 0.915 446 G HN -0.083 nan 8.290 nan 0.000 0.499 447 I N 1.214 121.615 120.570 -0.283 0.000 2.460 447 I HA 0.746 4.916 4.170 -0.000 0.000 0.298 447 I C 0.621 176.680 176.117 -0.096 0.000 0.989 447 I CA -0.589 60.600 61.300 -0.184 0.000 1.173 447 I CB 1.828 39.681 38.000 -0.246 0.000 1.338 447 I HN 1.166 nan 8.210 nan 0.000 0.456 448 A N 7.541 130.360 122.820 -0.002 0.000 2.363 448 A HA 0.708 5.028 4.320 -0.000 0.000 0.296 448 A C -0.612 177.100 177.584 0.214 0.000 1.237 448 A CA -0.435 51.663 52.037 0.102 0.000 0.773 448 A CB 0.085 19.147 19.000 0.104 0.000 1.153 448 A HN 0.575 nan 8.150 nan 0.000 0.473 449 I N 2.554 123.209 120.570 0.142 0.000 2.371 449 I HA 0.117 4.287 4.170 -0.000 0.000 0.290 449 I C 0.484 176.594 176.117 -0.012 0.000 1.028 449 I CA -0.693 60.659 61.300 0.087 0.000 1.345 449 I CB 0.940 39.001 38.000 0.101 0.000 1.407 449 I HN 0.627 nan 8.210 nan 0.000 0.501 450 N N 9.536 128.037 118.700 -0.332 0.000 2.440 450 N HA 0.018 4.758 4.740 -0.000 0.000 0.265 450 N C -1.368 173.970 175.510 -0.288 0.000 1.239 450 N CA -1.297 51.287 53.050 -0.776 0.000 0.909 450 N CB 1.097 38.997 38.487 -0.979 0.000 1.066 450 N HN 0.384 nan 8.380 nan 0.000 0.474 451 P HA -0.132 nan 4.420 nan 0.000 0.226 451 P C 0.586 177.850 177.300 -0.060 0.000 1.146 451 P CA 0.903 63.975 63.100 -0.046 0.000 0.773 451 P CB 0.332 32.040 31.700 0.014 0.000 0.772 452 N N -0.023 118.608 118.700 -0.114 0.000 2.550 452 N HA -0.071 4.669 4.740 -0.000 0.000 0.186 452 N C 0.517 175.987 175.510 -0.065 0.000 1.110 452 N CA 0.422 53.424 53.050 -0.080 0.000 0.912 452 N CB -0.095 38.331 38.487 -0.101 0.000 0.968 452 N HN -0.155 nan 8.380 nan 0.000 0.448 453 R N 0.371 120.828 120.500 -0.072 0.000 3.057 453 R HA 0.236 4.576 4.340 -0.000 0.000 0.291 453 R C -1.923 174.368 176.300 -0.015 0.000 1.394 453 R CA -1.735 54.342 56.100 -0.038 0.000 1.630 453 R CB 0.700 30.982 30.300 -0.029 0.000 1.268 453 R HN 0.286 nan 8.270 nan 0.000 0.621 454 P HA -0.175 nan 4.420 nan 0.000 0.219 454 P C 0.588 177.886 177.300 -0.004 0.000 1.146 454 P CA 1.159 64.257 63.100 -0.003 0.000 0.808 454 P CB 0.340 32.038 31.700 -0.004 0.000 0.779 455 D N -0.392 119.998 120.400 -0.018 0.000 2.219 455 D HA -0.119 4.521 4.640 -0.000 0.000 0.205 455 D C 1.800 178.067 176.300 -0.055 0.000 0.970 455 D CA 0.713 54.691 54.000 -0.036 0.000 0.851 455 D CB -0.802 39.963 40.800 -0.059 0.000 0.943 455 D HN 0.120 nan 8.370 nan 0.000 0.488 456 L N 0.464 121.667 121.223 -0.034 0.000 2.162 456 L HA 0.176 4.516 4.340 -0.000 0.000 0.205 456 L C 2.560 179.472 176.870 0.069 0.000 1.086 456 L CA 0.544 55.359 54.840 -0.041 0.000 0.778 456 L CB -0.463 41.655 42.059 0.099 0.000 0.928 456 L HN -0.013 nan 8.230 nan 0.000 0.446 457 I N -0.067 120.555 120.570 0.086 0.000 2.264 457 I HA -0.324 3.846 4.170 -0.000 0.000 0.248 457 I C 2.445 178.608 176.117 0.077 0.000 1.111 457 I CA 1.601 62.964 61.300 0.105 0.000 1.382 457 I CB -0.173 37.863 38.000 0.060 0.000 1.060 457 I HN 0.433 nan 8.210 nan 0.000 0.418 458 E N 0.338 120.558 120.200 0.032 0.000 2.028 458 E HA -0.280 4.070 4.350 -0.000 0.000 0.190 458 E C 2.293 178.880 176.600 -0.021 0.000 0.984 458 E CA 1.097 57.501 56.400 0.007 0.000 0.800 458 E CB -0.808 28.891 29.700 -0.002 0.000 0.758 458 E HN 0.432 nan 8.360 nan 0.000 0.448 459 Y N 0.170 120.348 120.300 -0.202 0.000 2.256 459 Y HA -0.176 4.374 4.550 -0.000 0.000 0.288 459 Y C 1.241 176.961 175.900 -0.301 0.000 1.155 459 Y CA 1.542 59.444 58.100 -0.331 0.000 1.203 459 Y CB 0.048 38.167 38.460 -0.569 0.000 0.980 459 Y HN 0.042 nan 8.280 nan 0.000 0.530 460 F N 0.180 120.186 119.950 0.094 0.000 2.727 460 F HA 0.121 4.648 4.527 0.000 0.000 0.302 460 F C 1.903 177.689 175.800 -0.024 0.000 1.097 460 F CA -0.027 57.991 58.000 0.029 0.000 1.330 460 F CB -0.545 38.483 39.000 0.046 0.000 1.084 460 F HN 0.034 nan 8.300 nan 0.000 0.578 461 K N -0.151 120.311 120.400 0.102 0.000 2.077 461 K HA -0.237 4.083 4.320 -0.000 0.000 0.213 461 K C 0.674 177.290 176.600 0.027 0.000 1.051 461 K CA 2.373 58.687 56.287 0.046 0.000 0.929 461 K CB -0.394 32.105 32.500 -0.001 0.000 0.715 461 K HN 0.058 nan 8.250 nan 0.000 0.451 462 D N 0.593 120.997 120.400 0.007 0.000 2.339 462 D HA 0.082 4.722 4.640 -0.000 0.000 0.217 462 D C 0.194 176.501 176.300 0.011 0.000 1.050 462 D CA -0.066 53.931 54.000 -0.006 0.000 0.856 462 D CB 0.058 40.837 40.800 -0.036 0.000 0.922 462 D HN 0.214 nan 8.370 nan 0.000 0.518 463 L N 1.690 122.947 121.223 0.057 0.000 2.584 463 L HA -0.052 4.288 4.340 -0.000 0.000 0.272 463 L C 0.326 177.186 176.870 -0.016 0.000 1.195 463 L CA 0.134 55.003 54.840 0.047 0.000 0.920 463 L CB 0.369 42.475 42.059 0.079 0.000 1.173 463 L HN -0.381 nan 8.230 nan 0.000 0.489 464 K N 5.608 125.996 120.400 -0.020 0.000 2.121 464 K HA 0.271 4.591 4.320 -0.000 0.000 0.235 464 K C -1.074 175.496 176.600 -0.051 0.000 1.200 464 K CA 0.046 56.316 56.287 -0.028 0.000 1.115 464 K CB -0.154 32.341 32.500 -0.009 0.000 1.474 464 K HN 0.369 nan 8.250 nan 0.000 0.295 465 V N 3.396 123.242 119.914 -0.113 0.000 2.852 465 V HA 0.180 4.300 4.120 -0.000 0.000 0.300 465 V C -2.391 173.547 176.094 -0.260 0.000 1.205 465 V CA -1.810 60.346 62.300 -0.241 0.000 0.940 465 V CB 2.568 34.173 31.823 -0.363 0.000 1.047 465 V HN 0.413 nan 8.190 nan 0.000 0.429 466 P HA 0.126 nan 4.420 nan 0.000 0.263 466 P C -1.041 176.125 177.300 -0.223 0.000 1.195 466 P CA 0.165 63.138 63.100 -0.212 0.000 0.762 466 P CB 0.499 32.088 31.700 -0.185 0.000 0.799 467 Q N 2.070 121.785 119.800 -0.141 0.000 2.337 467 Q HA 0.622 4.962 4.340 -0.000 0.000 0.266 467 Q C -0.490 175.464 176.000 -0.077 0.000 1.023 467 Q CA -0.806 54.931 55.803 -0.111 0.000 0.829 467 Q CB 1.700 30.396 28.738 -0.070 0.000 1.306 467 Q HN 0.325 nan 8.270 nan 0.000 0.449 468 L N -0.256 120.926 121.223 -0.068 0.000 2.357 468 L HA 0.585 4.925 4.340 -0.000 0.000 0.244 468 L C 0.048 176.909 176.870 -0.015 0.000 1.115 468 L CA -0.915 53.894 54.840 -0.052 0.000 0.919 468 L CB 1.327 43.334 42.059 -0.087 0.000 1.532 468 L HN 0.670 nan 8.230 nan 0.000 0.416 469 T N -2.474 112.072 114.554 -0.013 0.000 2.934 469 T HA 0.404 4.754 4.350 -0.000 0.000 0.283 469 T C 0.889 175.574 174.700 -0.025 0.000 1.005 469 T CA -0.393 61.724 62.100 0.029 0.000 1.041 469 T CB 1.032 69.916 68.868 0.027 0.000 1.042 469 T HN 0.477 nan 8.240 nan 0.000 0.505 470 I N 0.991 121.550 120.570 -0.018 0.000 2.335 470 I HA -0.066 4.104 4.170 -0.000 0.000 0.251 470 I C 2.048 178.078 176.117 -0.144 0.000 1.129 470 I CA 1.573 62.747 61.300 -0.209 0.000 1.402 470 I CB -0.679 36.954 38.000 -0.610 0.000 1.069 470 I HN 0.790 nan 8.210 nan 0.000 0.424 471 E N 0.501 120.657 120.200 -0.073 0.000 2.110 471 E HA -0.206 4.144 4.350 -0.000 0.000 0.193 471 E C 2.117 178.680 176.600 -0.061 0.000 0.988 471 E CA 1.442 57.810 56.400 -0.053 0.000 0.804 471 E CB -0.258 29.426 29.700 -0.026 0.000 0.745 471 E HN 0.585 nan 8.360 nan 0.000 0.458 472 E N 0.135 120.293 120.200 -0.069 0.000 2.150 472 E HA -0.114 4.236 4.350 -0.000 0.000 0.193 472 E C 1.991 178.522 176.600 -0.115 0.000 0.985 472 E CA 0.561 56.917 56.400 -0.074 0.000 0.814 472 E CB -0.070 29.590 29.700 -0.067 0.000 0.752 472 E HN 0.242 nan 8.360 nan 0.000 0.466 473 L N 1.116 122.220 121.223 -0.199 0.000 2.056 473 L HA -0.174 4.166 4.340 -0.000 0.000 0.207 473 L C 2.669 179.410 176.870 -0.216 0.000 1.078 473 L CA 0.950 55.577 54.840 -0.356 0.000 0.749 473 L CB -0.410 41.205 42.059 -0.740 0.000 0.901 473 L HN 0.060 nan 8.230 nan 0.000 0.433 474 K N 0.998 121.349 120.400 -0.083 0.000 2.026 474 K HA -0.204 4.116 4.320 -0.000 0.000 0.208 474 K C 1.826 178.465 176.600 0.065 0.000 1.048 474 K CA 1.755 58.074 56.287 0.054 0.000 0.929 474 K CB -0.053 32.473 32.500 0.044 0.000 0.713 474 K HN 0.374 nan 8.250 nan 0.000 0.439 475 E N 0.437 120.651 120.200 0.022 0.000 2.077 475 E HA -0.204 4.146 4.350 -0.000 0.000 0.193 475 E C 1.998 178.656 176.600 0.098 0.000 0.989 475 E CA 1.320 57.756 56.400 0.059 0.000 0.800 475 E CB -0.072 29.632 29.700 0.008 0.000 0.746 475 E HN 0.117 nan 8.360 nan 0.000 0.452 476 K N 0.903 121.317 120.400 0.024 0.000 2.209 476 K HA -0.092 4.228 4.320 -0.000 0.000 0.204 476 K C 1.648 178.267 176.600 0.032 0.000 1.048 476 K CA 1.215 57.506 56.287 0.006 0.000 0.940 476 K CB -0.107 32.358 32.500 -0.059 0.000 0.729 476 K HN 0.137 nan 8.250 nan 0.000 0.451 477 A N -0.645 122.215 122.820 0.066 0.000 1.878 477 A HA -0.050 4.270 4.320 -0.000 0.000 0.213 477 A C 2.072 179.721 177.584 0.108 0.000 1.192 477 A CA 0.975 53.072 52.037 0.101 0.000 0.619 477 A CB -0.929 18.175 19.000 0.172 0.000 0.837 477 A HN 0.492 nan 8.150 nan 0.000 0.446 478 Y N 1.045 121.361 120.300 0.026 0.000 2.256 478 Y HA -0.073 4.478 4.550 0.000 0.000 0.288 478 Y C 2.114 178.021 175.900 0.012 0.000 1.155 478 Y CA 1.133 59.244 58.100 0.019 0.000 1.203 478 Y CB -0.252 38.216 38.460 0.014 0.000 0.980 478 Y HN 0.263 nan 8.280 nan 0.000 0.530 479 A N -0.443 122.391 122.820 0.024 0.000 2.252 479 A HA 0.126 4.446 4.320 -0.000 0.000 0.207 479 A C 1.731 179.256 177.584 -0.097 0.000 1.194 479 A CA 1.044 53.043 52.037 -0.063 0.000 0.809 479 A CB -0.840 18.190 19.000 0.050 0.000 0.814 479 A HN 0.632 nan 8.150 nan 0.000 0.482 480 I N -1.553 118.960 120.570 -0.095 0.000 3.673 480 I HA 0.006 4.176 4.170 -0.000 0.000 0.281 480 I C 1.466 177.531 176.117 -0.086 0.000 1.182 480 I CA 0.743 62.004 61.300 -0.065 0.000 1.391 480 I CB 0.600 38.589 38.000 -0.018 0.000 1.383 480 I HN 0.132 nan 8.210 nan 0.000 0.456 481 V N -1.404 118.452 119.914 -0.097 0.000 3.276 481 V HA 0.628 4.748 4.120 -0.000 0.000 0.319 481 V C 0.782 176.790 176.094 -0.143 0.000 1.427 481 V CA -0.086 62.162 62.300 -0.087 0.000 1.102 481 V CB -0.694 31.110 31.823 -0.033 0.000 1.020 481 V HN 0.452 nan 8.190 nan 0.000 0.456 482 G N 1.562 110.175 108.800 -0.310 0.000 2.915 482 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.337 482 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.337 482 G C -0.244 174.545 174.900 -0.184 0.000 1.477 482 G CA 0.132 44.940 45.100 -0.487 0.000 0.916 482 G HN 0.730 nan 8.290 nan 0.000 0.550 483 N N 1.608 120.331 118.700 0.040 0.000 2.447 483 N HA 0.230 4.970 4.740 -0.000 0.000 0.263 483 N C -1.211 174.367 175.510 0.113 0.000 1.226 483 N CA -0.464 52.754 53.050 0.280 0.000 0.906 483 N CB 0.407 39.109 38.487 0.358 0.000 1.060 483 N HN 0.543 nan 8.380 nan 0.000 0.468 484 P HA 0.011 nan 4.420 nan 0.000 0.268 484 P C -0.608 176.726 177.300 0.056 0.000 1.205 484 P CA -0.239 62.896 63.100 0.058 0.000 0.771 484 P CB 0.618 32.351 31.700 0.056 0.000 0.858 485 Q N 3.897 123.721 119.800 0.040 0.000 2.296 485 Q HA 0.247 4.587 4.340 -0.000 0.000 0.263 485 Q C -2.075 173.952 176.000 0.044 0.000 1.026 485 Q CA -1.561 54.265 55.803 0.038 0.000 0.912 485 Q CB -0.812 27.941 28.738 0.024 0.000 1.198 485 Q HN 0.315 nan 8.270 nan 0.000 0.407 486 P HA -0.059 nan 4.420 nan 0.000 0.266 486 P C -0.939 176.407 177.300 0.078 0.000 1.180 486 P CA 0.261 63.406 63.100 0.075 0.000 0.765 486 P CB 0.391 32.132 31.700 0.068 0.000 0.806 487 I N 0.950 121.599 120.570 0.132 0.000 2.664 487 I HA 0.203 4.373 4.170 -0.000 0.000 0.308 487 I C 0.463 176.626 176.117 0.077 0.000 0.984 487 I CA -0.495 60.837 61.300 0.053 0.000 1.213 487 I CB 0.584 38.555 38.000 -0.048 0.000 1.379 487 I HN 0.138 nan 8.210 nan 0.000 0.501 488 Q N 3.667 123.431 119.800 -0.059 0.000 2.441 488 Q HA 0.322 4.662 4.340 -0.000 0.000 0.234 488 Q C -1.379 174.565 176.000 -0.093 0.000 1.078 488 Q CA -0.204 55.589 55.803 -0.016 0.000 0.907 488 Q CB 0.321 29.039 28.738 -0.033 0.000 1.269 488 Q HN 0.447 nan 8.270 nan 0.000 0.502 489 Y N -0.142 120.157 120.300 -0.001 0.000 2.320 489 Y HA 0.518 5.068 4.550 -0.000 0.000 0.324 489 Y C 1.306 177.207 175.900 0.002 0.000 1.190 489 Y CA -0.224 57.875 58.100 -0.001 0.000 1.215 489 Y CB 1.147 39.606 38.460 -0.002 0.000 1.221 489 Y HN 0.574 nan 8.280 nan 0.000 0.486 490 G N 0.291 109.177 108.800 0.143 0.000 2.531 490 G HA2 0.094 4.054 3.960 -0.000 0.000 0.253 490 G HA3 0.094 4.054 3.960 -0.000 0.000 0.253 490 G C -0.024 174.934 174.900 0.097 0.000 1.439 490 G CA -0.318 44.835 45.100 0.088 0.000 1.056 490 G HN 0.664 nan 8.290 nan 0.000 0.555 491 D N -1.235 119.207 120.400 0.069 0.000 2.441 491 D HA 0.082 4.722 4.640 -0.000 0.000 0.210 491 D C 0.497 176.838 176.300 0.068 0.000 1.102 491 D CA 0.025 54.063 54.000 0.063 0.000 0.840 491 D CB 0.689 41.518 40.800 0.048 0.000 0.990 491 D HN 0.223 nan 8.370 nan 0.000 0.505 492 K N 1.814 122.255 120.400 0.067 0.000 2.234 492 K HA 0.164 4.484 4.320 -0.000 0.000 0.282 492 K C -0.084 176.560 176.600 0.073 0.000 1.039 492 K CA -0.464 55.865 56.287 0.069 0.000 0.928 492 K CB 0.982 33.513 32.500 0.053 0.000 1.039 492 K HN -0.214 nan 8.250 nan 0.000 0.470 493 I N 6.375 126.999 120.570 0.089 0.000 2.329 493 I HA -0.042 4.128 4.170 -0.000 0.000 0.295 493 I C 1.387 177.506 176.117 0.003 0.000 1.109 493 I CA 0.121 61.450 61.300 0.049 0.000 1.297 493 I CB 0.500 38.544 38.000 0.073 0.000 1.433 493 I HN 0.594 nan 8.210 nan 0.000 0.509 494 V N 6.026 125.940 119.914 -0.000 0.000 2.515 494 V HA -0.042 4.078 4.120 -0.000 0.000 0.250 494 V C 1.026 177.091 176.094 -0.049 0.000 1.058 494 V CA 1.589 63.883 62.300 -0.011 0.000 1.064 494 V CB -0.057 31.768 31.823 0.003 0.000 0.675 494 V HN 0.898 nan 8.190 nan 0.000 0.461 495 A N -1.293 121.472 122.820 -0.092 0.000 2.599 495 A HA 0.671 4.991 4.320 -0.000 0.000 0.294 495 A C -1.462 175.991 177.584 -0.218 0.000 1.055 495 A CA -0.591 51.364 52.037 -0.137 0.000 0.683 495 A CB 1.036 19.980 19.000 -0.094 0.000 1.278 495 A HN 0.095 nan 8.150 nan 0.000 0.412 496 L N 1.148 122.204 121.223 -0.278 0.000 2.317 496 L HA 0.589 4.929 4.340 -0.000 0.000 0.281 496 L C -1.063 175.647 176.870 -0.268 0.000 1.024 496 L CA -0.797 53.827 54.840 -0.361 0.000 0.810 496 L CB 1.643 43.366 42.059 -0.560 0.000 1.240 496 L HN 0.573 nan 8.230 nan 0.000 0.427 497 I N 2.415 122.846 120.570 -0.231 0.000 2.328 497 I HA 0.175 4.345 4.170 -0.000 0.000 0.287 497 I C 0.263 176.278 176.117 -0.171 0.000 1.012 497 I CA -0.043 61.157 61.300 -0.166 0.000 1.195 497 I CB 1.306 39.237 38.000 -0.115 0.000 1.350 497 I HN 0.533 nan 8.210 nan 0.000 0.464 498 E N 6.276 126.381 120.200 -0.159 0.000 2.200 498 E HA 0.113 4.463 4.350 -0.000 0.000 0.283 498 E C -1.109 175.467 176.600 -0.040 0.000 1.015 498 E CA -0.621 55.709 56.400 -0.117 0.000 0.819 498 E CB 0.797 30.441 29.700 -0.094 0.000 1.081 498 E HN 0.442 nan 8.360 nan 0.000 0.397 499 Y N 4.375 124.578 120.300 -0.162 0.000 2.426 499 Y HA -0.026 4.524 4.550 -0.000 0.000 0.344 499 Y C 1.715 177.528 175.900 -0.145 0.000 1.256 499 Y CA 0.229 58.229 58.100 -0.166 0.000 1.451 499 Y CB 0.778 39.098 38.460 -0.233 0.000 1.342 499 Y HN 0.634 nan 8.280 nan 0.000 0.600 500 R N 0.636 120.637 120.500 -0.832 0.000 2.154 500 R HA -0.225 4.115 4.340 -0.000 0.000 0.248 500 R C 0.840 176.936 176.300 -0.339 0.000 1.155 500 R CA 2.089 57.842 56.100 -0.579 0.000 0.979 500 R CB -0.823 29.048 30.300 -0.715 0.000 0.869 500 R HN 0.734 nan 8.270 nan 0.000 0.452 501 D N -0.753 119.498 120.400 -0.249 0.000 2.363 501 D HA 0.050 4.690 4.640 -0.000 0.000 0.220 501 D C 1.263 177.557 176.300 -0.010 0.000 0.994 501 D CA 0.866 54.826 54.000 -0.067 0.000 0.890 501 D CB 0.259 41.086 40.800 0.045 0.000 0.906 501 D HN 0.534 nan 8.370 nan 0.000 0.530 502 G N -0.254 108.540 108.800 -0.010 0.000 2.195 502 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.224 502 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.224 502 G C 0.390 175.361 174.900 0.119 0.000 0.990 502 G CA 0.295 45.423 45.100 0.047 0.000 0.639 502 G HN 0.800 nan 8.290 nan 0.000 0.514 503 S N -0.186 115.544 115.700 0.051 0.000 2.730 503 S HA 0.811 5.281 4.470 -0.000 0.000 0.284 503 S C 0.184 174.767 174.600 -0.028 0.000 1.153 503 S CA -0.893 57.328 58.200 0.036 0.000 0.995 503 S CB 1.946 65.012 63.200 -0.223 0.000 1.058 503 S HN 0.579 nan 8.310 nan 0.000 0.552 504 L N 1.514 122.719 121.223 -0.029 0.000 2.292 504 L HA 0.408 4.747 4.340 -0.000 0.000 0.284 504 L C 0.666 177.459 176.870 -0.128 0.000 1.065 504 L CA -0.434 54.341 54.840 -0.109 0.000 0.806 504 L CB 1.294 43.289 42.059 -0.106 0.000 1.175 504 L HN 0.785 nan 8.230 nan 0.000 0.431 505 I N 1.231 121.721 120.570 -0.133 0.000 3.526 505 I HA 0.272 4.442 4.170 -0.000 0.000 0.294 505 I C 0.176 176.229 176.117 -0.107 0.000 1.229 505 I CA 0.955 62.164 61.300 -0.151 0.000 1.408 505 I CB 0.250 38.160 38.000 -0.151 0.000 1.127 505 I HN 0.679 nan 8.210 nan 0.000 0.439 506 D N -1.219 119.119 120.400 -0.104 0.000 2.865 506 D HA 0.502 5.142 4.640 -0.000 0.000 0.343 506 D C -1.430 174.800 176.300 -0.117 0.000 1.372 506 D CA 0.487 54.431 54.000 -0.094 0.000 0.862 506 D CB 1.397 42.147 40.800 -0.084 0.000 1.425 506 D HN -0.049 nan 8.370 nan 0.000 0.501 507 V N -2.185 117.666 119.914 -0.106 0.000 3.206 507 V HA 0.882 5.002 4.120 -0.000 0.000 0.305 507 V C -1.170 174.869 176.094 -0.092 0.000 1.257 507 V CA -0.783 61.442 62.300 -0.126 0.000 1.057 507 V CB 1.731 33.482 31.823 -0.119 0.000 1.075 507 V HN 0.399 nan 8.190 nan 0.000 0.443 508 V N 1.375 121.242 119.914 -0.079 0.000 2.531 508 V HA 0.628 4.748 4.120 -0.000 0.000 0.301 508 V C -0.021 176.085 176.094 0.020 0.000 1.034 508 V CA -0.538 61.750 62.300 -0.020 0.000 0.865 508 V CB 1.808 33.621 31.823 -0.017 0.000 0.995 508 V HN 0.970 nan 8.190 nan 0.000 0.424 509 R N 2.848 123.410 120.500 0.103 0.000 2.691 509 R HA 0.485 4.825 4.340 -0.000 0.000 0.259 509 R C -0.004 176.404 176.300 0.180 0.000 1.048 509 R CA -0.811 55.381 56.100 0.153 0.000 1.086 509 R CB 1.039 31.457 30.300 0.197 0.000 1.166 509 R HN 0.878 nan 8.270 nan 0.000 0.526 510 N N 0.015 118.781 118.700 0.110 0.000 2.444 510 N HA 0.039 4.779 4.740 -0.000 0.000 0.255 510 N C -0.725 174.766 175.510 -0.031 0.000 1.255 510 N CA -0.221 52.851 53.050 0.037 0.000 0.933 510 N CB 0.882 39.383 38.487 0.022 0.000 1.143 510 N HN 0.079 nan 8.380 nan 0.000 0.453 511 V N 1.702 121.552 119.914 -0.107 0.000 2.347 511 V HA 0.221 4.340 4.120 -0.000 0.000 0.280 511 V C 0.646 176.667 176.094 -0.121 0.000 1.021 511 V CA -0.838 61.334 62.300 -0.213 0.000 0.847 511 V CB 0.905 32.590 31.823 -0.230 0.000 0.990 511 V HN 0.508 nan 8.190 nan 0.000 0.444 512 L N 4.981 126.139 121.223 -0.109 0.000 2.525 512 L HA 0.147 4.487 4.340 -0.000 0.000 0.278 512 L C 1.080 177.914 176.870 -0.059 0.000 1.218 512 L CA 0.031 54.835 54.840 -0.060 0.000 0.878 512 L CB 0.170 42.204 42.059 -0.041 0.000 1.127 512 L HN 0.611 nan 8.230 nan 0.000 0.492 513 E N 0.000 120.176 120.200 -0.040 0.000 2.725 513 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 513 E CA 0.000 56.379 56.400 -0.035 0.000 0.976 513 E CB 0.000 29.685 29.700 -0.025 0.000 0.812 513 E HN 0.000 nan 8.360 nan 0.000 0.440