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 1p30_1_A DATA FIRST_RESID 5 DATA SEQUENCE MMPQWSYMHI SGQDASEYLS PGLVQFARAT ETYFSLNNKF RNPTVAPTHD DATA SEQUENCE VTTDRSQRLT LRFIPVDRED TAYSYKARFT LAVGDNRVLD MASTYFDIRG DATA SEQUENCE VLDRGPTFKP YSGTAYNALA PKGAPNPCEW DXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX THVFGQAPYS GINITKEGIQ IGVEGQTPKY ADKTFQPEPQ DATA SEQUENCE IGESQWYETE INHAAGRVLK KTTPMKPCYG SYAKPTNENG GQGILVXXXX DATA SEQUENCE XXLESQVEMQ FFSTTEXXXX XXXXLTPKVV LYSEDVDIET PDTHISYMPT DATA SEQUENCE IKEGNSRELM GQQSMPNRPN YIAFRDNFIG LMYYNSTGNM GVLAGQASQL DATA SEQUENCE NAVVDLQDRN TELSYQLLLD SIGDRTRYFS MWNQAVDSYD PDVRIIENHG DATA SEQUENCE TEDELPNYCF PLGGVINTET LTKVKPXXXX XXGWEKDAXX FSDKNEIRVG DATA SEQUENCE NNFAMEINLN ANLWRNFLYS NIALYLPDKL KYSPSNVKIS DNPNTYDYMN DATA SEQUENCE KRVVAPGLVD CYINLGARWS LDYMDNVNPF NHHRNAGLRY RSMLLGNGRY DATA SEQUENCE VPFHIQVPQK FFAIKNLLLL PGSYTYEWNF RKDVNMVLQS SLGNDLRVDG DATA SEQUENCE ASIKFDSICL YATFFPMAHN TASTLEAMLR NDTNDQSFND YLSAANMLYP DATA SEQUENCE IPANATNVPI SIPSRNWAAF RGWAFTRLKT KETPSLGSGY DPYYTYSGSI DATA SEQUENCE PYLDGTFYLN HTFKKVAITF DSSVSWPGND RLLTPNEFEI KRSVDGEGYN DATA SEQUENCE VAQCNMTKDW FLVQMLANYN IGYQGFYIPE SYKDRMYSFF RNFQPMSRQV DATA SEQUENCE VDDTKYKDYQ QVGILHQHNN SGFVGYLAPT MREGQAYPAN FPYPLIGKTA DATA SEQUENCE VDSITQKKFL CDRTLWRIPF SSNFMSMGAL TDLGQNLLYA NSAHALDMTF DATA SEQUENCE EVDPMDEPTL LYVLFEVFDV VRVHRPHRGV IETVYLRTPF SA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 5 M HA 0.000 nan 4.480 nan 0.000 0.227 5 M C 0.000 175.658 176.300 -1.071 0.000 1.140 5 M CA 0.000 54.560 55.300 -1.232 0.000 0.988 5 M CB 0.000 32.186 32.600 -0.690 0.000 1.302 6 M N -0.463 118.705 119.600 -0.720 0.000 2.785 6 M HA -0.209 4.273 4.480 0.002 0.000 0.260 6 M C 0.367 176.592 176.300 -0.124 0.000 0.983 6 M CA 3.783 58.920 55.300 -0.271 0.000 1.018 6 M CB -3.635 28.875 32.600 -0.150 0.000 1.371 6 M HN 0.970 nan 8.290 nan 0.000 0.474 7 P HA -0.211 nan 4.420 nan 0.000 0.212 7 P C 1.682 178.990 177.300 0.015 0.000 1.174 7 P CA 1.945 65.008 63.100 -0.061 0.000 0.934 7 P CB -0.401 31.241 31.700 -0.096 0.000 0.791 8 Q N -2.203 117.599 119.800 0.003 0.000 2.124 8 Q HA -0.186 4.156 4.340 0.002 0.000 0.202 8 Q C 2.161 178.333 176.000 0.287 0.000 0.977 8 Q CA 1.262 57.144 55.803 0.131 0.000 0.850 8 Q CB -0.532 28.277 28.738 0.118 0.000 0.901 8 Q HN 0.319 nan 8.270 nan 0.000 0.429 9 W N 0.360 121.673 121.300 0.022 0.000 2.355 9 W HA -0.127 4.534 4.660 0.002 0.000 0.309 9 W C 2.694 179.211 176.519 -0.004 0.000 1.206 9 W CA 0.999 58.353 57.345 0.015 0.000 1.284 9 W CB -1.336 28.137 29.460 0.023 0.000 1.145 9 W HN 0.112 nan 8.180 nan 0.000 0.502 10 S N -0.980 114.868 115.700 0.247 0.000 2.368 10 S HA -0.256 4.215 4.470 0.002 0.000 0.225 10 S C 1.932 176.500 174.600 -0.053 0.000 1.030 10 S CA 1.433 59.704 58.200 0.119 0.000 0.999 10 S CB -0.795 62.473 63.200 0.113 0.000 0.844 10 S HN 0.232 nan 8.310 nan 0.000 0.459 11 Y N 1.285 121.499 120.300 -0.142 0.000 2.224 11 Y HA 0.059 4.611 4.550 0.002 0.000 0.289 11 Y C 1.876 177.498 175.900 -0.464 0.000 1.146 11 Y CA 1.581 59.518 58.100 -0.272 0.000 1.182 11 Y CB -0.115 38.263 38.460 -0.137 0.000 0.983 11 Y HN 0.261 nan 8.280 nan 0.000 0.524 12 M N -0.322 119.130 119.600 -0.246 0.000 2.495 12 M HA 0.042 4.523 4.480 0.002 0.000 0.237 12 M C -0.105 176.071 176.300 -0.207 0.000 1.131 12 M CA 0.589 55.740 55.300 -0.248 0.000 1.032 12 M CB -1.185 31.419 32.600 0.007 0.000 1.513 12 M HN 0.369 nan 8.290 nan 0.000 0.488 13 H N -1.456 117.564 119.070 -0.084 0.000 2.899 13 H HA -0.155 4.403 4.556 0.002 0.000 0.282 13 H C 1.289 176.611 175.328 -0.010 0.000 1.198 13 H CA 0.806 56.818 56.048 -0.060 0.000 1.140 13 H CB -2.278 27.427 29.762 -0.096 0.000 1.317 13 H HN 0.414 nan 8.280 nan 0.000 0.375 14 I N -0.003 120.597 120.570 0.050 0.000 2.546 14 I HA -0.114 4.057 4.170 0.002 0.000 0.255 14 I C 1.403 177.487 176.117 -0.055 0.000 1.163 14 I CA 1.359 62.618 61.300 -0.067 0.000 1.457 14 I CB 0.187 38.046 38.000 -0.235 0.000 1.092 14 I HN 0.380 nan 8.210 nan 0.000 0.434 15 S N -1.135 114.609 115.700 0.075 0.000 2.776 15 S HA 0.839 5.310 4.470 0.002 0.000 0.292 15 S C -0.136 174.565 174.600 0.169 0.000 1.187 15 S CA -0.125 58.147 58.200 0.120 0.000 0.834 15 S CB 1.837 65.165 63.200 0.212 0.000 1.199 15 S HN 0.440 nan 8.310 nan 0.000 0.514 16 G N 0.549 109.447 108.800 0.164 0.000 2.445 16 G HA2 -0.013 3.948 3.960 0.002 0.000 0.212 16 G HA3 -0.013 3.948 3.960 0.002 0.000 0.212 16 G C -1.048 173.956 174.900 0.173 0.000 1.217 16 G CA -0.262 44.940 45.100 0.170 0.000 1.002 16 G HN 0.973 nan 8.290 nan 0.000 0.574 17 Q N 0.349 120.282 119.800 0.221 0.000 2.249 17 Q HA 0.499 4.840 4.340 0.002 0.000 0.226 17 Q C -0.512 175.634 176.000 0.244 0.000 0.983 17 Q CA -0.692 55.236 55.803 0.207 0.000 0.930 17 Q CB 0.856 29.720 28.738 0.210 0.000 1.193 17 Q HN 0.540 nan 8.270 nan 0.000 0.508 18 D N -0.347 120.097 120.400 0.073 0.000 2.354 18 D HA 0.148 4.789 4.640 0.002 0.000 0.247 18 D C 0.604 176.640 176.300 -0.441 0.000 1.138 18 D CA 0.018 53.979 54.000 -0.064 0.000 0.958 18 D CB 1.332 42.080 40.800 -0.086 0.000 1.144 18 D HN 0.675 nan 8.370 nan 0.000 0.458 19 A N 1.038 123.437 122.820 -0.701 0.000 1.948 19 A HA -0.221 4.101 4.320 0.002 0.000 0.220 19 A C 1.994 179.073 177.584 -0.842 0.000 1.177 19 A CA 2.390 53.635 52.037 -1.321 0.000 0.636 19 A CB -0.710 17.887 19.000 -0.672 0.000 0.815 19 A HN 0.567 nan 8.150 nan 0.000 0.449 20 S N -0.692 114.738 115.700 -0.451 0.000 2.500 20 S HA -0.119 4.353 4.470 0.002 0.000 0.239 20 S C 1.365 175.825 174.600 -0.234 0.000 0.989 20 S CA 1.413 59.439 58.200 -0.289 0.000 0.951 20 S CB -0.229 62.865 63.200 -0.177 0.000 0.759 20 S HN 0.729 nan 8.310 nan 0.000 0.523 21 E N -0.066 119.982 120.200 -0.253 0.000 2.256 21 E HA 0.085 4.437 4.350 0.002 0.000 0.198 21 E C 1.625 178.196 176.600 -0.047 0.000 0.908 21 E CA 0.575 56.909 56.400 -0.109 0.000 0.915 21 E CB -0.101 29.582 29.700 -0.029 0.000 0.890 21 E HN 0.859 nan 8.360 nan 0.000 0.484 22 Y N 0.369 120.640 120.300 -0.047 0.000 2.517 22 Y HA 0.301 4.853 4.550 0.002 0.000 0.281 22 Y C 0.709 176.576 175.900 -0.056 0.000 1.125 22 Y CA -0.195 57.893 58.100 -0.021 0.000 1.283 22 Y CB -0.410 38.071 38.460 0.035 0.000 1.042 22 Y HN -0.207 nan 8.280 nan 0.000 0.547 23 L N 1.761 122.894 121.223 -0.149 0.000 2.439 23 L HA 0.250 4.591 4.340 0.002 0.000 0.261 23 L C 0.871 177.690 176.870 -0.086 0.000 1.153 23 L CA -0.679 54.081 54.840 -0.135 0.000 0.808 23 L CB 0.764 42.574 42.059 -0.414 0.000 1.126 23 L HN 0.279 nan 8.230 nan 0.000 0.460 24 S N 0.822 116.488 115.700 -0.057 0.000 2.572 24 S HA 0.141 4.613 4.470 0.002 0.000 0.279 24 S C -1.907 172.660 174.600 -0.055 0.000 1.341 24 S CA -1.017 57.163 58.200 -0.034 0.000 1.043 24 S CB 0.884 64.075 63.200 -0.017 0.000 0.887 24 S HN 0.413 nan 8.310 nan 0.000 0.516 25 P HA 0.002 nan 4.420 nan 0.000 0.218 25 P C 1.704 178.994 177.300 -0.015 0.000 1.148 25 P CA 1.501 64.582 63.100 -0.030 0.000 0.822 25 P CB -0.388 31.303 31.700 -0.016 0.000 0.784 26 G N 0.077 108.874 108.800 -0.004 0.000 2.421 26 G HA2 -0.251 3.711 3.960 0.002 0.000 0.216 26 G HA3 -0.251 3.711 3.960 0.002 0.000 0.216 26 G C 1.434 176.359 174.900 0.042 0.000 1.171 26 G CA 0.587 45.701 45.100 0.023 0.000 0.775 26 G HN 0.230 nan 8.290 nan 0.000 0.543 27 L N 0.851 122.066 121.223 -0.013 0.000 2.046 27 L HA 0.008 4.350 4.340 0.002 0.000 0.208 27 L C 2.884 179.754 176.870 0.000 0.000 1.077 27 L CA 1.376 56.198 54.840 -0.030 0.000 0.747 27 L CB -0.497 41.486 42.059 -0.126 0.000 0.896 27 L HN 0.081 nan 8.230 nan 0.000 0.432 28 V N -0.229 119.648 119.914 -0.063 0.000 2.343 28 V HA -0.337 3.785 4.120 0.002 0.000 0.247 28 V C 3.076 179.163 176.094 -0.011 0.000 1.051 28 V CA 2.184 64.437 62.300 -0.078 0.000 1.036 28 V CB -1.351 30.406 31.823 -0.110 0.000 0.654 28 V HN 0.709 nan 8.190 nan 0.000 0.451 29 Q N -0.797 119.015 119.800 0.020 0.000 2.046 29 Q HA -0.280 4.061 4.340 0.002 0.000 0.200 29 Q C 2.053 178.091 176.000 0.063 0.000 0.975 29 Q CA 2.141 57.961 55.803 0.028 0.000 0.836 29 Q CB -1.081 27.678 28.738 0.035 0.000 0.896 29 Q HN 0.693 nan 8.270 nan 0.000 0.428 30 F N 1.422 121.353 119.950 -0.031 0.000 2.126 30 F HA -0.011 4.517 4.527 0.002 0.000 0.299 30 F C 2.551 178.337 175.800 -0.023 0.000 1.096 30 F CA 1.588 59.580 58.000 -0.013 0.000 1.255 30 F CB -0.583 38.420 39.000 0.004 0.000 0.997 30 F HN 0.330 nan 8.300 nan 0.000 0.479 31 A N 0.561 123.562 122.820 0.302 0.000 1.902 31 A HA -0.181 4.141 4.320 0.002 0.000 0.217 31 A C 2.415 179.993 177.584 -0.010 0.000 1.181 31 A CA 2.627 54.769 52.037 0.175 0.000 0.623 31 A CB -1.426 17.633 19.000 0.099 0.000 0.818 31 A HN 0.459 nan 8.150 nan 0.000 0.443 32 R N -0.722 119.756 120.500 -0.038 0.000 2.092 32 R HA 0.215 4.556 4.340 0.002 0.000 0.231 32 R C 2.484 178.709 176.300 -0.124 0.000 1.119 32 R CA 2.041 58.097 56.100 -0.074 0.000 0.970 32 R CB -1.644 28.622 30.300 -0.057 0.000 0.864 32 R HN 0.924 nan 8.270 nan 0.000 0.440 33 A N 0.759 123.480 122.820 -0.164 0.000 2.014 33 A HA -0.065 4.256 4.320 0.002 0.000 0.218 33 A C 2.383 179.762 177.584 -0.343 0.000 1.163 33 A CA 2.056 53.968 52.037 -0.210 0.000 0.652 33 A CB -0.407 18.463 19.000 -0.216 0.000 0.808 33 A HN 0.681 nan 8.150 nan 0.000 0.449 34 T N -4.246 110.014 114.554 -0.490 0.000 3.023 34 T HA 0.354 4.705 4.350 0.002 0.000 0.253 34 T C 1.611 175.916 174.700 -0.658 0.000 1.038 34 T CA 1.229 62.824 62.100 -0.840 0.000 0.962 34 T CB -0.011 68.457 68.868 -0.665 0.000 1.018 34 T HN 0.544 nan 8.240 nan 0.000 0.521 35 E N 2.584 122.589 120.200 -0.325 0.000 2.136 35 E HA -0.315 4.037 4.350 0.002 0.000 0.208 35 E C 2.221 178.703 176.600 -0.197 0.000 1.035 35 E CA 2.679 58.962 56.400 -0.195 0.000 0.838 35 E CB -2.211 27.416 29.700 -0.123 0.000 0.748 35 E HN 0.933 nan 8.360 nan 0.000 0.459 36 T N -1.772 112.654 114.554 -0.213 0.000 2.833 36 T HA -0.124 4.228 4.350 0.002 0.000 0.269 36 T C 1.949 176.660 174.700 0.018 0.000 1.054 36 T CA 1.684 63.739 62.100 -0.075 0.000 1.135 36 T CB -0.513 68.364 68.868 0.016 0.000 0.869 36 T HN 0.908 nan 8.240 nan 0.000 0.466 37 Y N -1.513 118.817 120.300 0.050 0.000 2.426 37 Y HA 0.699 5.250 4.550 0.002 0.000 0.249 37 Y C 0.156 176.180 175.900 0.206 0.000 1.103 37 Y CA -2.259 55.896 58.100 0.092 0.000 1.256 37 Y CB 0.471 38.975 38.460 0.072 0.000 1.208 37 Y HN 0.144 nan 8.280 nan 0.000 0.519 38 F N 1.350 121.238 119.950 -0.103 0.000 3.152 38 F HA 0.519 5.047 4.527 0.002 0.000 0.367 38 F C -0.956 174.818 175.800 -0.042 0.000 1.272 38 F CA -1.270 56.735 58.000 0.007 0.000 1.172 38 F CB 1.225 40.297 39.000 0.119 0.000 1.552 38 F HN -0.129 nan 8.300 nan 0.000 0.616 39 S N 5.261 120.760 115.700 -0.335 0.000 2.525 39 S HA 0.587 5.059 4.470 0.002 0.000 0.278 39 S C 0.452 174.933 174.600 -0.198 0.000 1.234 39 S CA -0.436 57.643 58.200 -0.202 0.000 1.058 39 S CB 0.852 63.959 63.200 -0.155 0.000 0.983 39 S HN 0.748 nan 8.310 nan 0.000 0.495 40 L N 4.396 125.619 121.223 -0.000 0.000 2.731 40 L HA 0.239 4.581 4.340 0.002 0.000 0.240 40 L C 1.716 178.693 176.870 0.178 0.000 1.120 40 L CA -0.187 54.725 54.840 0.120 0.000 0.913 40 L CB -0.196 42.058 42.059 0.324 0.000 1.213 40 L HN 0.532 nan 8.230 nan 0.000 0.515 41 N N 1.774 120.530 118.700 0.094 0.000 2.094 41 N HA -0.205 4.536 4.740 0.002 0.000 0.191 41 N C 1.434 176.988 175.510 0.073 0.000 1.023 41 N CA 1.784 54.893 53.050 0.100 0.000 0.857 41 N CB -0.495 38.004 38.487 0.020 0.000 1.013 41 N HN 0.494 nan 8.380 nan 0.000 0.426 42 N N 1.302 119.994 118.700 -0.014 0.000 2.571 42 N HA -0.085 4.656 4.740 0.002 0.000 0.189 42 N C 0.496 175.936 175.510 -0.116 0.000 1.154 42 N CA 0.547 53.566 53.050 -0.051 0.000 0.907 42 N CB 0.050 38.495 38.487 -0.070 0.000 0.977 42 N HN 0.137 nan 8.380 nan 0.000 0.449 43 K N -0.172 120.101 120.400 -0.212 0.000 2.367 43 K HA 0.152 4.474 4.320 0.002 0.000 0.194 43 K C -0.496 175.622 176.600 -0.802 0.000 1.027 43 K CA 0.090 56.047 56.287 -0.551 0.000 1.075 43 K CB 0.239 32.242 32.500 -0.828 0.000 0.845 43 K HN 0.179 nan 8.250 nan 0.000 0.529 44 F N 1.186 121.134 119.950 -0.003 0.000 2.536 44 F HA 0.403 4.932 4.527 0.002 0.000 0.322 44 F C 0.365 176.172 175.800 0.013 0.000 1.144 44 F CA -1.098 56.916 58.000 0.024 0.000 0.924 44 F CB 1.317 40.325 39.000 0.014 0.000 1.181 44 F HN -0.385 nan 8.300 nan 0.000 0.438 45 R N 2.165 122.771 120.500 0.178 0.000 2.590 45 R HA 0.228 4.569 4.340 0.002 0.000 0.274 45 R C -0.617 175.758 176.300 0.125 0.000 1.061 45 R CA -0.164 56.005 56.100 0.116 0.000 1.081 45 R CB 0.401 30.768 30.300 0.112 0.000 0.984 45 R HN 0.568 nan 8.270 nan 0.000 0.448 46 N N 4.378 123.126 118.700 0.079 0.000 2.524 46 N HA 0.252 4.993 4.740 0.002 0.000 0.261 46 N C -2.360 173.186 175.510 0.061 0.000 0.998 46 N CA -1.297 51.790 53.050 0.062 0.000 0.915 46 N CB 1.923 40.417 38.487 0.012 0.000 1.187 46 N HN 0.398 nan 8.380 nan 0.000 0.507 47 P HA 0.144 nan 4.420 nan 0.000 0.272 47 P C -0.559 176.760 177.300 0.031 0.000 1.223 47 P CA -0.114 63.020 63.100 0.057 0.000 0.784 47 P CB 0.761 32.513 31.700 0.086 0.000 0.923 48 T N -1.397 113.161 114.554 0.007 0.000 2.879 48 T HA 0.538 4.890 4.350 0.002 0.000 0.290 48 T C -0.518 174.175 174.700 -0.011 0.000 0.993 48 T CA -0.691 61.410 62.100 0.001 0.000 0.975 48 T CB 0.912 69.776 68.868 -0.005 0.000 0.981 48 T HN 0.166 nan 8.240 nan 0.000 0.439 49 V N 2.174 122.089 119.914 0.002 0.000 2.540 49 V HA 0.802 4.924 4.120 0.002 0.000 0.302 49 V C 0.554 176.654 176.094 0.010 0.000 1.035 49 V CA -1.132 61.168 62.300 0.001 0.000 0.873 49 V CB 1.532 33.372 31.823 0.028 0.000 0.992 49 V HN 1.284 nan 8.190 nan 0.000 0.428 50 A N 6.495 129.319 122.820 0.006 0.000 2.340 50 A HA 0.774 5.096 4.320 0.002 0.000 0.268 50 A C -1.823 175.774 177.584 0.022 0.000 1.100 50 A CA -1.125 50.919 52.037 0.013 0.000 0.803 50 A CB -0.074 18.933 19.000 0.011 0.000 1.043 50 A HN 0.728 nan 8.150 nan 0.000 0.488 51 P HA 0.143 nan 4.420 nan 0.000 0.272 51 P C 0.381 177.685 177.300 0.006 0.000 1.223 51 P CA 0.231 63.317 63.100 -0.023 0.000 0.784 51 P CB 0.794 32.440 31.700 -0.090 0.000 0.923 52 T N -3.279 111.309 114.554 0.057 0.000 3.044 52 T HA 0.108 4.460 4.350 0.002 0.000 0.260 52 T C 0.735 175.539 174.700 0.174 0.000 1.019 52 T CA -0.057 62.120 62.100 0.128 0.000 0.921 52 T CB -0.419 68.556 68.868 0.180 0.000 1.053 52 T HN 0.710 nan 8.240 nan 0.000 0.533 53 H N -0.888 118.210 119.070 0.047 0.000 2.980 53 H HA 0.466 5.024 4.556 0.002 0.000 0.367 53 H C -1.084 174.275 175.328 0.052 0.000 1.206 53 H CA -0.644 55.430 56.048 0.044 0.000 1.126 53 H CB 0.939 30.724 29.762 0.039 0.000 1.838 53 H HN -0.072 nan 8.280 nan 0.000 0.552 54 D N 0.404 120.861 120.400 0.096 0.000 2.945 54 D HA -0.140 4.501 4.640 0.002 0.000 0.225 54 D C 0.786 177.114 176.300 0.047 0.000 1.158 54 D CA 1.078 55.116 54.000 0.063 0.000 0.805 54 D CB -1.529 39.309 40.800 0.063 0.000 1.098 54 D HN 0.376 nan 8.370 nan 0.000 0.426 55 V N -1.273 118.680 119.914 0.064 0.000 2.950 55 V HA 0.103 4.224 4.120 0.002 0.000 0.231 55 V C 1.128 177.349 176.094 0.211 0.000 1.205 55 V CA 1.303 63.687 62.300 0.140 0.000 1.239 55 V CB 0.767 32.659 31.823 0.115 0.000 1.050 55 V HN 0.113 nan 8.190 nan 0.000 0.498 56 T N 0.387 115.000 114.554 0.097 0.000 2.940 56 T HA 0.427 4.778 4.350 0.002 0.000 0.288 56 T C -0.231 174.460 174.700 -0.015 0.000 1.033 56 T CA -0.034 62.077 62.100 0.017 0.000 1.033 56 T CB 1.930 70.765 68.868 -0.056 0.000 1.079 56 T HN 0.325 nan 8.240 nan 0.000 0.496 57 T N 0.512 115.024 114.554 -0.070 0.000 2.909 57 T HA 0.192 4.543 4.350 0.002 0.000 0.289 57 T C 0.342 174.968 174.700 -0.124 0.000 1.005 57 T CA -0.615 61.386 62.100 -0.164 0.000 1.084 57 T CB 0.403 69.072 68.868 -0.332 0.000 0.975 57 T HN 0.433 nan 8.240 nan 0.000 0.509 58 D N 1.883 122.208 120.400 -0.125 0.000 2.346 58 D HA 0.170 4.811 4.640 0.002 0.000 0.206 58 D C 1.456 177.713 176.300 -0.072 0.000 1.001 58 D CA 0.379 54.337 54.000 -0.072 0.000 0.871 58 D CB -0.060 40.713 40.800 -0.045 0.000 0.943 58 D HN 0.657 nan 8.370 nan 0.000 0.518 59 R N 0.815 121.245 120.500 -0.117 0.000 2.637 59 R HA 0.387 4.728 4.340 0.002 0.000 0.269 59 R C 0.532 176.811 176.300 -0.035 0.000 1.089 59 R CA -0.340 55.720 56.100 -0.067 0.000 1.177 59 R CB -0.363 29.901 30.300 -0.061 0.000 1.091 59 R HN 0.094 nan 8.270 nan 0.000 0.540 60 S N 0.045 115.742 115.700 -0.006 0.000 2.533 60 S HA 0.278 4.750 4.470 0.002 0.000 0.282 60 S C -0.312 174.293 174.600 0.008 0.000 1.304 60 S CA 0.118 58.317 58.200 -0.002 0.000 1.063 60 S CB -0.003 63.198 63.200 0.002 0.000 0.881 60 S HN 0.646 nan 8.310 nan 0.000 0.493 61 Q N 3.097 122.896 119.800 -0.002 0.000 2.468 61 Q HA 0.264 4.606 4.340 0.002 0.000 0.263 61 Q C -1.398 174.593 176.000 -0.016 0.000 0.979 61 Q CA -0.856 54.944 55.803 -0.005 0.000 0.932 61 Q CB 0.861 29.613 28.738 0.024 0.000 1.462 61 Q HN 0.587 nan 8.270 nan 0.000 0.403 62 R N 2.961 123.440 120.500 -0.035 0.000 2.490 62 R HA 0.246 4.587 4.340 0.002 0.000 0.280 62 R C 0.758 177.070 176.300 0.021 0.000 1.077 62 R CA 0.128 56.218 56.100 -0.017 0.000 1.065 62 R CB 0.523 30.799 30.300 -0.041 0.000 1.003 62 R HN 0.746 nan 8.270 nan 0.000 0.470 63 L N 0.560 121.821 121.223 0.063 0.000 2.202 63 L HA 0.061 4.402 4.340 0.002 0.000 0.205 63 L C 0.576 177.578 176.870 0.221 0.000 1.083 63 L CA 1.038 55.952 54.840 0.124 0.000 0.790 63 L CB 0.070 42.178 42.059 0.081 0.000 0.942 63 L HN 0.458 nan 8.230 nan 0.000 0.452 64 T N 1.470 116.129 114.554 0.175 0.000 2.812 64 T HA 0.560 4.911 4.350 0.002 0.000 0.282 64 T C -0.440 174.344 174.700 0.140 0.000 0.990 64 T CA -0.351 61.880 62.100 0.218 0.000 0.960 64 T CB 2.120 71.117 68.868 0.214 0.000 0.948 64 T HN -0.088 nan 8.240 nan 0.000 0.438 65 L N 2.730 124.036 121.223 0.138 0.000 2.334 65 L HA 0.679 5.020 4.340 0.002 0.000 0.273 65 L C 0.214 176.847 176.870 -0.395 0.000 1.013 65 L CA -1.074 53.674 54.840 -0.154 0.000 0.816 65 L CB 1.971 43.914 42.059 -0.194 0.000 1.278 65 L HN 0.410 nan 8.230 nan 0.000 0.431 66 R N 1.792 121.902 120.500 -0.651 0.000 2.480 66 R HA 0.581 4.922 4.340 0.002 0.000 0.306 66 R C -1.788 174.063 176.300 -0.749 0.000 0.958 66 R CA -0.428 55.191 56.100 -0.800 0.000 0.861 66 R CB 1.190 31.082 30.300 -0.680 0.000 1.171 66 R HN 0.341 nan 8.270 nan 0.000 0.445 67 F N 4.558 124.394 119.950 -0.191 0.000 2.469 67 F HA 0.483 5.011 4.527 0.002 0.000 0.332 67 F C 0.263 176.173 175.800 0.182 0.000 1.103 67 F CA -1.014 57.007 58.000 0.036 0.000 0.979 67 F CB 1.418 40.490 39.000 0.120 0.000 1.137 67 F HN 0.170 nan 8.300 nan 0.000 0.463 68 I N 3.206 124.001 120.570 0.375 0.000 2.498 68 I HA 0.345 4.516 4.170 0.002 0.000 0.301 68 I C -2.272 174.001 176.117 0.259 0.000 0.984 68 I CA -2.972 58.503 61.300 0.292 0.000 1.204 68 I CB 1.285 39.363 38.000 0.130 0.000 1.362 68 I HN 0.268 nan 8.210 nan 0.000 0.471 69 P HA 0.025 nan 4.420 nan 0.000 0.268 69 P C 0.747 177.933 177.300 -0.190 0.000 1.204 69 P CA 0.151 62.983 63.100 -0.445 0.000 0.768 69 P CB 0.977 32.417 31.700 -0.434 0.000 0.842 70 V N 1.719 121.519 119.914 -0.189 0.000 3.052 70 V HA 0.044 4.166 4.120 0.002 0.000 0.254 70 V C 0.144 176.171 176.094 -0.111 0.000 1.100 70 V CA 1.440 63.691 62.300 -0.082 0.000 1.112 70 V CB -0.385 31.421 31.823 -0.029 0.000 0.738 70 V HN 0.611 nan 8.190 nan 0.000 0.469 71 D N -0.769 119.523 120.400 -0.180 0.000 2.886 71 D HA 0.605 5.246 4.640 0.002 0.000 0.216 71 D C -0.505 175.655 176.300 -0.233 0.000 1.256 71 D CA 0.094 53.993 54.000 -0.169 0.000 0.844 71 D CB 1.598 42.316 40.800 -0.136 0.000 1.669 71 D HN 0.296 nan 8.370 nan 0.000 0.513 72 R N 1.958 122.325 120.500 -0.221 0.000 2.686 72 R HA 0.823 5.165 4.340 0.002 0.000 0.283 72 R C -0.790 175.315 176.300 -0.325 0.000 0.978 72 R CA -0.814 55.102 56.100 -0.307 0.000 0.897 72 R CB 1.299 31.446 30.300 -0.255 0.000 1.192 72 R HN 0.557 nan 8.270 nan 0.000 0.457 73 E N 1.725 121.650 120.200 -0.458 0.000 2.580 73 E HA 0.143 4.495 4.350 0.002 0.000 0.248 73 E C -1.658 174.668 176.600 -0.457 0.000 1.018 73 E CA -0.777 55.406 56.400 -0.362 0.000 0.775 73 E CB 1.675 31.222 29.700 -0.256 0.000 1.378 73 E HN 0.679 nan 8.360 nan 0.000 0.401 74 D N 2.204 122.375 120.400 -0.381 0.000 2.336 74 D HA 0.126 4.768 4.640 0.002 0.000 0.249 74 D C -0.493 175.772 176.300 -0.058 0.000 1.213 74 D CA 0.470 54.389 54.000 -0.134 0.000 0.870 74 D CB 0.831 41.732 40.800 0.167 0.000 1.076 74 D HN 0.102 nan 8.370 nan 0.000 0.483 75 T N 1.984 116.503 114.554 -0.057 0.000 2.919 75 T HA 0.544 4.896 4.350 0.002 0.000 0.282 75 T C 1.450 176.067 174.700 -0.138 0.000 1.020 75 T CA -0.065 61.952 62.100 -0.138 0.000 0.994 75 T CB 1.404 70.126 68.868 -0.245 0.000 1.180 75 T HN 0.335 nan 8.240 nan 0.000 0.566 76 A N 0.524 123.202 122.820 -0.237 0.000 1.896 76 A HA -0.164 4.157 4.320 0.002 0.000 0.220 76 A C 1.500 179.014 177.584 -0.116 0.000 1.206 76 A CA 2.477 54.399 52.037 -0.192 0.000 0.647 76 A CB -0.948 17.921 19.000 -0.219 0.000 0.828 76 A HN 0.956 nan 8.150 nan 0.000 0.455 77 Y N -2.108 118.192 120.300 -0.000 0.000 2.563 77 Y HA 0.522 5.073 4.550 0.002 0.000 0.250 77 Y C 0.294 176.337 175.900 0.238 0.000 1.126 77 Y CA -0.553 57.587 58.100 0.068 0.000 1.231 77 Y CB -0.546 37.892 38.460 -0.037 0.000 1.288 77 Y HN 0.360 nan 8.280 nan 0.000 0.537 78 S N -0.881 114.907 115.700 0.146 0.000 2.618 78 S HA 0.639 5.110 4.470 0.002 0.000 0.277 78 S C -1.934 172.860 174.600 0.323 0.000 1.138 78 S CA -0.706 57.719 58.200 0.375 0.000 0.844 78 S CB 2.292 65.721 63.200 0.381 0.000 1.127 78 S HN 0.243 nan 8.310 nan 0.000 0.474 79 Y N 0.663 121.137 120.300 0.291 0.000 2.391 79 Y HA 0.678 5.230 4.550 0.002 0.000 0.341 79 Y C -0.563 175.450 175.900 0.188 0.000 0.965 79 Y CA -0.523 57.706 58.100 0.215 0.000 1.067 79 Y CB 1.787 40.408 38.460 0.269 0.000 1.199 79 Y HN 0.959 nan 8.280 nan 0.000 0.450 80 K N 4.142 124.423 120.400 -0.198 0.000 2.376 80 K HA 0.888 5.209 4.320 0.002 0.000 0.257 80 K C -1.819 174.647 176.600 -0.223 0.000 0.939 80 K CA -0.680 55.537 56.287 -0.116 0.000 0.809 80 K CB 1.235 33.633 32.500 -0.169 0.000 1.121 80 K HN 0.696 nan 8.250 nan 0.000 0.425 81 A N 4.177 126.957 122.820 -0.066 0.000 2.356 81 A HA 0.565 4.887 4.320 0.002 0.000 0.310 81 A C -1.291 176.142 177.584 -0.251 0.000 1.075 81 A CA -0.835 51.076 52.037 -0.210 0.000 0.746 81 A CB 1.222 20.151 19.000 -0.118 0.000 1.221 81 A HN 0.829 nan 8.150 nan 0.000 0.443 82 R N 2.062 122.312 120.500 -0.416 0.000 2.562 82 R HA 0.754 5.096 4.340 0.002 0.000 0.298 82 R C -1.827 174.219 176.300 -0.423 0.000 0.961 82 R CA -0.346 55.607 56.100 -0.245 0.000 0.881 82 R CB 0.857 31.083 30.300 -0.125 0.000 1.159 82 R HN 0.556 nan 8.270 nan 0.000 0.450 83 F N 0.313 120.328 119.950 0.109 0.000 2.593 83 F HA 0.393 4.922 4.527 0.002 0.000 0.320 83 F C 0.080 175.936 175.800 0.093 0.000 1.060 83 F CA -0.898 57.173 58.000 0.119 0.000 0.940 83 F CB 2.614 41.709 39.000 0.158 0.000 1.268 83 F HN 0.292 nan 8.300 nan 0.000 0.475 84 T N 3.386 118.088 114.554 0.247 0.000 3.042 84 T HA 0.293 4.645 4.350 0.002 0.000 0.356 84 T C -0.763 173.909 174.700 -0.047 0.000 1.233 84 T CA -0.321 61.854 62.100 0.126 0.000 1.038 84 T CB 0.080 69.017 68.868 0.114 0.000 1.089 84 T HN 0.350 nan 8.240 nan 0.000 0.531 85 L N 4.406 125.569 121.223 -0.099 0.000 2.385 85 L HA 0.602 4.944 4.340 0.002 0.000 0.281 85 L C 0.095 176.909 176.870 -0.093 0.000 1.106 85 L CA -0.337 54.255 54.840 -0.413 0.000 0.856 85 L CB -0.643 41.296 42.059 -0.201 0.000 1.186 85 L HN 0.581 nan 8.230 nan 0.000 0.453 86 A N 5.583 128.353 122.820 -0.083 0.000 2.271 86 A HA 0.670 4.991 4.320 0.002 0.000 0.317 86 A C -0.784 176.984 177.584 0.307 0.000 1.245 86 A CA -0.580 51.564 52.037 0.178 0.000 0.857 86 A CB 0.923 20.052 19.000 0.215 0.000 1.175 86 A HN 0.499 nan 8.150 nan 0.000 0.512 87 V N 3.514 123.612 119.914 0.306 0.000 2.333 87 V HA 0.493 4.614 4.120 0.002 0.000 0.274 87 V C 1.170 177.372 176.094 0.180 0.000 1.028 87 V CA -0.111 62.399 62.300 0.350 0.000 0.851 87 V CB 0.940 33.005 31.823 0.403 0.000 1.000 87 V HN 1.085 nan 8.190 nan 0.000 0.456 88 G N 3.402 112.245 108.800 0.071 0.000 2.636 88 G HA2 0.162 4.123 3.960 0.002 0.000 0.246 88 G HA3 0.162 4.123 3.960 0.002 0.000 0.246 88 G C -0.155 174.743 174.900 -0.003 0.000 1.216 88 G CA -0.485 44.615 45.100 -0.000 0.000 0.854 88 G HN 0.668 nan 8.290 nan 0.000 0.572 89 D N 0.654 121.031 120.400 -0.038 0.000 2.423 89 D HA -0.005 4.636 4.640 0.002 0.000 0.238 89 D C 0.373 176.593 176.300 -0.133 0.000 1.142 89 D CA 0.457 54.424 54.000 -0.056 0.000 0.884 89 D CB 0.474 41.237 40.800 -0.062 0.000 1.199 89 D HN 0.442 nan 8.370 nan 0.000 0.438 90 N N 1.275 119.912 118.700 -0.105 0.000 2.776 90 N HA -0.203 4.538 4.740 0.002 0.000 0.249 90 N C -0.549 174.931 175.510 -0.049 0.000 1.111 90 N CA 0.865 53.824 53.050 -0.153 0.000 0.711 90 N CB -0.657 37.509 38.487 -0.536 0.000 1.065 90 N HN 0.535 nan 8.380 nan 0.000 0.556 91 R N -0.600 119.927 120.500 0.045 0.000 2.774 91 R HA 0.748 5.089 4.340 0.002 0.000 0.272 91 R C -0.431 176.000 176.300 0.218 0.000 1.000 91 R CA -0.901 55.296 56.100 0.162 0.000 0.906 91 R CB 2.390 32.768 30.300 0.130 0.000 1.227 91 R HN 0.005 nan 8.270 nan 0.000 0.468 92 V N -0.607 119.478 119.914 0.285 0.000 2.925 92 V HA 0.727 4.849 4.120 0.002 0.000 0.311 92 V C -1.437 174.772 176.094 0.192 0.000 1.104 92 V CA -1.050 61.370 62.300 0.201 0.000 0.954 92 V CB 2.009 33.902 31.823 0.117 0.000 1.022 92 V HN 0.585 nan 8.190 nan 0.000 0.427 93 L N 2.389 123.630 121.223 0.030 0.000 2.381 93 L HA 0.686 5.028 4.340 0.002 0.000 0.274 93 L C -0.696 176.070 176.870 -0.173 0.000 0.988 93 L CA 0.051 54.765 54.840 -0.211 0.000 0.824 93 L CB 1.642 43.474 42.059 -0.378 0.000 1.263 93 L HN 0.939 nan 8.230 nan 0.000 0.410 94 D N 5.316 125.620 120.400 -0.161 0.000 2.347 94 D HA 0.116 4.758 4.640 0.002 0.000 0.235 94 D C 1.156 177.363 176.300 -0.156 0.000 1.149 94 D CA -0.352 53.582 54.000 -0.110 0.000 0.850 94 D CB 1.153 41.925 40.800 -0.048 0.000 1.061 94 D HN 0.576 nan 8.370 nan 0.000 0.487 95 M N 2.911 122.399 119.600 -0.186 0.000 2.260 95 M HA -0.172 4.309 4.480 0.002 0.000 0.261 95 M C 1.887 178.091 176.300 -0.159 0.000 1.066 95 M CA 0.782 55.947 55.300 -0.224 0.000 1.082 95 M CB -1.178 31.259 32.600 -0.273 0.000 1.388 95 M HN 0.511 nan 8.290 nan 0.000 0.419 96 A N -0.117 122.642 122.820 -0.102 0.000 2.178 96 A HA -0.066 4.255 4.320 0.002 0.000 0.218 96 A C 2.108 179.713 177.584 0.035 0.000 1.157 96 A CA 1.697 53.710 52.037 -0.041 0.000 0.689 96 A CB -0.683 18.314 19.000 -0.004 0.000 0.787 96 A HN 0.603 nan 8.150 nan 0.000 0.465 97 S N -0.618 115.091 115.700 0.015 0.000 2.597 97 S HA 0.180 4.651 4.470 0.002 0.000 0.224 97 S C 0.615 175.259 174.600 0.072 0.000 0.955 97 S CA 0.308 58.566 58.200 0.096 0.000 0.933 97 S CB -0.879 62.352 63.200 0.052 0.000 0.788 97 S HN 0.598 nan 8.310 nan 0.000 0.488 98 T N -0.146 114.400 114.554 -0.013 0.000 2.945 98 T HA 0.751 5.103 4.350 0.002 0.000 0.286 98 T C -0.746 173.938 174.700 -0.027 0.000 1.025 98 T CA -0.760 61.263 62.100 -0.129 0.000 1.039 98 T CB 1.199 69.933 68.868 -0.223 0.000 1.068 98 T HN 0.694 nan 8.240 nan 0.000 0.497 99 Y N -1.604 118.622 120.300 -0.124 0.000 2.662 99 Y HA 0.632 5.183 4.550 0.002 0.000 0.334 99 Y C -2.067 173.715 175.900 -0.198 0.000 1.185 99 Y CA -2.600 55.405 58.100 -0.158 0.000 1.074 99 Y CB 0.471 39.051 38.460 0.200 0.000 1.330 99 Y HN 0.646 nan 8.280 nan 0.000 0.458 100 F N 1.782 121.917 119.950 0.309 0.000 2.411 100 F HA 0.341 4.869 4.527 0.002 0.000 0.355 100 F C 0.069 176.034 175.800 0.275 0.000 1.117 100 F CA -0.243 57.864 58.000 0.178 0.000 1.139 100 F CB 1.110 40.184 39.000 0.123 0.000 1.120 100 F HN 0.593 nan 8.300 nan 0.000 0.493 101 D N 4.801 125.494 120.400 0.488 0.000 2.317 101 D HA 0.475 5.116 4.640 0.002 0.000 0.234 101 D C -0.764 175.687 176.300 0.252 0.000 1.112 101 D CA -0.061 54.198 54.000 0.431 0.000 0.840 101 D CB 0.704 41.861 40.800 0.595 0.000 1.078 101 D HN 0.309 nan 8.370 nan 0.000 0.486 102 I N 3.749 124.415 120.570 0.160 0.000 2.465 102 I HA 0.474 4.645 4.170 0.002 0.000 0.291 102 I C -0.004 176.148 176.117 0.059 0.000 1.014 102 I CA -0.921 60.393 61.300 0.023 0.000 1.093 102 I CB 1.826 39.744 38.000 -0.136 0.000 1.267 102 I HN 0.176 nan 8.210 nan 0.000 0.431 103 R N 3.922 124.350 120.500 -0.120 0.000 2.561 103 R HA 0.831 5.172 4.340 0.002 0.000 0.297 103 R C -0.323 175.704 176.300 -0.454 0.000 0.969 103 R CA -0.747 55.163 56.100 -0.316 0.000 0.879 103 R CB 2.430 32.536 30.300 -0.324 0.000 1.178 103 R HN 0.881 nan 8.270 nan 0.000 0.445 104 G N 0.703 108.914 108.800 -0.982 0.000 2.634 104 G HA2 0.487 4.448 3.960 0.002 0.000 0.309 104 G HA3 0.487 4.448 3.960 0.002 0.000 0.309 104 G C -1.704 172.698 174.900 -0.831 0.000 1.299 104 G CA -0.421 44.203 45.100 -0.793 0.000 0.798 104 G HN 0.290 nan 8.290 nan 0.000 0.490 105 V N 0.203 119.947 119.914 -0.282 0.000 2.604 105 V HA 0.754 4.875 4.120 0.002 0.000 0.305 105 V C -0.866 175.379 176.094 0.252 0.000 1.043 105 V CA -0.681 61.609 62.300 -0.015 0.000 0.888 105 V CB 1.568 33.379 31.823 -0.021 0.000 0.995 105 V HN 0.860 nan 8.190 nan 0.000 0.429 106 L N 3.211 124.615 121.223 0.302 0.000 2.386 106 L HA 0.808 5.150 4.340 0.002 0.000 0.271 106 L C -1.214 175.697 176.870 0.068 0.000 0.993 106 L CA 0.023 54.972 54.840 0.182 0.000 0.819 106 L CB 2.093 44.232 42.059 0.134 0.000 1.294 106 L HN 0.701 nan 8.230 nan 0.000 0.414 107 D N 2.958 123.358 120.400 -0.001 0.000 2.462 107 D HA 0.337 4.979 4.640 0.002 0.000 0.245 107 D C 0.449 176.652 176.300 -0.161 0.000 1.122 107 D CA -0.366 53.616 54.000 -0.030 0.000 0.864 107 D CB 1.460 42.312 40.800 0.086 0.000 1.098 107 D HN 0.612 nan 8.370 nan 0.000 0.541 108 R N 1.946 122.271 120.500 -0.291 0.000 2.316 108 R HA 0.301 4.643 4.340 0.002 0.000 0.202 108 R C 1.326 177.499 176.300 -0.213 0.000 1.029 108 R CA 0.622 56.519 56.100 -0.339 0.000 1.018 108 R CB -0.129 29.775 30.300 -0.660 0.000 0.888 108 R HN 0.657 nan 8.270 nan 0.000 0.471 109 G N 0.401 109.088 108.800 -0.188 0.000 2.796 109 G HA2 -0.187 3.774 3.960 0.002 0.000 0.571 109 G HA3 -0.187 3.774 3.960 0.002 0.000 0.571 109 G C -2.054 172.763 174.900 -0.139 0.000 1.370 109 G CA -0.400 44.620 45.100 -0.133 0.000 0.856 109 G HN 0.060 nan 8.290 nan 0.000 0.538 110 P HA 0.019 nan 4.420 nan 0.000 0.241 110 P C 1.503 178.655 177.300 -0.247 0.000 1.191 110 P CA 1.962 64.978 63.100 -0.139 0.000 0.771 110 P CB 0.008 31.657 31.700 -0.084 0.000 0.929 111 T N -4.570 109.793 114.554 -0.318 0.000 3.129 111 T HA 0.062 4.414 4.350 0.002 0.000 0.251 111 T C 0.306 174.629 174.700 -0.628 0.000 1.117 111 T CA -0.524 61.151 62.100 -0.709 0.000 1.034 111 T CB -0.964 67.526 68.868 -0.630 0.000 0.968 111 T HN -0.135 nan 8.240 nan 0.000 0.526 112 F N 2.797 122.470 119.950 -0.462 0.000 2.472 112 F HA 0.509 5.038 4.527 0.003 0.000 0.364 112 F C 0.238 175.796 175.800 -0.404 0.000 1.090 112 F CA -1.276 56.499 58.000 -0.375 0.000 1.188 112 F CB 0.525 39.359 39.000 -0.277 0.000 1.105 112 F HN 0.022 nan 8.300 nan 0.000 0.536 113 K N 9.200 128.984 120.400 -1.026 0.000 2.723 113 K HA 0.328 4.650 4.320 0.002 0.000 0.229 113 K C -2.621 173.230 176.600 -1.249 0.000 1.022 113 K CA -1.700 53.924 56.287 -1.105 0.000 1.045 113 K CB 1.352 33.373 32.500 -0.797 0.000 1.227 113 K HN 0.299 nan 8.250 nan 0.000 0.516 114 P HA 0.002 nan 4.420 nan 0.000 0.269 114 P C -1.425 175.660 177.300 -0.359 0.000 1.601 114 P CA 0.197 62.773 63.100 -0.874 0.000 0.831 114 P CB -0.702 30.796 31.700 -0.338 0.000 1.688 115 Y N -5.024 114.973 120.300 -0.506 0.000 2.717 115 Y HA 0.496 5.047 4.550 0.002 0.000 0.345 115 Y C -1.180 174.604 175.900 -0.192 0.000 1.187 115 Y CA -1.338 56.637 58.100 -0.209 0.000 1.128 115 Y CB -0.210 38.170 38.460 -0.133 0.000 1.360 115 Y HN -0.320 nan 8.280 nan 0.000 0.467 116 S N 1.226 117.002 115.700 0.126 0.000 2.617 116 S HA 0.807 5.278 4.470 0.002 0.000 0.283 116 S C 0.418 175.122 174.600 0.174 0.000 1.189 116 S CA 0.116 58.339 58.200 0.039 0.000 1.036 116 S CB 1.006 64.218 63.200 0.019 0.000 1.014 116 S HN 1.870 nan 8.310 nan 0.000 0.522 117 G N 1.120 109.993 108.800 0.121 0.000 2.568 117 G HA2 -0.079 3.883 3.960 0.002 0.000 0.222 117 G HA3 -0.079 3.883 3.960 0.002 0.000 0.222 117 G C -0.268 174.731 174.900 0.166 0.000 1.321 117 G CA -0.129 45.070 45.100 0.165 0.000 0.893 117 G HN 0.966 nan 8.290 nan 0.000 0.569 118 T N -1.395 113.186 114.554 0.045 0.000 2.916 118 T HA 0.759 5.110 4.350 0.002 0.000 0.292 118 T C 1.083 175.631 174.700 -0.254 0.000 1.055 118 T CA 0.754 62.802 62.100 -0.087 0.000 1.009 118 T CB 1.533 70.181 68.868 -0.367 0.000 1.118 118 T HN 2.066 nan 8.240 nan 0.000 0.497 119 A N 2.108 124.639 122.820 -0.482 0.000 2.238 119 A HA 0.382 4.703 4.320 0.002 0.000 0.210 119 A C -0.418 176.645 177.584 -0.868 0.000 1.179 119 A CA 0.227 51.785 52.037 -0.798 0.000 0.827 119 A CB -0.186 18.154 19.000 -1.100 0.000 0.856 119 A HN 0.751 nan 8.150 nan 0.000 0.488 120 Y N 0.074 120.289 120.300 -0.143 0.000 2.326 120 Y HA 0.365 4.916 4.550 0.002 0.000 0.331 120 Y C 0.092 175.909 175.900 -0.138 0.000 0.962 120 Y CA -1.184 56.859 58.100 -0.095 0.000 1.167 120 Y CB 0.819 39.264 38.460 -0.024 0.000 1.148 120 Y HN 0.248 nan 8.280 nan 0.000 0.463 121 N N 1.099 119.843 118.700 0.073 0.000 2.725 121 N HA -0.232 4.509 4.740 0.002 0.000 0.251 121 N C 0.858 176.404 175.510 0.061 0.000 1.031 121 N CA 0.772 53.867 53.050 0.074 0.000 0.720 121 N CB -0.736 37.818 38.487 0.112 0.000 0.930 121 N HN 0.926 nan 8.380 nan 0.000 0.543 122 A N -0.239 122.589 122.820 0.015 0.000 2.019 122 A HA -0.030 4.292 4.320 0.002 0.000 0.219 122 A C 2.161 179.908 177.584 0.271 0.000 1.164 122 A CA 0.948 53.058 52.037 0.123 0.000 0.644 122 A CB -0.073 18.956 19.000 0.050 0.000 0.805 122 A HN 0.439 nan 8.150 nan 0.000 0.449 123 L N -0.749 120.575 121.223 0.169 0.000 2.554 123 L HA 0.146 4.488 4.340 0.002 0.000 0.226 123 L C 1.345 178.303 176.870 0.146 0.000 1.137 123 L CA -0.020 54.903 54.840 0.139 0.000 0.863 123 L CB -0.413 41.702 42.059 0.093 0.000 0.985 123 L HN 0.366 nan 8.230 nan 0.000 0.451 124 A N 0.803 123.743 122.820 0.200 0.000 2.450 124 A HA 0.396 4.718 4.320 0.002 0.000 0.255 124 A C -2.169 175.496 177.584 0.134 0.000 1.096 124 A CA -1.148 50.992 52.037 0.172 0.000 0.778 124 A CB -0.353 18.766 19.000 0.198 0.000 1.031 124 A HN -0.052 nan 8.150 nan 0.000 0.494 125 P HA 0.011 nan 4.420 nan 0.000 0.262 125 P C 0.291 177.569 177.300 -0.037 0.000 1.182 125 P CA 0.258 63.359 63.100 0.002 0.000 0.761 125 P CB 0.408 32.120 31.700 0.021 0.000 0.795 126 K N 1.983 122.278 120.400 -0.176 0.000 2.589 126 K HA -0.070 4.251 4.320 0.002 0.000 0.195 126 K C 1.624 178.167 176.600 -0.094 0.000 1.040 126 K CA 1.258 57.388 56.287 -0.263 0.000 0.950 126 K CB -0.339 31.903 32.500 -0.429 0.000 0.781 126 K HN 0.618 nan 8.250 nan 0.000 0.486 127 G N 0.205 108.979 108.800 -0.043 0.000 2.944 127 G HA2 0.197 4.158 3.960 0.002 0.000 0.223 127 G HA3 0.197 4.158 3.960 0.002 0.000 0.223 127 G C 0.130 175.042 174.900 0.020 0.000 1.071 127 G CA -0.115 44.978 45.100 -0.011 0.000 0.806 127 G HN 0.236 nan 8.290 nan 0.000 0.538 128 A N 2.090 124.938 122.820 0.046 0.000 2.520 128 A HA 0.571 4.892 4.320 0.002 0.000 0.245 128 A C -1.941 175.706 177.584 0.104 0.000 1.072 128 A CA -0.663 51.426 52.037 0.087 0.000 0.761 128 A CB 0.371 19.434 19.000 0.105 0.000 1.004 128 A HN 0.225 nan 8.150 nan 0.000 0.499 129 P HA 0.239 nan 4.420 nan 0.000 0.283 129 P C -0.798 176.605 177.300 0.172 0.000 1.278 129 P CA -0.876 62.297 63.100 0.122 0.000 0.834 129 P CB 0.990 32.736 31.700 0.077 0.000 1.150 130 N N 0.591 119.376 118.700 0.142 0.000 2.513 130 N HA 0.248 4.990 4.740 0.002 0.000 0.274 130 N C -2.219 173.392 175.510 0.168 0.000 1.189 130 N CA -1.357 51.771 53.050 0.130 0.000 0.975 130 N CB -0.586 37.957 38.487 0.093 0.000 1.157 130 N HN 0.242 nan 8.380 nan 0.000 0.465 131 P HA 0.001 nan 4.420 nan 0.000 0.260 131 P C -0.285 177.111 177.300 0.160 0.000 1.185 131 P CA 0.079 63.246 63.100 0.111 0.000 0.763 131 P CB 0.195 31.909 31.700 0.023 0.000 0.776 132 C N 1.821 121.279 119.300 0.263 0.000 3.307 132 C HA 0.773 5.234 4.460 0.002 0.000 0.350 132 C C -0.933 174.270 174.990 0.356 0.000 1.549 132 C CA -0.802 58.381 59.018 0.275 0.000 1.396 132 C CB 1.834 29.738 27.740 0.274 0.000 1.970 132 C HN 0.512 nan 8.230 nan 0.000 0.441 133 E N -0.746 119.666 120.200 0.354 0.000 2.383 133 E HA 0.668 5.019 4.350 0.002 0.000 0.275 133 E C -1.669 175.189 176.600 0.429 0.000 0.918 133 E CA -0.216 56.359 56.400 0.292 0.000 0.764 133 E CB 2.406 32.173 29.700 0.112 0.000 1.252 133 E HN 0.900 nan 8.360 nan 0.000 0.449 134 W N 0.388 121.756 121.300 0.114 0.000 2.923 134 W HA 0.582 5.243 4.660 0.002 0.000 0.373 134 W C -1.567 175.033 176.519 0.135 0.000 1.205 134 W CA -0.597 56.801 57.345 0.089 0.000 1.180 134 W CB 0.463 29.950 29.460 0.045 0.000 1.477 134 W HN 0.188 nan 8.180 nan 0.000 0.581 166 H N 0.195 118.849 119.070 -0.693 0.000 2.573 166 H HA 0.841 5.398 4.556 0.002 0.000 0.351 166 H C -0.411 174.456 175.328 -0.768 0.000 1.163 166 H CA -0.738 54.817 56.048 -0.822 0.000 1.205 166 H CB 1.450 30.441 29.762 -1.286 0.000 1.605 166 H HN 0.386 nan 8.280 nan 0.000 0.525 167 V N 2.344 122.089 119.914 -0.281 0.000 2.604 167 V HA 0.295 4.416 4.120 0.002 0.000 0.305 167 V C -1.226 174.934 176.094 0.110 0.000 1.043 167 V CA -0.794 61.453 62.300 -0.088 0.000 0.888 167 V CB 1.752 33.500 31.823 -0.125 0.000 0.995 167 V HN 0.639 nan 8.190 nan 0.000 0.429 168 F N 3.657 123.678 119.950 0.118 0.000 2.577 168 F HA 0.850 5.378 4.527 0.001 0.000 0.344 168 F C 0.200 176.047 175.800 0.079 0.000 1.145 168 F CA -0.102 57.994 58.000 0.161 0.000 0.996 168 F CB 1.312 40.511 39.000 0.333 0.000 1.248 168 F HN 0.645 nan 8.300 nan 0.000 0.447 169 G N 4.060 112.602 108.800 -0.431 0.000 2.911 169 G HA2 0.524 4.486 3.960 0.002 0.000 0.299 169 G HA3 0.524 4.486 3.960 0.002 0.000 0.299 169 G C -2.107 172.568 174.900 -0.375 0.000 1.283 169 G CA -0.765 44.132 45.100 -0.339 0.000 0.805 169 G HN 0.626 nan 8.290 nan 0.000 0.548 170 Q N -1.170 118.502 119.800 -0.213 0.000 2.309 170 Q HA 0.606 4.947 4.340 0.002 0.000 0.273 170 Q C -1.707 174.246 176.000 -0.079 0.000 1.040 170 Q CA -0.930 54.782 55.803 -0.153 0.000 0.834 170 Q CB 2.145 30.811 28.738 -0.120 0.000 1.345 170 Q HN 1.059 nan 8.270 nan 0.000 0.414 171 A N 4.721 127.509 122.820 -0.054 0.000 2.431 171 A HA 0.493 4.815 4.320 0.002 0.000 0.318 171 A C -2.193 175.404 177.584 0.021 0.000 1.330 171 A CA -1.164 50.874 52.037 0.002 0.000 0.804 171 A CB 0.723 19.726 19.000 0.005 0.000 1.135 171 A HN 0.737 nan 8.150 nan 0.000 0.483 172 P HA -0.016 nan 4.420 nan 0.000 0.228 172 P C 0.053 177.399 177.300 0.077 0.000 1.166 172 P CA 0.469 63.599 63.100 0.049 0.000 0.812 172 P CB 0.126 31.857 31.700 0.052 0.000 0.857 173 Y N 1.627 121.925 120.300 -0.003 0.000 2.335 173 Y HA 0.334 4.885 4.550 0.003 0.000 0.331 173 Y C 0.319 176.229 175.900 0.016 0.000 1.094 173 Y CA -0.339 57.760 58.100 -0.002 0.000 1.253 173 Y CB 0.656 39.106 38.460 -0.016 0.000 1.203 173 Y HN -0.197 nan 8.280 nan 0.000 0.508 174 S N 5.106 120.400 115.700 -0.677 0.000 2.420 174 S HA 0.673 5.145 4.470 0.002 0.000 0.313 174 S C 0.033 174.267 174.600 -0.609 0.000 1.079 174 S CA -0.221 57.718 58.200 -0.435 0.000 1.104 174 S CB -0.311 62.724 63.200 -0.275 0.000 0.969 174 S HN 1.049 nan 8.310 nan 0.000 0.471 175 G N 3.534 112.212 108.800 -0.203 0.000 2.552 175 G HA2 0.511 4.473 3.960 0.002 0.000 0.318 175 G HA3 0.511 4.473 3.960 0.002 0.000 0.318 175 G C 0.824 175.699 174.900 -0.042 0.000 1.240 175 G CA -0.810 44.266 45.100 -0.040 0.000 1.002 175 G HN 0.697 nan 8.290 nan 0.000 0.493 176 I N -0.543 119.981 120.570 -0.076 0.000 2.193 176 I HA 0.007 4.179 4.170 0.002 0.000 0.240 176 I C 0.982 176.854 176.117 -0.408 0.000 1.084 176 I CA 1.069 62.267 61.300 -0.169 0.000 1.365 176 I CB 0.062 37.975 38.000 -0.144 0.000 1.064 176 I HN 0.458 nan 8.210 nan 0.000 0.410 177 N N -0.978 117.512 118.700 -0.349 0.000 2.825 177 N HA 0.484 5.225 4.740 0.002 0.000 0.253 177 N C -1.569 173.944 175.510 0.005 0.000 1.426 177 N CA -0.591 52.156 53.050 -0.505 0.000 0.851 177 N CB 1.676 39.982 38.487 -0.301 0.000 1.470 177 N HN -0.058 nan 8.380 nan 0.000 0.517 178 I N 1.251 121.963 120.570 0.235 0.000 2.447 178 I HA 0.421 4.593 4.170 0.002 0.000 0.287 178 I C -0.161 176.117 176.117 0.268 0.000 1.023 178 I CA -0.514 60.991 61.300 0.341 0.000 1.083 178 I CB 1.820 40.063 38.000 0.405 0.000 1.245 178 I HN 0.712 nan 8.210 nan 0.000 0.434 179 T N 0.848 115.570 114.554 0.280 0.000 2.742 179 T HA 0.476 4.827 4.350 0.002 0.000 0.282 179 T C 0.939 175.632 174.700 -0.011 0.000 1.025 179 T CA -0.148 62.017 62.100 0.107 0.000 1.020 179 T CB 1.509 70.453 68.868 0.126 0.000 1.317 179 T HN 0.466 nan 8.240 nan 0.000 0.538 180 K N -0.176 120.122 120.400 -0.169 0.000 2.442 180 K HA -0.004 4.317 4.320 0.002 0.000 0.198 180 K C 1.695 178.238 176.600 -0.096 0.000 1.044 180 K CA 1.461 57.595 56.287 -0.256 0.000 0.948 180 K CB -1.055 31.304 32.500 -0.234 0.000 0.762 180 K HN 0.727 nan 8.250 nan 0.000 0.472 181 E N -0.781 119.298 120.200 -0.202 0.000 2.435 181 E HA 0.179 4.530 4.350 0.002 0.000 0.195 181 E C 1.088 177.574 176.600 -0.190 0.000 1.029 181 E CA 0.672 56.809 56.400 -0.439 0.000 0.865 181 E CB 0.207 29.108 29.700 -1.332 0.000 0.833 181 E HN 0.682 nan 8.360 nan 0.000 0.510 182 G N 1.302 110.195 108.800 0.155 0.000 2.384 182 G HA2 -0.204 3.757 3.960 0.002 0.000 0.204 182 G HA3 -0.204 3.757 3.960 0.002 0.000 0.204 182 G C -0.854 174.342 174.900 0.493 0.000 1.237 182 G CA -0.392 44.903 45.100 0.324 0.000 1.060 182 G HN 0.125 nan 8.290 nan 0.000 0.514 183 I N 1.156 122.012 120.570 0.477 0.000 2.474 183 I HA 0.504 4.676 4.170 0.002 0.000 0.287 183 I C 0.706 177.007 176.117 0.307 0.000 1.048 183 I CA -0.176 61.357 61.300 0.389 0.000 1.383 183 I CB 1.396 39.607 38.000 0.352 0.000 1.412 183 I HN 0.630 nan 8.210 nan 0.000 0.531 184 Q N 7.020 126.884 119.800 0.107 0.000 2.296 184 Q HA 0.331 4.672 4.340 0.002 0.000 0.257 184 Q C 0.582 176.551 176.000 -0.052 0.000 0.942 184 Q CA -0.334 55.338 55.803 -0.217 0.000 0.939 184 Q CB 0.841 29.354 28.738 -0.375 0.000 1.198 184 Q HN 0.803 nan 8.270 nan 0.000 0.429 185 I N 0.480 121.014 120.570 -0.060 0.000 3.883 185 I HA 0.501 4.672 4.170 0.002 0.000 0.326 185 I C 0.595 176.711 176.117 -0.001 0.000 1.283 185 I CA 0.104 61.431 61.300 0.044 0.000 1.161 185 I CB 0.382 38.373 38.000 -0.015 0.000 1.012 185 I HN 0.610 nan 8.210 nan 0.000 0.421 186 G N 0.813 109.563 108.800 -0.083 0.000 2.344 186 G HA2 0.489 4.450 3.960 0.002 0.000 0.282 186 G HA3 0.489 4.450 3.960 0.002 0.000 0.282 186 G C -1.605 173.231 174.900 -0.107 0.000 1.281 186 G CA -0.066 44.991 45.100 -0.071 0.000 0.877 186 G HN 0.530 nan 8.290 nan 0.000 0.494 187 V N -1.437 118.436 119.914 -0.068 0.000 2.559 187 V HA 0.866 4.987 4.120 0.002 0.000 0.289 187 V C -0.063 176.013 176.094 -0.031 0.000 1.036 187 V CA 0.532 62.795 62.300 -0.061 0.000 0.887 187 V CB 0.962 32.750 31.823 -0.058 0.000 1.022 187 V HN 1.898 nan 8.190 nan 0.000 0.442 188 E N 3.718 123.906 120.200 -0.020 0.000 1.944 188 E HA 0.619 4.971 4.350 0.002 0.000 0.272 188 E C 1.397 177.996 176.600 -0.002 0.000 1.195 188 E CA 0.754 57.151 56.400 -0.005 0.000 0.926 188 E CB 0.467 30.170 29.700 0.006 0.000 1.051 188 E HN 2.813 nan 8.360 nan 0.000 0.404 189 G N 1.041 109.839 108.800 -0.003 0.000 2.652 189 G HA2 -0.145 3.816 3.960 0.002 0.000 0.278 189 G HA3 -0.145 3.816 3.960 0.002 0.000 0.278 189 G C 1.327 176.224 174.900 -0.005 0.000 1.263 189 G CA 1.497 46.596 45.100 -0.002 0.000 0.966 189 G HN 1.766 nan 8.290 nan 0.000 0.544 190 Q N -0.723 119.076 119.800 -0.002 0.000 2.246 190 Q HA 0.610 4.951 4.340 0.002 0.000 0.222 190 Q C 1.247 177.246 176.000 -0.002 0.000 0.851 190 Q CA 1.599 57.400 55.803 -0.004 0.000 0.945 190 Q CB 0.305 29.043 28.738 0.000 0.000 1.122 190 Q HN 1.224 nan 8.270 nan 0.000 0.508 191 T N 2.879 117.435 114.554 0.002 0.000 2.909 191 T HA 0.499 4.851 4.350 0.002 0.000 0.286 191 T C -2.603 172.092 174.700 -0.009 0.000 1.002 191 T CA -1.435 60.673 62.100 0.012 0.000 1.074 191 T CB 1.587 70.472 68.868 0.027 0.000 0.984 191 T HN 0.168 nan 8.240 nan 0.000 0.495 192 P HA 0.407 nan 4.420 nan 0.000 0.281 192 P C -0.740 176.475 177.300 -0.141 0.000 1.252 192 P CA -0.381 62.645 63.100 -0.124 0.000 0.778 192 P CB 0.249 31.870 31.700 -0.131 0.000 0.895 193 K N 3.492 123.763 120.400 -0.216 0.000 2.263 193 K HA 0.390 4.711 4.320 0.002 0.000 0.272 193 K C -0.872 175.585 176.600 -0.239 0.000 1.033 193 K CA -0.463 55.753 56.287 -0.118 0.000 0.884 193 K CB -0.107 32.358 32.500 -0.059 0.000 1.107 193 K HN 0.423 nan 8.250 nan 0.000 0.460 194 Y N 0.792 121.101 120.300 0.015 0.000 2.403 194 Y HA 0.554 5.105 4.550 0.002 0.000 0.323 194 Y C 1.163 177.046 175.900 -0.030 0.000 1.226 194 Y CA -0.803 57.309 58.100 0.020 0.000 1.235 194 Y CB 1.854 40.344 38.460 0.051 0.000 1.248 194 Y HN 0.759 nan 8.280 nan 0.000 0.489 195 A N 1.304 124.185 122.820 0.101 0.000 2.498 195 A HA 0.046 4.368 4.320 0.002 0.000 0.239 195 A C -0.097 177.404 177.584 -0.139 0.000 1.068 195 A CA -0.336 51.620 52.037 -0.136 0.000 0.766 195 A CB -0.115 18.716 19.000 -0.281 0.000 1.003 195 A HN 0.712 nan 8.150 nan 0.000 0.497 196 D N 2.580 122.783 120.400 -0.327 0.000 2.352 196 D HA 0.327 4.968 4.640 0.002 0.000 0.245 196 D C 1.567 177.687 176.300 -0.300 0.000 1.224 196 D CA 0.618 54.470 54.000 -0.247 0.000 0.879 196 D CB 0.879 41.525 40.800 -0.255 0.000 1.057 196 D HN 0.639 nan 8.370 nan 0.000 0.491 197 K N 2.455 122.813 120.400 -0.070 0.000 2.127 197 K HA -0.264 4.057 4.320 0.002 0.000 0.212 197 K C 1.870 178.454 176.600 -0.027 0.000 1.050 197 K CA 2.531 58.838 56.287 0.033 0.000 0.929 197 K CB -1.822 30.793 32.500 0.191 0.000 0.715 197 K HN 0.723 nan 8.250 nan 0.000 0.457 198 T N -2.269 112.300 114.554 0.025 0.000 2.881 198 T HA -0.029 4.322 4.350 0.002 0.000 0.270 198 T C 1.513 176.309 174.700 0.162 0.000 1.068 198 T CA 1.564 63.728 62.100 0.106 0.000 1.131 198 T CB -0.445 68.526 68.868 0.172 0.000 0.871 198 T HN 1.106 nan 8.240 nan 0.000 0.479 199 F N -0.896 118.995 119.950 -0.098 0.000 3.031 199 F HA 0.529 5.058 4.527 0.003 0.000 0.365 199 F C -0.117 175.571 175.800 -0.187 0.000 1.128 199 F CA -1.201 56.729 58.000 -0.116 0.000 1.068 199 F CB 0.340 39.291 39.000 -0.082 0.000 1.280 199 F HN 0.015 nan 8.300 nan 0.000 0.529 200 Q N 3.845 123.150 119.800 -0.824 0.000 2.342 200 Q HA 0.470 4.811 4.340 0.002 0.000 0.267 200 Q C -2.665 172.796 176.000 -0.898 0.000 1.038 200 Q CA -2.344 52.963 55.803 -0.827 0.000 0.832 200 Q CB 2.523 30.680 28.738 -0.969 0.000 1.323 200 Q HN -0.028 nan 8.270 nan 0.000 0.448 201 P HA 0.028 nan 4.420 nan 0.000 0.274 201 P C -0.972 176.134 177.300 -0.324 0.000 1.256 201 P CA -0.234 62.527 63.100 -0.564 0.000 0.795 201 P CB 0.858 32.275 31.700 -0.472 0.000 1.038 202 E N 1.348 121.419 120.200 -0.216 0.000 2.174 202 E HA 0.176 4.527 4.350 0.002 0.000 0.282 202 E C -1.719 174.868 176.600 -0.023 0.000 0.992 202 E CA -1.790 54.572 56.400 -0.063 0.000 0.803 202 E CB 0.591 30.298 29.700 0.011 0.000 1.090 202 E HN 0.308 nan 8.360 nan 0.000 0.396 203 P HA -0.276 nan 4.420 nan 0.000 0.217 203 P C 0.859 178.181 177.300 0.036 0.000 1.148 203 P CA 1.505 64.617 63.100 0.019 0.000 0.834 203 P CB 0.164 31.878 31.700 0.022 0.000 0.783 204 Q N -1.008 118.815 119.800 0.039 0.000 2.224 204 Q HA -0.018 4.324 4.340 0.002 0.000 0.203 204 Q C 0.724 176.758 176.000 0.057 0.000 0.970 204 Q CA 0.676 56.508 55.803 0.048 0.000 0.865 204 Q CB -0.532 28.235 28.738 0.047 0.000 0.922 204 Q HN 0.287 nan 8.270 nan 0.000 0.445 205 I N 0.823 121.434 120.570 0.067 0.000 2.428 205 I HA 0.534 4.706 4.170 0.002 0.000 0.296 205 I C 0.364 176.553 176.117 0.121 0.000 0.985 205 I CA -0.559 60.802 61.300 0.101 0.000 1.260 205 I CB 1.610 39.693 38.000 0.138 0.000 1.389 205 I HN 0.125 nan 8.210 nan 0.000 0.484 206 G N 2.592 111.447 108.800 0.091 0.000 2.663 206 G HA2 0.591 4.552 3.960 0.002 0.000 0.299 206 G HA3 0.591 4.552 3.960 0.002 0.000 0.299 206 G C -0.979 173.924 174.900 0.005 0.000 1.372 206 G CA -0.383 44.749 45.100 0.054 0.000 0.781 206 G HN 0.676 nan 8.290 nan 0.000 0.491 207 E N -1.048 119.133 120.200 -0.032 0.000 2.415 207 E HA 0.520 4.871 4.350 0.002 0.000 0.262 207 E C 1.387 177.952 176.600 -0.058 0.000 1.038 207 E CA 0.777 57.135 56.400 -0.070 0.000 0.921 207 E CB 0.475 30.119 29.700 -0.093 0.000 0.950 207 E HN 1.509 nan 8.360 nan 0.000 0.438 208 S N 1.152 116.805 115.700 -0.077 0.000 2.406 208 S HA 0.096 4.567 4.470 0.002 0.000 0.224 208 S C 1.312 175.855 174.600 -0.094 0.000 1.030 208 S CA 1.185 59.349 58.200 -0.060 0.000 0.958 208 S CB 0.007 63.179 63.200 -0.046 0.000 0.811 208 S HN 0.683 nan 8.310 nan 0.000 0.489 209 Q N 0.695 120.361 119.800 -0.223 0.000 2.312 209 Q HA 0.346 4.688 4.340 0.002 0.000 0.236 209 Q C 0.798 176.578 176.000 -0.367 0.000 0.965 209 Q CA -0.643 54.916 55.803 -0.408 0.000 0.894 209 Q CB 0.026 28.223 28.738 -0.901 0.000 1.225 209 Q HN 0.717 nan 8.270 nan 0.000 0.478 210 W N 0.353 121.464 121.300 -0.316 0.000 2.576 210 W HA 0.062 4.724 4.660 0.002 0.000 0.270 210 W C -0.278 176.179 176.519 -0.104 0.000 1.255 210 W CA -0.325 56.932 57.345 -0.146 0.000 1.314 210 W CB -0.566 28.875 29.460 -0.032 0.000 1.101 210 W HN 0.636 nan 8.180 nan 0.000 0.595 211 Y N 1.345 121.156 120.300 -0.816 0.000 2.304 211 Y HA 0.571 5.122 4.550 0.002 0.000 0.327 211 Y C 0.377 176.098 175.900 -0.298 0.000 1.209 211 Y CA -1.836 55.867 58.100 -0.661 0.000 1.299 211 Y CB -0.474 37.313 38.460 -1.121 0.000 1.249 211 Y HN 0.053 nan 8.280 nan 0.000 0.519 212 E N 0.681 120.918 120.200 0.062 0.000 2.351 212 E HA 0.422 4.773 4.350 0.002 0.000 0.266 212 E C 0.673 177.328 176.600 0.092 0.000 1.031 212 E CA 0.277 56.703 56.400 0.044 0.000 0.911 212 E CB -0.070 29.654 29.700 0.040 0.000 0.986 212 E HN 1.035 nan 8.360 nan 0.000 0.446 213 T N 0.231 114.820 114.554 0.057 0.000 3.069 213 T HA 0.507 4.858 4.350 0.002 0.000 0.252 213 T C 0.969 175.679 174.700 0.017 0.000 1.053 213 T CA 1.698 63.838 62.100 0.067 0.000 0.964 213 T CB -0.486 68.417 68.868 0.058 0.000 1.005 213 T HN 1.993 nan 8.240 nan 0.000 0.532 214 E N -1.018 119.185 120.200 0.004 0.000 5.234 214 E HA 0.273 4.624 4.350 0.002 0.000 0.170 214 E C 0.068 176.661 176.600 -0.011 0.000 1.556 214 E CA 0.452 56.849 56.400 -0.006 0.000 1.185 214 E CB -2.880 26.817 29.700 -0.005 0.000 1.023 214 E HN 2.027 nan 8.360 nan 0.000 0.337 215 I N 1.868 122.427 120.570 -0.018 0.000 2.416 215 I HA 0.563 4.735 4.170 0.002 0.000 0.288 215 I C 1.158 177.260 176.117 -0.025 0.000 1.051 215 I CA 0.092 61.382 61.300 -0.017 0.000 1.375 215 I CB 1.052 39.036 38.000 -0.028 0.000 1.407 215 I HN 0.687 nan 8.210 nan 0.000 0.516 216 N N 1.814 120.503 118.700 -0.019 0.000 2.402 216 N HA 0.025 4.766 4.740 0.002 0.000 0.174 216 N C -0.224 175.069 175.510 -0.361 0.000 1.027 216 N CA 0.901 53.857 53.050 -0.157 0.000 0.891 216 N CB 0.236 38.642 38.487 -0.136 0.000 1.016 216 N HN 0.890 nan 8.380 nan 0.000 0.439 217 H N -0.083 119.000 119.070 0.022 0.000 2.736 217 H HA 0.586 5.144 4.556 0.003 0.000 0.271 217 H C -0.575 174.784 175.328 0.051 0.000 1.184 217 H CA -0.525 55.555 56.048 0.054 0.000 1.378 217 H CB 1.057 30.855 29.762 0.059 0.000 1.428 217 H HN 0.076 nan 8.280 nan 0.000 0.500 218 A N 2.129 125.023 122.820 0.123 0.000 2.311 218 A HA 0.937 5.258 4.320 0.002 0.000 0.334 218 A C -0.421 177.265 177.584 0.170 0.000 1.139 218 A CA -0.223 51.881 52.037 0.112 0.000 0.830 218 A CB 0.925 19.956 19.000 0.051 0.000 1.234 218 A HN 0.701 nan 8.150 nan 0.000 0.483 219 A N -0.246 122.697 122.820 0.205 0.000 2.527 219 A HA 0.992 5.313 4.320 0.002 0.000 0.293 219 A C -0.090 177.593 177.584 0.165 0.000 1.117 219 A CA -0.116 52.057 52.037 0.228 0.000 0.723 219 A CB 1.633 20.815 19.000 0.303 0.000 1.313 219 A HN 2.430 nan 8.150 nan 0.000 0.411 220 G N -0.248 108.640 108.800 0.146 0.000 2.495 220 G HA2 0.580 4.541 3.960 0.002 0.000 0.294 220 G HA3 0.580 4.541 3.960 0.002 0.000 0.294 220 G C -1.683 173.274 174.900 0.095 0.000 1.397 220 G CA -0.889 44.258 45.100 0.078 0.000 0.790 220 G HN 0.741 nan 8.290 nan 0.000 0.486 221 R N -1.086 119.443 120.500 0.048 0.000 2.711 221 R HA 0.807 5.148 4.340 0.002 0.000 0.284 221 R C -1.157 175.169 176.300 0.045 0.000 0.968 221 R CA -0.848 55.289 56.100 0.061 0.000 0.924 221 R CB 2.516 32.831 30.300 0.025 0.000 1.162 221 R HN 0.507 nan 8.270 nan 0.000 0.465 222 V N 3.211 123.159 119.914 0.056 0.000 3.159 222 V HA 0.505 4.626 4.120 0.002 0.000 0.308 222 V C -1.440 174.689 176.094 0.060 0.000 1.190 222 V CA -0.979 61.350 62.300 0.049 0.000 1.037 222 V CB 2.548 34.393 31.823 0.036 0.000 1.060 222 V HN 0.566 nan 8.190 nan 0.000 0.437 223 L N 4.131 125.396 121.223 0.071 0.000 2.282 223 L HA 0.536 4.877 4.340 0.002 0.000 0.288 223 L C 0.297 177.216 176.870 0.081 0.000 1.033 223 L CA -0.591 54.291 54.840 0.069 0.000 0.807 223 L CB 1.394 43.496 42.059 0.071 0.000 1.209 223 L HN 0.602 nan 8.230 nan 0.000 0.423 224 K N 1.975 122.414 120.400 0.065 0.000 2.336 224 K HA -0.020 4.301 4.320 0.002 0.000 0.262 224 K C 1.032 177.682 176.600 0.084 0.000 0.992 224 K CA -0.106 56.221 56.287 0.065 0.000 0.927 224 K CB 0.669 33.197 32.500 0.046 0.000 0.956 224 K HN 0.545 nan 8.250 nan 0.000 0.495 225 K N -0.239 120.215 120.400 0.090 0.000 2.442 225 K HA -0.111 4.211 4.320 0.002 0.000 0.198 225 K C 1.136 177.790 176.600 0.090 0.000 1.044 225 K CA 1.677 58.034 56.287 0.116 0.000 0.948 225 K CB -0.223 32.347 32.500 0.115 0.000 0.762 225 K HN 0.619 nan 8.250 nan 0.000 0.472 226 T N -1.881 112.712 114.554 0.065 0.000 3.085 226 T HA -0.008 4.343 4.350 0.002 0.000 0.263 226 T C 0.665 175.391 174.700 0.044 0.000 1.127 226 T CA 0.191 62.320 62.100 0.049 0.000 1.103 226 T CB -0.120 68.770 68.868 0.037 0.000 0.921 226 T HN 0.044 nan 8.240 nan 0.000 0.510 227 T N 5.157 119.741 114.554 0.050 0.000 2.744 227 T HA 0.391 4.743 4.350 0.002 0.000 0.291 227 T C -2.544 172.185 174.700 0.049 0.000 0.957 227 T CA -1.375 60.749 62.100 0.041 0.000 1.002 227 T CB 1.365 70.255 68.868 0.036 0.000 0.919 227 T HN 0.192 nan 8.240 nan 0.000 0.468 228 P HA 0.066 nan 4.420 nan 0.000 0.266 228 P C -0.376 176.945 177.300 0.035 0.000 1.195 228 P CA -0.157 62.963 63.100 0.034 0.000 0.768 228 P CB 0.533 32.246 31.700 0.022 0.000 0.838 229 M N 2.947 122.566 119.600 0.032 0.000 2.228 229 M HA 0.201 4.682 4.480 0.002 0.000 0.351 229 M C 0.649 176.958 176.300 0.015 0.000 1.233 229 M CA 0.695 56.011 55.300 0.027 0.000 1.129 229 M CB 0.260 32.859 32.600 -0.002 0.000 1.604 229 M HN 0.164 nan 8.290 nan 0.000 0.457 230 K N 3.107 123.525 120.400 0.029 0.000 2.523 230 K HA 0.530 4.852 4.320 0.002 0.000 0.257 230 K C -2.766 173.866 176.600 0.052 0.000 0.932 230 K CA -1.897 54.410 56.287 0.034 0.000 0.812 230 K CB 1.816 34.339 32.500 0.038 0.000 1.326 230 K HN 0.213 nan 8.250 nan 0.000 0.433 231 P HA 0.030 nan 4.420 nan 0.000 0.268 231 P C 0.922 178.294 177.300 0.120 0.000 1.208 231 P CA -0.160 62.994 63.100 0.090 0.000 0.777 231 P CB 0.599 32.359 31.700 0.101 0.000 0.875 232 C N 3.330 122.711 119.300 0.135 0.000 2.413 232 C HA -0.166 4.296 4.460 0.002 0.000 0.276 232 C C 1.382 176.476 174.990 0.173 0.000 1.236 232 C CA 0.443 59.544 59.018 0.139 0.000 1.735 232 C CB -1.579 26.245 27.740 0.139 0.000 2.031 232 C HN 0.525 nan 8.230 nan 0.000 0.474 233 Y N 1.212 121.555 120.300 0.071 0.000 2.745 233 Y HA 0.366 4.918 4.550 0.002 0.000 0.335 233 Y C 1.220 177.180 175.900 0.099 0.000 1.212 233 Y CA 1.300 59.447 58.100 0.079 0.000 1.535 233 Y CB -0.062 38.427 38.460 0.049 0.000 1.220 233 Y HN 0.661 nan 8.280 nan 0.000 0.531 234 G N 3.016 111.688 108.800 -0.212 0.000 2.195 234 G HA2 -0.278 3.683 3.960 0.002 0.000 0.246 234 G HA3 -0.278 3.683 3.960 0.002 0.000 0.246 234 G C 0.236 175.195 174.900 0.099 0.000 0.984 234 G CA 0.140 45.207 45.100 -0.055 0.000 0.633 234 G HN 0.716 nan 8.290 nan 0.000 0.525 235 S N 0.228 115.977 115.700 0.082 0.000 2.531 235 S HA 0.557 5.028 4.470 0.002 0.000 0.279 235 S C -0.478 174.108 174.600 -0.023 0.000 1.305 235 S CA 0.071 58.296 58.200 0.041 0.000 1.058 235 S CB 0.997 64.225 63.200 0.046 0.000 0.899 235 S HN 0.752 nan 8.310 nan 0.000 0.493 236 Y N 1.413 121.544 120.300 -0.283 0.000 2.534 236 Y HA 0.626 5.178 4.550 0.002 0.000 0.345 236 Y C -1.097 174.655 175.900 -0.246 0.000 1.031 236 Y CA -0.993 56.828 58.100 -0.465 0.000 1.022 236 Y CB 1.403 39.261 38.460 -1.003 0.000 1.292 236 Y HN 0.668 nan 8.280 nan 0.000 0.459 237 A N 5.695 127.810 122.820 -1.175 0.000 2.485 237 A HA 0.478 4.800 4.320 0.002 0.000 0.285 237 A C -1.460 175.549 177.584 -0.959 0.000 1.045 237 A CA -1.000 50.534 52.037 -0.839 0.000 0.792 237 A CB 0.678 19.457 19.000 -0.368 0.000 1.307 237 A HN 0.803 nan 8.150 nan 0.000 0.406 238 K N 3.419 123.357 120.400 -0.770 0.000 2.485 238 K HA 0.346 4.667 4.320 0.002 0.000 0.277 238 K C -2.358 174.128 176.600 -0.191 0.000 0.990 238 K CA -0.635 55.442 56.287 -0.350 0.000 0.994 238 K CB 0.389 32.838 32.500 -0.084 0.000 0.906 238 K HN 0.367 nan 8.250 nan 0.000 0.488 239 P HA 0.007 nan 4.420 nan 0.000 0.278 239 P C -0.122 177.157 177.300 -0.035 0.000 1.238 239 P CA -0.388 62.678 63.100 -0.056 0.000 0.794 239 P CB 1.331 33.015 31.700 -0.026 0.000 0.955 240 T N -1.653 112.884 114.554 -0.028 0.000 3.092 240 T HA 0.193 4.545 4.350 0.002 0.000 0.258 240 T C 0.238 174.931 174.700 -0.012 0.000 1.031 240 T CA -0.320 61.770 62.100 -0.016 0.000 0.925 240 T CB -0.753 68.109 68.868 -0.010 0.000 1.036 240 T HN 0.612 nan 8.240 nan 0.000 0.544 241 N N -1.652 117.034 118.700 -0.023 0.000 2.405 241 N HA 0.477 5.219 4.740 0.002 0.000 0.274 241 N C 0.560 176.023 175.510 -0.078 0.000 1.170 241 N CA -0.290 52.736 53.050 -0.040 0.000 0.848 241 N CB 0.698 39.169 38.487 -0.027 0.000 1.629 241 N HN -0.075 nan 8.380 nan 0.000 0.481 242 E N 0.287 120.430 120.200 -0.094 0.000 2.393 242 E HA -0.222 4.130 4.350 0.002 0.000 0.201 242 E C 0.496 176.984 176.600 -0.187 0.000 1.025 242 E CA 1.632 57.964 56.400 -0.113 0.000 0.856 242 E CB -0.848 28.791 29.700 -0.102 0.000 0.771 242 E HN 0.616 nan 8.360 nan 0.000 0.526 243 N N -0.903 117.619 118.700 -0.296 0.000 2.322 243 N HA 0.207 4.949 4.740 0.002 0.000 0.194 243 N C 1.331 176.686 175.510 -0.259 0.000 1.126 243 N CA 0.821 53.571 53.050 -0.499 0.000 0.845 243 N CB 1.194 38.878 38.487 -1.339 0.000 0.976 243 N HN 0.598 nan 8.380 nan 0.000 0.475 244 G N -0.017 108.711 108.800 -0.119 0.000 2.175 244 G HA2 -0.216 3.746 3.960 0.002 0.000 0.244 244 G HA3 -0.216 3.746 3.960 0.002 0.000 0.244 244 G C 0.495 175.398 174.900 0.006 0.000 0.982 244 G CA -0.086 44.993 45.100 -0.035 0.000 0.641 244 G HN 0.553 nan 8.290 nan 0.000 0.527 245 G N -0.600 108.219 108.800 0.031 0.000 2.491 245 G HA2 0.472 4.434 3.960 0.002 0.000 0.242 245 G HA3 0.472 4.434 3.960 0.002 0.000 0.242 245 G C 0.495 175.398 174.900 0.004 0.000 1.266 245 G CA 0.340 45.473 45.100 0.056 0.000 0.844 245 G HN 0.466 nan 8.290 nan 0.000 0.571 246 Q N 0.472 120.266 119.800 -0.010 0.000 2.171 246 Q HA 0.221 4.562 4.340 0.002 0.000 0.218 246 Q C 1.302 177.284 176.000 -0.031 0.000 0.822 246 Q CA -0.208 55.567 55.803 -0.046 0.000 0.987 246 Q CB 1.276 29.961 28.738 -0.089 0.000 1.144 246 Q HN 0.641 nan 8.270 nan 0.000 0.494 247 G N 1.194 109.993 108.800 -0.002 0.000 2.353 247 G HA2 0.180 4.141 3.960 0.002 0.000 0.239 247 G HA3 0.180 4.141 3.960 0.002 0.000 0.239 247 G C -0.098 174.803 174.900 0.002 0.000 1.295 247 G CA -0.340 44.764 45.100 0.007 0.000 0.884 247 G HN 0.204 nan 8.290 nan 0.000 0.537 248 I N 1.544 122.114 120.570 -0.000 0.000 2.588 248 I HA 0.071 4.243 4.170 0.002 0.000 0.283 248 I C 0.479 176.600 176.117 0.007 0.000 1.119 248 I CA 0.064 61.364 61.300 -0.001 0.000 1.419 248 I CB 0.733 38.733 38.000 -0.002 0.000 1.394 248 I HN 0.142 nan 8.210 nan 0.000 0.562 249 L N 6.818 128.044 121.223 0.006 0.000 2.322 249 L HA 0.617 4.958 4.340 0.002 0.000 0.279 249 L C -0.137 176.738 176.870 0.008 0.000 1.036 249 L CA -0.568 54.277 54.840 0.009 0.000 0.807 249 L CB 1.685 43.750 42.059 0.009 0.000 1.226 249 L HN 0.338 nan 8.230 nan 0.000 0.433 258 E N 0.799 121.007 120.200 0.013 0.000 2.369 258 E HA 0.896 5.247 4.350 0.002 0.000 0.270 258 E C 0.210 176.822 176.600 0.020 0.000 0.909 258 E CA -0.185 56.225 56.400 0.017 0.000 0.775 258 E CB 1.765 31.474 29.700 0.016 0.000 1.270 258 E HN 2.162 nan 8.360 nan 0.000 0.445 259 S N -0.024 115.692 115.700 0.026 0.000 2.579 259 S HA 0.145 4.616 4.470 0.002 0.000 0.275 259 S C 0.098 174.714 174.600 0.027 0.000 1.345 259 S CA 0.025 58.244 58.200 0.031 0.000 1.031 259 S CB 0.460 63.687 63.200 0.044 0.000 0.892 259 S HN 0.522 nan 8.310 nan 0.000 0.529 260 Q N 1.997 121.813 119.800 0.027 0.000 2.159 260 Q HA 0.223 4.565 4.340 0.002 0.000 0.217 260 Q C -0.324 175.691 176.000 0.025 0.000 0.818 260 Q CA -0.098 55.719 55.803 0.022 0.000 1.008 260 Q CB 0.406 29.155 28.738 0.017 0.000 1.148 260 Q HN 0.527 nan 8.270 nan 0.000 0.491 261 V N 2.264 122.201 119.914 0.039 0.000 2.617 261 V HA 0.213 4.335 4.120 0.002 0.000 0.304 261 V C 0.566 176.671 176.094 0.018 0.000 1.040 261 V CA 0.706 63.036 62.300 0.051 0.000 1.149 261 V CB 0.300 32.186 31.823 0.105 0.000 0.914 261 V HN 0.379 nan 8.190 nan 0.000 0.487 262 E N 5.445 125.636 120.200 -0.015 0.000 2.218 262 E HA 0.643 4.994 4.350 0.002 0.000 0.263 262 E C -0.517 175.982 176.600 -0.168 0.000 0.879 262 E CA -0.811 55.550 56.400 -0.066 0.000 0.762 262 E CB 1.477 31.154 29.700 -0.038 0.000 1.166 262 E HN 0.724 nan 8.360 nan 0.000 0.415 263 M N 1.804 121.226 119.600 -0.297 0.000 2.238 263 M HA 0.249 4.730 4.480 0.002 0.000 0.347 263 M C 0.020 176.019 176.300 -0.500 0.000 1.173 263 M CA 0.342 55.280 55.300 -0.603 0.000 1.147 263 M CB 0.752 32.854 32.600 -0.830 0.000 1.547 263 M HN 0.585 nan 8.290 nan 0.000 0.455 264 Q N 2.948 122.411 119.800 -0.561 0.000 2.290 264 Q HA 0.466 4.807 4.340 0.002 0.000 0.269 264 Q C -1.617 174.070 176.000 -0.522 0.000 1.016 264 Q CA -0.388 55.190 55.803 -0.375 0.000 0.754 264 Q CB 1.716 30.424 28.738 -0.049 0.000 1.247 264 Q HN 0.466 nan 8.270 nan 0.000 0.451 265 F N 1.890 121.611 119.950 -0.381 0.000 2.385 265 F HA 0.578 5.106 4.527 0.002 0.000 0.336 265 F C -0.178 175.268 175.800 -0.589 0.000 1.100 265 F CA -0.560 57.278 58.000 -0.270 0.000 1.116 265 F CB 0.692 39.591 39.000 -0.168 0.000 1.166 265 F HN 0.352 nan 8.300 nan 0.000 0.511 266 F N 0.472 120.495 119.950 0.122 0.000 2.565 266 F HA 0.585 5.112 4.527 0.001 0.000 0.313 266 F C 0.014 175.843 175.800 0.048 0.000 1.091 266 F CA -0.791 57.242 58.000 0.055 0.000 0.915 266 F CB 2.174 41.180 39.000 0.010 0.000 1.208 266 F HN 0.382 nan 8.300 nan 0.000 0.453 267 S N 0.085 115.892 115.700 0.179 0.000 2.634 267 S HA 0.670 5.141 4.470 0.002 0.000 0.296 267 S C -0.578 174.075 174.600 0.088 0.000 1.104 267 S CA -0.614 57.645 58.200 0.099 0.000 0.920 267 S CB 1.334 64.561 63.200 0.046 0.000 1.111 267 S HN 0.783 nan 8.310 nan 0.000 0.493 268 T N 0.700 115.285 114.554 0.051 0.000 2.898 268 T HA 0.264 4.615 4.350 0.002 0.000 0.301 268 T C 0.209 174.929 174.700 0.033 0.000 1.049 268 T CA -0.284 61.840 62.100 0.039 0.000 1.095 268 T CB 0.159 69.039 68.868 0.020 0.000 0.976 268 T HN 0.482 nan 8.240 nan 0.000 0.539 269 T N 2.753 117.327 114.554 0.032 0.000 3.859 269 T HA 0.536 4.888 4.350 0.002 0.000 0.251 269 T C 0.430 175.140 174.700 0.016 0.000 1.079 269 T CA 0.635 62.750 62.100 0.025 0.000 1.151 269 T CB -1.507 67.376 68.868 0.026 0.000 1.173 269 T HN 1.025 nan 8.240 nan 0.000 0.885 280 T N 1.477 116.029 114.554 -0.004 0.000 2.907 280 T HA 0.642 4.994 4.350 0.002 0.000 0.298 280 T C -2.271 172.440 174.700 0.017 0.000 1.017 280 T CA -1.205 60.900 62.100 0.007 0.000 1.118 280 T CB 0.175 69.063 68.868 0.034 0.000 0.948 280 T HN 0.288 nan 8.240 nan 0.000 0.531 281 P HA 0.356 nan 4.420 nan 0.000 0.271 281 P C 0.504 177.852 177.300 0.080 0.000 1.216 281 P CA -0.214 62.943 63.100 0.095 0.000 0.776 281 P CB 0.969 32.779 31.700 0.183 0.000 0.881 282 K N 1.927 122.366 120.400 0.066 0.000 2.276 282 K HA 0.234 4.556 4.320 0.002 0.000 0.198 282 K C 0.914 177.550 176.600 0.060 0.000 1.052 282 K CA 0.821 57.103 56.287 -0.008 0.000 0.984 282 K CB -0.074 32.415 32.500 -0.019 0.000 0.836 282 K HN 0.411 nan 8.250 nan 0.000 0.490 283 V N 0.724 120.724 119.914 0.143 0.000 2.823 283 V HA 0.623 4.745 4.120 0.002 0.000 0.312 283 V C -1.094 175.130 176.094 0.217 0.000 1.072 283 V CA -1.018 61.378 62.300 0.159 0.000 0.937 283 V CB 2.109 33.995 31.823 0.104 0.000 1.013 283 V HN 0.115 nan 8.190 nan 0.000 0.430 284 V N 4.923 124.924 119.914 0.145 0.000 2.525 284 V HA 0.518 4.639 4.120 0.002 0.000 0.299 284 V C -0.631 175.471 176.094 0.014 0.000 1.034 284 V CA -0.411 61.876 62.300 -0.021 0.000 0.863 284 V CB 1.741 33.534 31.823 -0.050 0.000 0.999 284 V HN 0.623 nan 8.190 nan 0.000 0.423 285 L N 4.666 125.860 121.223 -0.048 0.000 2.322 285 L HA 0.558 4.900 4.340 0.002 0.000 0.281 285 L C -1.245 175.571 176.870 -0.090 0.000 1.014 285 L CA -0.733 54.127 54.840 0.033 0.000 0.815 285 L CB 1.886 43.983 42.059 0.064 0.000 1.247 285 L HN 0.557 nan 8.230 nan 0.000 0.421 286 Y N 1.511 121.770 120.300 -0.068 0.000 2.594 286 Y HA 0.173 4.725 4.550 0.002 0.000 0.342 286 Y C 0.910 176.789 175.900 -0.036 0.000 1.010 286 Y CA -0.643 57.414 58.100 -0.071 0.000 1.270 286 Y CB 0.830 39.245 38.460 -0.074 0.000 1.125 286 Y HN 0.518 nan 8.280 nan 0.000 0.513 287 S N 2.803 118.529 115.700 0.044 0.000 2.580 287 S HA 0.645 5.116 4.470 0.002 0.000 0.274 287 S C -0.295 174.335 174.600 0.051 0.000 1.329 287 S CA -0.661 57.568 58.200 0.049 0.000 1.036 287 S CB 1.433 64.653 63.200 0.033 0.000 0.919 287 S HN 0.725 nan 8.310 nan 0.000 0.515 288 E N 0.350 120.579 120.200 0.048 0.000 2.429 288 E HA 0.380 4.732 4.350 0.002 0.000 0.280 288 E C -2.116 174.502 176.600 0.031 0.000 1.068 288 E CA -1.003 55.421 56.400 0.040 0.000 0.837 288 E CB 0.792 30.519 29.700 0.044 0.000 1.357 288 E HN 0.482 nan 8.360 nan 0.000 0.455 289 D N 1.114 121.527 120.400 0.022 0.000 2.217 289 D HA 0.450 5.091 4.640 0.002 0.000 0.243 289 D C -0.489 175.812 176.300 0.001 0.000 1.054 289 D CA -0.308 53.701 54.000 0.015 0.000 0.838 289 D CB 2.153 42.962 40.800 0.015 0.000 1.162 289 D HN 0.434 nan 8.370 nan 0.000 0.472 290 V N -0.737 119.171 119.914 -0.011 0.000 2.914 290 V HA 0.410 4.531 4.120 0.002 0.000 0.314 290 V C 0.095 176.160 176.094 -0.049 0.000 1.084 290 V CA -0.958 61.318 62.300 -0.040 0.000 0.963 290 V CB 2.403 34.191 31.823 -0.059 0.000 1.025 290 V HN 0.326 nan 8.190 nan 0.000 0.432 291 D N 2.856 123.213 120.400 -0.072 0.000 2.671 291 D HA 0.167 4.808 4.640 0.002 0.000 0.228 291 D C 0.113 176.357 176.300 -0.094 0.000 1.102 291 D CA 0.126 54.087 54.000 -0.065 0.000 1.044 291 D CB 0.116 40.879 40.800 -0.063 0.000 1.113 291 D HN 0.700 nan 8.370 nan 0.000 0.480 292 I N 2.420 122.949 120.570 -0.069 0.000 2.618 292 I HA 0.004 4.176 4.170 0.002 0.000 0.284 292 I C 0.218 176.319 176.117 -0.027 0.000 1.146 292 I CA 0.218 61.477 61.300 -0.068 0.000 1.425 292 I CB 0.283 38.262 38.000 -0.034 0.000 1.383 292 I HN 0.270 nan 8.210 nan 0.000 0.562 293 E N 3.867 124.058 120.200 -0.014 0.000 2.408 293 E HA 0.462 4.813 4.350 0.002 0.000 0.275 293 E C -1.304 175.329 176.600 0.056 0.000 0.935 293 E CA -0.922 55.503 56.400 0.042 0.000 0.775 293 E CB 1.736 31.486 29.700 0.083 0.000 1.277 293 E HN 0.456 nan 8.360 nan 0.000 0.455 294 T N -0.997 113.595 114.554 0.064 0.000 3.327 294 T HA 0.315 4.666 4.350 0.002 0.000 0.373 294 T C -1.792 172.962 174.700 0.090 0.000 1.589 294 T CA -1.424 60.722 62.100 0.078 0.000 1.497 294 T CB 0.820 69.735 68.868 0.079 0.000 1.032 294 T HN 0.330 nan 8.240 nan 0.000 0.640 295 P HA -0.016 nan 4.420 nan 0.000 0.223 295 P C 0.318 177.665 177.300 0.079 0.000 1.151 295 P CA 1.134 64.283 63.100 0.083 0.000 0.787 295 P CB 0.167 31.909 31.700 0.069 0.000 0.788 296 D N -1.322 119.148 120.400 0.117 0.000 2.563 296 D HA 0.070 4.711 4.640 0.002 0.000 0.237 296 D C 0.204 176.559 176.300 0.092 0.000 1.282 296 D CA -0.247 53.791 54.000 0.064 0.000 0.816 296 D CB -0.321 40.513 40.800 0.057 0.000 1.066 296 D HN 0.142 nan 8.370 nan 0.000 0.501 297 T N -2.673 111.960 114.554 0.132 0.000 2.865 297 T HA 0.624 4.976 4.350 0.002 0.000 0.294 297 T C -0.589 174.244 174.700 0.222 0.000 1.119 297 T CA -0.863 61.343 62.100 0.176 0.000 1.007 297 T CB 2.494 71.444 68.868 0.136 0.000 1.225 297 T HN 0.307 nan 8.240 nan 0.000 0.515 298 H N -0.467 118.633 119.070 0.050 0.000 2.977 298 H HA 0.544 5.102 4.556 0.003 0.000 0.350 298 H C -1.153 174.192 175.328 0.028 0.000 1.238 298 H CA -1.440 54.621 56.048 0.021 0.000 1.124 298 H CB 0.754 30.504 29.762 -0.020 0.000 1.866 298 H HN 0.523 nan 8.280 nan 0.000 0.550 299 I N 2.619 123.195 120.570 0.009 0.000 2.452 299 I HA -0.045 4.127 4.170 0.002 0.000 0.287 299 I C 1.511 177.572 176.117 -0.093 0.000 1.079 299 I CA 0.217 61.486 61.300 -0.052 0.000 1.387 299 I CB 0.986 38.975 38.000 -0.019 0.000 1.404 299 I HN 0.761 nan 8.210 nan 0.000 0.522 300 S N 5.865 121.493 115.700 -0.120 0.000 2.524 300 S HA 0.017 4.489 4.470 0.002 0.000 0.216 300 S C 0.111 174.756 174.600 0.074 0.000 0.987 300 S CA 0.079 58.232 58.200 -0.079 0.000 0.909 300 S CB -0.036 63.087 63.200 -0.127 0.000 0.781 300 S HN 0.597 nan 8.310 nan 0.000 0.521 301 Y N 1.280 121.536 120.300 -0.074 0.000 2.294 301 Y HA 0.557 5.108 4.550 0.002 0.000 0.329 301 Y C -1.309 174.563 175.900 -0.046 0.000 1.135 301 Y CA -1.345 56.723 58.100 -0.053 0.000 1.213 301 Y CB 1.017 39.442 38.460 -0.057 0.000 1.141 301 Y HN 0.048 nan 8.280 nan 0.000 0.446 302 M N 9.033 128.314 119.600 -0.532 0.000 2.063 302 M HA 0.333 4.815 4.480 0.002 0.000 0.348 302 M C -1.979 173.886 176.300 -0.725 0.000 1.180 302 M CA -2.625 52.380 55.300 -0.492 0.000 1.059 302 M CB 1.121 33.576 32.600 -0.241 0.000 1.544 302 M HN 0.455 nan 8.290 nan 0.000 0.447 303 P HA -0.018 nan 4.420 nan 0.000 0.214 303 P C -0.142 177.007 177.300 -0.250 0.000 1.162 303 P CA 1.155 63.959 63.100 -0.492 0.000 0.874 303 P CB 0.358 31.891 31.700 -0.279 0.000 0.784 304 T N -2.156 112.279 114.554 -0.198 0.000 2.907 304 T HA 0.497 4.848 4.350 0.002 0.000 0.292 304 T C 1.244 175.879 174.700 -0.109 0.000 1.043 304 T CA -0.250 61.774 62.100 -0.127 0.000 1.003 304 T CB 1.521 70.329 68.868 -0.101 0.000 1.084 304 T HN -0.212 nan 8.240 nan 0.000 0.483 305 I N -0.083 120.440 120.570 -0.078 0.000 2.716 305 I HA 0.451 4.623 4.170 0.002 0.000 0.259 305 I C 1.591 177.679 176.117 -0.048 0.000 1.172 305 I CA 0.875 62.139 61.300 -0.060 0.000 1.478 305 I CB -1.901 36.073 38.000 -0.043 0.000 1.104 305 I HN 0.866 nan 8.210 nan 0.000 0.439 306 K N 1.936 122.309 120.400 -0.045 0.000 2.511 306 K HA 0.469 4.790 4.320 0.002 0.000 0.280 306 K C 0.380 176.960 176.600 -0.033 0.000 1.008 306 K CA 0.586 56.853 56.287 -0.033 0.000 1.050 306 K CB -1.612 30.870 32.500 -0.031 0.000 0.889 306 K HN 1.551 nan 8.250 nan 0.000 0.484 307 E N 0.234 120.422 120.200 -0.019 0.000 2.371 307 E HA 0.609 4.960 4.350 0.002 0.000 0.257 307 E C 0.945 177.541 176.600 -0.006 0.000 1.134 307 E CA -0.014 56.379 56.400 -0.013 0.000 0.919 307 E CB 0.394 30.091 29.700 -0.005 0.000 1.025 307 E HN 2.356 nan 8.360 nan 0.000 0.438 308 G N 0.897 109.697 108.800 0.001 0.000 2.719 308 G HA2 -0.096 3.866 3.960 0.002 0.000 0.686 308 G HA3 -0.096 3.866 3.960 0.002 0.000 0.686 308 G C -0.504 174.403 174.900 0.012 0.000 1.201 308 G CA -0.352 44.758 45.100 0.018 0.000 0.768 308 G HN 0.818 nan 8.290 nan 0.000 0.629 309 N N 0.519 119.245 118.700 0.043 0.000 2.497 309 N HA 0.574 5.316 4.740 0.002 0.000 0.268 309 N C 0.577 176.112 175.510 0.040 0.000 1.171 309 N CA 0.711 53.786 53.050 0.040 0.000 0.948 309 N CB 1.448 40.006 38.487 0.118 0.000 1.069 309 N HN 1.276 nan 8.380 nan 0.000 0.460 310 S N -0.415 115.195 115.700 -0.149 0.000 2.638 310 S HA 0.638 5.109 4.470 0.002 0.000 0.274 310 S C 1.074 175.173 174.600 -0.835 0.000 1.157 310 S CA -0.567 57.449 58.200 -0.308 0.000 0.826 310 S CB 1.444 64.552 63.200 -0.154 0.000 1.139 310 S HN 0.563 nan 8.310 nan 0.000 0.474 311 R N 0.063 119.930 120.500 -1.055 0.000 2.105 311 R HA 0.089 4.430 4.340 0.002 0.000 0.239 311 R C 2.521 178.462 176.300 -0.599 0.000 1.135 311 R CA 2.912 58.355 56.100 -1.095 0.000 0.967 311 R CB -2.366 27.623 30.300 -0.518 0.000 0.861 311 R HN 1.134 nan 8.270 nan 0.000 0.442 312 E N 1.128 121.100 120.200 -0.379 0.000 2.070 312 E HA -0.066 4.285 4.350 0.002 0.000 0.197 312 E C 2.143 178.597 176.600 -0.242 0.000 1.004 312 E CA 1.378 57.631 56.400 -0.245 0.000 0.805 312 E CB -0.652 28.945 29.700 -0.172 0.000 0.744 312 E HN 0.637 nan 8.360 nan 0.000 0.451 313 L N -0.499 120.563 121.223 -0.268 0.000 2.450 313 L HA -0.058 4.283 4.340 0.002 0.000 0.224 313 L C 2.748 179.492 176.870 -0.210 0.000 1.149 313 L CA 0.793 55.506 54.840 -0.213 0.000 0.816 313 L CB -0.271 41.681 42.059 -0.179 0.000 0.932 313 L HN 0.404 nan 8.230 nan 0.000 0.449 314 M N -1.025 118.394 119.600 -0.301 0.000 2.557 314 M HA -0.049 4.432 4.480 0.002 0.000 0.259 314 M C 1.708 177.904 176.300 -0.174 0.000 1.086 314 M CA 1.066 56.199 55.300 -0.279 0.000 1.096 314 M CB -0.279 32.049 32.600 -0.454 0.000 1.424 314 M HN 0.284 nan 8.290 nan 0.000 0.488 315 G N 0.343 109.069 108.800 -0.123 0.000 3.189 315 G HA2 0.047 4.008 3.960 0.002 0.000 0.225 315 G HA3 0.047 4.008 3.960 0.002 0.000 0.225 315 G C 0.332 175.293 174.900 0.102 0.000 1.159 315 G CA -0.397 44.695 45.100 -0.013 0.000 0.763 315 G HN 0.554 nan 8.290 nan 0.000 0.549 316 Q N 0.045 119.856 119.800 0.019 0.000 2.340 316 Q HA 0.478 4.819 4.340 0.002 0.000 0.249 316 Q C -0.783 175.260 176.000 0.072 0.000 0.957 316 Q CA -0.172 55.655 55.803 0.040 0.000 0.882 316 Q CB 0.935 29.636 28.738 -0.062 0.000 1.235 316 Q HN 0.224 nan 8.270 nan 0.000 0.439 317 Q N 1.012 120.873 119.800 0.103 0.000 2.345 317 Q HA 0.501 4.843 4.340 0.002 0.000 0.268 317 Q C -1.234 174.764 176.000 -0.004 0.000 1.054 317 Q CA -0.737 55.089 55.803 0.038 0.000 0.835 317 Q CB 2.488 31.240 28.738 0.024 0.000 1.339 317 Q HN 0.716 nan 8.270 nan 0.000 0.447 318 S N 1.662 117.352 115.700 -0.017 0.000 2.537 318 S HA 0.779 5.251 4.470 0.002 0.000 0.301 318 S C -1.091 173.466 174.600 -0.071 0.000 1.092 318 S CA -0.628 57.577 58.200 0.008 0.000 1.048 318 S CB 0.854 64.173 63.200 0.198 0.000 1.053 318 S HN 0.635 nan 8.310 nan 0.000 0.501 319 M N 5.019 124.542 119.600 -0.129 0.000 2.433 319 M HA 0.536 5.017 4.480 0.002 0.000 0.290 319 M C -2.774 173.525 176.300 -0.002 0.000 1.173 319 M CA -2.136 53.075 55.300 -0.147 0.000 0.905 319 M CB 2.519 34.914 32.600 -0.341 0.000 1.692 319 M HN 0.409 nan 8.290 nan 0.000 0.462 320 P HA 0.083 nan 4.420 nan 0.000 0.271 320 P C -1.217 176.192 177.300 0.182 0.000 1.216 320 P CA -0.065 63.153 63.100 0.196 0.000 0.776 320 P CB 0.330 32.151 31.700 0.201 0.000 0.881 321 N N 2.654 121.453 118.700 0.164 0.000 2.453 321 N HA 0.078 4.820 4.740 0.002 0.000 0.253 321 N C 0.625 176.109 175.510 -0.044 0.000 1.252 321 N CA 0.033 53.138 53.050 0.092 0.000 0.917 321 N CB 0.177 38.708 38.487 0.074 0.000 1.117 321 N HN 0.295 nan 8.380 nan 0.000 0.442 322 R N 1.822 122.244 120.500 -0.131 0.000 2.570 322 R HA 0.112 4.453 4.340 0.002 0.000 0.277 322 R C -1.874 174.319 176.300 -0.177 0.000 1.039 322 R CA -0.901 55.077 56.100 -0.203 0.000 1.065 322 R CB -0.075 30.034 30.300 -0.318 0.000 0.964 322 R HN 0.429 nan 8.270 nan 0.000 0.428 323 P HA 0.004 nan 4.420 nan 0.000 0.271 323 P C -0.962 176.175 177.300 -0.271 0.000 1.218 323 P CA -0.109 62.768 63.100 -0.372 0.000 0.780 323 P CB 0.652 32.128 31.700 -0.373 0.000 0.901 324 N N 1.745 120.192 118.700 -0.422 0.000 2.629 324 N HA 0.212 4.954 4.740 0.002 0.000 0.277 324 N C -1.767 173.580 175.510 -0.273 0.000 1.188 324 N CA -0.410 52.507 53.050 -0.222 0.000 0.835 324 N CB 0.164 38.580 38.487 -0.120 0.000 1.420 324 N HN 0.143 nan 8.380 nan 0.000 0.542 325 Y N 2.750 123.083 120.300 0.056 0.000 2.319 325 Y HA 0.481 5.033 4.550 0.002 0.000 0.328 325 Y C 0.577 176.585 175.900 0.180 0.000 1.133 325 Y CA -0.108 58.089 58.100 0.162 0.000 1.265 325 Y CB 0.916 39.461 38.460 0.141 0.000 1.218 325 Y HN 0.308 nan 8.280 nan 0.000 0.508 326 I N 2.925 123.736 120.570 0.402 0.000 2.533 326 I HA 0.773 4.945 4.170 0.002 0.000 0.290 326 I C -0.458 175.618 176.117 -0.069 0.000 1.056 326 I CA -0.690 60.659 61.300 0.082 0.000 1.057 326 I CB 1.745 39.720 38.000 -0.042 0.000 1.240 326 I HN 0.721 nan 8.210 nan 0.000 0.423 327 A N 4.716 127.468 122.820 -0.113 0.000 2.536 327 A HA 0.743 5.064 4.320 0.002 0.000 0.293 327 A C -1.535 175.944 177.584 -0.176 0.000 1.119 327 A CA -0.552 51.380 52.037 -0.174 0.000 0.654 327 A CB 0.778 19.761 19.000 -0.030 0.000 1.291 327 A HN 0.395 nan 8.150 nan 0.000 0.439 328 F N 1.292 121.223 119.950 -0.031 0.000 2.444 328 F HA 0.473 5.001 4.527 0.002 0.000 0.331 328 F C 1.547 177.330 175.800 -0.028 0.000 1.167 328 F CA 0.482 58.494 58.000 0.020 0.000 1.262 328 F CB 0.665 39.760 39.000 0.158 0.000 1.196 328 F HN 0.531 nan 8.300 nan 0.000 0.583 329 R N 0.329 120.963 120.500 0.223 0.000 2.649 329 R HA 0.104 4.445 4.340 0.002 0.000 0.270 329 R C -0.697 175.585 176.300 -0.031 0.000 1.105 329 R CA -0.828 55.324 56.100 0.087 0.000 1.193 329 R CB 0.177 30.547 30.300 0.116 0.000 1.120 329 R HN 0.508 nan 8.270 nan 0.000 0.561 330 D N 0.797 121.179 120.400 -0.030 0.000 2.487 330 D HA -0.083 4.559 4.640 0.002 0.000 0.243 330 D C -0.315 175.955 176.300 -0.050 0.000 1.154 330 D CA 0.916 54.879 54.000 -0.061 0.000 0.876 330 D CB -0.025 40.766 40.800 -0.015 0.000 1.161 330 D HN 0.599 nan 8.370 nan 0.000 0.478 331 N N 2.761 121.392 118.700 -0.115 0.000 2.714 331 N HA -0.285 4.457 4.740 0.002 0.000 0.250 331 N C -0.229 175.307 175.510 0.043 0.000 1.117 331 N CA 0.477 53.514 53.050 -0.021 0.000 0.719 331 N CB -1.535 37.034 38.487 0.137 0.000 1.081 331 N HN 0.542 nan 8.380 nan 0.000 0.557 332 F N -1.918 118.080 119.950 0.081 0.000 3.091 332 F HA -0.271 4.257 4.527 0.002 0.000 0.288 332 F C 0.526 176.377 175.800 0.085 0.000 0.907 332 F CA 0.079 58.116 58.000 0.061 0.000 1.028 332 F CB -1.453 37.553 39.000 0.011 0.000 1.022 332 F HN 0.197 nan 8.300 nan 0.000 0.665 333 I N 0.824 121.514 120.570 0.200 0.000 2.775 333 I HA 0.108 4.279 4.170 0.002 0.000 0.290 333 I C 1.559 177.790 176.117 0.191 0.000 1.203 333 I CA 1.580 62.986 61.300 0.176 0.000 1.433 333 I CB 0.338 38.411 38.000 0.122 0.000 1.354 333 I HN 0.553 nan 8.210 nan 0.000 0.579 334 G N 4.486 113.389 108.800 0.171 0.000 2.268 334 G HA2 -0.287 3.674 3.960 0.002 0.000 0.240 334 G HA3 -0.287 3.674 3.960 0.002 0.000 0.240 334 G C 0.871 175.820 174.900 0.082 0.000 1.010 334 G CA 0.313 45.480 45.100 0.112 0.000 0.618 334 G HN 0.567 nan 8.290 nan 0.000 0.516 335 L N 0.024 121.342 121.223 0.158 0.000 2.046 335 L HA 0.254 4.596 4.340 0.002 0.000 0.208 335 L C 1.773 178.685 176.870 0.069 0.000 1.077 335 L CA 1.252 56.197 54.840 0.177 0.000 0.747 335 L CB -0.160 42.011 42.059 0.187 0.000 0.896 335 L HN 0.414 nan 8.230 nan 0.000 0.432 336 M N -1.963 117.597 119.600 -0.066 0.000 2.423 336 M HA 0.224 4.706 4.480 0.002 0.000 0.335 336 M C -1.145 174.950 176.300 -0.342 0.000 1.177 336 M CA -0.510 54.588 55.300 -0.336 0.000 1.038 336 M CB 1.642 33.916 32.600 -0.544 0.000 1.641 336 M HN -0.198 nan 8.290 nan 0.000 0.455 337 Y N 1.648 121.778 120.300 -0.282 0.000 2.335 337 Y HA 0.290 4.841 4.550 0.002 0.000 0.331 337 Y C -0.921 174.833 175.900 -0.244 0.000 1.094 337 Y CA 0.552 58.541 58.100 -0.185 0.000 1.253 337 Y CB 0.450 38.798 38.460 -0.187 0.000 1.203 337 Y HN 0.392 nan 8.280 nan 0.000 0.508 338 Y N 0.841 121.311 120.300 0.283 0.000 2.562 338 Y HA 0.230 4.781 4.550 0.002 0.000 0.345 338 Y C -0.051 175.967 175.900 0.196 0.000 1.045 338 Y CA -2.179 56.074 58.100 0.254 0.000 1.028 338 Y CB 1.468 40.101 38.460 0.289 0.000 1.297 338 Y HN 0.643 nan 8.280 nan 0.000 0.463 339 N N -0.246 118.664 118.700 0.350 0.000 2.721 339 N HA -0.219 4.523 4.740 0.002 0.000 0.249 339 N C -0.531 175.075 175.510 0.161 0.000 1.072 339 N CA 1.266 54.464 53.050 0.246 0.000 0.710 339 N CB -1.456 37.199 38.487 0.280 0.000 0.993 339 N HN 0.825 nan 8.380 nan 0.000 0.547 340 S N -0.818 114.945 115.700 0.105 0.000 2.652 340 S HA 0.499 4.971 4.470 0.002 0.000 0.252 340 S C 1.252 175.827 174.600 -0.042 0.000 1.219 340 S CA -0.072 58.162 58.200 0.056 0.000 1.151 340 S CB 0.560 63.839 63.200 0.133 0.000 1.080 340 S HN 0.243 nan 8.310 nan 0.000 0.481 341 T N -0.287 114.242 114.554 -0.042 0.000 2.869 341 T HA -0.079 4.272 4.350 0.002 0.000 0.270 341 T C 1.887 176.518 174.700 -0.115 0.000 1.082 341 T CA 1.846 63.898 62.100 -0.080 0.000 1.123 341 T CB -0.417 68.420 68.868 -0.052 0.000 0.856 341 T HN 0.812 nan 8.240 nan 0.000 0.499 342 G N 1.216 109.950 108.800 -0.111 0.000 2.511 342 G HA2 -0.004 3.957 3.960 0.002 0.000 0.217 342 G HA3 -0.004 3.957 3.960 0.002 0.000 0.217 342 G C 0.989 175.754 174.900 -0.225 0.000 1.133 342 G CA 0.004 45.024 45.100 -0.133 0.000 0.792 342 G HN 0.581 nan 8.290 nan 0.000 0.539 343 N N 0.131 118.642 118.700 -0.315 0.000 2.642 343 N HA 0.186 4.927 4.740 0.002 0.000 0.308 343 N C -0.588 174.639 175.510 -0.471 0.000 1.914 343 N CA -0.203 52.556 53.050 -0.485 0.000 0.893 343 N CB 0.924 38.835 38.487 -0.959 0.000 1.322 343 N HN 0.213 nan 8.380 nan 0.000 0.490 344 M N 0.974 120.337 119.600 -0.396 0.000 2.228 344 M HA 0.216 4.697 4.480 0.002 0.000 0.351 344 M C 0.925 176.801 176.300 -0.707 0.000 1.233 344 M CA -0.034 54.982 55.300 -0.473 0.000 1.129 344 M CB 0.666 33.067 32.600 -0.330 0.000 1.604 344 M HN 0.217 nan 8.290 nan 0.000 0.457 345 G N 3.035 111.135 108.800 -1.167 0.000 2.636 345 G HA2 0.463 4.425 3.960 0.002 0.000 0.246 345 G HA3 0.463 4.425 3.960 0.002 0.000 0.246 345 G C -1.206 173.255 174.900 -0.731 0.000 1.216 345 G CA -0.639 43.403 45.100 -1.763 0.000 0.854 345 G HN 0.642 nan 8.290 nan 0.000 0.572 346 V N 0.939 120.672 119.914 -0.302 0.000 2.623 346 V HA 0.501 4.622 4.120 0.002 0.000 0.304 346 V C -0.892 175.390 176.094 0.313 0.000 1.054 346 V CA -0.616 61.692 62.300 0.015 0.000 0.882 346 V CB 1.637 33.455 31.823 -0.008 0.000 1.002 346 V HN 0.676 nan 8.190 nan 0.000 0.424 347 L N 4.817 126.196 121.223 0.260 0.000 2.504 347 L HA 0.950 5.292 4.340 0.002 0.000 0.265 347 L C -0.399 176.583 176.870 0.186 0.000 0.975 347 L CA -0.054 54.943 54.840 0.261 0.000 0.864 347 L CB 1.281 43.450 42.059 0.184 0.000 1.212 347 L HN 0.859 nan 8.230 nan 0.000 0.416 348 A N 2.964 125.910 122.820 0.211 0.000 2.549 348 A HA 0.841 5.162 4.320 0.002 0.000 0.297 348 A C -0.205 177.525 177.584 0.243 0.000 1.061 348 A CA -0.203 51.953 52.037 0.198 0.000 0.690 348 A CB 1.286 20.363 19.000 0.129 0.000 1.287 348 A HN 0.903 nan 8.150 nan 0.000 0.402 349 G N -0.099 108.834 108.800 0.221 0.000 2.406 349 G HA2 0.408 4.369 3.960 0.002 0.000 0.251 349 G HA3 0.408 4.369 3.960 0.002 0.000 0.251 349 G C 0.368 175.268 174.900 -0.000 0.000 1.271 349 G CA -0.211 44.925 45.100 0.061 0.000 0.859 349 G HN 0.799 nan 8.290 nan 0.000 0.540 350 Q N 1.534 121.290 119.800 -0.073 0.000 2.291 350 Q HA -0.088 4.253 4.340 0.002 0.000 0.205 350 Q C 2.532 178.512 176.000 -0.034 0.000 0.970 350 Q CA 1.261 57.042 55.803 -0.036 0.000 0.876 350 Q CB 0.051 28.759 28.738 -0.050 0.000 0.935 350 Q HN 0.648 nan 8.270 nan 0.000 0.455 351 A N 0.005 122.792 122.820 -0.055 0.000 2.218 351 A HA 0.144 4.465 4.320 0.002 0.000 0.209 351 A C 2.069 179.649 177.584 -0.006 0.000 1.168 351 A CA 1.141 53.157 52.037 -0.036 0.000 0.804 351 A CB -0.133 18.835 19.000 -0.053 0.000 0.834 351 A HN 0.382 nan 8.150 nan 0.000 0.482 352 S N -2.725 112.983 115.700 0.012 0.000 2.527 352 S HA 0.362 4.833 4.470 0.002 0.000 0.227 352 S C 1.575 176.200 174.600 0.041 0.000 1.059 352 S CA 1.738 59.962 58.200 0.040 0.000 0.919 352 S CB -0.072 63.171 63.200 0.071 0.000 0.805 352 S HN 1.581 nan 8.310 nan 0.000 0.500 353 Q N -0.732 119.091 119.800 0.039 0.000 2.177 353 Q HA -0.189 4.152 4.340 0.002 0.000 0.174 353 Q C 0.686 176.713 176.000 0.045 0.000 0.609 353 Q CA 1.454 57.278 55.803 0.035 0.000 1.453 353 Q CB -2.574 26.177 28.738 0.021 0.000 1.591 353 Q HN 0.839 nan 8.270 nan 0.000 0.818 354 L N 2.174 123.433 121.223 0.060 0.000 2.367 354 L HA 0.388 4.730 4.340 0.002 0.000 0.275 354 L C 0.466 177.386 176.870 0.084 0.000 1.129 354 L CA 0.367 55.247 54.840 0.067 0.000 0.839 354 L CB 0.845 42.951 42.059 0.079 0.000 1.133 354 L HN 0.687 nan 8.230 nan 0.000 0.453 355 N N 3.111 121.853 118.700 0.070 0.000 2.420 355 N HA 0.141 4.882 4.740 0.002 0.000 0.262 355 N C 0.854 176.436 175.510 0.119 0.000 1.144 355 N CA 0.131 53.227 53.050 0.076 0.000 0.952 355 N CB 1.156 39.657 38.487 0.025 0.000 1.081 355 N HN 0.782 nan 8.380 nan 0.000 0.480 356 A N 3.725 126.637 122.820 0.152 0.000 2.119 356 A HA 0.041 4.363 4.320 0.002 0.000 0.217 356 A C 0.620 178.387 177.584 0.305 0.000 1.153 356 A CA 0.448 52.611 52.037 0.211 0.000 0.692 356 A CB 0.205 19.301 19.000 0.160 0.000 0.799 356 A HN 0.463 nan 8.150 nan 0.000 0.458 357 V N 1.006 121.040 119.914 0.200 0.000 2.406 357 V HA 0.362 4.483 4.120 0.002 0.000 0.272 357 V C -0.580 175.501 176.094 -0.021 0.000 1.043 357 V CA -0.185 62.206 62.300 0.151 0.000 0.915 357 V CB 1.249 33.062 31.823 -0.017 0.000 0.988 357 V HN 0.085 nan 8.190 nan 0.000 0.466 358 V N 4.460 124.288 119.914 -0.144 0.000 2.419 358 V HA 0.441 4.563 4.120 0.002 0.000 0.287 358 V C -0.556 175.367 176.094 -0.286 0.000 1.017 358 V CA -0.548 61.524 62.300 -0.380 0.000 0.844 358 V CB 1.649 33.022 31.823 -0.751 0.000 1.011 358 V HN 0.824 nan 8.190 nan 0.000 0.429 359 D N 3.315 123.623 120.400 -0.155 0.000 2.326 359 D HA 0.770 5.411 4.640 0.002 0.000 0.248 359 D C -0.862 175.462 176.300 0.039 0.000 1.001 359 D CA -0.268 53.743 54.000 0.019 0.000 0.961 359 D CB 2.247 43.007 40.800 -0.067 0.000 1.183 359 D HN 0.350 nan 8.370 nan 0.000 0.502 360 L N 1.018 122.322 121.223 0.134 0.000 2.388 360 L HA 0.331 4.673 4.340 0.002 0.000 0.264 360 L C 1.015 177.963 176.870 0.131 0.000 0.998 360 L CA -0.667 54.237 54.840 0.107 0.000 0.817 360 L CB 2.219 44.353 42.059 0.126 0.000 1.338 360 L HN 0.387 nan 8.230 nan 0.000 0.414 361 Q N -1.011 118.845 119.800 0.095 0.000 2.415 361 Q HA -0.045 4.297 4.340 0.002 0.000 0.206 361 Q C 0.173 176.243 176.000 0.116 0.000 0.946 361 Q CA 0.508 56.373 55.803 0.103 0.000 0.951 361 Q CB 0.213 28.987 28.738 0.059 0.000 1.026 361 Q HN 0.597 nan 8.270 nan 0.000 0.510 362 D N 0.834 121.308 120.400 0.124 0.000 2.354 362 D HA 0.039 4.680 4.640 0.002 0.000 0.209 362 D C -0.038 176.359 176.300 0.162 0.000 1.015 362 D CA 0.061 54.138 54.000 0.128 0.000 0.867 362 D CB 0.405 41.271 40.800 0.109 0.000 0.933 362 D HN 0.221 nan 8.370 nan 0.000 0.520 363 R N 0.314 120.926 120.500 0.187 0.000 2.573 363 R HA 0.301 4.643 4.340 0.002 0.000 0.272 363 R C -0.709 175.717 176.300 0.209 0.000 1.009 363 R CA -0.516 55.702 56.100 0.197 0.000 1.059 363 R CB 0.680 31.134 30.300 0.257 0.000 1.112 363 R HN -0.202 nan 8.270 nan 0.000 0.517 364 N N 1.256 120.049 118.700 0.155 0.000 2.746 364 N HA 0.126 4.868 4.740 0.002 0.000 0.250 364 N C -0.373 175.177 175.510 0.067 0.000 1.146 364 N CA -0.189 52.922 53.050 0.102 0.000 0.828 364 N CB 1.423 39.896 38.487 -0.023 0.000 1.158 364 N HN 0.572 nan 8.380 nan 0.000 0.519 365 T N 0.909 115.521 114.554 0.096 0.000 2.746 365 T HA -0.081 4.270 4.350 0.002 0.000 0.267 365 T C 1.354 176.006 174.700 -0.079 0.000 1.039 365 T CA 1.120 63.214 62.100 -0.010 0.000 1.142 365 T CB 0.206 68.984 68.868 -0.150 0.000 0.866 365 T HN 0.443 nan 8.240 nan 0.000 0.444 366 E N 0.868 121.039 120.200 -0.049 0.000 2.051 366 E HA -0.090 4.261 4.350 0.002 0.000 0.192 366 E C 2.258 178.868 176.600 0.016 0.000 0.991 366 E CA 0.834 57.231 56.400 -0.004 0.000 0.799 366 E CB -0.487 29.252 29.700 0.066 0.000 0.748 366 E HN 0.301 nan 8.360 nan 0.000 0.449 367 L N 1.084 122.287 121.223 -0.034 0.000 2.093 367 L HA -0.095 4.246 4.340 0.002 0.000 0.208 367 L C 2.484 179.342 176.870 -0.021 0.000 1.085 367 L CA 1.672 56.475 54.840 -0.061 0.000 0.755 367 L CB -0.689 41.317 42.059 -0.090 0.000 0.904 367 L HN -0.018 nan 8.230 nan 0.000 0.435 368 S N -1.682 114.030 115.700 0.020 0.000 2.383 368 S HA -0.304 4.167 4.470 0.002 0.000 0.229 368 S C 2.110 176.744 174.600 0.056 0.000 1.030 368 S CA 1.604 59.843 58.200 0.067 0.000 1.002 368 S CB -0.597 62.639 63.200 0.060 0.000 0.829 368 S HN 0.650 nan 8.310 nan 0.000 0.467 369 Y N 1.388 121.638 120.300 -0.084 0.000 2.314 369 Y HA -0.011 4.540 4.550 0.002 0.000 0.293 369 Y C 2.570 178.401 175.900 -0.114 0.000 1.129 369 Y CA 1.502 59.535 58.100 -0.112 0.000 1.201 369 Y CB -0.142 38.246 38.460 -0.120 0.000 0.999 369 Y HN 0.266 nan 8.280 nan 0.000 0.541 370 Q N 0.251 120.040 119.800 -0.018 0.000 2.046 370 Q HA -0.163 4.179 4.340 0.002 0.000 0.200 370 Q C 2.341 178.260 176.000 -0.134 0.000 0.975 370 Q CA 1.672 57.432 55.803 -0.072 0.000 0.836 370 Q CB -0.507 28.159 28.738 -0.119 0.000 0.896 370 Q HN 0.541 nan 8.270 nan 0.000 0.428 371 L N 0.266 121.379 121.223 -0.184 0.000 2.141 371 L HA -0.152 4.190 4.340 0.002 0.000 0.209 371 L C 2.412 179.029 176.870 -0.421 0.000 1.094 371 L CA 0.365 55.115 54.840 -0.150 0.000 0.763 371 L CB -0.490 41.587 42.059 0.032 0.000 0.908 371 L HN 0.184 nan 8.230 nan 0.000 0.437 372 L N 0.175 120.992 121.223 -0.677 0.000 2.017 372 L HA -0.203 4.138 4.340 0.002 0.000 0.208 372 L C 2.354 178.865 176.870 -0.597 0.000 1.073 372 L CA 1.730 55.959 54.840 -1.018 0.000 0.745 372 L CB -0.393 41.251 42.059 -0.692 0.000 0.894 372 L HN 0.090 nan 8.230 nan 0.000 0.432 373 L N -0.453 120.485 121.223 -0.475 0.000 2.083 373 L HA -0.229 4.113 4.340 0.002 0.000 0.209 373 L C 2.281 179.056 176.870 -0.159 0.000 1.083 373 L CA 1.626 56.279 54.840 -0.312 0.000 0.752 373 L CB -0.758 41.132 42.059 -0.282 0.000 0.899 373 L HN 0.397 nan 8.230 nan 0.000 0.433 374 D N -0.369 119.981 120.400 -0.083 0.000 2.178 374 D HA -0.177 4.465 4.640 0.002 0.000 0.201 374 D C 2.234 178.520 176.300 -0.025 0.000 0.980 374 D CA 1.357 55.359 54.000 0.005 0.000 0.842 374 D CB 0.167 41.091 40.800 0.206 0.000 0.948 374 D HN 0.299 nan 8.370 nan 0.000 0.472 375 S N -0.291 115.351 115.700 -0.097 0.000 2.470 375 S HA -0.072 4.400 4.470 0.002 0.000 0.225 375 S C 1.940 176.517 174.600 -0.039 0.000 1.006 375 S CA 0.541 58.715 58.200 -0.043 0.000 0.934 375 S CB -0.623 62.544 63.200 -0.055 0.000 0.778 375 S HN 0.546 nan 8.310 nan 0.000 0.517 376 I N -2.034 118.482 120.570 -0.090 0.000 3.941 376 I HA 0.653 4.824 4.170 0.002 0.000 0.335 376 I C 0.614 176.706 176.117 -0.041 0.000 1.402 376 I CA -0.453 60.813 61.300 -0.057 0.000 1.112 376 I CB 0.176 38.128 38.000 -0.079 0.000 1.043 376 I HN 0.325 nan 8.210 nan 0.000 0.395 377 G N 0.526 109.303 108.800 -0.037 0.000 2.488 377 G HA2 0.124 4.085 3.960 0.002 0.000 0.301 377 G HA3 0.124 4.085 3.960 0.002 0.000 0.301 377 G C -2.062 172.823 174.900 -0.025 0.000 1.339 377 G CA -0.463 44.620 45.100 -0.028 0.000 0.803 377 G HN 0.023 nan 8.290 nan 0.000 0.482 378 D N -0.174 120.210 120.400 -0.027 0.000 2.468 378 D HA 0.273 4.915 4.640 0.002 0.000 0.218 378 D C 1.360 177.640 176.300 -0.034 0.000 1.155 378 D CA -0.667 53.311 54.000 -0.036 0.000 0.924 378 D CB 1.264 42.038 40.800 -0.044 0.000 1.029 378 D HN 0.272 nan 8.370 nan 0.000 0.515 379 R N 1.299 121.775 120.500 -0.041 0.000 2.377 379 R HA -0.072 4.269 4.340 0.002 0.000 0.207 379 R C 1.801 178.094 176.300 -0.011 0.000 1.075 379 R CA 1.161 57.246 56.100 -0.024 0.000 1.035 379 R CB -0.603 29.656 30.300 -0.068 0.000 0.857 379 R HN 0.447 nan 8.270 nan 0.000 0.475 380 T N -2.860 111.664 114.554 -0.050 0.000 3.081 380 T HA 0.178 4.529 4.350 0.002 0.000 0.255 380 T C 0.712 175.315 174.700 -0.163 0.000 1.113 380 T CA -0.135 61.917 62.100 -0.081 0.000 1.082 380 T CB 0.103 68.900 68.868 -0.118 0.000 0.939 380 T HN -0.063 nan 8.240 nan 0.000 0.506 381 R N 1.138 121.580 120.500 -0.098 0.000 2.410 381 R HA 0.395 4.736 4.340 0.002 0.000 0.288 381 R C -0.958 175.392 176.300 0.082 0.000 1.051 381 R CA -0.502 55.517 56.100 -0.135 0.000 1.021 381 R CB 0.525 30.774 30.300 -0.084 0.000 1.032 381 R HN 0.278 nan 8.270 nan 0.000 0.481 382 Y N 1.726 121.947 120.300 -0.131 0.000 2.352 382 Y HA 0.373 4.925 4.550 0.002 0.000 0.326 382 Y C -0.048 175.895 175.900 0.073 0.000 1.166 382 Y CA -1.365 56.648 58.100 -0.144 0.000 1.182 382 Y CB 0.930 39.056 38.460 -0.556 0.000 1.216 382 Y HN 0.458 nan 8.280 nan 0.000 0.474 383 F N 2.211 122.235 119.950 0.123 0.000 2.828 383 F HA 0.178 4.706 4.527 0.002 0.000 0.355 383 F C 0.916 176.761 175.800 0.074 0.000 1.200 383 F CA -0.592 57.455 58.000 0.078 0.000 1.062 383 F CB 1.443 40.488 39.000 0.075 0.000 1.351 383 F HN 0.572 nan 8.300 nan 0.000 0.504 384 S N 4.821 120.639 115.700 0.196 0.000 2.400 384 S HA -0.262 4.210 4.470 0.002 0.000 0.232 384 S C 1.964 176.368 174.600 -0.328 0.000 1.025 384 S CA 1.341 59.543 58.200 0.004 0.000 0.993 384 S CB -0.258 62.986 63.200 0.074 0.000 0.808 384 S HN 0.903 nan 8.310 nan 0.000 0.478 385 M N -0.020 119.070 119.600 -0.850 0.000 2.082 385 M HA -0.070 4.411 4.480 0.002 0.000 0.258 385 M C 1.147 177.011 176.300 -0.726 0.000 1.069 385 M CA 1.853 56.517 55.300 -1.060 0.000 1.102 385 M CB -0.215 31.320 32.600 -1.774 0.000 1.336 385 M HN 0.553 nan 8.290 nan 0.000 0.404 386 W N -0.365 120.637 121.300 -0.497 0.000 3.316 386 W HA 0.225 4.886 4.660 0.002 0.000 0.327 386 W C 0.439 176.752 176.519 -0.343 0.000 1.232 386 W CA -0.670 56.570 57.345 -0.174 0.000 1.805 386 W CB -0.109 29.285 29.460 -0.109 0.000 1.090 386 W HN 0.359 nan 8.180 nan 0.000 0.654 387 N N 1.419 119.977 118.700 -0.236 0.000 2.754 387 N HA -0.259 4.482 4.740 0.002 0.000 0.248 387 N C -0.032 175.355 175.510 -0.205 0.000 1.093 387 N CA 0.693 53.491 53.050 -0.419 0.000 0.699 387 N CB -1.110 36.608 38.487 -1.283 0.000 1.016 387 N HN 0.335 nan 8.380 nan 0.000 0.552 388 Q N 0.266 120.060 119.800 -0.011 0.000 2.534 388 Q HA 0.495 4.836 4.340 0.002 0.000 0.223 388 Q C -0.862 175.149 176.000 0.018 0.000 1.239 388 Q CA 0.261 56.118 55.803 0.090 0.000 0.936 388 Q CB 0.079 28.990 28.738 0.288 0.000 1.457 388 Q HN 0.409 nan 8.270 nan 0.000 0.547 389 A N 3.953 126.697 122.820 -0.127 0.000 2.679 389 A HA 0.270 4.591 4.320 0.002 0.000 0.288 389 A C -0.878 176.585 177.584 -0.202 0.000 1.160 389 A CA -0.571 51.201 52.037 -0.441 0.000 0.763 389 A CB 1.117 19.602 19.000 -0.858 0.000 1.270 389 A HN 0.510 nan 8.150 nan 0.000 0.417 390 V N 2.637 122.540 119.914 -0.019 0.000 2.788 390 V HA 0.048 4.170 4.120 0.002 0.000 0.307 390 V C 0.086 176.199 176.094 0.031 0.000 1.069 390 V CA 0.300 62.615 62.300 0.024 0.000 1.173 390 V CB 0.496 32.349 31.823 0.051 0.000 0.925 390 V HN 0.813 nan 8.190 nan 0.000 0.492 391 D N 4.369 124.788 120.400 0.031 0.000 2.389 391 D HA 0.393 5.035 4.640 0.002 0.000 0.247 391 D C 0.032 176.475 176.300 0.239 0.000 1.128 391 D CA 0.509 54.572 54.000 0.105 0.000 0.884 391 D CB 1.359 42.168 40.800 0.015 0.000 1.194 391 D HN 0.831 nan 8.370 nan 0.000 0.441 392 S N 1.022 116.914 115.700 0.320 0.000 2.688 392 S HA 0.724 5.196 4.470 0.002 0.000 0.275 392 S C -1.123 173.515 174.600 0.063 0.000 1.175 392 S CA -0.991 57.322 58.200 0.188 0.000 0.818 392 S CB 1.592 64.790 63.200 -0.003 0.000 1.157 392 S HN 0.547 nan 8.310 nan 0.000 0.482 393 Y N -1.091 119.129 120.300 -0.133 0.000 2.644 393 Y HA 0.745 5.296 4.550 0.002 0.000 0.338 393 Y C -1.088 174.677 175.900 -0.224 0.000 1.119 393 Y CA -1.215 56.710 58.100 -0.291 0.000 1.060 393 Y CB 0.653 38.784 38.460 -0.548 0.000 1.294 393 Y HN 0.617 nan 8.280 nan 0.000 0.472 394 D N 2.057 122.472 120.400 0.025 0.000 2.343 394 D HA 0.241 4.882 4.640 0.002 0.000 0.255 394 D C -1.909 174.465 176.300 0.123 0.000 1.187 394 D CA -2.294 51.718 54.000 0.020 0.000 0.875 394 D CB 1.736 42.513 40.800 -0.039 0.000 1.136 394 D HN 0.356 nan 8.370 nan 0.000 0.469 395 P HA -0.098 nan 4.420 nan 0.000 0.216 395 P C 0.510 177.856 177.300 0.076 0.000 1.150 395 P CA 0.877 64.051 63.100 0.123 0.000 0.837 395 P CB 0.327 32.057 31.700 0.051 0.000 0.786 396 D N -1.442 119.012 120.400 0.091 0.000 2.348 396 D HA -0.038 4.603 4.640 0.002 0.000 0.216 396 D C 1.719 178.131 176.300 0.186 0.000 0.970 396 D CA 0.703 54.789 54.000 0.144 0.000 0.889 396 D CB 0.018 40.915 40.800 0.162 0.000 0.912 396 D HN 0.094 nan 8.370 nan 0.000 0.524 397 V N 0.434 120.378 119.914 0.051 0.000 2.575 397 V HA -0.056 4.065 4.120 0.002 0.000 0.242 397 V C 2.379 178.339 176.094 -0.223 0.000 1.045 397 V CA 0.598 62.827 62.300 -0.120 0.000 1.065 397 V CB -0.043 31.551 31.823 -0.382 0.000 0.717 397 V HN -0.028 nan 8.190 nan 0.000 0.467 398 R N 0.733 121.060 120.500 -0.287 0.000 2.075 398 R HA 0.068 4.409 4.340 0.002 0.000 0.232 398 R C 0.606 176.766 176.300 -0.234 0.000 1.126 398 R CA 1.528 57.378 56.100 -0.417 0.000 0.963 398 R CB -0.156 29.752 30.300 -0.655 0.000 0.858 398 R HN 0.455 nan 8.270 nan 0.000 0.435 399 I N 1.592 122.094 120.570 -0.113 0.000 2.439 399 I HA 0.270 4.441 4.170 0.002 0.000 0.283 399 I C -0.626 175.510 176.117 0.032 0.000 1.023 399 I CA -0.762 60.501 61.300 -0.063 0.000 1.100 399 I CB 1.953 39.920 38.000 -0.055 0.000 1.238 399 I HN -0.021 nan 8.210 nan 0.000 0.445 400 I N 5.885 126.498 120.570 0.071 0.000 2.517 400 I HA 0.079 4.251 4.170 0.002 0.000 0.285 400 I C 0.652 176.879 176.117 0.184 0.000 1.106 400 I CA 0.311 61.712 61.300 0.169 0.000 1.402 400 I CB 0.391 38.502 38.000 0.185 0.000 1.399 400 I HN 0.616 nan 8.210 nan 0.000 0.535 401 E N 6.690 126.999 120.200 0.182 0.000 2.173 401 E HA 0.109 4.460 4.350 0.002 0.000 0.249 401 E C -0.671 175.952 176.600 0.038 0.000 0.923 401 E CA -0.506 55.964 56.400 0.116 0.000 0.754 401 E CB 0.589 30.343 29.700 0.090 0.000 1.177 401 E HN 0.430 nan 8.360 nan 0.000 0.430 402 N N 2.861 121.626 118.700 0.109 0.000 2.719 402 N HA -0.008 4.733 4.740 0.002 0.000 0.243 402 N C -0.161 175.306 175.510 -0.073 0.000 1.104 402 N CA -0.114 52.977 53.050 0.070 0.000 0.981 402 N CB 0.086 38.740 38.487 0.278 0.000 1.290 402 N HN 0.500 nan 8.380 nan 0.000 0.513 403 H N 1.232 120.214 119.070 -0.147 0.000 2.538 403 H HA 0.440 4.997 4.556 0.002 0.000 0.286 403 H C 1.258 176.472 175.328 -0.191 0.000 1.035 403 H CA -0.167 55.797 56.048 -0.141 0.000 1.169 403 H CB -0.208 29.466 29.762 -0.146 0.000 1.417 403 H HN 0.510 nan 8.280 nan 0.000 0.567 404 G N 0.728 109.383 108.800 -0.243 0.000 2.542 404 G HA2 -0.167 3.794 3.960 0.002 0.000 0.235 404 G HA3 -0.167 3.794 3.960 0.002 0.000 0.235 404 G C -0.159 174.537 174.900 -0.340 0.000 1.286 404 G CA -0.015 44.968 45.100 -0.195 0.000 0.904 404 G HN 1.091 nan 8.290 nan 0.000 0.577 405 T N -2.515 111.948 114.554 -0.152 0.000 2.909 405 T HA 0.692 5.044 4.350 0.002 0.000 0.299 405 T C -0.581 174.082 174.700 -0.062 0.000 1.073 405 T CA -0.216 61.806 62.100 -0.130 0.000 0.999 405 T CB 2.322 71.155 68.868 -0.058 0.000 1.098 405 T HN 0.692 nan 8.240 nan 0.000 0.477 406 E N 2.268 122.433 120.200 -0.059 0.000 1.932 406 E HA 0.187 4.538 4.350 0.002 0.000 0.259 406 E C -0.332 176.243 176.600 -0.043 0.000 1.099 406 E CA -0.481 55.890 56.400 -0.048 0.000 0.970 406 E CB 0.123 29.791 29.700 -0.053 0.000 1.143 406 E HN 0.700 nan 8.360 nan 0.000 0.441 407 D N 1.378 121.755 120.400 -0.039 0.000 2.643 407 D HA 0.018 4.659 4.640 0.002 0.000 0.244 407 D C 0.594 176.865 176.300 -0.049 0.000 1.257 407 D CA -0.253 53.720 54.000 -0.045 0.000 0.831 407 D CB 0.372 41.147 40.800 -0.041 0.000 1.043 407 D HN 0.089 nan 8.370 nan 0.000 0.488 408 E N 0.316 120.492 120.200 -0.041 0.000 2.058 408 E HA -0.000 4.351 4.350 0.002 0.000 0.194 408 E C 0.575 177.150 176.600 -0.041 0.000 0.997 408 E CA 0.843 57.222 56.400 -0.036 0.000 0.801 408 E CB 0.075 29.758 29.700 -0.028 0.000 0.746 408 E HN 0.423 nan 8.360 nan 0.000 0.450 409 L N 2.485 123.680 121.223 -0.047 0.000 2.326 409 L HA 0.286 4.627 4.340 0.002 0.000 0.278 409 L C -1.971 174.832 176.870 -0.112 0.000 1.092 409 L CA -2.081 52.727 54.840 -0.053 0.000 0.810 409 L CB 0.599 42.637 42.059 -0.034 0.000 1.153 409 L HN 0.035 nan 8.230 nan 0.000 0.439 410 P HA 0.174 nan 4.420 nan 0.000 0.277 410 P C -1.476 175.496 177.300 -0.548 0.000 1.240 410 P CA -0.533 62.343 63.100 -0.374 0.000 0.798 410 P CB 0.838 32.288 31.700 -0.416 0.000 0.979 411 N N 1.161 119.487 118.700 -0.624 0.000 2.372 411 N HA 0.412 5.154 4.740 0.002 0.000 0.285 411 N C -0.999 174.135 175.510 -0.627 0.000 1.008 411 N CA -0.477 52.286 53.050 -0.479 0.000 0.880 411 N CB 1.062 39.406 38.487 -0.239 0.000 1.239 411 N HN 0.407 nan 8.380 nan 0.000 0.484 412 Y N -0.126 120.058 120.300 -0.193 0.000 2.602 412 Y HA 0.640 5.192 4.550 0.003 0.000 0.342 412 Y C 0.177 175.719 175.900 -0.597 0.000 1.029 412 Y CA -1.244 56.580 58.100 -0.459 0.000 1.080 412 Y CB 1.180 39.207 38.460 -0.722 0.000 1.284 412 Y HN 0.480 nan 8.280 nan 0.000 0.485 413 C N -0.108 118.870 119.300 -0.538 0.000 2.507 413 C HA 0.896 5.358 4.460 0.002 0.000 0.319 413 C C -0.987 173.592 174.990 -0.685 0.000 1.208 413 C CA -1.147 57.622 59.018 -0.414 0.000 1.619 413 C CB -0.408 27.227 27.740 -0.174 0.000 2.230 413 C HN 0.629 nan 8.230 nan 0.000 0.492 414 F N 0.229 120.170 119.950 -0.015 0.000 2.618 414 F HA 0.748 5.276 4.527 0.002 0.000 0.332 414 F C -2.075 173.725 175.800 -0.001 0.000 1.061 414 F CA -2.351 55.629 58.000 -0.034 0.000 0.974 414 F CB 0.328 39.300 39.000 -0.047 0.000 1.310 414 F HN 0.363 nan 8.300 nan 0.000 0.491 415 P HA 0.201 nan 4.420 nan 0.000 0.269 415 P C 0.825 178.135 177.300 0.017 0.000 1.209 415 P CA -0.153 63.036 63.100 0.147 0.000 0.776 415 P CB 0.613 32.414 31.700 0.168 0.000 0.876 416 L N 1.103 122.318 121.223 -0.013 0.000 2.127 416 L HA -0.130 4.211 4.340 0.002 0.000 0.211 416 L C 1.998 178.534 176.870 -0.557 0.000 1.089 416 L CA 1.936 56.691 54.840 -0.141 0.000 0.757 416 L CB -1.007 41.058 42.059 0.010 0.000 0.899 416 L HN 0.590 nan 8.230 nan 0.000 0.434 417 G N -1.776 106.551 108.800 -0.787 0.000 3.233 417 G HA2 0.332 4.293 3.960 0.002 0.000 0.227 417 G HA3 0.332 4.293 3.960 0.002 0.000 0.227 417 G C 1.267 175.774 174.900 -0.656 0.000 1.175 417 G CA 0.468 44.617 45.100 -1.585 0.000 0.781 417 G HN 0.498 nan 8.290 nan 0.000 0.542 418 G N -1.471 107.124 108.800 -0.341 0.000 2.396 418 G HA2 -0.222 3.739 3.960 0.002 0.000 0.242 418 G HA3 -0.222 3.739 3.960 0.002 0.000 0.242 418 G C 0.258 175.115 174.900 -0.072 0.000 1.069 418 G CA 0.672 45.661 45.100 -0.185 0.000 0.633 418 G HN 1.323 nan 8.290 nan 0.000 0.517 419 V N -0.045 119.842 119.914 -0.045 0.000 3.178 419 V HA 0.798 4.919 4.120 0.002 0.000 0.302 419 V C 0.236 176.393 176.094 0.105 0.000 1.262 419 V CA 0.119 62.452 62.300 0.055 0.000 1.030 419 V CB 2.082 33.933 31.823 0.046 0.000 1.074 419 V HN 0.589 nan 8.190 nan 0.000 0.438 420 I N 2.099 122.746 120.570 0.128 0.000 4.922 420 I HA 0.351 4.522 4.170 0.002 0.000 0.331 420 I C 0.215 176.374 176.117 0.070 0.000 1.260 420 I CA 0.067 61.442 61.300 0.125 0.000 1.366 420 I CB 0.784 38.856 38.000 0.119 0.000 1.386 420 I HN 0.625 nan 8.210 nan 0.000 0.483 421 N N 3.296 122.024 118.700 0.047 0.000 3.250 421 N HA 0.120 4.862 4.740 0.002 0.000 0.307 421 N C -0.164 175.365 175.510 0.031 0.000 1.355 421 N CA 0.205 53.264 53.050 0.014 0.000 1.192 421 N CB 0.010 38.492 38.487 -0.007 0.000 1.478 421 N HN 0.365 nan 8.380 nan 0.000 0.543 422 T N -1.649 112.931 114.554 0.044 0.000 2.899 422 T HA 0.304 4.656 4.350 0.002 0.000 0.295 422 T C 0.312 175.026 174.700 0.024 0.000 1.033 422 T CA -0.740 61.384 62.100 0.040 0.000 1.084 422 T CB 1.541 70.442 68.868 0.054 0.000 0.979 422 T HN 0.384 nan 8.240 nan 0.000 0.532 423 E N 0.834 121.044 120.200 0.017 0.000 2.212 423 E HA 0.415 4.766 4.350 0.002 0.000 0.268 423 E C -1.140 175.464 176.600 0.007 0.000 0.902 423 E CA -1.027 55.378 56.400 0.008 0.000 0.779 423 E CB 1.347 31.048 29.700 0.002 0.000 1.172 423 E HN 0.514 nan 8.360 nan 0.000 0.409 424 T N 3.968 118.525 114.554 0.004 0.000 2.779 424 T HA 0.296 4.647 4.350 0.002 0.000 0.296 424 T C 0.018 174.719 174.700 0.001 0.000 0.938 424 T CA -0.120 61.983 62.100 0.004 0.000 1.119 424 T CB -0.049 68.820 68.868 0.002 0.000 0.891 424 T HN 0.316 nan 8.240 nan 0.000 0.526 425 L N 2.255 123.481 121.223 0.005 0.000 2.283 425 L HA 0.649 4.991 4.340 0.002 0.000 0.259 425 L C 0.238 177.113 176.870 0.009 0.000 1.027 425 L CA -1.105 53.734 54.840 -0.003 0.000 0.828 425 L CB 2.259 44.311 42.059 -0.012 0.000 1.380 425 L HN 0.465 nan 8.230 nan 0.000 0.425 426 T N 0.464 115.017 114.554 -0.002 0.000 2.841 426 T HA 0.275 4.626 4.350 0.002 0.000 0.283 426 T C -0.245 174.451 174.700 -0.007 0.000 1.000 426 T CA -0.673 61.434 62.100 0.011 0.000 0.977 426 T CB 1.784 70.659 68.868 0.010 0.000 0.979 426 T HN 0.255 nan 8.240 nan 0.000 0.446 427 K N 2.177 122.581 120.400 0.007 0.000 2.469 427 K HA 0.321 4.643 4.320 0.002 0.000 0.274 427 K C -0.709 175.862 176.600 -0.049 0.000 0.983 427 K CA 0.135 56.382 56.287 -0.066 0.000 0.974 427 K CB 0.469 32.897 32.500 -0.119 0.000 0.913 427 K HN 0.388 nan 8.250 nan 0.000 0.493 428 V N 1.455 121.334 119.914 -0.059 0.000 2.971 428 V HA 0.606 4.727 4.120 0.002 0.000 0.309 428 V C -0.330 175.843 176.094 0.132 0.000 1.130 428 V CA -0.871 61.450 62.300 0.035 0.000 0.964 428 V CB 1.947 33.769 31.823 -0.001 0.000 1.029 428 V HN 0.833 nan 8.190 nan 0.000 0.427 429 K N 4.180 124.712 120.400 0.220 0.000 2.435 429 K HA 0.940 5.261 4.320 0.002 0.000 0.251 429 K C -3.130 173.590 176.600 0.200 0.000 0.954 429 K CA -1.728 54.680 56.287 0.202 0.000 0.820 429 K CB 2.200 34.736 32.500 0.059 0.000 1.292 429 K HN 0.523 nan 8.250 nan 0.000 0.436 438 W N -0.550 120.742 121.300 -0.013 0.000 2.936 438 W HA 0.706 5.368 4.660 0.003 0.000 0.338 438 W C 0.154 176.664 176.519 -0.015 0.000 1.121 438 W CA -0.185 57.150 57.345 -0.017 0.000 1.209 438 W CB 1.828 31.277 29.460 -0.020 0.000 1.420 438 W HN 0.998 nan 8.180 nan 0.000 0.516 439 E N 0.578 120.893 120.200 0.193 0.000 2.277 439 E HA 0.706 5.057 4.350 0.002 0.000 0.266 439 E C 0.104 176.767 176.600 0.105 0.000 0.901 439 E CA -0.585 55.881 56.400 0.110 0.000 0.782 439 E CB 0.796 30.527 29.700 0.052 0.000 1.228 439 E HN 0.640 nan 8.360 nan 0.000 0.424 440 K N 0.481 120.924 120.400 0.071 0.000 2.170 440 K HA 0.379 4.701 4.320 0.002 0.000 0.241 440 K C -0.065 176.562 176.600 0.046 0.000 1.071 440 K CA 0.739 57.058 56.287 0.053 0.000 0.822 440 K CB 0.237 32.762 32.500 0.041 0.000 1.097 440 K HN 0.763 nan 8.250 nan 0.000 0.522 441 D N -1.689 118.735 120.400 0.039 0.000 2.837 441 D HA 0.710 5.351 4.640 0.002 0.000 0.220 441 D C -1.287 175.055 176.300 0.071 0.000 1.236 441 D CA 0.712 54.736 54.000 0.040 0.000 0.838 441 D CB 1.927 42.727 40.800 -0.000 0.000 1.647 441 D HN 0.924 nan 8.370 nan 0.000 0.486 446 S N 1.309 117.063 115.700 0.089 0.000 2.584 446 S HA 0.302 4.773 4.470 0.002 0.000 0.270 446 S C 0.916 175.576 174.600 0.100 0.000 1.346 446 S CA 0.175 58.411 58.200 0.060 0.000 1.018 446 S CB 0.160 63.364 63.200 0.006 0.000 0.899 446 S HN 0.656 nan 8.310 nan 0.000 0.542 447 D N -0.629 119.808 120.400 0.061 0.000 2.340 447 D HA 0.224 4.865 4.640 0.002 0.000 0.217 447 D C 0.278 176.599 176.300 0.036 0.000 1.081 447 D CA 0.395 54.427 54.000 0.053 0.000 0.842 447 D CB -0.344 40.479 40.800 0.038 0.000 0.934 447 D HN 0.556 nan 8.370 nan 0.000 0.511 448 K N 1.089 121.507 120.400 0.031 0.000 2.626 448 K HA 0.352 4.674 4.320 0.002 0.000 0.223 448 K C -0.817 175.793 176.600 0.017 0.000 0.992 448 K CA -0.845 55.451 56.287 0.016 0.000 1.024 448 K CB 0.224 32.724 32.500 0.001 0.000 1.225 448 K HN 0.052 nan 8.250 nan 0.000 0.498 449 N N 1.618 120.335 118.700 0.029 0.000 2.314 449 N HA 0.315 5.057 4.740 0.002 0.000 0.294 449 N C -1.233 174.292 175.510 0.025 0.000 1.029 449 N CA -0.658 52.413 53.050 0.034 0.000 0.845 449 N CB 2.132 40.662 38.487 0.072 0.000 1.321 449 N HN 0.536 nan 8.380 nan 0.000 0.481 450 E N 1.583 121.796 120.200 0.021 0.000 2.105 450 E HA 0.419 4.771 4.350 0.002 0.000 0.285 450 E C -0.411 176.211 176.600 0.037 0.000 1.055 450 E CA 0.041 56.457 56.400 0.027 0.000 0.843 450 E CB 0.792 30.510 29.700 0.030 0.000 1.067 450 E HN 0.405 nan 8.360 nan 0.000 0.398 451 I N 2.697 123.285 120.570 0.030 0.000 2.498 451 I HA 0.385 4.557 4.170 0.002 0.000 0.290 451 I C -0.280 175.851 176.117 0.024 0.000 1.032 451 I CA -1.274 60.042 61.300 0.027 0.000 1.073 451 I CB 1.810 39.821 38.000 0.017 0.000 1.251 451 I HN 0.209 nan 8.210 nan 0.000 0.426 452 R N 5.581 126.097 120.500 0.028 0.000 2.297 452 R HA 0.540 4.881 4.340 0.002 0.000 0.308 452 R C -1.617 174.693 176.300 0.016 0.000 1.029 452 R CA -0.287 55.829 56.100 0.028 0.000 0.929 452 R CB 1.138 31.461 30.300 0.038 0.000 1.046 452 R HN 0.407 nan 8.270 nan 0.000 0.461 453 V N 5.525 125.447 119.914 0.013 0.000 2.347 453 V HA 0.792 4.914 4.120 0.002 0.000 0.280 453 V C 0.732 176.833 176.094 0.011 0.000 1.021 453 V CA 0.487 62.790 62.300 0.005 0.000 0.847 453 V CB 0.421 32.243 31.823 -0.002 0.000 0.990 453 V HN 1.066 nan 8.190 nan 0.000 0.444 454 G N 5.097 113.902 108.800 0.008 0.000 2.483 454 G HA2 -0.144 3.818 3.960 0.002 0.000 0.521 454 G HA3 -0.144 3.818 3.960 0.002 0.000 0.521 454 G C -0.701 174.206 174.900 0.013 0.000 1.278 454 G CA -0.822 44.284 45.100 0.011 0.000 0.965 454 G HN 0.582 nan 8.290 nan 0.000 0.504 455 N N 0.961 119.670 118.700 0.015 0.000 2.424 455 N HA 0.326 5.068 4.740 0.002 0.000 0.257 455 N C 0.837 176.373 175.510 0.043 0.000 1.250 455 N CA 0.324 53.380 53.050 0.010 0.000 0.946 455 N CB 0.293 38.776 38.487 -0.006 0.000 1.175 455 N HN 0.908 nan 8.380 nan 0.000 0.477 456 N N -0.428 118.299 118.700 0.045 0.000 2.317 456 N HA 0.065 4.806 4.740 0.002 0.000 0.245 456 N C -0.604 175.015 175.510 0.182 0.000 1.294 456 N CA -0.283 52.833 53.050 0.109 0.000 0.924 456 N CB 0.146 38.686 38.487 0.089 0.000 1.186 456 N HN 0.403 nan 8.380 nan 0.000 0.495 457 F N -0.329 119.665 119.950 0.074 0.000 2.438 457 F HA 0.567 5.097 4.527 0.004 0.000 0.356 457 F C -0.209 175.632 175.800 0.068 0.000 1.099 457 F CA -0.876 57.158 58.000 0.057 0.000 1.185 457 F CB -0.104 38.927 39.000 0.051 0.000 1.115 457 F HN 0.720 nan 8.300 nan 0.000 0.526 458 A N 7.532 129.944 122.820 -0.680 0.000 2.475 458 A HA 0.827 5.148 4.320 0.002 0.000 0.301 458 A C -1.236 175.916 177.584 -0.720 0.000 1.059 458 A CA -0.885 50.750 52.037 -0.669 0.000 0.710 458 A CB 1.532 20.223 19.000 -0.515 0.000 1.288 458 A HN 0.661 nan 8.150 nan 0.000 0.408 459 M N 1.338 120.625 119.600 -0.522 0.000 2.465 459 M HA 0.471 4.952 4.480 0.002 0.000 0.316 459 M C -0.384 175.837 176.300 -0.133 0.000 1.121 459 M CA -0.215 54.905 55.300 -0.299 0.000 0.934 459 M CB 1.666 34.121 32.600 -0.241 0.000 1.692 459 M HN 0.950 nan 8.290 nan 0.000 0.444 460 E N 2.276 122.437 120.200 -0.066 0.000 2.207 460 E HA 0.782 5.133 4.350 0.002 0.000 0.270 460 E C -1.773 174.737 176.600 -0.150 0.000 0.927 460 E CA -0.635 55.701 56.400 -0.107 0.000 0.799 460 E CB 2.578 32.232 29.700 -0.078 0.000 1.172 460 E HN 0.729 nan 8.360 nan 0.000 0.404 461 I N 3.055 123.506 120.570 -0.199 0.000 2.722 461 I HA 0.278 4.449 4.170 0.002 0.000 0.292 461 I C -1.762 174.258 176.117 -0.162 0.000 1.267 461 I CA -0.808 60.401 61.300 -0.152 0.000 1.036 461 I CB 2.005 39.941 38.000 -0.106 0.000 1.281 461 I HN 0.484 nan 8.210 nan 0.000 0.423 462 N N 7.580 126.203 118.700 -0.130 0.000 2.602 462 N HA 0.271 5.013 4.740 0.002 0.000 0.238 462 N C 0.752 176.229 175.510 -0.055 0.000 1.084 462 N CA -0.109 52.879 53.050 -0.103 0.000 0.952 462 N CB 0.639 39.073 38.487 -0.088 0.000 1.244 462 N HN 0.726 nan 8.380 nan 0.000 0.512 463 L N 2.836 124.025 121.223 -0.057 0.000 1.956 463 L HA -0.246 4.096 4.340 0.002 0.000 0.216 463 L C 1.818 178.695 176.870 0.012 0.000 1.073 463 L CA 1.516 56.343 54.840 -0.022 0.000 0.762 463 L CB -0.480 41.562 42.059 -0.028 0.000 0.889 463 L HN 0.560 nan 8.230 nan 0.000 0.433 464 N N -0.442 118.262 118.700 0.006 0.000 2.149 464 N HA -0.196 4.546 4.740 0.002 0.000 0.188 464 N C 1.840 177.403 175.510 0.088 0.000 1.019 464 N CA 1.066 54.134 53.050 0.030 0.000 0.857 464 N CB -0.162 38.321 38.487 -0.006 0.000 0.997 464 N HN 0.364 nan 8.380 nan 0.000 0.426 465 A N 1.244 124.112 122.820 0.079 0.000 1.930 465 A HA -0.120 4.201 4.320 0.002 0.000 0.217 465 A C 1.985 179.664 177.584 0.159 0.000 1.175 465 A CA 1.113 53.236 52.037 0.143 0.000 0.627 465 A CB -0.371 18.681 19.000 0.087 0.000 0.815 465 A HN 0.264 nan 8.150 nan 0.000 0.443 466 N N 0.203 118.959 118.700 0.093 0.000 2.058 466 N HA -0.106 4.635 4.740 0.002 0.000 0.191 466 N C 1.787 177.369 175.510 0.120 0.000 1.037 466 N CA 1.570 54.666 53.050 0.077 0.000 0.848 466 N CB -0.392 38.118 38.487 0.039 0.000 1.021 466 N HN 0.481 nan 8.380 nan 0.000 0.422 467 L N -0.087 121.220 121.223 0.140 0.000 2.042 467 L HA -0.181 4.160 4.340 0.002 0.000 0.210 467 L C 2.465 179.514 176.870 0.299 0.000 1.076 467 L CA 1.155 56.103 54.840 0.179 0.000 0.749 467 L CB -0.474 41.669 42.059 0.141 0.000 0.893 467 L HN 0.430 nan 8.230 nan 0.000 0.432 468 W N 1.402 122.738 121.300 0.060 0.000 2.355 468 W HA -0.258 4.403 4.660 0.002 0.000 0.309 468 W C 2.774 179.385 176.519 0.153 0.000 1.206 468 W CA 1.164 58.556 57.345 0.079 0.000 1.284 468 W CB -0.057 29.416 29.460 0.023 0.000 1.145 468 W HN 0.080 nan 8.180 nan 0.000 0.502 469 R N 0.638 121.184 120.500 0.077 0.000 2.083 469 R HA -0.194 4.148 4.340 0.002 0.000 0.237 469 R C 2.097 178.386 176.300 -0.019 0.000 1.137 469 R CA 2.027 58.074 56.100 -0.088 0.000 0.951 469 R CB -0.776 29.511 30.300 -0.021 0.000 0.851 469 R HN 0.239 nan 8.270 nan 0.000 0.434 470 N N -0.380 118.365 118.700 0.074 0.000 2.149 470 N HA -0.209 4.533 4.740 0.002 0.000 0.188 470 N C 1.656 177.251 175.510 0.142 0.000 1.019 470 N CA 1.365 54.479 53.050 0.107 0.000 0.857 470 N CB -0.172 38.388 38.487 0.121 0.000 0.997 470 N HN 0.170 nan 8.380 nan 0.000 0.426 471 F N 2.085 122.052 119.950 0.028 0.000 2.113 471 F HA -0.062 4.467 4.527 0.002 0.000 0.297 471 F C 2.116 177.874 175.800 -0.071 0.000 1.103 471 F CA 0.996 59.015 58.000 0.031 0.000 1.248 471 F CB -0.358 38.699 39.000 0.095 0.000 0.999 471 F HN -0.089 nan 8.300 nan 0.000 0.475 472 L N -1.109 119.962 121.223 -0.254 0.000 2.046 472 L HA -0.241 4.101 4.340 0.002 0.000 0.208 472 L C 2.370 179.108 176.870 -0.219 0.000 1.077 472 L CA 1.740 56.352 54.840 -0.381 0.000 0.747 472 L CB -0.997 40.776 42.059 -0.477 0.000 0.896 472 L HN 0.227 nan 8.230 nan 0.000 0.432 473 Y N -0.278 119.897 120.300 -0.209 0.000 2.200 473 Y HA -0.275 4.277 4.550 0.003 0.000 0.290 473 Y C 3.013 178.852 175.900 -0.103 0.000 1.137 473 Y CA 1.771 59.787 58.100 -0.140 0.000 1.163 473 Y CB 0.022 38.414 38.460 -0.112 0.000 0.988 473 Y HN 0.117 nan 8.280 nan 0.000 0.518 474 S N -0.084 115.607 115.700 -0.015 0.000 2.368 474 S HA -0.165 4.306 4.470 0.002 0.000 0.224 474 S C 1.692 176.331 174.600 0.065 0.000 1.029 474 S CA 1.706 59.899 58.200 -0.010 0.000 0.988 474 S CB -0.347 62.895 63.200 0.070 0.000 0.838 474 S HN 0.589 nan 8.310 nan 0.000 0.462 475 N N -0.108 118.550 118.700 -0.070 0.000 2.409 475 N HA 0.169 4.911 4.740 0.002 0.000 0.174 475 N C 1.139 176.684 175.510 0.058 0.000 1.037 475 N CA 0.841 53.906 53.050 0.025 0.000 0.898 475 N CB 0.129 38.374 38.487 -0.403 0.000 1.010 475 N HN 0.400 nan 8.380 nan 0.000 0.445 476 I N 0.636 121.148 120.570 -0.097 0.000 3.345 476 I HA 0.160 4.332 4.170 0.002 0.000 0.258 476 I C 2.219 178.297 176.117 -0.065 0.000 1.134 476 I CA 0.301 61.565 61.300 -0.061 0.000 1.457 476 I CB -0.722 37.203 38.000 -0.124 0.000 1.425 476 I HN -0.139 nan 8.210 nan 0.000 0.461 477 A N 1.201 123.903 122.820 -0.196 0.000 1.859 477 A HA -0.230 4.091 4.320 0.002 0.000 0.218 477 A C 2.274 179.634 177.584 -0.375 0.000 1.209 477 A CA 2.082 53.932 52.037 -0.312 0.000 0.639 477 A CB -1.337 17.341 19.000 -0.536 0.000 0.835 477 A HN 0.396 nan 8.150 nan 0.000 0.450 478 L N -2.310 118.605 121.223 -0.513 0.000 2.349 478 L HA -0.185 4.156 4.340 0.002 0.000 0.220 478 L C 1.918 178.507 176.870 -0.469 0.000 1.130 478 L CA 1.000 55.528 54.840 -0.520 0.000 0.791 478 L CB -0.361 41.350 42.059 -0.579 0.000 0.918 478 L HN 0.544 nan 8.230 nan 0.000 0.444 479 Y N -0.973 119.196 120.300 -0.219 0.000 2.457 479 Y HA 0.175 4.726 4.550 0.002 0.000 0.263 479 Y C 1.063 176.897 175.900 -0.111 0.000 1.164 479 Y CA -0.591 57.425 58.100 -0.140 0.000 1.274 479 Y CB 0.076 38.489 38.460 -0.079 0.000 1.097 479 Y HN 0.013 nan 8.280 nan 0.000 0.523 480 L N 1.690 122.889 121.223 -0.041 0.000 2.483 480 L HA 0.052 4.394 4.340 0.002 0.000 0.275 480 L C -1.912 174.912 176.870 -0.077 0.000 1.220 480 L CA -1.748 53.054 54.840 -0.062 0.000 0.833 480 L CB 0.141 42.122 42.059 -0.130 0.000 1.102 480 L HN -0.076 nan 8.230 nan 0.000 0.490 481 P HA -0.066 nan 4.420 nan 0.000 0.266 481 P C -0.070 177.183 177.300 -0.079 0.000 1.193 481 P CA 0.076 63.147 63.100 -0.048 0.000 0.770 481 P CB 0.491 32.168 31.700 -0.038 0.000 0.836 482 D N 2.441 122.821 120.400 -0.034 0.000 2.221 482 D HA -0.191 4.451 4.640 0.002 0.000 0.204 482 D C 1.602 177.885 176.300 -0.029 0.000 0.982 482 D CA 1.321 55.306 54.000 -0.024 0.000 0.857 482 D CB -0.027 40.812 40.800 0.066 0.000 0.934 482 D HN 0.426 nan 8.370 nan 0.000 0.475 483 K N -0.049 120.333 120.400 -0.030 0.000 2.280 483 K HA -0.104 4.217 4.320 0.002 0.000 0.202 483 K C 1.732 178.296 176.600 -0.060 0.000 1.047 483 K CA 0.888 57.159 56.287 -0.027 0.000 0.942 483 K CB -0.272 32.217 32.500 -0.017 0.000 0.739 483 K HN 0.247 nan 8.250 nan 0.000 0.457 484 L N 0.637 121.788 121.223 -0.120 0.000 2.592 484 L HA 0.137 4.479 4.340 0.002 0.000 0.227 484 L C 0.704 177.528 176.870 -0.075 0.000 1.127 484 L CA 0.028 54.781 54.840 -0.146 0.000 0.884 484 L CB 0.035 41.921 42.059 -0.289 0.000 1.065 484 L HN 0.118 nan 8.230 nan 0.000 0.457 485 K N -0.056 120.300 120.400 -0.072 0.000 2.240 485 K HA 0.513 4.834 4.320 0.002 0.000 0.237 485 K C -1.163 175.451 176.600 0.024 0.000 1.027 485 K CA -0.659 55.575 56.287 -0.089 0.000 0.937 485 K CB 1.407 33.787 32.500 -0.200 0.000 1.171 485 K HN -0.124 nan 8.250 nan 0.000 0.479 486 Y N -3.096 117.130 120.300 -0.124 0.000 2.552 486 Y HA 0.400 4.951 4.550 0.002 0.000 0.337 486 Y C -0.905 174.921 175.900 -0.122 0.000 1.094 486 Y CA -1.189 56.848 58.100 -0.104 0.000 1.028 486 Y CB 1.018 39.425 38.460 -0.089 0.000 1.321 486 Y HN 0.321 nan 8.280 nan 0.000 0.456 487 S N 4.720 120.441 115.700 0.036 0.000 2.564 487 S HA 0.310 4.781 4.470 0.002 0.000 0.278 487 S C -2.356 172.260 174.600 0.026 0.000 1.333 487 S CA -0.835 57.331 58.200 -0.056 0.000 1.048 487 S CB 0.278 63.472 63.200 -0.009 0.000 0.900 487 S HN 0.567 nan 8.310 nan 0.000 0.505 488 P HA 0.183 nan 4.420 nan 0.000 0.278 488 P C -0.764 176.555 177.300 0.031 0.000 1.238 488 P CA -0.537 62.562 63.100 -0.002 0.000 0.794 488 P CB 0.729 32.395 31.700 -0.056 0.000 0.955 489 S N 1.360 117.094 115.700 0.056 0.000 2.562 489 S HA 0.240 4.711 4.470 0.002 0.000 0.275 489 S C 0.588 175.173 174.600 -0.025 0.000 1.281 489 S CA -0.567 57.647 58.200 0.022 0.000 1.045 489 S CB -0.049 63.172 63.200 0.034 0.000 0.962 489 S HN 0.553 nan 8.310 nan 0.000 0.503 490 N N -1.105 117.576 118.700 -0.033 0.000 2.800 490 N HA -0.130 4.611 4.740 0.002 0.000 0.250 490 N C -0.948 174.531 175.510 -0.053 0.000 1.078 490 N CA 0.959 53.976 53.050 -0.055 0.000 0.804 490 N CB -1.641 36.788 38.487 -0.098 0.000 1.135 490 N HN 0.552 nan 8.380 nan 0.000 0.565 491 V N -0.144 119.748 119.914 -0.036 0.000 2.656 491 V HA 0.657 4.778 4.120 0.002 0.000 0.307 491 V C 0.657 176.738 176.094 -0.022 0.000 1.051 491 V CA -0.683 61.599 62.300 -0.030 0.000 0.893 491 V CB 1.949 33.757 31.823 -0.026 0.000 0.999 491 V HN 0.247 nan 8.190 nan 0.000 0.426 492 K N 4.030 124.420 120.400 -0.016 0.000 2.379 492 K HA 0.695 5.016 4.320 0.002 0.000 0.284 492 K C -0.696 175.896 176.600 -0.014 0.000 1.044 492 K CA 0.102 56.383 56.287 -0.009 0.000 0.974 492 K CB 0.714 33.212 32.500 -0.003 0.000 0.962 492 K HN 0.793 nan 8.250 nan 0.000 0.474 493 I N 1.189 121.756 120.570 -0.005 0.000 2.582 493 I HA 0.336 4.508 4.170 0.002 0.000 0.292 493 I C 0.333 176.480 176.117 0.050 0.000 1.066 493 I CA -0.623 60.675 61.300 -0.004 0.000 1.053 493 I CB 2.228 40.204 38.000 -0.040 0.000 1.241 493 I HN 0.782 nan 8.210 nan 0.000 0.421 494 S N 3.804 119.548 115.700 0.072 0.000 2.566 494 S HA -0.004 4.467 4.470 0.002 0.000 0.280 494 S C 0.535 175.205 174.600 0.116 0.000 1.343 494 S CA 0.461 58.712 58.200 0.085 0.000 1.036 494 S CB 0.658 63.906 63.200 0.079 0.000 0.866 494 S HN 0.751 nan 8.310 nan 0.000 0.526 495 D N 1.114 121.535 120.400 0.035 0.000 2.305 495 D HA 0.107 4.748 4.640 0.002 0.000 0.206 495 D C 0.121 176.348 176.300 -0.122 0.000 0.974 495 D CA 0.387 54.379 54.000 -0.013 0.000 0.871 495 D CB 0.014 40.806 40.800 -0.013 0.000 0.947 495 D HN 0.415 nan 8.370 nan 0.000 0.516 496 N N 1.040 119.667 118.700 -0.121 0.000 2.406 496 N HA 0.059 4.801 4.740 0.002 0.000 0.251 496 N C -1.881 173.399 175.510 -0.384 0.000 1.069 496 N CA -1.786 51.152 53.050 -0.187 0.000 0.947 496 N CB 1.418 39.853 38.487 -0.087 0.000 1.111 496 N HN -0.059 nan 8.380 nan 0.000 0.497 497 P HA -0.008 nan 4.420 nan 0.000 0.237 497 P C -0.072 177.043 177.300 -0.308 0.000 1.178 497 P CA 0.657 63.202 63.100 -0.925 0.000 0.766 497 P CB 0.493 31.744 31.700 -0.748 0.000 0.876 498 N N -0.650 117.949 118.700 -0.167 0.000 2.336 498 N HA 0.037 4.778 4.740 0.002 0.000 0.189 498 N C 0.460 175.963 175.510 -0.011 0.000 1.113 498 N CA 0.422 53.441 53.050 -0.052 0.000 0.858 498 N CB -0.027 38.435 38.487 -0.041 0.000 0.970 498 N HN 0.097 nan 8.380 nan 0.000 0.471 499 T N -0.013 114.538 114.554 -0.007 0.000 2.913 499 T HA 0.065 4.416 4.350 0.002 0.000 0.287 499 T C 1.055 175.810 174.700 0.091 0.000 1.008 499 T CA -0.383 61.747 62.100 0.051 0.000 1.067 499 T CB 1.354 70.252 68.868 0.049 0.000 0.996 499 T HN 0.164 nan 8.240 nan 0.000 0.513 500 Y N 2.036 122.320 120.300 -0.026 0.000 2.220 500 Y HA -0.109 4.443 4.550 0.002 0.000 0.291 500 Y C 2.234 178.088 175.900 -0.076 0.000 1.129 500 Y CA 1.970 60.032 58.100 -0.062 0.000 1.161 500 Y CB -0.154 38.255 38.460 -0.085 0.000 0.997 500 Y HN 0.826 nan 8.280 nan 0.000 0.522 501 D N -0.873 119.524 120.400 -0.005 0.000 2.133 501 D HA -0.317 4.324 4.640 0.002 0.000 0.195 501 D C 2.034 178.226 176.300 -0.179 0.000 0.997 501 D CA 1.848 55.780 54.000 -0.114 0.000 0.840 501 D CB -0.542 40.264 40.800 0.009 0.000 0.947 501 D HN 0.537 nan 8.370 nan 0.000 0.452 502 Y N 0.336 120.521 120.300 -0.192 0.000 2.163 502 Y HA -0.110 4.441 4.550 0.003 0.000 0.288 502 Y C 2.130 177.879 175.900 -0.253 0.000 1.136 502 Y CA 1.614 59.605 58.100 -0.183 0.000 1.147 502 Y CB -0.142 38.248 38.460 -0.117 0.000 0.987 502 Y HN -0.003 nan 8.280 nan 0.000 0.509 503 M N -0.212 119.296 119.600 -0.155 0.000 2.460 503 M HA -0.131 4.351 4.480 0.002 0.000 0.263 503 M C 1.521 177.522 176.300 -0.498 0.000 1.071 503 M CA 1.553 56.678 55.300 -0.290 0.000 1.096 503 M CB -0.324 32.154 32.600 -0.204 0.000 1.408 503 M HN 0.277 nan 8.290 nan 0.000 0.463 504 N N 0.742 119.054 118.700 -0.648 0.000 2.409 504 N HA -0.018 4.723 4.740 0.002 0.000 0.174 504 N C 1.276 176.392 175.510 -0.657 0.000 1.037 504 N CA 0.910 53.508 53.050 -0.753 0.000 0.898 504 N CB 0.306 38.147 38.487 -1.076 0.000 1.010 504 N HN 0.208 nan 8.380 nan 0.000 0.445 505 K N -0.592 119.483 120.400 -0.542 0.000 2.348 505 K HA 0.202 4.523 4.320 0.002 0.000 0.194 505 K C -0.065 176.311 176.600 -0.373 0.000 1.052 505 K CA -0.240 55.805 56.287 -0.404 0.000 1.004 505 K CB 0.502 32.820 32.500 -0.304 0.000 0.873 505 K HN -0.021 nan 8.250 nan 0.000 0.523 506 R N 1.961 122.159 120.500 -0.503 0.000 2.502 506 R HA 0.012 4.353 4.340 0.002 0.000 0.292 506 R C -0.219 175.816 176.300 -0.441 0.000 0.998 506 R CA 0.128 55.915 56.100 -0.521 0.000 1.056 506 R CB 0.606 30.532 30.300 -0.624 0.000 0.939 506 R HN -0.034 nan 8.270 nan 0.000 0.411 507 V N 3.919 123.510 119.914 -0.540 0.000 2.539 507 V HA 0.452 4.574 4.120 0.002 0.000 0.292 507 V C -0.518 175.229 176.094 -0.577 0.000 1.045 507 V CA -0.623 61.344 62.300 -0.554 0.000 0.945 507 V CB 1.893 33.319 31.823 -0.662 0.000 0.993 507 V HN 0.449 nan 8.190 nan 0.000 0.464 508 V N 6.832 126.577 119.914 -0.282 0.000 2.604 508 V HA 0.875 4.997 4.120 0.002 0.000 0.305 508 V C 0.389 176.518 176.094 0.058 0.000 1.043 508 V CA -0.075 62.139 62.300 -0.144 0.000 0.888 508 V CB 1.668 33.374 31.823 -0.195 0.000 0.995 508 V HN 1.491 nan 8.190 nan 0.000 0.429 509 A N 7.260 130.135 122.820 0.092 0.000 2.454 509 A HA 0.551 4.873 4.320 0.002 0.000 0.260 509 A C -1.670 176.009 177.584 0.158 0.000 1.106 509 A CA -0.970 51.131 52.037 0.108 0.000 0.780 509 A CB 0.267 19.296 19.000 0.048 0.000 1.044 509 A HN 0.807 nan 8.150 nan 0.000 0.498 510 P HA -0.121 nan 4.420 nan 0.000 0.218 510 P C 1.590 178.934 177.300 0.072 0.000 1.148 510 P CA 1.708 64.903 63.100 0.159 0.000 0.822 510 P CB 0.203 31.822 31.700 -0.135 0.000 0.784 511 G N -0.758 108.074 108.800 0.053 0.000 2.586 511 G HA2 -0.180 3.781 3.960 0.002 0.000 0.215 511 G HA3 -0.180 3.781 3.960 0.002 0.000 0.215 511 G C 1.281 176.224 174.900 0.073 0.000 1.128 511 G CA 0.254 45.396 45.100 0.071 0.000 0.774 511 G HN 0.263 nan 8.290 nan 0.000 0.543 512 L N -0.365 120.893 121.223 0.058 0.000 2.240 512 L HA 0.111 4.453 4.340 0.002 0.000 0.211 512 L C 0.593 177.505 176.870 0.070 0.000 1.106 512 L CA 0.403 55.286 54.840 0.072 0.000 0.793 512 L CB 0.340 42.421 42.059 0.036 0.000 0.927 512 L HN 0.026 nan 8.230 nan 0.000 0.446 513 V N -0.888 119.032 119.914 0.010 0.000 2.502 513 V HA 0.224 4.346 4.120 0.002 0.000 0.261 513 V C -0.505 175.498 176.094 -0.152 0.000 0.996 513 V CA -0.605 61.668 62.300 -0.044 0.000 1.095 513 V CB 0.799 32.589 31.823 -0.055 0.000 1.325 513 V HN 0.068 nan 8.190 nan 0.000 0.574 514 D N 0.582 120.817 120.400 -0.276 0.000 2.387 514 D HA 0.154 4.796 4.640 0.002 0.000 0.251 514 D C 1.436 177.427 176.300 -0.516 0.000 1.141 514 D CA -0.099 53.616 54.000 -0.474 0.000 0.987 514 D CB 2.269 42.588 40.800 -0.802 0.000 1.116 514 D HN 0.560 nan 8.370 nan 0.000 0.491 515 C N 0.531 119.592 119.300 -0.398 0.000 2.421 515 C HA -0.100 4.362 4.460 0.002 0.000 0.296 515 C C 1.655 176.709 174.990 0.107 0.000 1.470 515 C CA -0.104 58.840 59.018 -0.123 0.000 1.779 515 C CB -2.317 25.511 27.740 0.148 0.000 1.715 515 C HN 0.565 nan 8.230 nan 0.000 0.564 516 Y N -1.365 119.022 120.300 0.146 0.000 2.607 516 Y HA 0.618 5.169 4.550 0.002 0.000 0.266 516 Y C 0.554 176.511 175.900 0.095 0.000 1.178 516 Y CA -2.387 55.785 58.100 0.120 0.000 1.226 516 Y CB -1.140 37.364 38.460 0.073 0.000 1.144 516 Y HN 0.151 nan 8.280 nan 0.000 0.528 517 I N 3.015 123.633 120.570 0.079 0.000 2.517 517 I HA 0.106 4.277 4.170 0.002 0.000 0.285 517 I C 0.374 176.579 176.117 0.148 0.000 1.106 517 I CA 0.159 61.534 61.300 0.124 0.000 1.402 517 I CB -0.148 37.883 38.000 0.051 0.000 1.399 517 I HN 0.426 nan 8.210 nan 0.000 0.535 518 N N 5.587 124.356 118.700 0.115 0.000 2.698 518 N HA -0.236 4.505 4.740 0.002 0.000 0.258 518 N C -0.322 175.237 175.510 0.082 0.000 0.978 518 N CA 0.561 53.646 53.050 0.057 0.000 0.777 518 N CB -0.867 37.656 38.487 0.060 0.000 0.907 518 N HN 0.592 nan 8.380 nan 0.000 0.543 519 L N 0.077 121.355 121.223 0.093 0.000 2.578 519 L HA 0.029 4.371 4.340 0.002 0.000 0.279 519 L C 1.662 178.565 176.870 0.055 0.000 1.227 519 L CA 1.222 56.121 54.840 0.098 0.000 0.900 519 L CB 0.171 42.290 42.059 0.099 0.000 1.144 519 L HN 0.623 nan 8.230 nan 0.000 0.496 520 G N 2.495 111.332 108.800 0.062 0.000 2.148 520 G HA2 -0.208 3.754 3.960 0.002 0.000 0.254 520 G HA3 -0.208 3.754 3.960 0.002 0.000 0.254 520 G C 0.097 175.025 174.900 0.046 0.000 0.981 520 G CA 0.113 45.240 45.100 0.045 0.000 0.670 520 G HN 1.016 nan 8.290 nan 0.000 0.528 521 A N -0.722 122.138 122.820 0.067 0.000 2.354 521 A HA 0.910 5.232 4.320 0.002 0.000 0.321 521 A C 0.191 177.860 177.584 0.142 0.000 1.125 521 A CA -0.179 51.907 52.037 0.083 0.000 0.799 521 A CB 1.133 20.158 19.000 0.041 0.000 1.293 521 A HN 0.764 nan 8.150 nan 0.000 0.452 522 R N 1.470 122.070 120.500 0.168 0.000 2.287 522 R HA 0.370 4.712 4.340 0.002 0.000 0.316 522 R C -1.627 174.843 176.300 0.284 0.000 1.050 522 R CA -0.197 56.005 56.100 0.170 0.000 0.983 522 R CB 0.533 30.898 30.300 0.107 0.000 1.140 522 R HN 0.767 nan 8.270 nan 0.000 0.528 523 W N 4.188 125.497 121.300 0.015 0.000 3.259 523 W HA 0.223 4.884 4.660 0.002 0.000 0.331 523 W C -1.277 175.237 176.519 -0.008 0.000 1.144 523 W CA -0.612 56.732 57.345 -0.001 0.000 1.227 523 W CB 2.146 31.610 29.460 0.007 0.000 1.371 523 W HN 0.585 nan 8.180 nan 0.000 0.491 524 S N 4.832 120.261 115.700 -0.451 0.000 2.537 524 S HA 0.510 4.982 4.470 0.002 0.000 0.275 524 S C -0.125 174.227 174.600 -0.413 0.000 1.272 524 S CA -0.671 57.314 58.200 -0.358 0.000 1.050 524 S CB 1.441 64.403 63.200 -0.397 0.000 0.961 524 S HN 0.429 nan 8.310 nan 0.000 0.496 525 L N 2.990 124.153 121.223 -0.101 0.000 2.499 525 L HA 0.060 4.402 4.340 0.002 0.000 0.273 525 L C 1.088 177.918 176.870 -0.067 0.000 1.195 525 L CA -0.370 54.487 54.840 0.029 0.000 0.882 525 L CB 0.096 42.223 42.059 0.114 0.000 1.133 525 L HN 0.738 nan 8.230 nan 0.000 0.483 526 D N 1.889 122.260 120.400 -0.048 0.000 2.190 526 D HA -0.217 4.425 4.640 0.002 0.000 0.200 526 D C 1.745 178.015 176.300 -0.051 0.000 0.992 526 D CA 1.700 55.639 54.000 -0.100 0.000 0.854 526 D CB 0.032 40.775 40.800 -0.095 0.000 0.936 526 D HN 0.509 nan 8.370 nan 0.000 0.462 527 Y N -0.181 120.147 120.300 0.047 0.000 2.293 527 Y HA -0.053 4.499 4.550 0.002 0.000 0.291 527 Y C 2.248 178.161 175.900 0.021 0.000 1.137 527 Y CA 0.672 58.796 58.100 0.041 0.000 1.202 527 Y CB -0.191 38.295 38.460 0.042 0.000 0.990 527 Y HN -0.021 nan 8.280 nan 0.000 0.537 528 M N -0.827 118.856 119.600 0.139 0.000 2.509 528 M HA -0.022 4.460 4.480 0.002 0.000 0.250 528 M C 1.012 177.306 176.300 -0.009 0.000 1.132 528 M CA 0.541 55.867 55.300 0.043 0.000 1.080 528 M CB -0.619 31.969 32.600 -0.021 0.000 1.408 528 M HN 0.136 nan 8.290 nan 0.000 0.484 529 D N 1.679 122.060 120.400 -0.033 0.000 2.133 529 D HA -0.148 4.494 4.640 0.002 0.000 0.195 529 D C 1.079 177.483 176.300 0.174 0.000 0.997 529 D CA 1.232 55.184 54.000 -0.079 0.000 0.840 529 D CB -0.188 40.516 40.800 -0.160 0.000 0.947 529 D HN 0.304 nan 8.370 nan 0.000 0.452 530 N N -0.153 118.694 118.700 0.245 0.000 2.313 530 N HA 0.043 4.785 4.740 0.002 0.000 0.207 530 N C -0.576 175.150 175.510 0.360 0.000 1.141 530 N CA 0.004 53.261 53.050 0.346 0.000 0.830 530 N CB 0.942 39.566 38.487 0.229 0.000 1.008 530 N HN -0.003 nan 8.380 nan 0.000 0.481 531 V N 1.542 121.579 119.914 0.203 0.000 2.439 531 V HA 0.136 4.258 4.120 0.002 0.000 0.282 531 V C 0.578 176.556 176.094 -0.194 0.000 1.039 531 V CA -1.173 61.178 62.300 0.085 0.000 0.913 531 V CB 1.430 33.279 31.823 0.043 0.000 0.983 531 V HN 0.193 nan 8.190 nan 0.000 0.460 532 N N 7.809 126.286 118.700 -0.371 0.000 2.386 532 N HA 0.007 4.748 4.740 0.002 0.000 0.273 532 N C -1.160 174.074 175.510 -0.460 0.000 1.331 532 N CA -1.048 51.470 53.050 -0.886 0.000 0.891 532 N CB 1.306 39.642 38.487 -0.253 0.000 1.139 532 N HN 0.405 nan 8.380 nan 0.000 0.487 533 P HA -0.061 nan 4.420 nan 0.000 0.229 533 P C 0.843 177.845 177.300 -0.497 0.000 1.160 533 P CA 0.907 63.624 63.100 -0.637 0.000 0.777 533 P CB 0.017 31.077 31.700 -1.067 0.000 0.814 534 F N 0.207 120.133 119.950 -0.039 0.000 2.512 534 F HA 0.073 4.602 4.527 0.002 0.000 0.296 534 F C 1.193 177.045 175.800 0.086 0.000 1.110 534 F CA 0.287 58.337 58.000 0.083 0.000 1.446 534 F CB -0.992 38.074 39.000 0.109 0.000 1.092 534 F HN -0.154 nan 8.300 nan 0.000 0.554 535 N N 1.248 120.075 118.700 0.212 0.000 2.895 535 N HA -0.010 4.732 4.740 0.002 0.000 0.277 535 N C -0.658 174.980 175.510 0.215 0.000 1.185 535 N CA 0.377 53.556 53.050 0.215 0.000 1.106 535 N CB -0.574 38.046 38.487 0.221 0.000 1.422 535 N HN 0.278 nan 8.380 nan 0.000 0.521 536 H N 0.588 119.688 119.070 0.050 0.000 3.012 536 H HA 0.063 4.620 4.556 0.002 0.000 0.367 536 H C 0.826 176.199 175.328 0.075 0.000 1.211 536 H CA -0.392 55.584 56.048 -0.121 0.000 1.139 536 H CB 1.249 30.739 29.762 -0.452 0.000 1.838 536 H HN 0.450 nan 8.280 nan 0.000 0.550 537 H N 2.576 121.690 119.070 0.072 0.000 2.559 537 H HA 0.082 4.640 4.556 0.002 0.000 0.273 537 H C 0.367 175.892 175.328 0.329 0.000 1.000 537 H CA 0.335 56.576 56.048 0.321 0.000 1.195 537 H CB 0.267 30.201 29.762 0.286 0.000 1.368 537 H HN 0.357 nan 8.280 nan 0.000 0.592 538 R N 1.088 121.617 120.500 0.047 0.000 2.466 538 R HA 0.075 4.417 4.340 0.002 0.000 0.279 538 R C -0.005 176.293 176.300 -0.003 0.000 0.976 538 R CA -0.173 55.905 56.100 -0.037 0.000 1.081 538 R CB -0.064 30.128 30.300 -0.180 0.000 1.215 538 R HN 0.386 nan 8.270 nan 0.000 0.546 539 N N 0.708 119.441 118.700 0.055 0.000 2.415 539 N HA 0.061 4.802 4.740 0.002 0.000 0.250 539 N C 1.029 176.559 175.510 0.034 0.000 1.127 539 N CA -0.242 52.851 53.050 0.072 0.000 0.945 539 N CB 1.032 39.604 38.487 0.141 0.000 1.196 539 N HN 0.083 nan 8.380 nan 0.000 0.499 540 A N 3.664 126.514 122.820 0.050 0.000 1.908 540 A HA -0.129 4.192 4.320 0.002 0.000 0.218 540 A C 2.028 179.661 177.584 0.080 0.000 1.181 540 A CA 1.866 53.953 52.037 0.083 0.000 0.627 540 A CB -1.090 17.992 19.000 0.137 0.000 0.818 540 A HN 0.782 nan 8.150 nan 0.000 0.445 541 G N -0.122 108.708 108.800 0.051 0.000 2.459 541 G HA2 -0.168 3.793 3.960 0.002 0.000 0.217 541 G HA3 -0.168 3.793 3.960 0.002 0.000 0.217 541 G C 1.493 176.348 174.900 -0.075 0.000 1.183 541 G CA 1.278 46.313 45.100 -0.108 0.000 0.776 541 G HN 0.585 nan 8.290 nan 0.000 0.552 542 L N 0.711 121.926 121.223 -0.014 0.000 2.046 542 L HA 0.079 4.420 4.340 0.002 0.000 0.208 542 L C 2.674 179.498 176.870 -0.077 0.000 1.077 542 L CA 2.272 57.108 54.840 -0.006 0.000 0.747 542 L CB -0.761 41.331 42.059 0.056 0.000 0.896 542 L HN 0.259 nan 8.230 nan 0.000 0.432 543 R N -1.849 118.530 120.500 -0.201 0.000 2.091 543 R HA -0.269 4.073 4.340 0.002 0.000 0.238 543 R C 2.421 178.622 176.300 -0.165 0.000 1.136 543 R CA 2.054 57.870 56.100 -0.473 0.000 0.959 543 R CB -0.662 29.329 30.300 -0.514 0.000 0.856 543 R HN 0.575 nan 8.270 nan 0.000 0.437 544 Y N 0.671 120.874 120.300 -0.162 0.000 2.163 544 Y HA -0.169 4.383 4.550 0.002 0.000 0.288 544 Y C 2.140 177.985 175.900 -0.092 0.000 1.136 544 Y CA 1.767 59.805 58.100 -0.104 0.000 1.147 544 Y CB -0.019 38.332 38.460 -0.182 0.000 0.987 544 Y HN -0.038 nan 8.280 nan 0.000 0.509 545 R N -0.529 119.938 120.500 -0.055 0.000 2.148 545 R HA -0.133 4.209 4.340 0.002 0.000 0.227 545 R C 2.747 179.009 176.300 -0.063 0.000 1.103 545 R CA 1.208 57.255 56.100 -0.089 0.000 0.983 545 R CB -0.440 29.844 30.300 -0.027 0.000 0.874 545 R HN 0.298 nan 8.270 nan 0.000 0.451 546 S N 0.155 115.847 115.700 -0.013 0.000 2.357 546 S HA -0.083 4.388 4.470 0.002 0.000 0.221 546 S C 1.805 176.459 174.600 0.091 0.000 1.031 546 S CA 1.033 59.291 58.200 0.096 0.000 0.982 546 S CB 0.054 63.434 63.200 0.300 0.000 0.853 546 S HN 0.215 nan 8.310 nan 0.000 0.458 547 M N 0.491 120.105 119.600 0.024 0.000 2.492 547 M HA 0.074 4.555 4.480 0.002 0.000 0.262 547 M C 1.731 177.979 176.300 -0.087 0.000 1.090 547 M CA 0.396 55.706 55.300 0.015 0.000 1.110 547 M CB -0.195 32.409 32.600 0.008 0.000 1.407 547 M HN 0.284 nan 8.290 nan 0.000 0.470 548 L N 0.400 121.499 121.223 -0.208 0.000 2.141 548 L HA -0.095 4.246 4.340 0.002 0.000 0.209 548 L C 1.928 178.768 176.870 -0.049 0.000 1.094 548 L CA 1.738 56.446 54.840 -0.220 0.000 0.763 548 L CB -0.381 41.493 42.059 -0.309 0.000 0.908 548 L HN 0.284 nan 8.230 nan 0.000 0.437 549 L N -1.889 119.335 121.223 0.001 0.000 2.209 549 L HA 0.304 4.645 4.340 0.002 0.000 0.207 549 L C 1.093 177.994 176.870 0.052 0.000 1.094 549 L CA 0.455 55.327 54.840 0.054 0.000 0.790 549 L CB -0.325 41.749 42.059 0.024 0.000 0.932 549 L HN 0.410 nan 8.230 nan 0.000 0.447 550 G N -0.054 108.780 108.800 0.056 0.000 2.346 550 G HA2 -0.157 3.804 3.960 0.002 0.000 0.294 550 G HA3 -0.157 3.804 3.960 0.002 0.000 0.294 550 G C -0.631 174.369 174.900 0.167 0.000 1.294 550 G CA -0.045 45.108 45.100 0.088 0.000 0.962 550 G HN 0.074 nan 8.290 nan 0.000 0.508 551 N N -0.043 118.769 118.700 0.186 0.000 2.187 551 N HA 0.340 5.081 4.740 0.002 0.000 0.212 551 N C 0.715 176.429 175.510 0.339 0.000 1.152 551 N CA 0.760 53.972 53.050 0.270 0.000 0.872 551 N CB 1.154 39.736 38.487 0.159 0.000 1.025 551 N HN 1.070 nan 8.380 nan 0.000 0.514 552 G N 0.194 109.155 108.800 0.268 0.000 2.489 552 G HA2 0.327 4.288 3.960 0.002 0.000 0.327 552 G HA3 0.327 4.288 3.960 0.002 0.000 0.327 552 G C 0.419 175.372 174.900 0.088 0.000 1.189 552 G CA -0.789 44.437 45.100 0.210 0.000 0.962 552 G HN 0.137 nan 8.290 nan 0.000 0.486 553 R N -0.772 119.706 120.500 -0.037 0.000 2.073 553 R HA -0.007 4.334 4.340 0.002 0.000 0.229 553 R C -0.253 175.779 176.300 -0.445 0.000 1.120 553 R CA 0.826 56.727 56.100 -0.331 0.000 0.967 553 R CB -0.239 29.741 30.300 -0.533 0.000 0.862 553 R HN 0.456 nan 8.270 nan 0.000 0.436 554 Y N 0.639 120.932 120.300 -0.012 0.000 2.383 554 Y HA 0.366 4.918 4.550 0.002 0.000 0.344 554 Y C -0.591 175.309 175.900 -0.000 0.000 0.986 554 Y CA -0.774 57.318 58.100 -0.012 0.000 1.175 554 Y CB 1.732 40.195 38.460 0.005 0.000 1.152 554 Y HN -0.242 nan 8.280 nan 0.000 0.511 555 V N 6.129 126.129 119.914 0.143 0.000 2.524 555 V HA 0.384 4.506 4.120 0.002 0.000 0.297 555 V C -2.496 173.709 176.094 0.184 0.000 1.035 555 V CA -2.015 60.365 62.300 0.134 0.000 0.867 555 V CB 2.270 34.145 31.823 0.085 0.000 1.004 555 V HN 0.544 nan 8.190 nan 0.000 0.426 556 P HA 0.370 nan 4.420 nan 0.000 0.292 556 P C -0.930 176.435 177.300 0.108 0.000 1.326 556 P CA -0.172 62.953 63.100 0.042 0.000 0.787 556 P CB 0.664 32.365 31.700 0.001 0.000 0.903 557 F N 1.201 121.227 119.950 0.127 0.000 2.440 557 F HA 0.650 5.178 4.527 0.002 0.000 0.328 557 F C -0.380 175.528 175.800 0.180 0.000 1.070 557 F CA -1.164 56.942 58.000 0.177 0.000 1.011 557 F CB 1.425 40.600 39.000 0.292 0.000 1.226 557 F HN 0.403 nan 8.300 nan 0.000 0.491 558 H N 3.882 123.093 119.070 0.235 0.000 3.181 558 H HA 0.582 5.139 4.556 0.002 0.000 0.331 558 H C -1.476 173.915 175.328 0.105 0.000 0.988 558 H CA -0.916 55.190 56.048 0.096 0.000 1.449 558 H CB 1.424 31.200 29.762 0.023 0.000 1.749 558 H HN 0.894 nan 8.280 nan 0.000 0.501 559 I N 0.954 121.643 120.570 0.198 0.000 3.145 559 I HA 0.533 4.705 4.170 0.002 0.000 0.313 559 I C -1.558 174.473 176.117 -0.144 0.000 1.122 559 I CA -1.273 59.971 61.300 -0.092 0.000 0.987 559 I CB 2.680 40.463 38.000 -0.362 0.000 1.236 559 I HN 0.390 nan 8.210 nan 0.000 0.453 560 Q N 2.389 122.065 119.800 -0.206 0.000 2.333 560 Q HA 0.627 4.968 4.340 0.002 0.000 0.268 560 Q C -1.218 174.839 176.000 0.094 0.000 1.007 560 Q CA -0.545 55.190 55.803 -0.114 0.000 0.810 560 Q CB 2.533 30.935 28.738 -0.561 0.000 1.264 560 Q HN 0.548 nan 8.270 nan 0.000 0.452 561 V N 4.868 124.888 119.914 0.176 0.000 2.417 561 V HA 0.574 4.696 4.120 0.002 0.000 0.291 561 V C -2.134 174.080 176.094 0.200 0.000 1.024 561 V CA -1.831 60.576 62.300 0.179 0.000 0.861 561 V CB 1.550 33.425 31.823 0.087 0.000 0.985 561 V HN 0.710 nan 8.190 nan 0.000 0.436 562 P HA 0.267 nan 4.420 nan 0.000 0.279 562 P C -1.245 175.898 177.300 -0.263 0.000 1.252 562 P CA -0.613 62.255 63.100 -0.386 0.000 0.811 562 P CB 1.321 32.445 31.700 -0.959 0.000 1.035 563 Q N 1.375 121.005 119.800 -0.284 0.000 2.274 563 Q HA 0.187 4.528 4.340 0.002 0.000 0.256 563 Q C 0.318 176.177 176.000 -0.235 0.000 0.927 563 Q CA 0.452 56.118 55.803 -0.229 0.000 0.939 563 Q CB 0.869 29.475 28.738 -0.221 0.000 1.201 563 Q HN 0.296 nan 8.270 nan 0.000 0.426 564 K N 3.410 123.705 120.400 -0.175 0.000 2.380 564 K HA 0.152 4.473 4.320 0.002 0.000 0.198 564 K C -0.329 176.196 176.600 -0.126 0.000 1.070 564 K CA -0.268 55.818 56.287 -0.336 0.000 1.040 564 K CB 0.420 32.508 32.500 -0.686 0.000 0.903 564 K HN 0.478 nan 8.250 nan 0.000 0.549 565 F N 2.847 122.724 119.950 -0.123 0.000 2.590 565 F HA -0.078 4.450 4.527 0.002 0.000 0.389 565 F C 1.110 176.898 175.800 -0.021 0.000 1.049 565 F CA -1.126 56.887 58.000 0.021 0.000 1.199 565 F CB 0.199 39.343 39.000 0.241 0.000 1.058 565 F HN 0.057 nan 8.300 nan 0.000 0.556 566 F N 4.298 123.926 119.950 -0.537 0.000 2.161 566 F HA -0.115 4.413 4.527 0.002 0.000 0.300 566 F C 1.767 177.323 175.800 -0.407 0.000 1.089 566 F CA 1.331 59.102 58.000 -0.383 0.000 1.282 566 F CB -1.210 37.623 39.000 -0.279 0.000 1.010 566 F HN 0.391 nan 8.300 nan 0.000 0.485 567 A N 1.198 123.073 122.820 -1.574 0.000 2.067 567 A HA 0.036 4.357 4.320 0.002 0.000 0.219 567 A C 2.104 179.383 177.584 -0.508 0.000 1.158 567 A CA 1.638 53.110 52.037 -0.941 0.000 0.661 567 A CB -1.116 17.458 19.000 -0.710 0.000 0.801 567 A HN 0.796 nan 8.150 nan 0.000 0.452 568 I N -4.486 115.872 120.570 -0.353 0.000 4.526 568 I HA 0.159 4.330 4.170 0.002 0.000 0.330 568 I C 1.566 177.484 176.117 -0.332 0.000 1.323 568 I CA 0.459 61.583 61.300 -0.294 0.000 1.218 568 I CB -0.003 37.952 38.000 -0.074 0.000 1.233 568 I HN 0.159 nan 8.210 nan 0.000 0.430 569 K N 1.351 121.572 120.400 -0.299 0.000 2.152 569 K HA -0.037 4.284 4.320 0.002 0.000 0.206 569 K C 0.617 177.076 176.600 -0.236 0.000 1.048 569 K CA 1.699 57.852 56.287 -0.223 0.000 0.933 569 K CB -0.420 32.001 32.500 -0.131 0.000 0.721 569 K HN 0.379 nan 8.250 nan 0.000 0.447 570 N N 0.700 119.179 118.700 -0.369 0.000 2.238 570 N HA 0.093 4.834 4.740 0.002 0.000 0.235 570 N C -0.615 174.763 175.510 -0.220 0.000 1.209 570 N CA -0.338 52.581 53.050 -0.218 0.000 0.879 570 N CB 0.587 39.045 38.487 -0.048 0.000 1.136 570 N HN 0.096 nan 8.380 nan 0.000 0.517 571 L N 1.619 122.609 121.223 -0.389 0.000 2.453 571 L HA 0.200 4.542 4.340 0.002 0.000 0.272 571 L C -0.203 176.621 176.870 -0.077 0.000 1.182 571 L CA -0.222 54.505 54.840 -0.188 0.000 0.858 571 L CB 0.512 42.411 42.059 -0.266 0.000 1.120 571 L HN -0.023 nan 8.230 nan 0.000 0.474 572 L N 5.821 127.058 121.223 0.024 0.000 2.259 572 L HA 0.399 4.741 4.340 0.002 0.000 0.288 572 L C -0.839 176.003 176.870 -0.047 0.000 1.051 572 L CA -0.123 54.708 54.840 -0.014 0.000 0.824 572 L CB 0.852 42.926 42.059 0.026 0.000 1.206 572 L HN 0.637 nan 8.230 nan 0.000 0.429 573 L N 5.817 126.972 121.223 -0.112 0.000 2.290 573 L HA 0.433 4.774 4.340 0.002 0.000 0.284 573 L C -0.333 176.522 176.870 -0.025 0.000 1.078 573 L CA 0.202 54.945 54.840 -0.161 0.000 0.815 573 L CB 0.830 42.682 42.059 -0.345 0.000 1.162 573 L HN 0.550 nan 8.230 nan 0.000 0.435 574 L N 5.482 126.730 121.223 0.041 0.000 2.469 574 L HA 0.462 4.803 4.340 0.002 0.000 0.253 574 L C -1.917 175.089 176.870 0.227 0.000 1.143 574 L CA -2.095 52.817 54.840 0.119 0.000 0.804 574 L CB 0.102 42.217 42.059 0.092 0.000 1.214 574 L HN 0.470 nan 8.230 nan 0.000 0.476 575 P HA 0.152 nan 4.420 nan 0.000 0.265 575 P C -0.187 177.200 177.300 0.145 0.000 1.187 575 P CA 0.480 63.677 63.100 0.163 0.000 0.766 575 P CB 0.515 32.266 31.700 0.086 0.000 0.820 576 G N 0.644 109.485 108.800 0.068 0.000 2.368 576 G HA2 0.241 4.202 3.960 0.002 0.000 0.302 576 G HA3 0.241 4.202 3.960 0.002 0.000 0.302 576 G C -1.452 173.236 174.900 -0.354 0.000 1.329 576 G CA -0.606 44.375 45.100 -0.199 0.000 0.935 576 G HN 0.339 nan 8.290 nan 0.000 0.590 577 S N -0.231 115.145 115.700 -0.541 0.000 2.454 577 S HA 0.805 5.276 4.470 0.002 0.000 0.306 577 S C -1.302 172.940 174.600 -0.596 0.000 1.100 577 S CA -0.346 57.635 58.200 -0.365 0.000 1.087 577 S CB 0.835 63.944 63.200 -0.152 0.000 1.019 577 S HN 0.491 nan 8.310 nan 0.000 0.480 578 Y N 0.324 120.628 120.300 0.007 0.000 2.499 578 Y HA 0.443 4.994 4.550 0.002 0.000 0.347 578 Y C 0.599 176.532 175.900 0.054 0.000 0.987 578 Y CA -1.035 57.076 58.100 0.019 0.000 1.044 578 Y CB 1.310 39.761 38.460 -0.014 0.000 1.245 578 Y HN 0.334 nan 8.280 nan 0.000 0.461 579 T N 2.724 117.419 114.554 0.235 0.000 2.743 579 T HA 0.211 4.563 4.350 0.002 0.000 0.293 579 T C -1.371 173.535 174.700 0.342 0.000 0.945 579 T CA -0.325 61.909 62.100 0.223 0.000 1.030 579 T CB -0.278 68.677 68.868 0.146 0.000 0.912 579 T HN 0.564 nan 8.240 nan 0.000 0.483 580 Y N 3.166 123.601 120.300 0.224 0.000 2.345 580 Y HA 0.468 5.020 4.550 0.002 0.000 0.331 580 Y C -0.055 176.093 175.900 0.414 0.000 0.959 580 Y CA -0.810 57.470 58.100 0.299 0.000 1.204 580 Y CB 0.708 39.316 38.460 0.247 0.000 1.135 580 Y HN 0.608 nan 8.280 nan 0.000 0.477 581 E N 6.694 127.116 120.200 0.370 0.000 2.293 581 E HA 0.251 4.603 4.350 0.002 0.000 0.270 581 E C -1.989 174.687 176.600 0.126 0.000 0.879 581 E CA -0.607 55.901 56.400 0.180 0.000 0.756 581 E CB 1.853 31.585 29.700 0.054 0.000 1.208 581 E HN 0.724 nan 8.360 nan 0.000 0.428 582 W N 2.662 123.858 121.300 -0.174 0.000 3.118 582 W HA 0.398 5.059 4.660 0.002 0.000 0.328 582 W C -1.199 175.118 176.519 -0.336 0.000 1.239 582 W CA -0.622 56.520 57.345 -0.338 0.000 1.176 582 W CB 2.210 31.322 29.460 -0.580 0.000 1.433 582 W HN 0.525 nan 8.180 nan 0.000 0.562 583 N N 2.039 120.496 118.700 -0.404 0.000 2.361 583 N HA 0.503 5.244 4.740 0.002 0.000 0.302 583 N C -1.536 173.916 175.510 -0.096 0.000 1.074 583 N CA -0.245 52.729 53.050 -0.128 0.000 0.850 583 N CB 1.782 40.131 38.487 -0.230 0.000 1.228 583 N HN 0.041 nan 8.380 nan 0.000 0.491 584 F N 0.508 120.641 119.950 0.305 0.000 2.532 584 F HA 0.471 4.999 4.527 0.002 0.000 0.321 584 F C 0.986 177.007 175.800 0.367 0.000 1.089 584 F CA -0.873 57.259 58.000 0.219 0.000 0.926 584 F CB 1.457 40.422 39.000 -0.058 0.000 1.168 584 F HN 0.037 nan 8.300 nan 0.000 0.459 585 R N 1.596 122.289 120.500 0.323 0.000 2.531 585 R HA 0.367 4.708 4.340 0.002 0.000 0.273 585 R C 0.357 176.941 176.300 0.473 0.000 1.070 585 R CA -0.501 55.772 56.100 0.288 0.000 1.112 585 R CB 1.150 31.426 30.300 -0.041 0.000 1.049 585 R HN 0.701 nan 8.270 nan 0.000 0.508 586 K N 0.432 121.079 120.400 0.411 0.000 2.402 586 K HA 0.019 4.341 4.320 0.002 0.000 0.203 586 K C -0.336 176.391 176.600 0.212 0.000 1.077 586 K CA -0.106 56.346 56.287 0.275 0.000 1.051 586 K CB 0.512 33.150 32.500 0.229 0.000 0.907 586 K HN 0.476 nan 8.250 nan 0.000 0.554 587 D N 2.103 122.671 120.400 0.280 0.000 2.363 587 D HA -0.045 4.597 4.640 0.002 0.000 0.263 587 D C 1.375 177.776 176.300 0.168 0.000 1.258 587 D CA -0.078 54.084 54.000 0.271 0.000 0.907 587 D CB 1.216 42.197 40.800 0.302 0.000 1.107 587 D HN -0.045 nan 8.370 nan 0.000 0.495 588 V N 2.301 122.285 119.914 0.116 0.000 2.568 588 V HA -0.211 3.910 4.120 0.002 0.000 0.253 588 V C 1.588 177.712 176.094 0.050 0.000 1.072 588 V CA 1.354 63.683 62.300 0.048 0.000 1.084 588 V CB -0.601 31.220 31.823 -0.005 0.000 0.676 588 V HN 0.395 nan 8.190 nan 0.000 0.469 589 N N -0.298 118.457 118.700 0.091 0.000 2.459 589 N HA 0.062 4.804 4.740 0.002 0.000 0.181 589 N C 1.527 177.172 175.510 0.224 0.000 1.046 589 N CA 1.301 54.413 53.050 0.103 0.000 0.904 589 N CB -0.036 38.511 38.487 0.100 0.000 0.964 589 N HN 0.458 nan 8.380 nan 0.000 0.444 590 M N -0.626 119.088 119.600 0.189 0.000 2.718 590 M HA 0.096 4.577 4.480 0.002 0.000 0.259 590 M C 2.053 178.443 176.300 0.149 0.000 1.240 590 M CA 0.644 56.040 55.300 0.160 0.000 1.210 590 M CB -0.811 31.837 32.600 0.080 0.000 1.281 590 M HN 0.005 nan 8.290 nan 0.000 0.515 591 V N -1.497 118.513 119.914 0.160 0.000 2.951 591 V HA 0.160 4.281 4.120 0.002 0.000 0.255 591 V C 1.046 177.254 176.094 0.190 0.000 1.088 591 V CA 0.454 62.895 62.300 0.234 0.000 1.109 591 V CB -0.498 31.512 31.823 0.311 0.000 0.724 591 V HN 0.187 nan 8.190 nan 0.000 0.471 592 L N 0.847 122.097 121.223 0.044 0.000 2.334 592 L HA 0.641 4.982 4.340 0.002 0.000 0.270 592 L C -0.378 176.470 176.870 -0.035 0.000 1.018 592 L CA -0.397 54.395 54.840 -0.078 0.000 0.811 592 L CB 1.780 43.730 42.059 -0.181 0.000 1.271 592 L HN 0.266 nan 8.230 nan 0.000 0.443 593 Q N 1.060 120.827 119.800 -0.055 0.000 2.331 593 Q HA 0.525 4.866 4.340 0.002 0.000 0.272 593 Q C -1.476 174.510 176.000 -0.024 0.000 1.062 593 Q CA -0.538 55.246 55.803 -0.032 0.000 0.806 593 Q CB 2.584 31.332 28.738 0.015 0.000 1.312 593 Q HN 0.771 nan 8.270 nan 0.000 0.431 594 S N 0.602 116.282 115.700 -0.033 0.000 2.600 594 S HA 0.404 4.875 4.470 0.002 0.000 0.300 594 S C 0.563 175.204 174.600 0.069 0.000 1.087 594 S CA -0.080 58.133 58.200 0.022 0.000 0.965 594 S CB 1.702 64.890 63.200 -0.020 0.000 1.089 594 S HN 0.718 nan 8.310 nan 0.000 0.496 595 S N 0.964 116.755 115.700 0.152 0.000 2.436 595 S HA 0.011 4.483 4.470 0.002 0.000 0.228 595 S C 1.360 176.071 174.600 0.185 0.000 1.014 595 S CA 0.242 58.566 58.200 0.207 0.000 0.950 595 S CB -0.540 62.854 63.200 0.325 0.000 0.784 595 S HN 0.494 nan 8.310 nan 0.000 0.504 596 L N 1.517 122.815 121.223 0.124 0.000 2.375 596 L HA 0.390 4.731 4.340 0.002 0.000 0.215 596 L C 1.936 178.843 176.870 0.061 0.000 1.108 596 L CA 1.166 56.063 54.840 0.095 0.000 0.830 596 L CB -1.286 40.815 42.059 0.070 0.000 0.959 596 L HN 0.590 nan 8.230 nan 0.000 0.457 597 G N 0.132 108.923 108.800 -0.015 0.000 2.143 597 G HA2 -0.307 3.655 3.960 0.002 0.000 0.248 597 G HA3 -0.307 3.655 3.960 0.002 0.000 0.248 597 G C 0.390 175.213 174.900 -0.128 0.000 0.991 597 G CA 0.461 45.457 45.100 -0.174 0.000 0.689 597 G HN 0.554 nan 8.290 nan 0.000 0.522 598 N N 0.504 119.180 118.700 -0.040 0.000 2.371 598 N HA 0.240 4.981 4.740 0.002 0.000 0.243 598 N C -0.382 175.092 175.510 -0.061 0.000 1.287 598 N CA -0.046 52.998 53.050 -0.009 0.000 0.911 598 N CB 0.607 39.130 38.487 0.061 0.000 1.142 598 N HN 0.116 nan 8.380 nan 0.000 0.451 599 D N 0.579 120.956 120.400 -0.039 0.000 2.348 599 D HA 0.070 4.712 4.640 0.002 0.000 0.259 599 D C 1.034 177.309 176.300 -0.041 0.000 1.296 599 D CA -0.207 53.759 54.000 -0.056 0.000 0.931 599 D CB 0.018 40.798 40.800 -0.035 0.000 1.067 599 D HN 0.481 nan 8.370 nan 0.000 0.503 600 L N 3.729 124.917 121.223 -0.058 0.000 2.362 600 L HA -0.065 4.277 4.340 0.002 0.000 0.219 600 L C 2.402 179.260 176.870 -0.020 0.000 1.134 600 L CA 0.446 55.258 54.840 -0.047 0.000 0.807 600 L CB -0.112 41.908 42.059 -0.065 0.000 0.927 600 L HN 0.303 nan 8.230 nan 0.000 0.447 601 R N -0.620 119.880 120.500 0.000 0.000 2.090 601 R HA -0.057 4.285 4.340 0.002 0.000 0.228 601 R C 2.176 178.490 176.300 0.023 0.000 1.110 601 R CA 0.970 57.089 56.100 0.032 0.000 0.973 601 R CB -0.446 29.893 30.300 0.065 0.000 0.869 601 R HN 0.203 nan 8.270 nan 0.000 0.440 602 V N 1.561 121.483 119.914 0.013 0.000 2.535 602 V HA -0.108 4.013 4.120 0.002 0.000 0.246 602 V C 0.806 176.904 176.094 0.007 0.000 1.045 602 V CA 1.460 63.768 62.300 0.013 0.000 1.058 602 V CB -0.196 31.633 31.823 0.010 0.000 0.689 602 V HN 0.165 nan 8.190 nan 0.000 0.461 603 D N 0.512 120.911 120.400 -0.002 0.000 2.519 603 D HA 0.229 4.870 4.640 0.002 0.000 0.238 603 D C 1.615 177.897 176.300 -0.029 0.000 1.192 603 D CA 0.875 54.868 54.000 -0.012 0.000 0.835 603 D CB -0.086 40.705 40.800 -0.014 0.000 0.975 603 D HN 0.457 nan 8.370 nan 0.000 0.490 604 G N 0.609 109.399 108.800 -0.016 0.000 2.166 604 G HA2 -0.295 3.667 3.960 0.002 0.000 0.260 604 G HA3 -0.295 3.667 3.960 0.002 0.000 0.260 604 G C 0.645 175.525 174.900 -0.032 0.000 0.986 604 G CA 0.304 45.394 45.100 -0.017 0.000 0.683 604 G HN 0.617 nan 8.290 nan 0.000 0.527 605 A N -0.543 122.248 122.820 -0.048 0.000 2.462 605 A HA 0.741 5.062 4.320 0.002 0.000 0.243 605 A C 0.658 178.213 177.584 -0.048 0.000 1.076 605 A CA 1.109 53.102 52.037 -0.073 0.000 0.773 605 A CB 0.895 19.840 19.000 -0.093 0.000 1.010 605 A HN 1.646 nan 8.150 nan 0.000 0.493 606 S N 0.933 116.600 115.700 -0.054 0.000 2.546 606 S HA 0.721 5.193 4.470 0.002 0.000 0.274 606 S C -1.141 173.430 174.600 -0.048 0.000 1.121 606 S CA -0.520 57.660 58.200 -0.033 0.000 0.887 606 S CB 0.916 64.114 63.200 -0.004 0.000 1.094 606 S HN 1.005 nan 8.310 nan 0.000 0.474 607 I N 2.842 123.372 120.570 -0.067 0.000 2.722 607 I HA 0.603 4.774 4.170 0.002 0.000 0.295 607 I C -1.565 174.434 176.117 -0.196 0.000 1.161 607 I CA -0.566 60.676 61.300 -0.098 0.000 1.032 607 I CB 1.892 39.796 38.000 -0.160 0.000 1.244 607 I HN 0.732 nan 8.210 nan 0.000 0.421 608 K N 6.671 126.969 120.400 -0.171 0.000 2.468 608 K HA 0.492 4.813 4.320 0.002 0.000 0.252 608 K C -1.990 174.467 176.600 -0.238 0.000 0.932 608 K CA -0.516 55.635 56.287 -0.227 0.000 0.794 608 K CB 1.573 34.020 32.500 -0.088 0.000 1.241 608 K HN 0.490 nan 8.250 nan 0.000 0.428 609 F N 3.785 123.675 119.950 -0.100 0.000 2.371 609 F HA 0.165 4.694 4.527 0.002 0.000 0.363 609 F C 0.944 176.569 175.800 -0.291 0.000 1.122 609 F CA -0.739 57.083 58.000 -0.296 0.000 1.129 609 F CB 1.258 39.819 39.000 -0.732 0.000 1.173 609 F HN 0.635 nan 8.300 nan 0.000 0.489 610 D N 0.991 121.356 120.400 -0.059 0.000 2.149 610 D HA -0.042 4.599 4.640 0.002 0.000 0.206 610 D C 0.738 177.017 176.300 -0.035 0.000 0.967 610 D CA 1.147 55.113 54.000 -0.057 0.000 0.848 610 D CB 0.297 41.036 40.800 -0.102 0.000 0.998 610 D HN 0.443 nan 8.370 nan 0.000 0.474 611 S N -0.653 115.001 115.700 -0.076 0.000 2.537 611 S HA 0.597 5.068 4.470 0.002 0.000 0.270 611 S C -1.022 173.547 174.600 -0.052 0.000 1.142 611 S CA -0.984 57.199 58.200 -0.029 0.000 0.870 611 S CB 2.183 65.373 63.200 -0.017 0.000 1.112 611 S HN 0.120 nan 8.310 nan 0.000 0.466 612 I N 1.829 122.415 120.570 0.027 0.000 2.534 612 I HA 0.699 4.871 4.170 0.002 0.000 0.288 612 I C -1.312 174.983 176.117 0.297 0.000 1.077 612 I CA -0.365 60.973 61.300 0.064 0.000 1.051 612 I CB 1.128 39.071 38.000 -0.095 0.000 1.234 612 I HN 0.966 nan 8.210 nan 0.000 0.425 613 C N 5.948 125.437 119.300 0.315 0.000 2.771 613 C HA 0.709 5.170 4.460 0.002 0.000 0.333 613 C C -0.668 174.426 174.990 0.173 0.000 1.267 613 C CA -0.641 58.573 59.018 0.326 0.000 1.721 613 C CB 1.768 29.622 27.740 0.190 0.000 2.222 613 C HN 0.668 nan 8.230 nan 0.000 0.485 614 L N 1.643 122.799 121.223 -0.111 0.000 2.333 614 L HA 0.621 4.962 4.340 0.002 0.000 0.280 614 L C -1.473 175.285 176.870 -0.187 0.000 1.004 614 L CA -0.038 54.632 54.840 -0.284 0.000 0.820 614 L CB 0.450 42.074 42.059 -0.725 0.000 1.247 614 L HN 0.664 nan 8.230 nan 0.000 0.416 615 Y N 3.577 123.688 120.300 -0.315 0.000 2.446 615 Y HA 0.829 5.380 4.550 0.002 0.000 0.338 615 Y C 0.136 175.851 175.900 -0.308 0.000 1.055 615 Y CA -0.325 57.564 58.100 -0.352 0.000 1.101 615 Y CB 2.295 40.331 38.460 -0.707 0.000 1.221 615 Y HN 0.777 nan 8.280 nan 0.000 0.460 616 A N 1.585 124.451 122.820 0.077 0.000 2.459 616 A HA 0.733 5.054 4.320 0.002 0.000 0.296 616 A C -1.135 176.508 177.584 0.098 0.000 1.039 616 A CA -0.694 51.358 52.037 0.023 0.000 0.698 616 A CB 1.115 20.181 19.000 0.110 0.000 1.261 616 A HN 0.586 nan 8.150 nan 0.000 0.405 617 T N 2.065 116.604 114.554 -0.025 0.000 2.823 617 T HA 0.676 5.028 4.350 0.002 0.000 0.279 617 T C -1.058 173.646 174.700 0.008 0.000 0.998 617 T CA 0.079 62.254 62.100 0.124 0.000 0.994 617 T CB 0.329 69.279 68.868 0.137 0.000 0.960 617 T HN 0.331 nan 8.240 nan 0.000 0.448 618 F N 1.932 121.951 119.950 0.116 0.000 2.482 618 F HA 0.508 5.036 4.527 0.002 0.000 0.331 618 F C 0.040 175.936 175.800 0.160 0.000 1.115 618 F CA -1.848 56.237 58.000 0.142 0.000 0.955 618 F CB 0.913 39.990 39.000 0.129 0.000 1.136 618 F HN 0.531 nan 8.300 nan 0.000 0.452 619 F N 6.322 126.402 119.950 0.218 0.000 2.578 619 F HA 0.244 4.772 4.527 0.002 0.000 0.376 619 F C -1.601 174.303 175.800 0.173 0.000 1.085 619 F CA -1.877 56.214 58.000 0.152 0.000 1.260 619 F CB 0.702 39.768 39.000 0.109 0.000 1.095 619 F HN 0.241 nan 8.300 nan 0.000 0.573 620 P HA 0.005 nan 4.420 nan 0.000 0.225 620 P C -0.267 177.039 177.300 0.011 0.000 1.768 620 P CA 0.000 63.050 63.100 -0.083 0.000 0.943 620 P CB -0.122 31.470 31.700 -0.179 0.000 1.936 621 M N 1.518 121.329 119.600 0.352 0.000 2.249 621 M HA 0.244 4.725 4.480 0.002 0.000 0.340 621 M C 0.309 176.769 176.300 0.267 0.000 1.166 621 M CA -0.114 55.461 55.300 0.458 0.000 1.115 621 M CB 0.638 33.523 32.600 0.475 0.000 1.606 621 M HN 0.164 nan 8.290 nan 0.000 0.448 622 A N 3.694 126.633 122.820 0.199 0.000 2.540 622 A HA -0.000 4.321 4.320 0.002 0.000 0.239 622 A C 0.535 178.246 177.584 0.211 0.000 1.061 622 A CA -0.143 51.958 52.037 0.106 0.000 0.758 622 A CB -0.068 18.989 19.000 0.095 0.000 0.991 622 A HN 1.013 nan 8.150 nan 0.000 0.502 623 H N 2.316 121.432 119.070 0.077 0.000 2.422 623 H HA -0.153 4.404 4.556 0.002 0.000 0.298 623 H C 2.031 177.397 175.328 0.063 0.000 1.098 623 H CA 2.025 58.113 56.048 0.067 0.000 1.315 623 H CB -0.109 29.683 29.762 0.050 0.000 1.382 623 H HN 0.894 nan 8.280 nan 0.000 0.523 624 N N 0.254 119.065 118.700 0.184 0.000 2.188 624 N HA -0.100 4.641 4.740 0.002 0.000 0.184 624 N C 1.522 177.095 175.510 0.105 0.000 1.018 624 N CA 1.599 54.722 53.050 0.122 0.000 0.858 624 N CB -0.789 37.758 38.487 0.099 0.000 0.989 624 N HN 0.204 nan 8.380 nan 0.000 0.426 625 T N 1.216 115.838 114.554 0.113 0.000 2.737 625 T HA 0.097 4.448 4.350 0.002 0.000 0.265 625 T C 2.202 176.958 174.700 0.093 0.000 1.038 625 T CA 1.583 63.739 62.100 0.093 0.000 1.144 625 T CB -0.489 68.436 68.868 0.095 0.000 0.866 625 T HN 0.487 nan 8.240 nan 0.000 0.434 626 A N 1.311 124.208 122.820 0.128 0.000 1.908 626 A HA -0.124 4.198 4.320 0.002 0.000 0.218 626 A C 2.574 180.207 177.584 0.081 0.000 1.181 626 A CA 2.196 54.303 52.037 0.117 0.000 0.627 626 A CB -1.152 17.944 19.000 0.160 0.000 0.818 626 A HN 0.458 nan 8.150 nan 0.000 0.445 627 S N -1.137 114.611 115.700 0.079 0.000 2.370 627 S HA -0.156 4.316 4.470 0.002 0.000 0.226 627 S C 2.043 176.672 174.600 0.048 0.000 1.033 627 S CA 2.304 60.537 58.200 0.055 0.000 1.011 627 S CB -0.606 62.627 63.200 0.056 0.000 0.852 627 S HN 0.608 nan 8.310 nan 0.000 0.457 628 T N 2.365 116.950 114.554 0.051 0.000 2.812 628 T HA 0.011 4.363 4.350 0.002 0.000 0.264 628 T C 1.682 176.401 174.700 0.033 0.000 1.042 628 T CA 1.289 63.413 62.100 0.040 0.000 1.140 628 T CB -0.448 68.445 68.868 0.042 0.000 0.870 628 T HN 0.353 nan 8.240 nan 0.000 0.445 629 L N 1.635 122.879 121.223 0.035 0.000 2.083 629 L HA -0.026 4.315 4.340 0.002 0.000 0.209 629 L C 2.419 179.303 176.870 0.025 0.000 1.083 629 L CA 1.923 56.778 54.840 0.025 0.000 0.752 629 L CB -0.610 41.464 42.059 0.025 0.000 0.899 629 L HN 0.321 nan 8.230 nan 0.000 0.433 630 E N -0.371 119.849 120.200 0.033 0.000 2.077 630 E HA -0.243 4.109 4.350 0.002 0.000 0.193 630 E C 2.074 178.684 176.600 0.017 0.000 0.989 630 E CA 1.220 57.638 56.400 0.029 0.000 0.800 630 E CB -0.241 29.481 29.700 0.037 0.000 0.746 630 E HN 0.587 nan 8.360 nan 0.000 0.452 631 A N 1.097 123.928 122.820 0.018 0.000 1.908 631 A HA -0.190 4.131 4.320 0.002 0.000 0.218 631 A C 2.267 179.855 177.584 0.007 0.000 1.181 631 A CA 1.867 53.910 52.037 0.011 0.000 0.627 631 A CB -0.548 18.462 19.000 0.018 0.000 0.818 631 A HN 0.352 nan 8.150 nan 0.000 0.445 632 M N -0.694 118.912 119.600 0.010 0.000 2.132 632 M HA -0.053 4.428 4.480 0.002 0.000 0.263 632 M C 1.831 178.134 176.300 0.006 0.000 1.065 632 M CA 1.263 56.568 55.300 0.008 0.000 1.122 632 M CB -0.446 32.159 32.600 0.008 0.000 1.365 632 M HN 0.326 nan 8.290 nan 0.000 0.411 633 L N -0.655 120.571 121.223 0.006 0.000 2.551 633 L HA -0.088 4.254 4.340 0.002 0.000 0.228 633 L C 2.159 179.027 176.870 -0.003 0.000 1.153 633 L CA 0.501 55.344 54.840 0.005 0.000 0.851 633 L CB -0.468 41.596 42.059 0.009 0.000 0.959 633 L HN 0.264 nan 8.230 nan 0.000 0.451 634 R N -0.427 120.062 120.500 -0.019 0.000 2.297 634 R HA 0.080 4.421 4.340 0.002 0.000 0.197 634 R C 0.051 176.330 176.300 -0.034 0.000 0.943 634 R CA -0.086 55.974 56.100 -0.067 0.000 1.038 634 R CB 0.080 30.325 30.300 -0.093 0.000 0.957 634 R HN 0.345 nan 8.270 nan 0.000 0.484 635 N N 1.639 120.350 118.700 0.019 0.000 2.514 635 N HA -0.026 4.716 4.740 0.002 0.000 0.277 635 N C 0.146 175.724 175.510 0.113 0.000 1.126 635 N CA 0.108 53.193 53.050 0.059 0.000 0.978 635 N CB 1.333 39.837 38.487 0.030 0.000 1.106 635 N HN 0.110 nan 8.380 nan 0.000 0.461 636 D N -0.361 120.130 120.400 0.151 0.000 2.221 636 D HA -0.183 4.458 4.640 0.002 0.000 0.204 636 D C 1.500 177.802 176.300 0.003 0.000 0.982 636 D CA 1.170 55.203 54.000 0.054 0.000 0.857 636 D CB -0.221 40.470 40.800 -0.181 0.000 0.934 636 D HN 0.522 nan 8.370 nan 0.000 0.475 637 T N -0.538 114.018 114.554 0.004 0.000 2.833 637 T HA -0.142 4.210 4.350 0.002 0.000 0.269 637 T C 1.016 175.710 174.700 -0.009 0.000 1.054 637 T CA 1.017 63.110 62.100 -0.011 0.000 1.135 637 T CB -0.357 68.507 68.868 -0.007 0.000 0.869 637 T HN 0.040 nan 8.240 nan 0.000 0.466 638 N N 1.986 120.690 118.700 0.007 0.000 2.320 638 N HA 0.165 4.906 4.740 0.002 0.000 0.237 638 N C -0.847 174.666 175.510 0.005 0.000 1.129 638 N CA -0.162 52.887 53.050 -0.001 0.000 0.854 638 N CB 0.164 38.652 38.487 0.001 0.000 1.083 638 N HN 0.476 nan 8.380 nan 0.000 0.504 639 D N 1.339 121.749 120.400 0.016 0.000 2.423 639 D HA 0.042 4.683 4.640 0.002 0.000 0.238 639 D C 0.743 177.018 176.300 -0.041 0.000 1.142 639 D CA 0.546 54.563 54.000 0.029 0.000 0.884 639 D CB 1.170 41.989 40.800 0.032 0.000 1.199 639 D HN 0.129 nan 8.370 nan 0.000 0.438 640 Q N 0.142 119.913 119.800 -0.047 0.000 2.312 640 Q HA 0.510 4.851 4.340 0.002 0.000 0.236 640 Q C -0.342 175.481 176.000 -0.294 0.000 0.965 640 Q CA -0.459 55.232 55.803 -0.187 0.000 0.894 640 Q CB 1.237 29.932 28.738 -0.072 0.000 1.225 640 Q HN 0.504 nan 8.270 nan 0.000 0.478 641 S N 0.392 115.690 115.700 -0.670 0.000 2.533 641 S HA 0.758 5.229 4.470 0.002 0.000 0.271 641 S C -1.373 172.722 174.600 -0.841 0.000 1.143 641 S CA -0.849 57.047 58.200 -0.506 0.000 0.891 641 S CB 0.784 63.846 63.200 -0.229 0.000 1.105 641 S HN 0.411 nan 8.310 nan 0.000 0.468 642 F N 1.425 121.414 119.950 0.066 0.000 2.613 642 F HA 0.660 5.188 4.527 0.002 0.000 0.314 642 F C -0.143 175.785 175.800 0.213 0.000 1.075 642 F CA -0.778 57.301 58.000 0.132 0.000 0.945 642 F CB 1.909 40.999 39.000 0.151 0.000 1.310 642 F HN 0.830 nan 8.300 nan 0.000 0.467 643 N N -0.145 118.743 118.700 0.313 0.000 2.229 643 N HA 0.268 5.009 4.740 0.002 0.000 0.298 643 N C -1.866 173.524 175.510 -0.201 0.000 1.114 643 N CA -0.611 52.452 53.050 0.023 0.000 0.776 643 N CB 2.291 40.783 38.487 0.010 0.000 1.501 643 N HN 0.632 nan 8.380 nan 0.000 0.474 644 D N 0.249 120.151 120.400 -0.830 0.000 2.424 644 D HA -0.012 4.629 4.640 0.002 0.000 0.244 644 D C 0.904 177.051 176.300 -0.254 0.000 1.134 644 D CA -0.111 53.476 54.000 -0.688 0.000 0.881 644 D CB 0.565 40.785 40.800 -0.966 0.000 1.191 644 D HN 0.500 nan 8.370 nan 0.000 0.445 645 Y N 3.620 123.812 120.300 -0.179 0.000 2.145 645 Y HA -0.163 4.388 4.550 0.002 0.000 0.286 645 Y C 1.746 177.552 175.900 -0.157 0.000 1.145 645 Y CA 1.441 59.462 58.100 -0.132 0.000 1.148 645 Y CB -0.256 38.151 38.460 -0.089 0.000 0.981 645 Y HN 0.530 nan 8.280 nan 0.000 0.507 646 L N 0.528 121.719 121.223 -0.054 0.000 2.083 646 L HA -0.095 4.247 4.340 0.002 0.000 0.209 646 L C 1.124 177.848 176.870 -0.243 0.000 1.083 646 L CA 1.749 56.511 54.840 -0.130 0.000 0.752 646 L CB -0.847 41.189 42.059 -0.039 0.000 0.899 646 L HN 0.218 nan 8.230 nan 0.000 0.433 647 S N -0.050 115.492 115.700 -0.262 0.000 3.356 647 S HA 0.011 4.482 4.470 0.002 0.000 0.376 647 S C 0.057 174.525 174.600 -0.220 0.000 0.924 647 S CA 0.498 58.526 58.200 -0.287 0.000 1.316 647 S CB -1.627 61.337 63.200 -0.393 0.000 0.922 647 S HN 0.944 nan 8.310 nan 0.000 0.553 648 A N 0.554 123.295 122.820 -0.131 0.000 2.612 648 A HA 0.867 5.188 4.320 0.002 0.000 0.293 648 A C -0.519 177.060 177.584 -0.008 0.000 1.075 648 A CA -0.090 51.902 52.037 -0.075 0.000 0.680 648 A CB 1.066 20.019 19.000 -0.078 0.000 1.279 648 A HN 1.502 nan 8.150 nan 0.000 0.411 649 A N 1.616 124.426 122.820 -0.015 0.000 2.274 649 A HA 0.637 4.959 4.320 0.002 0.000 0.309 649 A C -0.391 177.267 177.584 0.123 0.000 1.226 649 A CA -0.634 51.397 52.037 -0.011 0.000 0.853 649 A CB 0.103 18.938 19.000 -0.275 0.000 1.146 649 A HN 0.670 nan 8.150 nan 0.000 0.518 650 N N 3.276 122.094 118.700 0.198 0.000 2.425 650 N HA 0.425 5.167 4.740 0.002 0.000 0.268 650 N C -0.915 174.778 175.510 0.305 0.000 0.991 650 N CA -0.228 53.037 53.050 0.357 0.000 0.931 650 N CB 1.413 40.154 38.487 0.424 0.000 1.130 650 N HN 0.531 nan 8.380 nan 0.000 0.493 651 M N 2.502 122.334 119.600 0.387 0.000 2.465 651 M HA 0.508 4.989 4.480 0.002 0.000 0.316 651 M C -0.547 175.828 176.300 0.126 0.000 1.121 651 M CA -0.546 54.870 55.300 0.193 0.000 0.934 651 M CB 1.790 34.611 32.600 0.368 0.000 1.692 651 M HN 0.249 nan 8.290 nan 0.000 0.444 652 L N 3.059 124.153 121.223 -0.216 0.000 2.381 652 L HA 0.535 4.876 4.340 0.002 0.000 0.274 652 L C -1.595 175.043 176.870 -0.388 0.000 0.988 652 L CA -0.646 54.100 54.840 -0.157 0.000 0.824 652 L CB 1.661 43.616 42.059 -0.174 0.000 1.263 652 L HN 0.563 nan 8.230 nan 0.000 0.410 653 Y N 3.440 123.773 120.300 0.056 0.000 2.341 653 Y HA 0.427 4.978 4.550 0.002 0.000 0.338 653 Y C -2.118 173.785 175.900 0.005 0.000 0.965 653 Y CA -2.666 55.454 58.100 0.033 0.000 1.108 653 Y CB 1.562 40.044 38.460 0.036 0.000 1.180 653 Y HN 0.354 nan 8.280 nan 0.000 0.458 654 P HA 0.202 nan 4.420 nan 0.000 0.271 654 P C -0.559 176.773 177.300 0.054 0.000 1.216 654 P CA 0.227 63.360 63.100 0.056 0.000 0.771 654 P CB 1.409 33.127 31.700 0.030 0.000 0.864 655 I N 4.733 125.315 120.570 0.020 0.000 2.437 655 I HA 0.257 4.428 4.170 0.002 0.000 0.279 655 I C -2.278 173.834 176.117 -0.009 0.000 1.028 655 I CA -2.775 58.525 61.300 -0.000 0.000 1.142 655 I CB 1.646 39.628 38.000 -0.030 0.000 1.266 655 I HN 0.062 nan 8.210 nan 0.000 0.461 656 P HA -0.015 nan 4.420 nan 0.000 0.267 656 P C -0.070 177.222 177.300 -0.012 0.000 1.201 656 P CA -0.126 62.970 63.100 -0.007 0.000 0.775 656 P CB 0.577 32.275 31.700 -0.002 0.000 0.854 657 A N 2.869 125.682 122.820 -0.012 0.000 2.567 657 A HA -0.019 4.303 4.320 0.002 0.000 0.240 657 A C 0.913 178.491 177.584 -0.009 0.000 1.053 657 A CA 0.798 52.828 52.037 -0.010 0.000 0.755 657 A CB -1.381 17.615 19.000 -0.007 0.000 0.978 657 A HN 0.829 nan 8.150 nan 0.000 0.507 658 N N -0.832 117.861 118.700 -0.010 0.000 2.900 658 N HA -0.222 4.519 4.740 0.002 0.000 0.240 658 N C 0.373 175.875 175.510 -0.013 0.000 0.953 658 N CA 0.540 53.585 53.050 -0.008 0.000 0.950 658 N CB -1.511 36.975 38.487 -0.001 0.000 1.102 658 N HN 1.221 nan 8.380 nan 0.000 0.593 659 A N 0.088 122.898 122.820 -0.016 0.000 2.483 659 A HA 0.367 4.688 4.320 0.002 0.000 0.238 659 A C 1.205 178.774 177.584 -0.025 0.000 1.070 659 A CA 1.023 53.051 52.037 -0.015 0.000 0.770 659 A CB 0.493 19.486 19.000 -0.012 0.000 1.008 659 A HN 0.231 nan 8.150 nan 0.000 0.497 660 T N 0.625 115.167 114.554 -0.019 0.000 2.964 660 T HA 0.122 4.474 4.350 0.002 0.000 0.249 660 T C 0.541 175.231 174.700 -0.016 0.000 1.000 660 T CA 0.361 62.447 62.100 -0.024 0.000 0.992 660 T CB -0.123 68.735 68.868 -0.016 0.000 1.087 660 T HN 0.712 nan 8.240 nan 0.000 0.489 661 N N 1.170 119.867 118.700 -0.005 0.000 2.392 661 N HA 0.463 5.204 4.740 0.002 0.000 0.283 661 N C -1.470 174.051 175.510 0.017 0.000 1.003 661 N CA -0.263 52.791 53.050 0.007 0.000 0.892 661 N CB 1.480 39.969 38.487 0.004 0.000 1.193 661 N HN -0.155 nan 8.380 nan 0.000 0.487 662 V N 5.682 125.621 119.914 0.042 0.000 2.340 662 V HA 0.471 4.592 4.120 0.002 0.000 0.277 662 V C -2.282 173.855 176.094 0.073 0.000 1.017 662 V CA -1.216 61.112 62.300 0.048 0.000 0.820 662 V CB 1.232 33.072 31.823 0.029 0.000 1.028 662 V HN 0.669 nan 8.190 nan 0.000 0.436 663 P HA 0.591 nan 4.420 nan 0.000 0.300 663 P C -0.792 176.498 177.300 -0.015 0.000 1.326 663 P CA -0.393 62.716 63.100 0.016 0.000 0.844 663 P CB 2.201 33.907 31.700 0.010 0.000 0.992 664 I N -0.784 119.758 120.570 -0.046 0.000 2.740 664 I HA 0.761 4.932 4.170 0.002 0.000 0.303 664 I C -0.917 175.193 176.117 -0.011 0.000 1.044 664 I CA -0.962 60.265 61.300 -0.121 0.000 1.064 664 I CB 2.547 40.278 38.000 -0.448 0.000 1.249 664 I HN 0.175 nan 8.210 nan 0.000 0.433 665 S N 5.453 121.185 115.700 0.054 0.000 2.614 665 S HA 0.640 5.111 4.470 0.002 0.000 0.288 665 S C -0.926 173.761 174.600 0.146 0.000 1.137 665 S CA -0.647 57.608 58.200 0.091 0.000 0.992 665 S CB 1.237 64.481 63.200 0.073 0.000 1.026 665 S HN 0.498 nan 8.310 nan 0.000 0.486 666 I N 6.724 127.396 120.570 0.171 0.000 2.330 666 I HA 0.387 4.558 4.170 0.002 0.000 0.289 666 I C -2.045 174.162 176.117 0.149 0.000 1.001 666 I CA -2.613 58.797 61.300 0.184 0.000 1.193 666 I CB 1.005 39.181 38.000 0.295 0.000 1.345 666 I HN 0.447 nan 8.210 nan 0.000 0.461 667 P HA -0.020 nan 4.420 nan 0.000 0.269 667 P C 0.186 177.528 177.300 0.070 0.000 1.209 667 P CA -0.092 63.048 63.100 0.067 0.000 0.776 667 P CB 0.666 32.384 31.700 0.030 0.000 0.876 668 S N 2.555 118.313 115.700 0.097 0.000 2.931 668 S HA -0.065 4.407 4.470 0.002 0.000 0.342 668 S C 0.465 175.085 174.600 0.033 0.000 1.220 668 S CA 0.317 58.591 58.200 0.123 0.000 1.045 668 S CB -0.580 62.667 63.200 0.078 0.000 0.758 668 S HN 0.679 nan 8.310 nan 0.000 0.508 669 R N 2.886 123.412 120.500 0.043 0.000 2.844 669 R HA 0.510 4.852 4.340 0.002 0.000 0.264 669 R C -1.207 174.972 176.300 -0.201 0.000 1.077 669 R CA -1.149 54.824 56.100 -0.211 0.000 0.953 669 R CB 0.327 30.292 30.300 -0.559 0.000 1.272 669 R HN 0.501 nan 8.270 nan 0.000 0.447 670 N N -0.614 117.884 118.700 -0.338 0.000 2.499 670 N HA 0.234 4.976 4.740 0.002 0.000 0.281 670 N C -0.991 174.276 175.510 -0.406 0.000 1.098 670 N CA -0.536 52.410 53.050 -0.173 0.000 0.979 670 N CB 0.636 39.060 38.487 -0.105 0.000 1.121 670 N HN 0.560 nan 8.380 nan 0.000 0.466 671 W N 2.330 123.657 121.300 0.045 0.000 2.862 671 W HA 0.488 5.149 4.660 0.002 0.000 0.376 671 W C 0.538 177.115 176.519 0.096 0.000 1.028 671 W CA -0.535 56.799 57.345 -0.018 0.000 1.757 671 W CB -0.242 29.141 29.460 -0.129 0.000 1.128 671 W HN 0.499 nan 8.180 nan 0.000 0.566 672 A N 1.067 124.055 122.820 0.280 0.000 2.565 672 A HA 0.367 4.689 4.320 0.002 0.000 0.237 672 A C 1.568 179.296 177.584 0.240 0.000 1.053 672 A CA 1.262 53.451 52.037 0.252 0.000 0.755 672 A CB -0.084 19.015 19.000 0.166 0.000 0.980 672 A HN 1.181 nan 8.150 nan 0.000 0.506 673 A N 1.214 124.188 122.820 0.257 0.000 3.396 673 A HA -0.196 4.126 4.320 0.002 0.000 0.267 673 A C 0.388 178.199 177.584 0.378 0.000 1.139 673 A CA 0.938 53.147 52.037 0.287 0.000 1.115 673 A CB -2.596 16.532 19.000 0.214 0.000 1.133 673 A HN 2.039 nan 8.150 nan 0.000 0.920 674 F N 1.422 121.471 119.950 0.164 0.000 2.608 674 F HA 0.383 4.911 4.527 0.002 0.000 0.380 674 F C 1.305 177.117 175.800 0.020 0.000 1.083 674 F CA 0.600 58.620 58.000 0.034 0.000 1.266 674 F CB 0.370 39.286 39.000 -0.140 0.000 1.076 674 F HN 0.256 nan 8.300 nan 0.000 0.574 675 R N 3.149 123.250 120.500 -0.665 0.000 2.189 675 R HA 0.413 4.755 4.340 0.002 0.000 0.203 675 R C 0.774 176.583 176.300 -0.819 0.000 1.012 675 R CA 0.313 56.071 56.100 -0.570 0.000 1.015 675 R CB 0.056 30.076 30.300 -0.466 0.000 0.938 675 R HN 0.915 nan 8.270 nan 0.000 0.472 676 G N -0.699 107.081 108.800 -1.700 0.000 2.340 676 G HA2 -0.007 3.954 3.960 0.002 0.000 0.282 676 G HA3 -0.007 3.954 3.960 0.002 0.000 0.282 676 G C -1.838 172.529 174.900 -0.888 0.000 1.312 676 G CA -0.976 43.387 45.100 -1.229 0.000 0.942 676 G HN 0.025 nan 8.290 nan 0.000 0.495 677 W N -0.042 121.151 121.300 -0.178 0.000 2.781 677 W HA 0.756 5.417 4.660 0.002 0.000 0.345 677 W C 0.119 176.585 176.519 -0.089 0.000 1.085 677 W CA -0.266 57.019 57.345 -0.100 0.000 1.198 677 W CB 2.435 31.886 29.460 -0.016 0.000 1.423 677 W HN 1.283 nan 8.180 nan 0.000 0.532 678 A N 2.739 125.635 122.820 0.126 0.000 2.486 678 A HA 0.939 5.260 4.320 0.002 0.000 0.300 678 A C -1.656 175.906 177.584 -0.036 0.000 1.048 678 A CA -0.552 51.445 52.037 -0.066 0.000 0.696 678 A CB 1.672 20.541 19.000 -0.219 0.000 1.278 678 A HN 0.671 nan 8.150 nan 0.000 0.405 679 F N -0.910 118.894 119.950 -0.243 0.000 2.719 679 F HA 0.878 5.406 4.527 0.002 0.000 0.309 679 F C -0.304 175.280 175.800 -0.360 0.000 1.138 679 F CA -0.385 57.422 58.000 -0.321 0.000 0.943 679 F CB 1.140 40.021 39.000 -0.199 0.000 1.304 679 F HN 0.711 nan 8.300 nan 0.000 0.445 680 T N -0.432 114.084 114.554 -0.064 0.000 2.626 680 T HA 0.607 4.958 4.350 0.002 0.000 0.299 680 T C -1.712 173.279 174.700 0.486 0.000 1.181 680 T CA -1.191 60.939 62.100 0.050 0.000 1.053 680 T CB 1.997 70.687 68.868 -0.297 0.000 1.566 680 T HN 0.949 nan 8.240 nan 0.000 0.486 681 R N 0.115 120.849 120.500 0.389 0.000 2.575 681 R HA 0.742 5.084 4.340 0.002 0.000 0.293 681 R C -1.767 174.610 176.300 0.129 0.000 0.983 681 R CA -0.684 55.553 56.100 0.227 0.000 0.887 681 R CB 1.010 31.315 30.300 0.009 0.000 1.184 681 R HN 0.613 nan 8.270 nan 0.000 0.445 682 L N 2.677 123.975 121.223 0.124 0.000 2.323 682 L HA 0.579 4.920 4.340 0.002 0.000 0.265 682 L C -0.338 176.550 176.870 0.031 0.000 1.012 682 L CA -1.171 53.730 54.840 0.102 0.000 0.820 682 L CB 2.210 44.373 42.059 0.172 0.000 1.334 682 L HN 0.462 nan 8.230 nan 0.000 0.427 683 K N 0.030 120.445 120.400 0.026 0.000 2.201 683 K HA 0.269 4.591 4.320 0.002 0.000 0.278 683 K C 0.536 177.128 176.600 -0.013 0.000 1.027 683 K CA -0.396 55.893 56.287 0.004 0.000 0.909 683 K CB 1.757 34.267 32.500 0.017 0.000 1.062 683 K HN 0.559 nan 8.250 nan 0.000 0.465 684 T N 2.174 116.717 114.554 -0.019 0.000 2.720 684 T HA -0.216 4.135 4.350 0.002 0.000 0.268 684 T C 2.290 176.979 174.700 -0.018 0.000 1.037 684 T CA 2.146 64.234 62.100 -0.021 0.000 1.144 684 T CB -0.104 68.751 68.868 -0.021 0.000 0.864 684 T HN 0.754 nan 8.240 nan 0.000 0.444 685 K N 1.576 121.943 120.400 -0.055 0.000 2.211 685 K HA -0.103 4.218 4.320 0.002 0.000 0.204 685 K C 1.701 178.164 176.600 -0.229 0.000 1.047 685 K CA 1.531 57.758 56.287 -0.100 0.000 0.935 685 K CB -0.714 31.707 32.500 -0.132 0.000 0.728 685 K HN 0.678 nan 8.250 nan 0.000 0.452 686 E N 0.022 120.056 120.200 -0.276 0.000 2.444 686 E HA 0.070 4.421 4.350 0.002 0.000 0.191 686 E C -0.480 176.177 176.600 0.095 0.000 1.041 686 E CA -0.054 56.120 56.400 -0.378 0.000 0.883 686 E CB 0.676 30.160 29.700 -0.360 0.000 1.024 686 E HN 0.315 nan 8.360 nan 0.000 0.470 687 T N 3.836 118.454 114.554 0.107 0.000 2.912 687 T HA 0.217 4.568 4.350 0.002 0.000 0.326 687 T C -2.418 172.237 174.700 -0.074 0.000 1.080 687 T CA -1.495 60.618 62.100 0.022 0.000 1.000 687 T CB 1.349 70.170 68.868 -0.078 0.000 1.008 687 T HN 0.006 nan 8.240 nan 0.000 0.473 688 P HA 0.120 nan 4.420 nan 0.000 0.269 688 P C -0.097 176.986 177.300 -0.363 0.000 1.215 688 P CA -0.286 62.415 63.100 -0.665 0.000 0.780 688 P CB 0.762 31.734 31.700 -1.213 0.000 0.898 689 S N 2.445 117.981 115.700 -0.273 0.000 2.455 689 S HA 0.285 4.756 4.470 0.002 0.000 0.278 689 S C 0.100 174.593 174.600 -0.178 0.000 1.216 689 S CA -0.612 57.478 58.200 -0.185 0.000 1.055 689 S CB -0.912 62.228 63.200 -0.100 0.000 0.939 689 S HN 0.261 nan 8.310 nan 0.000 0.494 690 L N 4.318 125.448 121.223 -0.155 0.000 2.365 690 L HA 0.700 5.041 4.340 0.002 0.000 0.267 690 L C 1.618 178.468 176.870 -0.033 0.000 1.033 690 L CA -0.129 54.665 54.840 -0.077 0.000 0.802 690 L CB 1.027 43.061 42.059 -0.042 0.000 1.267 690 L HN 0.925 nan 8.230 nan 0.000 0.457 691 G N 0.276 109.088 108.800 0.020 0.000 2.611 691 G HA2 -0.272 3.689 3.960 0.002 0.000 0.208 691 G HA3 -0.272 3.689 3.960 0.002 0.000 0.208 691 G C 0.212 175.119 174.900 0.011 0.000 1.201 691 G CA 0.090 45.200 45.100 0.017 0.000 0.739 691 G HN 0.759 nan 8.290 nan 0.000 0.528 692 S N 1.416 117.113 115.700 -0.006 0.000 2.565 692 S HA 0.555 5.027 4.470 0.002 0.000 0.274 692 S C 1.523 176.127 174.600 0.007 0.000 1.309 692 S CA 0.750 58.941 58.200 -0.015 0.000 1.043 692 S CB 1.594 64.771 63.200 -0.038 0.000 0.939 692 S HN 1.648 nan 8.310 nan 0.000 0.504 693 G N 0.411 109.210 108.800 -0.002 0.000 2.535 693 G HA2 0.025 3.987 3.960 0.002 0.000 0.218 693 G HA3 0.025 3.987 3.960 0.002 0.000 0.218 693 G C -0.153 174.648 174.900 -0.166 0.000 1.122 693 G CA 0.504 45.636 45.100 0.053 0.000 0.769 693 G HN 0.835 nan 8.290 nan 0.000 0.549 694 Y N -0.402 119.631 120.300 -0.444 0.000 2.390 694 Y HA 0.387 4.938 4.550 0.002 0.000 0.324 694 Y C -2.000 173.747 175.900 -0.255 0.000 1.151 694 Y CA -1.442 56.388 58.100 -0.449 0.000 1.053 694 Y CB 1.948 39.912 38.460 -0.826 0.000 1.277 694 Y HN -0.051 nan 8.280 nan 0.000 0.432 695 D N 8.363 128.387 120.400 -0.625 0.000 2.443 695 D HA 0.306 4.947 4.640 0.002 0.000 0.221 695 D C -1.764 174.192 176.300 -0.574 0.000 1.097 695 D CA -2.510 51.226 54.000 -0.441 0.000 0.865 695 D CB 1.756 42.376 40.800 -0.300 0.000 1.034 695 D HN 0.363 nan 8.370 nan 0.000 0.511 696 P HA -0.153 nan 4.420 nan 0.000 0.220 696 P C 0.557 177.632 177.300 -0.376 0.000 1.148 696 P CA 1.002 63.849 63.100 -0.421 0.000 0.803 696 P CB 0.003 31.386 31.700 -0.529 0.000 0.782 697 Y N -2.498 117.797 120.300 -0.008 0.000 2.493 697 Y HA 0.187 4.738 4.550 0.002 0.000 0.275 697 Y C 0.918 176.862 175.900 0.073 0.000 1.183 697 Y CA -0.802 57.313 58.100 0.024 0.000 1.258 697 Y CB -0.622 37.849 38.460 0.018 0.000 1.108 697 Y HN -0.097 nan 8.280 nan 0.000 0.521 698 Y N 2.395 122.682 120.300 -0.022 0.000 2.595 698 Y HA 0.163 4.715 4.550 0.002 0.000 0.347 698 Y C 0.505 176.419 175.900 0.022 0.000 1.025 698 Y CA -0.704 57.392 58.100 -0.006 0.000 1.295 698 Y CB 0.465 38.876 38.460 -0.082 0.000 1.147 698 Y HN 0.086 nan 8.280 nan 0.000 0.515 699 T N 2.732 117.194 114.554 -0.154 0.000 3.327 699 T HA 0.231 4.583 4.350 0.002 0.000 0.244 699 T C -1.108 173.496 174.700 -0.160 0.000 1.074 699 T CA -0.446 61.574 62.100 -0.134 0.000 1.156 699 T CB -0.595 68.255 68.868 -0.030 0.000 1.087 699 T HN 0.529 nan 8.240 nan 0.000 0.575 700 Y N 0.974 120.912 120.300 -0.603 0.000 2.513 700 Y HA 0.553 5.104 4.550 0.002 0.000 0.340 700 Y C -0.092 175.552 175.900 -0.426 0.000 1.055 700 Y CA -0.894 56.927 58.100 -0.465 0.000 1.020 700 Y CB 2.117 40.310 38.460 -0.445 0.000 1.301 700 Y HN 0.208 nan 8.280 nan 0.000 0.453 701 S N 1.903 117.071 115.700 -0.887 0.000 2.952 701 S HA 0.468 4.940 4.470 0.002 0.000 0.251 701 S C 0.385 174.600 174.600 -0.642 0.000 1.021 701 S CA -0.012 57.839 58.200 -0.582 0.000 1.067 701 S CB -0.005 63.030 63.200 -0.274 0.000 1.002 701 S HN 0.988 nan 8.310 nan 0.000 0.574 702 G N 2.120 110.118 108.800 -1.336 0.000 2.531 702 G HA2 0.496 4.457 3.960 0.002 0.000 0.253 702 G HA3 0.496 4.457 3.960 0.002 0.000 0.253 702 G C 0.099 174.978 174.900 -0.034 0.000 1.439 702 G CA -0.127 44.678 45.100 -0.493 0.000 1.056 702 G HN 0.726 nan 8.290 nan 0.000 0.555 703 S N -1.281 114.546 115.700 0.212 0.000 2.585 703 S HA 0.379 4.850 4.470 0.002 0.000 0.273 703 S C -0.060 174.744 174.600 0.340 0.000 1.339 703 S CA -0.388 57.938 58.200 0.211 0.000 1.028 703 S CB 0.754 64.043 63.200 0.148 0.000 0.906 703 S HN 0.380 nan 8.310 nan 0.000 0.528 704 I N 3.251 123.960 120.570 0.232 0.000 2.503 704 I HA 0.276 4.448 4.170 0.002 0.000 0.277 704 I C -1.975 174.213 176.117 0.118 0.000 1.078 704 I CA -2.318 59.136 61.300 0.257 0.000 1.184 704 I CB 1.377 39.531 38.000 0.256 0.000 1.353 704 I HN 0.455 nan 8.210 nan 0.000 0.490 705 P HA -0.286 nan 4.420 nan 0.000 0.218 705 P C 1.570 178.784 177.300 -0.142 0.000 1.154 705 P CA 1.680 64.700 63.100 -0.133 0.000 0.872 705 P CB 0.027 31.801 31.700 0.123 0.000 0.790 706 Y N -0.251 120.080 120.300 0.051 0.000 2.207 706 Y HA -0.193 4.358 4.550 0.002 0.000 0.287 706 Y C 1.854 177.783 175.900 0.047 0.000 1.156 706 Y CA 1.565 59.713 58.100 0.081 0.000 1.182 706 Y CB -0.564 37.854 38.460 -0.070 0.000 0.979 706 Y HN -0.126 nan 8.280 nan 0.000 0.521 707 L N -0.823 120.407 121.223 0.012 0.000 2.388 707 L HA 0.052 4.393 4.340 0.002 0.000 0.209 707 L C 1.540 178.356 176.870 -0.089 0.000 1.061 707 L CA 0.883 55.701 54.840 -0.036 0.000 0.834 707 L CB -0.238 41.882 42.059 0.101 0.000 1.029 707 L HN 0.181 nan 8.230 nan 0.000 0.473 708 D N -0.908 119.414 120.400 -0.129 0.000 2.360 708 D HA 0.097 4.739 4.640 0.002 0.000 0.210 708 D C 1.433 177.534 176.300 -0.332 0.000 1.047 708 D CA 0.691 54.591 54.000 -0.167 0.000 0.854 708 D CB 0.406 41.142 40.800 -0.107 0.000 0.936 708 D HN 0.176 nan 8.370 nan 0.000 0.514 709 G N 0.464 108.897 108.800 -0.610 0.000 2.143 709 G HA2 -0.280 3.682 3.960 0.002 0.000 0.249 709 G HA3 -0.280 3.682 3.960 0.002 0.000 0.249 709 G C 0.672 175.072 174.900 -0.833 0.000 0.981 709 G CA 0.524 45.053 45.100 -0.953 0.000 0.665 709 G HN 0.684 nan 8.290 nan 0.000 0.528 710 T N -0.389 113.725 114.554 -0.734 0.000 3.820 710 T HA 0.556 4.907 4.350 0.002 0.000 0.224 710 T C 0.635 175.271 174.700 -0.106 0.000 0.869 710 T CA -0.551 61.117 62.100 -0.720 0.000 0.932 710 T CB -0.766 67.454 68.868 -1.081 0.000 1.259 710 T HN 0.309 nan 8.240 nan 0.000 0.676 711 F N 2.395 122.471 119.950 0.211 0.000 2.518 711 F HA 0.303 4.832 4.527 0.002 0.000 0.359 711 F C 1.073 177.158 175.800 0.475 0.000 1.118 711 F CA -0.701 57.458 58.000 0.265 0.000 1.287 711 F CB 0.396 39.464 39.000 0.112 0.000 1.132 711 F HN 0.517 nan 8.300 nan 0.000 0.587 712 Y N -0.450 120.134 120.300 0.474 0.000 3.024 712 Y HA 0.435 4.987 4.550 0.002 0.000 0.283 712 Y C -0.414 175.721 175.900 0.391 0.000 1.040 712 Y CA -0.479 57.869 58.100 0.412 0.000 1.283 712 Y CB -0.876 37.820 38.460 0.393 0.000 1.367 712 Y HN 0.420 nan 8.280 nan 0.000 0.589 713 L N 0.931 122.140 121.223 -0.025 0.000 3.014 713 L HA 0.319 4.660 4.340 0.002 0.000 0.263 713 L C 0.980 177.844 176.870 -0.010 0.000 1.207 713 L CA -0.078 54.682 54.840 -0.133 0.000 1.017 713 L CB 0.111 41.996 42.059 -0.291 0.000 1.360 713 L HN 0.212 nan 8.230 nan 0.000 0.560 714 N N 0.606 119.428 118.700 0.202 0.000 2.364 714 N HA -0.176 4.566 4.740 0.002 0.000 0.183 714 N C 1.674 177.616 175.510 0.720 0.000 1.022 714 N CA 1.129 54.390 53.050 0.352 0.000 0.883 714 N CB -0.121 38.193 38.487 -0.289 0.000 0.965 714 N HN 0.589 nan 8.380 nan 0.000 0.438 715 H N -0.221 119.072 119.070 0.372 0.000 2.559 715 H HA 0.074 4.632 4.556 0.002 0.000 0.273 715 H C 1.037 176.408 175.328 0.072 0.000 1.000 715 H CA 1.230 57.333 56.048 0.092 0.000 1.195 715 H CB -0.628 28.983 29.762 -0.252 0.000 1.368 715 H HN 0.134 nan 8.280 nan 0.000 0.592 716 T N -2.429 111.971 114.554 -0.256 0.000 3.144 716 T HA 0.157 4.508 4.350 0.002 0.000 0.249 716 T C 0.120 174.715 174.700 -0.176 0.000 1.089 716 T CA -0.551 61.395 62.100 -0.257 0.000 0.989 716 T CB -0.738 67.886 68.868 -0.406 0.000 0.992 716 T HN 0.013 nan 8.240 nan 0.000 0.540 717 F N 1.414 121.422 119.950 0.097 0.000 2.394 717 F HA 0.596 5.124 4.527 0.002 0.000 0.340 717 F C 1.369 177.151 175.800 -0.029 0.000 1.105 717 F CA -1.141 56.909 58.000 0.083 0.000 1.124 717 F CB 1.817 40.931 39.000 0.189 0.000 1.145 717 F HN -0.103 nan 8.300 nan 0.000 0.505 718 K N 2.236 122.693 120.400 0.094 0.000 2.161 718 K HA 0.186 4.508 4.320 0.002 0.000 0.205 718 K C -0.509 176.049 176.600 -0.071 0.000 1.035 718 K CA 0.722 57.013 56.287 0.006 0.000 0.970 718 K CB 0.369 32.868 32.500 -0.003 0.000 0.866 718 K HN 0.647 nan 8.250 nan 0.000 0.461 719 K N -1.305 119.055 120.400 -0.067 0.000 2.579 719 K HA 0.479 4.800 4.320 0.002 0.000 0.284 719 K C -1.571 174.910 176.600 -0.197 0.000 0.990 719 K CA -1.118 55.081 56.287 -0.146 0.000 0.880 719 K CB 2.138 34.580 32.500 -0.098 0.000 1.488 719 K HN -0.168 nan 8.250 nan 0.000 0.425 720 V N 0.104 119.857 119.914 -0.268 0.000 2.686 720 V HA 0.737 4.858 4.120 0.002 0.000 0.306 720 V C -1.026 174.896 176.094 -0.287 0.000 1.065 720 V CA -0.739 61.256 62.300 -0.508 0.000 0.894 720 V CB 1.520 32.869 31.823 -0.791 0.000 1.004 720 V HN 0.967 nan 8.190 nan 0.000 0.424 721 A N 5.725 128.333 122.820 -0.354 0.000 2.318 721 A HA 0.924 5.245 4.320 0.002 0.000 0.317 721 A C -0.831 176.601 177.584 -0.253 0.000 1.159 721 A CA -0.483 51.444 52.037 -0.184 0.000 0.799 721 A CB 0.765 19.682 19.000 -0.137 0.000 1.194 721 A HN 0.784 nan 8.150 nan 0.000 0.479 722 I N 2.038 122.534 120.570 -0.123 0.000 2.433 722 I HA 0.471 4.642 4.170 0.002 0.000 0.292 722 I C -0.463 175.625 176.117 -0.048 0.000 1.001 722 I CA -0.210 60.976 61.300 -0.190 0.000 1.119 722 I CB 2.418 40.303 38.000 -0.193 0.000 1.289 722 I HN 0.582 nan 8.210 nan 0.000 0.438 723 T N 5.601 120.060 114.554 -0.157 0.000 2.928 723 T HA 0.496 4.848 4.350 0.002 0.000 0.296 723 T C -0.663 173.953 174.700 -0.140 0.000 1.000 723 T CA -0.480 61.594 62.100 -0.043 0.000 0.989 723 T CB 0.964 69.827 68.868 -0.008 0.000 1.005 723 T HN 0.087 nan 8.240 nan 0.000 0.442 724 F N 2.049 122.061 119.950 0.104 0.000 2.399 724 F HA 0.310 4.839 4.527 0.002 0.000 0.334 724 F C 0.950 176.822 175.800 0.121 0.000 1.097 724 F CA -0.409 57.643 58.000 0.086 0.000 1.076 724 F CB 0.826 39.891 39.000 0.108 0.000 1.162 724 F HN 0.586 nan 8.300 nan 0.000 0.495 725 D N 1.580 122.175 120.400 0.325 0.000 2.702 725 D HA -0.237 4.404 4.640 0.002 0.000 0.233 725 D C 0.721 177.110 176.300 0.149 0.000 1.164 725 D CA 1.244 55.379 54.000 0.225 0.000 0.638 725 D CB -1.300 39.643 40.800 0.238 0.000 1.041 725 D HN 0.796 nan 8.370 nan 0.000 0.422 726 S N -2.556 113.213 115.700 0.115 0.000 3.491 726 S HA -0.288 4.184 4.470 0.002 0.000 0.371 726 S C 0.932 175.579 174.600 0.079 0.000 0.980 726 S CA 1.706 59.952 58.200 0.078 0.000 1.204 726 S CB -1.838 61.398 63.200 0.061 0.000 0.915 726 S HN 1.213 nan 8.310 nan 0.000 0.482 727 S N -3.228 112.532 115.700 0.101 0.000 1.773 727 S HA 0.170 4.641 4.470 0.002 0.000 0.203 727 S C -0.106 174.561 174.600 0.112 0.000 0.762 727 S CA 0.284 58.538 58.200 0.090 0.000 1.503 727 S CB -0.117 63.132 63.200 0.081 0.000 0.926 727 S HN 1.076 nan 8.310 nan 0.000 0.380 728 V N 3.560 123.573 119.914 0.166 0.000 2.368 728 V HA 0.643 4.765 4.120 0.002 0.000 0.266 728 V C 0.424 176.673 176.094 0.258 0.000 1.045 728 V CA -0.152 62.270 62.300 0.203 0.000 0.899 728 V CB 0.929 32.899 31.823 0.246 0.000 1.006 728 V HN 0.551 nan 8.190 nan 0.000 0.470 729 S N 5.160 120.977 115.700 0.195 0.000 2.548 729 S HA 0.418 4.889 4.470 0.002 0.000 0.277 729 S C -0.898 173.888 174.600 0.310 0.000 1.315 729 S CA -0.428 57.893 58.200 0.202 0.000 1.050 729 S CB 0.360 63.616 63.200 0.094 0.000 0.918 729 S HN 0.663 nan 8.310 nan 0.000 0.497 730 W N 6.468 127.905 121.300 0.227 0.000 2.702 730 W HA 0.517 5.178 4.660 0.002 0.000 0.331 730 W C -1.964 174.744 176.519 0.315 0.000 1.049 730 W CA -2.147 55.398 57.345 0.332 0.000 1.230 730 W CB 1.654 31.469 29.460 0.592 0.000 1.408 730 W HN 0.513 nan 8.180 nan 0.000 0.492 731 P HA 0.095 nan 4.420 nan 0.000 0.241 731 P C 0.915 177.928 177.300 -0.478 0.000 1.191 731 P CA 1.428 63.726 63.100 -1.336 0.000 0.771 731 P CB 0.317 31.223 31.700 -1.323 0.000 0.929 732 G N 1.888 110.549 108.800 -0.232 0.000 2.581 732 G HA2 -0.365 3.597 3.960 0.002 0.000 0.291 732 G HA3 -0.365 3.597 3.960 0.002 0.000 0.291 732 G C 0.379 175.192 174.900 -0.145 0.000 1.277 732 G CA 0.340 45.370 45.100 -0.117 0.000 0.959 732 G HN 0.326 nan 8.290 nan 0.000 0.554 733 N N 0.124 118.769 118.700 -0.091 0.000 2.681 733 N HA -0.211 4.530 4.740 0.002 0.000 0.250 733 N C 0.636 176.093 175.510 -0.088 0.000 1.133 733 N CA 2.508 55.505 53.050 -0.088 0.000 0.732 733 N CB -0.871 37.550 38.487 -0.111 0.000 1.107 733 N HN 1.570 nan 8.380 nan 0.000 0.559 734 D N -1.394 118.955 120.400 -0.085 0.000 2.751 734 D HA -0.223 4.419 4.640 0.002 0.000 0.233 734 D C 1.159 177.407 176.300 -0.086 0.000 1.149 734 D CA 1.162 55.116 54.000 -0.076 0.000 0.682 734 D CB -0.177 40.592 40.800 -0.052 0.000 1.068 734 D HN 0.396 nan 8.370 nan 0.000 0.429 735 R N -0.526 119.906 120.500 -0.114 0.000 2.062 735 R HA 0.120 4.461 4.340 0.002 0.000 0.226 735 R C 1.101 177.351 176.300 -0.083 0.000 1.125 735 R CA 0.575 56.617 56.100 -0.097 0.000 0.966 735 R CB -0.085 30.141 30.300 -0.124 0.000 0.861 735 R HN 0.329 nan 8.270 nan 0.000 0.433 736 L N 1.259 122.399 121.223 -0.138 0.000 2.421 736 L HA 0.167 4.508 4.340 0.002 0.000 0.263 736 L C 1.933 178.713 176.870 -0.151 0.000 1.122 736 L CA -0.434 54.309 54.840 -0.161 0.000 0.804 736 L CB 0.604 42.497 42.059 -0.277 0.000 1.150 736 L HN 0.004 nan 8.230 nan 0.000 0.457 737 L N 0.601 121.710 121.223 -0.189 0.000 2.127 737 L HA -0.125 4.217 4.340 0.002 0.000 0.211 737 L C 1.100 177.902 176.870 -0.113 0.000 1.089 737 L CA 1.369 56.065 54.840 -0.240 0.000 0.757 737 L CB -0.575 41.130 42.059 -0.591 0.000 0.899 737 L HN 0.801 nan 8.230 nan 0.000 0.434 738 T N -4.081 110.411 114.554 -0.104 0.000 3.250 738 T HA 0.271 4.623 4.350 0.002 0.000 0.391 738 T C -1.526 173.107 174.700 -0.113 0.000 1.502 738 T CA -1.873 60.201 62.100 -0.043 0.000 1.320 738 T CB 0.914 69.781 68.868 -0.003 0.000 1.102 738 T HN -0.057 nan 8.240 nan 0.000 0.610 739 P HA -0.184 nan 4.420 nan 0.000 0.218 739 P C 0.838 178.055 177.300 -0.139 0.000 1.150 739 P CA 1.211 64.232 63.100 -0.132 0.000 0.841 739 P CB 0.164 31.814 31.700 -0.084 0.000 0.784 740 N N 0.151 118.793 118.700 -0.097 0.000 2.398 740 N HA 0.004 4.745 4.740 0.002 0.000 0.188 740 N C 0.756 176.217 175.510 -0.081 0.000 1.122 740 N CA 0.537 53.544 53.050 -0.072 0.000 0.866 740 N CB 0.345 38.809 38.487 -0.038 0.000 0.970 740 N HN 0.575 nan 8.380 nan 0.000 0.462 741 E N -1.193 118.924 120.200 -0.139 0.000 2.422 741 E HA 0.209 4.560 4.350 0.002 0.000 0.280 741 E C -1.618 174.866 176.600 -0.193 0.000 1.091 741 E CA -0.755 55.583 56.400 -0.103 0.000 0.849 741 E CB 0.289 29.952 29.700 -0.063 0.000 1.353 741 E HN -0.243 nan 8.360 nan 0.000 0.449 742 F N 1.372 121.254 119.950 -0.113 0.000 2.350 742 F HA 0.283 4.811 4.527 0.002 0.000 0.365 742 F C 0.199 175.888 175.800 -0.184 0.000 1.122 742 F CA -0.386 57.561 58.000 -0.088 0.000 1.139 742 F CB 1.256 40.236 39.000 -0.033 0.000 1.220 742 F HN 0.239 nan 8.300 nan 0.000 0.499 743 E N 4.667 124.856 120.200 -0.019 0.000 2.130 743 E HA 0.214 4.565 4.350 0.002 0.000 0.284 743 E C 0.780 177.270 176.600 -0.182 0.000 1.018 743 E CA -0.132 56.218 56.400 -0.084 0.000 0.817 743 E CB 1.515 31.204 29.700 -0.019 0.000 1.078 743 E HN 0.688 nan 8.360 nan 0.000 0.396 744 I N 2.838 123.154 120.570 -0.423 0.000 2.333 744 I HA -0.142 4.030 4.170 0.002 0.000 0.246 744 I C 0.841 176.813 176.117 -0.242 0.000 1.106 744 I CA 1.088 61.914 61.300 -0.791 0.000 1.411 744 I CB 0.063 37.400 38.000 -1.105 0.000 1.082 744 I HN 0.408 nan 8.210 nan 0.000 0.420 745 K N 0.452 120.823 120.400 -0.048 0.000 2.532 745 K HA 0.663 4.984 4.320 0.002 0.000 0.265 745 K C -0.980 175.675 176.600 0.092 0.000 0.948 745 K CA -0.905 55.456 56.287 0.123 0.000 0.842 745 K CB 2.107 34.775 32.500 0.281 0.000 1.392 745 K HN -0.156 nan 8.250 nan 0.000 0.436 746 R N 0.424 120.996 120.500 0.120 0.000 2.740 746 R HA 0.507 4.848 4.340 0.002 0.000 0.282 746 R C -0.814 175.540 176.300 0.091 0.000 0.969 746 R CA -0.728 55.427 56.100 0.091 0.000 0.918 746 R CB 2.112 32.469 30.300 0.094 0.000 1.175 746 R HN 0.917 nan 8.270 nan 0.000 0.464 747 S N 1.684 117.422 115.700 0.064 0.000 2.423 747 S HA 0.365 4.837 4.470 0.002 0.000 0.317 747 S C 1.202 175.827 174.600 0.043 0.000 1.065 747 S CA -0.630 57.605 58.200 0.058 0.000 1.111 747 S CB 0.454 63.681 63.200 0.045 0.000 0.968 747 S HN 0.509 nan 8.310 nan 0.000 0.474 748 V N 1.738 121.680 119.914 0.048 0.000 0.575 748 V HA -0.536 3.585 4.120 0.002 0.000 0.092 748 V C 2.538 178.640 176.094 0.013 0.000 1.949 748 V CA 3.296 65.615 62.300 0.031 0.000 3.444 748 V CB -2.088 29.748 31.823 0.022 0.000 0.743 748 V HN 0.945 nan 8.190 nan 0.000 0.767 749 D N -0.117 120.286 120.400 0.006 0.000 2.203 749 D HA 0.034 4.676 4.640 0.002 0.000 0.199 749 D C 1.657 177.939 176.300 -0.030 0.000 0.997 749 D CA 2.032 56.025 54.000 -0.012 0.000 0.863 749 D CB -0.523 40.272 40.800 -0.010 0.000 0.928 749 D HN 1.220 nan 8.370 nan 0.000 0.458 750 G N -1.088 107.701 108.800 -0.018 0.000 4.331 750 G HA2 0.335 4.297 3.960 0.002 0.000 0.299 750 G HA3 0.335 4.297 3.960 0.002 0.000 0.299 750 G C 0.824 175.719 174.900 -0.008 0.000 1.158 750 G CA 0.263 45.335 45.100 -0.047 0.000 0.916 750 G HN 0.166 nan 8.290 nan 0.000 0.553 751 E N 1.287 121.490 120.200 0.005 0.000 2.086 751 E HA -0.160 4.191 4.350 0.002 0.000 0.200 751 E C 2.630 179.260 176.600 0.050 0.000 1.012 751 E CA 1.461 57.883 56.400 0.037 0.000 0.812 751 E CB -0.477 29.239 29.700 0.027 0.000 0.743 751 E HN 0.407 nan 8.360 nan 0.000 0.453 752 G N -0.407 108.393 108.800 0.001 0.000 2.550 752 G HA2 -0.279 3.683 3.960 0.002 0.000 0.222 752 G HA3 -0.279 3.683 3.960 0.002 0.000 0.222 752 G C 1.374 176.399 174.900 0.208 0.000 1.113 752 G CA 0.963 46.080 45.100 0.029 0.000 0.748 752 G HN 0.414 nan 8.290 nan 0.000 0.585 753 Y N 0.496 120.816 120.300 0.032 0.000 2.470 753 Y HA 0.151 4.702 4.550 0.002 0.000 0.284 753 Y C 0.815 176.742 175.900 0.045 0.000 1.188 753 Y CA -1.045 57.077 58.100 0.037 0.000 1.269 753 Y CB 0.235 38.713 38.460 0.030 0.000 1.094 753 Y HN 0.114 nan 8.280 nan 0.000 0.518 754 N N 0.307 119.124 118.700 0.194 0.000 2.478 754 N HA 0.458 5.199 4.740 0.002 0.000 0.275 754 N C -0.215 175.340 175.510 0.075 0.000 1.221 754 N CA -0.106 53.021 53.050 0.129 0.000 0.979 754 N CB 1.973 40.534 38.487 0.123 0.000 1.202 754 N HN -0.054 nan 8.380 nan 0.000 0.564 755 V N -5.096 114.829 119.914 0.019 0.000 3.112 755 V HA 0.774 4.896 4.120 0.002 0.000 0.310 755 V C 0.481 176.508 176.094 -0.112 0.000 1.364 755 V CA -0.666 61.590 62.300 -0.074 0.000 1.058 755 V CB 0.678 32.379 31.823 -0.203 0.000 1.079 755 V HN 0.779 nan 8.190 nan 0.000 0.463 756 A N -0.547 122.149 122.820 -0.206 0.000 2.799 756 A HA -0.286 4.035 4.320 0.002 0.000 0.274 756 A C 1.012 178.582 177.584 -0.023 0.000 1.393 756 A CA 1.971 53.915 52.037 -0.155 0.000 0.909 756 A CB -2.440 16.441 19.000 -0.198 0.000 1.012 756 A HN 1.818 nan 8.150 nan 0.000 0.653 757 Q N -4.237 115.563 119.800 -0.000 0.000 2.487 757 Q HA -0.259 4.082 4.340 0.002 0.000 0.279 757 Q C 0.299 176.340 176.000 0.068 0.000 1.228 757 Q CA 1.110 56.932 55.803 0.032 0.000 0.873 757 Q CB -2.721 26.028 28.738 0.019 0.000 1.260 757 Q HN 2.148 nan 8.270 nan 0.000 0.471 758 C N -2.724 116.641 119.300 0.108 0.000 3.292 758 C HA 0.564 5.025 4.460 0.002 0.000 0.369 758 C C 1.256 176.377 174.990 0.218 0.000 1.664 758 C CA -0.264 58.865 59.018 0.184 0.000 1.204 758 C CB 0.825 28.706 27.740 0.234 0.000 1.978 758 C HN 0.474 nan 8.230 nan 0.000 0.435 759 N N 0.647 119.536 118.700 0.315 0.000 2.449 759 N HA 0.030 4.772 4.740 0.002 0.000 0.191 759 N C 0.226 175.924 175.510 0.313 0.000 1.161 759 N CA 0.065 53.289 53.050 0.291 0.000 0.863 759 N CB -0.276 38.380 38.487 0.282 0.000 0.980 759 N HN 0.893 nan 8.380 nan 0.000 0.458 760 M N 1.738 121.514 119.600 0.293 0.000 2.242 760 M HA 0.074 4.556 4.480 0.002 0.000 0.344 760 M C 0.155 176.543 176.300 0.147 0.000 1.140 760 M CA -0.266 55.145 55.300 0.186 0.000 1.160 760 M CB 0.858 33.476 32.600 0.030 0.000 1.491 760 M HN 0.205 nan 8.290 nan 0.000 0.459 761 T N 1.166 115.810 114.554 0.150 0.000 2.899 761 T HA 0.313 4.664 4.350 0.002 0.000 0.284 761 T C 0.739 175.515 174.700 0.127 0.000 1.004 761 T CA -0.678 61.503 62.100 0.136 0.000 1.043 761 T CB 1.129 70.069 68.868 0.121 0.000 1.013 761 T HN 0.798 nan 8.240 nan 0.000 0.518 762 K N 0.485 120.936 120.400 0.084 0.000 2.057 762 K HA -0.120 4.201 4.320 0.002 0.000 0.207 762 K C 1.822 178.475 176.600 0.088 0.000 1.049 762 K CA 1.578 57.914 56.287 0.083 0.000 0.931 762 K CB -0.192 32.331 32.500 0.039 0.000 0.714 762 K HN 0.600 nan 8.250 nan 0.000 0.440 763 D N 0.223 120.639 120.400 0.026 0.000 2.106 763 D HA -0.231 4.411 4.640 0.002 0.000 0.191 763 D C 1.487 177.811 176.300 0.040 0.000 0.997 763 D CA 0.919 54.920 54.000 0.001 0.000 0.834 763 D CB -0.281 40.497 40.800 -0.037 0.000 0.956 763 D HN 0.373 nan 8.370 nan 0.000 0.448 764 W N 0.327 121.552 121.300 -0.125 0.000 2.388 764 W HA -0.213 4.448 4.660 0.002 0.000 0.294 764 W C 2.039 178.394 176.519 -0.274 0.000 1.212 764 W CA 0.376 57.594 57.345 -0.211 0.000 1.271 764 W CB -0.410 28.905 29.460 -0.240 0.000 1.126 764 W HN -0.089 nan 8.180 nan 0.000 0.535 765 F N 1.246 121.050 119.950 -0.244 0.000 2.171 765 F HA -0.231 4.297 4.527 0.002 0.000 0.300 765 F C 2.245 177.826 175.800 -0.365 0.000 1.090 765 F CA 1.767 59.534 58.000 -0.388 0.000 1.293 765 F CB -0.984 37.824 39.000 -0.320 0.000 1.013 765 F HN -0.147 nan 8.300 nan 0.000 0.486 766 L N -0.227 120.877 121.223 -0.198 0.000 2.056 766 L HA -0.118 4.224 4.340 0.002 0.000 0.207 766 L C 2.170 178.815 176.870 -0.374 0.000 1.078 766 L CA 1.695 56.460 54.840 -0.125 0.000 0.749 766 L CB -1.012 41.065 42.059 0.030 0.000 0.901 766 L HN 0.028 nan 8.230 nan 0.000 0.433 767 V N -0.303 119.304 119.914 -0.511 0.000 2.343 767 V HA -0.250 3.871 4.120 0.002 0.000 0.247 767 V C 2.678 178.304 176.094 -0.779 0.000 1.051 767 V CA 1.649 63.530 62.300 -0.698 0.000 1.036 767 V CB -0.804 30.519 31.823 -0.834 0.000 0.654 767 V HN 0.503 nan 8.190 nan 0.000 0.451 768 Q N -0.992 118.174 119.800 -1.056 0.000 2.119 768 Q HA -0.090 4.251 4.340 0.002 0.000 0.201 768 Q C 2.230 177.781 176.000 -0.748 0.000 0.972 768 Q CA 1.258 56.391 55.803 -1.117 0.000 0.847 768 Q CB -0.420 27.241 28.738 -1.796 0.000 0.903 768 Q HN 0.463 nan 8.270 nan 0.000 0.433 769 M N -0.020 119.197 119.600 -0.638 0.000 2.175 769 M HA -0.065 4.417 4.480 0.002 0.000 0.264 769 M C 2.267 178.447 176.300 -0.201 0.000 1.063 769 M CA 1.076 56.208 55.300 -0.281 0.000 1.119 769 M CB -0.866 31.535 32.600 -0.332 0.000 1.377 769 M HN 0.160 nan 8.290 nan 0.000 0.415 770 L N -0.415 120.642 121.223 -0.275 0.000 2.027 770 L HA -0.125 4.216 4.340 0.002 0.000 0.206 770 L C 2.707 179.473 176.870 -0.173 0.000 1.074 770 L CA 1.149 55.874 54.840 -0.191 0.000 0.745 770 L CB -0.898 41.058 42.059 -0.171 0.000 0.898 770 L HN 0.242 nan 8.230 nan 0.000 0.433 771 A N 0.231 122.899 122.820 -0.252 0.000 1.940 771 A HA -0.230 4.092 4.320 0.002 0.000 0.219 771 A C 1.966 179.367 177.584 -0.305 0.000 1.176 771 A CA 2.373 54.268 52.037 -0.237 0.000 0.631 771 A CB -0.642 18.174 19.000 -0.307 0.000 0.814 771 A HN 0.483 nan 8.150 nan 0.000 0.446 772 N N -2.404 116.010 118.700 -0.477 0.000 2.336 772 N HA 0.056 4.798 4.740 0.002 0.000 0.177 772 N C 0.553 175.548 175.510 -0.858 0.000 1.018 772 N CA 1.342 53.921 53.050 -0.786 0.000 0.878 772 N CB -0.001 37.719 38.487 -1.279 0.000 0.997 772 N HN 0.623 nan 8.380 nan 0.000 0.433 773 Y N -1.418 118.823 120.300 -0.099 0.000 2.610 773 Y HA 0.396 4.947 4.550 0.002 0.000 0.254 773 Y C -0.086 175.761 175.900 -0.089 0.000 1.110 773 Y CA -0.747 57.293 58.100 -0.099 0.000 1.238 773 Y CB -0.479 37.897 38.460 -0.141 0.000 1.322 773 Y HN -0.104 nan 8.280 nan 0.000 0.547 774 N N 0.675 119.378 118.700 0.006 0.000 2.782 774 N HA -0.190 4.551 4.740 0.002 0.000 0.251 774 N C -0.716 174.785 175.510 -0.016 0.000 1.101 774 N CA 0.340 53.395 53.050 0.009 0.000 0.764 774 N CB -1.000 37.515 38.487 0.048 0.000 1.122 774 N HN 0.261 nan 8.380 nan 0.000 0.561 775 I N -0.195 120.338 120.570 -0.062 0.000 2.353 775 I HA 0.415 4.586 4.170 0.002 0.000 0.293 775 I C 1.395 177.363 176.117 -0.249 0.000 0.992 775 I CA 0.368 61.562 61.300 -0.176 0.000 1.268 775 I CB 1.582 39.393 38.000 -0.316 0.000 1.387 775 I HN 0.271 nan 8.210 nan 0.000 0.478 776 G N 3.951 112.520 108.800 -0.385 0.000 3.685 776 G HA2 -0.183 3.778 3.960 0.002 0.000 0.215 776 G HA3 -0.183 3.778 3.960 0.002 0.000 0.215 776 G C 0.395 174.904 174.900 -0.651 0.000 0.987 776 G CA -0.248 44.454 45.100 -0.664 0.000 0.884 776 G HN 0.461 nan 8.290 nan 0.000 0.406 777 Y N 1.349 121.528 120.300 -0.200 0.000 2.544 777 Y HA 0.382 4.933 4.550 0.002 0.000 0.286 777 Y C 2.084 177.910 175.900 -0.125 0.000 1.141 777 Y CA 1.087 59.101 58.100 -0.144 0.000 1.299 777 Y CB 0.529 38.942 38.460 -0.077 0.000 1.030 777 Y HN 0.250 nan 8.280 nan 0.000 0.543 778 Q N -0.058 119.744 119.800 0.004 0.000 2.333 778 Q HA 0.437 4.779 4.340 0.002 0.000 0.365 778 Q C -0.075 175.940 176.000 0.025 0.000 0.882 778 Q CA -0.112 55.707 55.803 0.027 0.000 1.124 778 Q CB 1.063 29.844 28.738 0.072 0.000 1.345 778 Q HN 0.358 nan 8.270 nan 0.000 0.409 779 G N 0.512 109.244 108.800 -0.113 0.000 2.675 779 G HA2 -0.172 3.789 3.960 0.002 0.000 0.686 779 G HA3 -0.172 3.789 3.960 0.002 0.000 0.686 779 G C -1.205 173.609 174.900 -0.144 0.000 1.215 779 G CA -1.053 44.007 45.100 -0.067 0.000 0.777 779 G HN 0.130 nan 8.290 nan 0.000 0.638 780 F N 1.424 121.433 119.950 0.098 0.000 2.436 780 F HA 0.826 5.355 4.527 0.002 0.000 0.340 780 F C 0.669 176.500 175.800 0.053 0.000 1.113 780 F CA -0.432 57.558 58.000 -0.017 0.000 1.022 780 F CB 1.594 40.675 39.000 0.135 0.000 1.128 780 F HN 0.736 nan 8.300 nan 0.000 0.466 781 Y N 0.102 120.494 120.300 0.153 0.000 2.656 781 Y HA 0.618 5.169 4.550 0.002 0.000 0.334 781 Y C -1.046 174.728 175.900 -0.210 0.000 1.179 781 Y CA -2.093 56.003 58.100 -0.006 0.000 1.050 781 Y CB 0.477 38.918 38.460 -0.031 0.000 1.308 781 Y HN 0.342 nan 8.280 nan 0.000 0.456 782 I N 4.772 125.258 120.570 -0.140 0.000 2.668 782 I HA 0.126 4.298 4.170 0.002 0.000 0.285 782 I C -1.907 173.967 176.117 -0.406 0.000 1.168 782 I CA -1.432 59.541 61.300 -0.544 0.000 1.424 782 I CB 0.509 38.317 38.000 -0.319 0.000 1.377 782 I HN 0.417 nan 8.210 nan 0.000 0.560 783 P HA 0.107 nan 4.420 nan 0.000 0.272 783 P C -0.707 176.358 177.300 -0.391 0.000 1.230 783 P CA -0.403 62.326 63.100 -0.618 0.000 0.788 783 P CB 0.569 31.496 31.700 -1.289 0.000 0.949 784 E N 0.339 120.349 120.200 -0.317 0.000 2.384 784 E HA 0.028 4.379 4.350 0.002 0.000 0.266 784 E C 1.334 177.736 176.600 -0.331 0.000 1.012 784 E CA -0.012 56.215 56.400 -0.289 0.000 0.901 784 E CB 0.162 29.632 29.700 -0.383 0.000 0.967 784 E HN 0.301 nan 8.360 nan 0.000 0.435 785 S N 2.314 117.938 115.700 -0.128 0.000 2.381 785 S HA -0.295 4.176 4.470 0.002 0.000 0.230 785 S C 1.776 176.365 174.600 -0.017 0.000 1.052 785 S CA 1.992 60.167 58.200 -0.040 0.000 1.068 785 S CB -0.521 62.704 63.200 0.041 0.000 0.918 785 S HN 0.693 nan 8.310 nan 0.000 0.448 786 Y N 1.147 121.457 120.300 0.017 0.000 2.497 786 Y HA 0.162 4.714 4.550 0.002 0.000 0.292 786 Y C 1.649 177.585 175.900 0.060 0.000 1.137 786 Y CA 0.594 58.711 58.100 0.029 0.000 1.285 786 Y CB -0.442 38.030 38.460 0.021 0.000 0.991 786 Y HN 0.086 nan 8.280 nan 0.000 0.556 787 K N -0.344 119.829 120.400 -0.379 0.000 2.352 787 K HA 0.006 4.328 4.320 0.002 0.000 0.194 787 K C -0.139 176.532 176.600 0.118 0.000 1.038 787 K CA 0.539 56.750 56.287 -0.126 0.000 1.023 787 K CB 0.257 32.631 32.500 -0.209 0.000 0.840 787 K HN 0.118 nan 8.250 nan 0.000 0.519 788 D N 2.127 122.551 120.400 0.041 0.000 2.638 788 D HA 0.046 4.687 4.640 0.002 0.000 0.245 788 D C -0.051 176.318 176.300 0.114 0.000 1.176 788 D CA -0.259 53.833 54.000 0.153 0.000 0.996 788 D CB 0.233 41.033 40.800 -0.001 0.000 1.012 788 D HN -0.092 nan 8.370 nan 0.000 0.515 789 R N 1.110 121.683 120.500 0.122 0.000 2.828 789 R HA 0.119 4.461 4.340 0.002 0.000 0.270 789 R C 1.542 177.847 176.300 0.009 0.000 1.244 789 R CA -0.500 55.636 56.100 0.060 0.000 1.143 789 R CB -0.329 30.016 30.300 0.075 0.000 1.128 789 R HN 0.342 nan 8.270 nan 0.000 0.587 790 M N 0.067 119.600 119.600 -0.111 0.000 2.159 790 M HA -0.126 4.355 4.480 0.002 0.000 0.263 790 M C 0.424 176.556 176.300 -0.280 0.000 1.063 790 M CA 1.848 56.982 55.300 -0.276 0.000 1.110 790 M CB 0.116 32.403 32.600 -0.522 0.000 1.374 790 M HN 0.419 nan 8.290 nan 0.000 0.411 791 Y N -0.166 120.171 120.300 0.063 0.000 2.571 791 Y HA 0.335 4.886 4.550 0.002 0.000 0.275 791 Y C 0.739 176.688 175.900 0.082 0.000 1.179 791 Y CA -0.576 57.572 58.100 0.079 0.000 1.242 791 Y CB -0.360 38.146 38.460 0.077 0.000 1.126 791 Y HN 0.016 nan 8.280 nan 0.000 0.524 792 S N 0.212 116.029 115.700 0.194 0.000 2.632 792 S HA 0.063 4.534 4.470 0.002 0.000 0.267 792 S C 0.952 175.694 174.600 0.237 0.000 1.276 792 S CA -0.665 57.654 58.200 0.198 0.000 0.998 792 S CB 0.614 63.967 63.200 0.256 0.000 0.953 792 S HN 0.374 nan 8.310 nan 0.000 0.547 793 F N 1.612 121.628 119.950 0.110 0.000 2.031 793 F HA -0.079 4.449 4.527 0.002 0.000 0.295 793 F C 1.829 177.779 175.800 0.251 0.000 1.133 793 F CA 1.377 59.452 58.000 0.124 0.000 1.188 793 F CB -0.769 38.242 39.000 0.019 0.000 0.974 793 F HN 0.647 nan 8.300 nan 0.000 0.473 794 F N 1.416 121.208 119.950 -0.263 0.000 2.065 794 F HA -0.232 4.296 4.527 0.002 0.000 0.298 794 F C 2.743 178.465 175.800 -0.129 0.000 1.112 794 F CA 2.315 60.102 58.000 -0.354 0.000 1.212 794 F CB -0.669 38.236 39.000 -0.158 0.000 0.975 794 F HN 0.019 nan 8.300 nan 0.000 0.476 795 R N 0.889 121.434 120.500 0.074 0.000 2.154 795 R HA -0.192 4.149 4.340 0.002 0.000 0.248 795 R C 1.315 177.566 176.300 -0.081 0.000 1.155 795 R CA 2.221 58.326 56.100 0.009 0.000 0.979 795 R CB -0.712 29.632 30.300 0.073 0.000 0.869 795 R HN 0.355 nan 8.270 nan 0.000 0.452 796 N N -0.796 117.872 118.700 -0.053 0.000 2.205 796 N HA -0.029 4.712 4.740 0.002 0.000 0.201 796 N C -0.770 174.755 175.510 0.024 0.000 1.128 796 N CA -0.087 52.968 53.050 0.008 0.000 0.867 796 N CB 0.266 38.816 38.487 0.105 0.000 0.996 796 N HN 0.079 nan 8.380 nan 0.000 0.503 797 F N 3.093 122.843 119.950 -0.334 0.000 2.471 797 F HA 0.176 4.704 4.527 0.002 0.000 0.365 797 F C -0.032 175.642 175.800 -0.209 0.000 1.095 797 F CA -0.251 57.566 58.000 -0.304 0.000 1.174 797 F CB 0.529 39.125 39.000 -0.674 0.000 1.105 797 F HN -0.171 nan 8.300 nan 0.000 0.535 798 Q N 8.917 128.454 119.800 -0.437 0.000 2.674 798 Q HA 0.279 4.620 4.340 0.002 0.000 0.249 798 Q C -2.641 173.100 176.000 -0.430 0.000 1.011 798 Q CA -1.932 53.615 55.803 -0.426 0.000 0.734 798 Q CB 1.438 30.073 28.738 -0.172 0.000 1.201 798 Q HN 0.450 nan 8.270 nan 0.000 0.498 799 P HA 0.267 nan 4.420 nan 0.000 0.275 799 P C -0.517 176.715 177.300 -0.112 0.000 1.227 799 P CA -0.104 62.803 63.100 -0.320 0.000 0.781 799 P CB 1.071 32.543 31.700 -0.380 0.000 0.906 800 M N 1.135 120.746 119.600 0.019 0.000 2.531 800 M HA 0.440 4.922 4.480 0.002 0.000 0.286 800 M C -0.456 176.047 176.300 0.339 0.000 1.232 800 M CA -0.364 55.013 55.300 0.127 0.000 0.877 800 M CB 2.713 35.322 32.600 0.015 0.000 1.726 800 M HN 0.196 nan 8.290 nan 0.000 0.463 801 S N 0.534 116.479 115.700 0.409 0.000 2.579 801 S HA 0.874 5.345 4.470 0.002 0.000 0.272 801 S C -1.472 173.177 174.600 0.081 0.000 1.141 801 S CA -0.955 57.426 58.200 0.301 0.000 0.843 801 S CB 2.730 66.008 63.200 0.129 0.000 1.122 801 S HN 0.792 nan 8.310 nan 0.000 0.468 802 R N 0.610 120.950 120.500 -0.266 0.000 2.728 802 R HA 0.696 5.038 4.340 0.002 0.000 0.274 802 R C -2.116 173.966 176.300 -0.364 0.000 1.030 802 R CA -0.957 54.875 56.100 -0.447 0.000 0.876 802 R CB 0.740 30.425 30.300 -1.026 0.000 1.259 802 R HN 0.417 nan 8.270 nan 0.000 0.468 803 Q N 0.216 119.845 119.800 -0.285 0.000 2.351 803 Q HA 0.714 5.056 4.340 0.002 0.000 0.273 803 Q C -1.182 174.690 176.000 -0.213 0.000 1.077 803 Q CA -0.680 54.998 55.803 -0.208 0.000 0.843 803 Q CB 2.898 31.552 28.738 -0.140 0.000 1.367 803 Q HN 0.610 nan 8.270 nan 0.000 0.449 804 V N -2.230 117.583 119.914 -0.168 0.000 3.120 804 V HA 0.697 4.819 4.120 0.002 0.000 0.303 804 V C -0.364 175.658 176.094 -0.121 0.000 1.238 804 V CA -1.412 60.811 62.300 -0.129 0.000 1.008 804 V CB 1.221 32.975 31.823 -0.115 0.000 1.064 804 V HN 0.650 nan 8.190 nan 0.000 0.434 805 V N -0.440 119.412 119.914 -0.104 0.000 2.720 805 V HA 0.193 4.315 4.120 0.002 0.000 0.307 805 V C 0.394 176.375 176.094 -0.187 0.000 1.071 805 V CA 0.443 62.634 62.300 -0.183 0.000 1.199 805 V CB 0.267 31.973 31.823 -0.195 0.000 0.900 805 V HN 1.056 nan 8.190 nan 0.000 0.494 806 D N 4.312 124.598 120.400 -0.189 0.000 2.374 806 D HA 0.043 4.685 4.640 0.002 0.000 0.240 806 D C 1.101 177.253 176.300 -0.247 0.000 1.229 806 D CA -0.067 53.833 54.000 -0.168 0.000 0.895 806 D CB 0.966 41.704 40.800 -0.104 0.000 1.046 806 D HN 0.864 nan 8.370 nan 0.000 0.498 807 D N 1.568 121.712 120.400 -0.427 0.000 2.384 807 D HA -0.160 4.482 4.640 0.002 0.000 0.222 807 D C 1.165 177.234 176.300 -0.386 0.000 0.976 807 D CA 0.632 54.143 54.000 -0.816 0.000 0.915 807 D CB -0.070 40.142 40.800 -0.980 0.000 0.896 807 D HN 0.414 nan 8.370 nan 0.000 0.523 808 T N -5.268 109.170 114.554 -0.194 0.000 3.044 808 T HA 0.388 4.740 4.350 0.002 0.000 0.260 808 T C 1.511 176.182 174.700 -0.049 0.000 1.019 808 T CA 0.368 62.412 62.100 -0.093 0.000 0.921 808 T CB 0.511 69.337 68.868 -0.070 0.000 1.053 808 T HN 0.280 nan 8.240 nan 0.000 0.533 809 K N 0.244 120.622 120.400 -0.036 0.000 2.502 809 K HA 0.362 4.684 4.320 0.002 0.000 0.211 809 K C 0.122 176.756 176.600 0.056 0.000 1.259 809 K CA -0.290 55.997 56.287 0.000 0.000 0.983 809 K CB -0.222 32.274 32.500 -0.007 0.000 1.054 809 K HN 0.499 nan 8.250 nan 0.000 0.572 810 Y N 2.985 123.232 120.300 -0.088 0.000 2.556 810 Y HA 0.386 4.937 4.550 0.002 0.000 0.352 810 Y C 1.627 177.519 175.900 -0.013 0.000 1.006 810 Y CA -0.331 57.727 58.100 -0.071 0.000 1.277 810 Y CB 0.577 38.960 38.460 -0.128 0.000 1.136 810 Y HN 0.295 nan 8.280 nan 0.000 0.523 811 K N 3.061 123.287 120.400 -0.290 0.000 2.077 811 K HA -0.218 4.104 4.320 0.002 0.000 0.213 811 K C 1.058 177.411 176.600 -0.411 0.000 1.051 811 K CA 2.515 58.627 56.287 -0.290 0.000 0.929 811 K CB -0.740 31.641 32.500 -0.199 0.000 0.715 811 K HN 0.809 nan 8.250 nan 0.000 0.451 812 D N -1.457 118.440 120.400 -0.838 0.000 2.319 812 D HA 0.055 4.697 4.640 0.002 0.000 0.230 812 D C -0.030 176.062 176.300 -0.347 0.000 1.094 812 D CA -0.336 53.330 54.000 -0.558 0.000 0.856 812 D CB -0.626 39.906 40.800 -0.446 0.000 0.915 812 D HN 0.543 nan 8.370 nan 0.000 0.517 813 Y N 2.354 122.406 120.300 -0.414 0.000 2.811 813 Y HA -0.060 4.491 4.550 0.003 0.000 0.334 813 Y C 0.096 176.055 175.900 0.098 0.000 1.247 813 Y CA 0.527 58.627 58.100 -0.000 0.000 1.526 813 Y CB 0.354 38.841 38.460 0.045 0.000 1.284 813 Y HN -0.154 nan 8.280 nan 0.000 0.586 814 Q N 5.787 125.221 119.800 -0.610 0.000 2.263 814 Q HA 0.148 4.490 4.340 0.002 0.000 0.266 814 Q C -1.339 174.262 176.000 -0.664 0.000 1.002 814 Q CA -0.706 54.824 55.803 -0.454 0.000 0.790 814 Q CB 2.006 30.677 28.738 -0.111 0.000 1.272 814 Q HN 0.786 nan 8.270 nan 0.000 0.435 815 Q N 2.405 121.914 119.800 -0.485 0.000 2.323 815 Q HA 0.418 4.760 4.340 0.002 0.000 0.257 815 Q C -1.058 174.910 176.000 -0.053 0.000 1.022 815 Q CA -0.166 55.534 55.803 -0.172 0.000 0.919 815 Q CB 0.667 29.451 28.738 0.076 0.000 1.220 815 Q HN 0.360 nan 8.270 nan 0.000 0.427 816 V N 3.642 123.543 119.914 -0.021 0.000 2.487 816 V HA 0.592 4.714 4.120 0.002 0.000 0.298 816 V C 0.551 176.601 176.094 -0.074 0.000 1.028 816 V CA -0.726 61.552 62.300 -0.037 0.000 0.860 816 V CB 1.565 33.343 31.823 -0.075 0.000 0.991 816 V HN 0.859 nan 8.190 nan 0.000 0.427 817 G N 2.273 111.062 108.800 -0.018 0.000 2.522 817 G HA2 0.505 4.466 3.960 0.002 0.000 0.304 817 G HA3 0.505 4.466 3.960 0.002 0.000 0.304 817 G C 0.850 175.676 174.900 -0.123 0.000 1.210 817 G CA -0.538 44.530 45.100 -0.053 0.000 0.960 817 G HN 0.740 nan 8.290 nan 0.000 0.497 818 I N -0.538 119.953 120.570 -0.131 0.000 2.236 818 I HA -0.216 3.955 4.170 0.002 0.000 0.249 818 I C 2.488 178.531 176.117 -0.124 0.000 1.102 818 I CA 1.094 62.313 61.300 -0.135 0.000 1.365 818 I CB -0.987 36.955 38.000 -0.096 0.000 1.051 818 I HN 0.363 nan 8.210 nan 0.000 0.420 819 L N -0.256 120.863 121.223 -0.173 0.000 2.129 819 L HA -0.247 4.095 4.340 0.002 0.000 0.212 819 L C 1.687 178.298 176.870 -0.432 0.000 1.087 819 L CA 1.813 56.467 54.840 -0.310 0.000 0.757 819 L CB -0.712 41.087 42.059 -0.433 0.000 0.896 819 L HN 0.467 nan 8.230 nan 0.000 0.434 820 H N -2.594 116.494 119.070 0.030 0.000 2.785 820 H HA 0.232 4.789 4.556 0.002 0.000 0.268 820 H C -0.123 175.195 175.328 -0.017 0.000 1.153 820 H CA -0.359 55.707 56.048 0.030 0.000 1.111 820 H CB 0.387 30.149 29.762 -0.000 0.000 1.633 820 H HN 0.294 nan 8.280 nan 0.000 0.576 821 Q N 1.366 121.158 119.800 -0.013 0.000 2.243 821 Q HA 0.299 4.640 4.340 0.002 0.000 0.252 821 Q C -0.654 175.373 176.000 0.045 0.000 0.909 821 Q CA -0.668 55.063 55.803 -0.120 0.000 0.922 821 Q CB 1.157 29.688 28.738 -0.346 0.000 1.215 821 Q HN 0.528 nan 8.270 nan 0.000 0.427 822 H N -0.350 118.760 119.070 0.068 0.000 2.840 822 H HA 0.566 5.123 4.556 0.003 0.000 0.340 822 H C -1.463 173.922 175.328 0.094 0.000 1.004 822 H CA -0.953 55.149 56.048 0.090 0.000 1.288 822 H CB 1.090 30.890 29.762 0.064 0.000 1.607 822 H HN 0.430 nan 8.280 nan 0.000 0.522 823 N N 3.145 121.991 118.700 0.244 0.000 2.519 823 N HA 0.182 4.924 4.740 0.002 0.000 0.291 823 N C -0.743 174.933 175.510 0.278 0.000 1.107 823 N CA -0.377 52.777 53.050 0.173 0.000 0.904 823 N CB 0.911 39.353 38.487 -0.076 0.000 1.500 823 N HN 0.869 nan 8.380 nan 0.000 0.510 824 N N 0.225 119.100 118.700 0.293 0.000 2.882 824 N HA -0.156 4.585 4.740 0.002 0.000 0.249 824 N C -0.670 175.047 175.510 0.346 0.000 1.079 824 N CA 1.044 54.329 53.050 0.392 0.000 0.800 824 N CB -1.455 37.231 38.487 0.332 0.000 1.124 824 N HN 0.734 nan 8.380 nan 0.000 0.557 825 S N -0.895 114.934 115.700 0.215 0.000 2.552 825 S HA 0.396 4.868 4.470 0.002 0.000 0.289 825 S C 1.628 176.107 174.600 -0.202 0.000 1.304 825 S CA 0.979 59.201 58.200 0.037 0.000 1.063 825 S CB 1.541 64.734 63.200 -0.012 0.000 0.848 825 S HN 1.028 nan 8.310 nan 0.000 0.499 826 G N 1.967 110.590 108.800 -0.295 0.000 2.268 826 G HA2 -0.257 3.705 3.960 0.002 0.000 0.240 826 G HA3 -0.257 3.705 3.960 0.002 0.000 0.240 826 G C 0.243 174.752 174.900 -0.652 0.000 1.010 826 G CA 0.371 45.132 45.100 -0.565 0.000 0.618 826 G HN 0.778 nan 8.290 nan 0.000 0.516 827 F N 0.540 120.498 119.950 0.013 0.000 2.706 827 F HA 0.610 5.138 4.527 0.002 0.000 0.308 827 F C 0.988 176.789 175.800 0.001 0.000 1.095 827 F CA -0.188 57.817 58.000 0.008 0.000 1.244 827 F CB 0.842 39.855 39.000 0.022 0.000 1.063 827 F HN 0.156 nan 8.300 nan 0.000 0.582 828 V N -0.930 119.057 119.914 0.120 0.000 3.126 828 V HA 0.766 4.888 4.120 0.002 0.000 0.314 828 V C 0.521 176.626 176.094 0.019 0.000 1.138 828 V CA -1.219 61.121 62.300 0.068 0.000 1.034 828 V CB 1.505 33.387 31.823 0.097 0.000 1.075 828 V HN 0.077 nan 8.190 nan 0.000 0.442 829 G N -0.581 108.211 108.800 -0.013 0.000 2.599 829 G HA2 0.366 4.327 3.960 0.002 0.000 0.264 829 G HA3 0.366 4.327 3.960 0.002 0.000 0.264 829 G C -1.245 173.692 174.900 0.062 0.000 1.200 829 G CA -0.149 44.940 45.100 -0.018 0.000 0.896 829 G HN 0.684 nan 8.290 nan 0.000 0.536 830 Y N 1.019 121.272 120.300 -0.078 0.000 2.404 830 Y HA 0.365 4.916 4.550 0.003 0.000 0.344 830 Y C 1.051 176.931 175.900 -0.034 0.000 0.970 830 Y CA -0.958 57.107 58.100 -0.058 0.000 1.180 830 Y CB 0.331 38.744 38.460 -0.077 0.000 1.138 830 Y HN 0.463 nan 8.280 nan 0.000 0.510 831 L N 4.199 125.189 121.223 -0.389 0.000 3.976 831 L HA -0.341 4.000 4.340 0.002 0.000 0.418 831 L C -0.213 176.615 176.870 -0.069 0.000 1.177 831 L CA 0.788 55.420 54.840 -0.347 0.000 0.968 831 L CB -2.054 39.590 42.059 -0.692 0.000 1.933 831 L HN 0.720 nan 8.230 nan 0.000 0.976 832 A N -1.243 121.542 122.820 -0.059 0.000 2.601 832 A HA 0.728 5.049 4.320 0.002 0.000 0.291 832 A C -2.466 175.043 177.584 -0.125 0.000 1.075 832 A CA -0.636 51.380 52.037 -0.036 0.000 0.671 832 A CB 1.213 20.216 19.000 0.004 0.000 1.277 832 A HN -0.085 nan 8.150 nan 0.000 0.417 833 P HA 0.134 nan 4.420 nan 0.000 0.243 833 P C 0.344 177.516 177.300 -0.212 0.000 1.668 833 P CA 0.492 63.396 63.100 -0.326 0.000 0.898 833 P CB -0.577 30.862 31.700 -0.435 0.000 1.637 834 T N -3.979 110.481 114.554 -0.158 0.000 2.892 834 T HA 0.410 4.762 4.350 0.002 0.000 0.280 834 T C 0.599 175.212 174.700 -0.145 0.000 1.004 834 T CA -1.105 60.906 62.100 -0.149 0.000 0.950 834 T CB 0.484 69.256 68.868 -0.160 0.000 1.309 834 T HN -0.010 nan 8.240 nan 0.000 0.592 835 M N 1.804 121.309 119.600 -0.157 0.000 2.245 835 M HA 0.111 4.592 4.480 0.002 0.000 0.335 835 M C 0.337 176.572 176.300 -0.108 0.000 1.155 835 M CA -0.493 54.728 55.300 -0.131 0.000 1.055 835 M CB 0.420 32.931 32.600 -0.149 0.000 1.670 835 M HN 0.770 nan 8.290 nan 0.000 0.447 836 R N 3.557 124.014 120.500 -0.073 0.000 2.756 836 R HA 0.220 4.561 4.340 0.002 0.000 0.264 836 R C -0.746 175.502 176.300 -0.087 0.000 1.026 836 R CA 0.053 56.120 56.100 -0.055 0.000 1.121 836 R CB 0.034 30.325 30.300 -0.015 0.000 0.999 836 R HN 0.747 nan 8.270 nan 0.000 0.449 837 E N -0.365 119.777 120.200 -0.098 0.000 2.437 837 E HA 0.583 4.935 4.350 0.002 0.000 0.280 837 E C -0.435 176.069 176.600 -0.160 0.000 1.044 837 E CA -1.064 55.261 56.400 -0.125 0.000 0.826 837 E CB 0.986 30.618 29.700 -0.114 0.000 1.358 837 E HN 0.896 nan 8.360 nan 0.000 0.459 838 G N 0.554 109.244 108.800 -0.184 0.000 2.548 838 G HA2 -0.027 3.934 3.960 0.002 0.000 0.208 838 G HA3 -0.027 3.934 3.960 0.002 0.000 0.208 838 G C -1.151 173.600 174.900 -0.248 0.000 1.308 838 G CA -0.060 44.907 45.100 -0.221 0.000 0.924 838 G HN 0.975 nan 8.290 nan 0.000 0.540 839 Q N -0.994 118.645 119.800 -0.268 0.000 2.416 839 Q HA 0.782 5.124 4.340 0.002 0.000 0.281 839 Q C -0.054 175.806 176.000 -0.233 0.000 1.067 839 Q CA -0.370 55.282 55.803 -0.252 0.000 0.809 839 Q CB 1.904 30.524 28.738 -0.196 0.000 1.418 839 Q HN 2.224 nan 8.270 nan 0.000 0.411 840 A N 1.618 124.316 122.820 -0.203 0.000 2.507 840 A HA 0.457 4.778 4.320 0.002 0.000 0.235 840 A C -1.126 176.569 177.584 0.185 0.000 1.070 840 A CA 0.472 52.494 52.037 -0.024 0.000 0.768 840 A CB 0.047 19.119 19.000 0.118 0.000 1.011 840 A HN 0.671 nan 8.150 nan 0.000 0.502 841 Y N 0.318 120.624 120.300 0.010 0.000 2.643 841 Y HA 0.331 4.882 4.550 0.002 0.000 0.347 841 Y C -2.446 173.501 175.900 0.078 0.000 1.208 841 Y CA -1.328 56.771 58.100 -0.003 0.000 1.245 841 Y CB 1.288 39.673 38.460 -0.126 0.000 1.369 841 Y HN 0.663 nan 8.280 nan 0.000 0.487 842 P HA 0.300 nan 4.420 nan 0.000 0.264 842 P C -0.663 176.749 177.300 0.188 0.000 1.183 842 P CA 0.141 63.230 63.100 -0.019 0.000 0.763 842 P CB 0.705 32.316 31.700 -0.148 0.000 0.807 843 A N 3.299 126.194 122.820 0.126 0.000 2.386 843 A HA 0.156 4.478 4.320 0.002 0.000 0.248 843 A C 1.147 178.698 177.584 -0.055 0.000 1.082 843 A CA -0.322 51.769 52.037 0.089 0.000 0.789 843 A CB -0.126 18.862 19.000 -0.020 0.000 1.025 843 A HN 0.719 nan 8.150 nan 0.000 0.490 844 N N -0.248 118.296 118.700 -0.260 0.000 2.177 844 N HA 0.230 4.972 4.740 0.002 0.000 0.218 844 N C -0.762 174.633 175.510 -0.192 0.000 1.182 844 N CA -0.076 52.814 53.050 -0.267 0.000 0.882 844 N CB 0.310 38.533 38.487 -0.440 0.000 1.052 844 N HN 0.418 nan 8.380 nan 0.000 0.519 845 F N 0.943 120.662 119.950 -0.384 0.000 2.650 845 F HA 0.601 5.130 4.527 0.002 0.000 0.310 845 F C -2.882 172.647 175.800 -0.452 0.000 1.112 845 F CA -1.478 56.286 58.000 -0.393 0.000 0.986 845 F CB 2.156 40.978 39.000 -0.297 0.000 1.285 845 F HN -0.198 nan 8.300 nan 0.000 0.440 846 P HA 0.278 nan 4.420 nan 0.000 0.284 846 P C -1.423 175.493 177.300 -0.639 0.000 1.287 846 P CA -0.316 61.971 63.100 -1.355 0.000 0.824 846 P CB 1.253 32.252 31.700 -1.168 0.000 1.180 847 Y N -0.165 119.901 120.300 -0.390 0.000 2.411 847 Y HA 0.201 4.752 4.550 0.003 0.000 0.333 847 Y C -1.410 174.367 175.900 -0.206 0.000 1.186 847 Y CA -1.215 56.758 58.100 -0.212 0.000 1.381 847 Y CB -1.029 37.334 38.460 -0.161 0.000 1.273 847 Y HN 0.214 nan 8.280 nan 0.000 0.546 848 P HA 0.145 nan 4.420 nan 0.000 0.276 848 P C -0.035 177.227 177.300 -0.063 0.000 1.243 848 P CA 0.150 63.229 63.100 -0.036 0.000 0.768 848 P CB 0.579 32.266 31.700 -0.021 0.000 0.856 849 L N 3.206 124.388 121.223 -0.068 0.000 2.640 849 L HA 0.288 4.630 4.340 0.002 0.000 0.230 849 L C 0.953 177.783 176.870 -0.066 0.000 1.123 849 L CA 0.097 54.887 54.840 -0.083 0.000 0.900 849 L CB -0.182 41.827 42.059 -0.084 0.000 1.146 849 L HN 0.396 nan 8.230 nan 0.000 0.484 850 I N -4.217 116.323 120.570 -0.051 0.000 3.322 850 I HA 0.936 5.107 4.170 0.002 0.000 0.313 850 I C 0.345 176.443 176.117 -0.031 0.000 1.129 850 I CA -0.771 60.506 61.300 -0.038 0.000 0.963 850 I CB 1.602 39.584 38.000 -0.029 0.000 1.273 850 I HN -0.015 nan 8.210 nan 0.000 0.473 851 G N 1.607 110.393 108.800 -0.023 0.000 2.757 851 G HA2 -0.190 3.771 3.960 0.002 0.000 0.638 851 G HA3 -0.190 3.771 3.960 0.002 0.000 0.638 851 G C 0.001 174.892 174.900 -0.014 0.000 1.344 851 G CA 0.128 45.218 45.100 -0.017 0.000 0.855 851 G HN 0.926 nan 8.290 nan 0.000 0.537 852 K N -0.537 119.858 120.400 -0.008 0.000 2.209 852 K HA -0.037 4.284 4.320 0.002 0.000 0.204 852 K C 2.283 178.883 176.600 0.001 0.000 1.048 852 K CA 1.889 58.174 56.287 -0.003 0.000 0.940 852 K CB -0.170 32.331 32.500 0.001 0.000 0.729 852 K HN 0.797 nan 8.250 nan 0.000 0.451 853 T N -1.981 112.574 114.554 0.002 0.000 3.243 853 T HA 0.416 4.767 4.350 0.002 0.000 0.264 853 T C 0.201 174.895 174.700 -0.011 0.000 1.000 853 T CA -0.578 61.530 62.100 0.013 0.000 0.901 853 T CB 0.366 69.253 68.868 0.032 0.000 1.083 853 T HN 0.072 nan 8.240 nan 0.000 0.559 854 A N 1.187 123.987 122.820 -0.034 0.000 2.565 854 A HA 0.473 4.795 4.320 0.002 0.000 0.237 854 A C 0.678 178.186 177.584 -0.127 0.000 1.053 854 A CA -0.351 51.642 52.037 -0.073 0.000 0.755 854 A CB -0.019 18.944 19.000 -0.062 0.000 0.980 854 A HN 0.661 nan 8.150 nan 0.000 0.506 855 V N 3.082 122.850 119.914 -0.243 0.000 2.834 855 V HA 0.158 4.279 4.120 0.002 0.000 0.301 855 V C 0.105 175.996 176.094 -0.337 0.000 1.066 855 V CA -0.762 61.241 62.300 -0.495 0.000 1.052 855 V CB 0.880 32.153 31.823 -0.916 0.000 1.021 855 V HN 0.911 nan 8.190 nan 0.000 0.480 856 D N 3.991 124.222 120.400 -0.282 0.000 2.487 856 D HA 0.172 4.814 4.640 0.002 0.000 0.243 856 D C 0.168 176.365 176.300 -0.171 0.000 1.154 856 D CA 0.679 54.603 54.000 -0.126 0.000 0.876 856 D CB 0.853 41.650 40.800 -0.004 0.000 1.161 856 D HN 0.829 nan 8.370 nan 0.000 0.478 857 S N 1.663 117.286 115.700 -0.128 0.000 2.677 857 S HA 0.750 5.222 4.470 0.002 0.000 0.304 857 S C -0.501 174.041 174.600 -0.097 0.000 1.108 857 S CA -0.911 57.213 58.200 -0.128 0.000 0.944 857 S CB 2.141 65.266 63.200 -0.125 0.000 1.127 857 S HN 0.309 nan 8.310 nan 0.000 0.511 858 I N 0.423 120.933 120.570 -0.100 0.000 2.730 858 I HA 0.567 4.738 4.170 0.002 0.000 0.298 858 I C -0.630 175.435 176.117 -0.088 0.000 1.089 858 I CA -0.047 61.205 61.300 -0.081 0.000 1.041 858 I CB 2.401 40.355 38.000 -0.077 0.000 1.235 858 I HN 0.875 nan 8.210 nan 0.000 0.423 859 T N 5.847 120.362 114.554 -0.065 0.000 2.867 859 T HA 0.528 4.879 4.350 0.002 0.000 0.282 859 T C -0.844 173.830 174.700 -0.043 0.000 1.000 859 T CA -0.539 61.521 62.100 -0.067 0.000 1.042 859 T CB 0.981 69.827 68.868 -0.036 0.000 0.973 859 T HN 0.482 nan 8.240 nan 0.000 0.465 860 Q N 1.946 121.706 119.800 -0.067 0.000 2.337 860 Q HA 0.510 4.852 4.340 0.002 0.000 0.270 860 Q C -0.970 175.131 176.000 0.169 0.000 1.043 860 Q CA -0.866 54.956 55.803 0.031 0.000 0.794 860 Q CB 2.614 31.346 28.738 -0.009 0.000 1.281 860 Q HN 0.446 nan 8.270 nan 0.000 0.446 861 K N 2.080 122.627 120.400 0.244 0.000 2.371 861 K HA 0.585 4.906 4.320 0.002 0.000 0.251 861 K C -0.776 175.992 176.600 0.280 0.000 0.934 861 K CA -0.714 55.746 56.287 0.288 0.000 0.798 861 K CB 2.181 34.797 32.500 0.192 0.000 1.204 861 K HN 0.583 nan 8.250 nan 0.000 0.427 862 K N 0.614 121.155 120.400 0.236 0.000 2.544 862 K HA 0.577 4.898 4.320 0.002 0.000 0.282 862 K C -1.493 175.198 176.600 0.152 0.000 1.020 862 K CA -0.989 55.363 56.287 0.108 0.000 0.830 862 K CB 1.185 33.623 32.500 -0.104 0.000 1.521 862 K HN 0.471 nan 8.250 nan 0.000 0.376 863 F N -1.347 118.610 119.950 0.012 0.000 2.719 863 F HA 0.705 5.234 4.527 0.002 0.000 0.309 863 F C -2.309 173.503 175.800 0.019 0.000 1.138 863 F CA -1.199 56.799 58.000 -0.003 0.000 0.943 863 F CB 0.966 40.062 39.000 0.161 0.000 1.304 863 F HN 0.342 nan 8.300 nan 0.000 0.445 864 L N 1.798 123.133 121.223 0.187 0.000 2.341 864 L HA 0.754 5.096 4.340 0.002 0.000 0.267 864 L C -0.922 176.205 176.870 0.429 0.000 1.009 864 L CA -0.743 54.160 54.840 0.106 0.000 0.819 864 L CB 2.013 44.017 42.059 -0.092 0.000 1.323 864 L HN 1.025 nan 8.230 nan 0.000 0.425 865 C N 2.115 121.666 119.300 0.418 0.000 3.166 865 C HA 0.342 4.803 4.460 0.002 0.000 0.277 865 C C -0.685 174.464 174.990 0.265 0.000 0.984 865 C CA -0.845 58.407 59.018 0.389 0.000 1.142 865 C CB -0.958 27.113 27.740 0.552 0.000 1.721 865 C HN 0.793 nan 8.230 nan 0.000 0.628 866 D N 1.667 122.245 120.400 0.297 0.000 2.371 866 D HA 0.228 4.870 4.640 0.002 0.000 0.242 866 D C 0.983 177.509 176.300 0.378 0.000 1.218 866 D CA 0.133 54.367 54.000 0.390 0.000 0.945 866 D CB 0.438 41.540 40.800 0.504 0.000 1.137 866 D HN 0.727 nan 8.370 nan 0.000 0.464 867 R N -1.766 119.033 120.500 0.498 0.000 3.484 867 R HA -0.238 4.104 4.340 0.002 0.000 0.260 867 R C -0.667 175.930 176.300 0.495 0.000 1.053 867 R CA 0.965 57.368 56.100 0.506 0.000 0.703 867 R CB -2.547 28.034 30.300 0.469 0.000 1.089 867 R HN 0.354 nan 8.270 nan 0.000 0.459 868 T N -0.283 114.463 114.554 0.320 0.000 2.865 868 T HA 0.717 5.069 4.350 0.002 0.000 0.294 868 T C -0.997 173.592 174.700 -0.185 0.000 1.119 868 T CA -0.865 61.310 62.100 0.126 0.000 1.007 868 T CB 1.401 70.308 68.868 0.066 0.000 1.225 868 T HN 0.269 nan 8.240 nan 0.000 0.515 869 L N 1.893 122.940 121.223 -0.293 0.000 2.346 869 L HA 0.552 4.894 4.340 0.002 0.000 0.276 869 L C -0.616 175.981 176.870 -0.454 0.000 1.006 869 L CA -0.973 53.552 54.840 -0.525 0.000 0.817 869 L CB 1.759 43.531 42.059 -0.478 0.000 1.272 869 L HN 0.717 nan 8.230 nan 0.000 0.421 870 W N 2.776 123.707 121.300 -0.616 0.000 2.181 870 W HA 0.337 4.998 4.660 0.002 0.000 0.335 870 W C 0.245 176.364 176.519 -0.666 0.000 1.310 870 W CA -0.505 56.423 57.345 -0.695 0.000 1.226 870 W CB 0.606 29.303 29.460 -1.272 0.000 1.155 870 W HN 0.287 nan 8.180 nan 0.000 0.565 871 R N 3.197 123.567 120.500 -0.216 0.000 2.628 871 R HA 0.570 4.911 4.340 0.002 0.000 0.288 871 R C -1.044 175.128 176.300 -0.213 0.000 0.980 871 R CA -0.957 55.019 56.100 -0.208 0.000 0.891 871 R CB 1.874 32.033 30.300 -0.236 0.000 1.188 871 R HN 0.435 nan 8.270 nan 0.000 0.450 872 I N 4.195 124.767 120.570 0.002 0.000 2.583 872 I HA 0.264 4.435 4.170 0.002 0.000 0.276 872 I C -2.296 174.031 176.117 0.350 0.000 1.089 872 I CA -2.082 59.269 61.300 0.085 0.000 1.103 872 I CB 2.063 40.085 38.000 0.038 0.000 1.209 872 I HN 0.282 nan 8.210 nan 0.000 0.484 873 P HA 0.056 nan 4.420 nan 0.000 0.275 873 P C -0.482 177.112 177.300 0.489 0.000 1.228 873 P CA -0.257 62.997 63.100 0.256 0.000 0.786 873 P CB 1.010 32.812 31.700 0.169 0.000 0.927 874 F N 2.438 122.372 119.950 -0.027 0.000 2.640 874 F HA 0.298 4.826 4.527 0.002 0.000 0.354 874 F C 0.355 176.210 175.800 0.092 0.000 1.213 874 F CA -0.145 57.831 58.000 -0.041 0.000 1.314 874 F CB -0.596 38.131 39.000 -0.455 0.000 1.679 874 F HN 0.118 nan 8.300 nan 0.000 0.622 875 S N 0.656 116.467 115.700 0.186 0.000 2.538 875 S HA 0.311 4.783 4.470 0.002 0.000 0.288 875 S C 0.968 175.519 174.600 -0.081 0.000 1.108 875 S CA -0.070 58.146 58.200 0.027 0.000 0.971 875 S CB 1.253 64.496 63.200 0.072 0.000 1.041 875 S HN 0.504 nan 8.310 nan 0.000 0.483 876 S N 3.458 119.077 115.700 -0.135 0.000 2.420 876 S HA -0.181 4.291 4.470 0.002 0.000 0.237 876 S C 0.921 175.320 174.600 -0.335 0.000 1.023 876 S CA 1.788 59.862 58.200 -0.210 0.000 0.991 876 S CB -0.629 62.485 63.200 -0.143 0.000 0.792 876 S HN 0.868 nan 8.310 nan 0.000 0.488 877 N N -0.555 118.000 118.700 -0.241 0.000 2.197 877 N HA 0.246 4.987 4.740 0.002 0.000 0.228 877 N C 0.266 175.795 175.510 0.031 0.000 1.212 877 N CA -0.383 52.571 53.050 -0.159 0.000 0.883 877 N CB -0.963 37.493 38.487 -0.050 0.000 1.107 877 N HN 0.427 nan 8.380 nan 0.000 0.519 878 F N -1.251 118.771 119.950 0.119 0.000 2.825 878 F HA -0.307 4.222 4.527 0.002 0.000 0.358 878 F C 0.456 176.277 175.800 0.036 0.000 0.639 878 F CA 0.529 58.583 58.000 0.089 0.000 1.153 878 F CB -1.457 37.572 39.000 0.049 0.000 1.610 878 F HN 0.082 nan 8.300 nan 0.000 0.305 879 M N 0.087 119.802 119.600 0.193 0.000 2.227 879 M HA 0.302 4.784 4.480 0.002 0.000 0.316 879 M C 0.605 176.943 176.300 0.063 0.000 1.144 879 M CA 0.010 55.380 55.300 0.116 0.000 1.121 879 M CB 0.927 33.606 32.600 0.131 0.000 1.440 879 M HN -0.089 nan 8.290 nan 0.000 0.473 880 S N 2.206 117.925 115.700 0.032 0.000 2.411 880 S HA 0.406 4.877 4.470 0.002 0.000 0.294 880 S C 0.217 174.829 174.600 0.020 0.000 1.115 880 S CA -0.415 57.791 58.200 0.011 0.000 1.071 880 S CB 0.283 63.476 63.200 -0.013 0.000 0.967 880 S HN 0.651 nan 8.310 nan 0.000 0.488 881 M N 2.388 121.999 119.600 0.019 0.000 2.504 881 M HA 0.327 4.809 4.480 0.002 0.000 0.370 881 M C 0.515 176.827 176.300 0.020 0.000 1.110 881 M CA -0.203 55.109 55.300 0.019 0.000 0.938 881 M CB 0.975 33.584 32.600 0.015 0.000 1.460 881 M HN 0.815 nan 8.290 nan 0.000 0.535 882 G N -0.171 108.642 108.800 0.021 0.000 2.307 882 G HA2 0.287 4.248 3.960 0.002 0.000 0.348 882 G HA3 0.287 4.248 3.960 0.002 0.000 0.348 882 G C 0.095 175.022 174.900 0.045 0.000 1.603 882 G CA -0.498 44.621 45.100 0.033 0.000 0.961 882 G HN 0.098 nan 8.290 nan 0.000 0.686 883 A N 0.451 123.312 122.820 0.067 0.000 1.892 883 A HA 0.107 4.429 4.320 0.002 0.000 0.218 883 A C 1.645 179.371 177.584 0.238 0.000 1.188 883 A CA 2.163 54.257 52.037 0.094 0.000 0.631 883 A CB -0.306 18.797 19.000 0.171 0.000 0.822 883 A HN 1.794 nan 8.150 nan 0.000 0.447 884 L N 2.284 123.687 121.223 0.300 0.000 2.334 884 L HA 0.293 4.634 4.340 0.002 0.000 0.286 884 L C 0.903 177.856 176.870 0.139 0.000 1.108 884 L CA 0.313 55.318 54.840 0.274 0.000 0.875 884 L CB -0.426 41.688 42.059 0.091 0.000 1.246 884 L HN 0.432 nan 8.230 nan 0.000 0.439 885 T N 0.027 114.657 114.554 0.127 0.000 2.795 885 T HA 0.049 4.400 4.350 0.002 0.000 0.314 885 T C 1.108 175.841 174.700 0.056 0.000 1.069 885 T CA 0.185 62.326 62.100 0.069 0.000 1.071 885 T CB 0.506 69.406 68.868 0.054 0.000 0.988 885 T HN 0.693 nan 8.240 nan 0.000 0.543 886 D N 1.229 121.639 120.400 0.016 0.000 2.117 886 D HA -0.123 4.519 4.640 0.002 0.000 0.198 886 D C 2.074 178.376 176.300 0.004 0.000 0.982 886 D CA 1.108 55.111 54.000 0.005 0.000 0.828 886 D CB -0.607 40.183 40.800 -0.017 0.000 0.967 886 D HN 0.567 nan 8.370 nan 0.000 0.464 887 L N 0.394 121.573 121.223 -0.073 0.000 2.141 887 L HA 0.065 4.406 4.340 0.002 0.000 0.209 887 L C 2.674 179.591 176.870 0.078 0.000 1.094 887 L CA 1.187 55.936 54.840 -0.151 0.000 0.763 887 L CB -0.682 40.909 42.059 -0.780 0.000 0.908 887 L HN 0.200 nan 8.230 nan 0.000 0.437 888 G N 0.008 108.909 108.800 0.169 0.000 2.470 888 G HA2 -0.225 3.736 3.960 0.002 0.000 0.220 888 G HA3 -0.225 3.736 3.960 0.002 0.000 0.220 888 G C 1.243 176.280 174.900 0.230 0.000 1.121 888 G CA 0.418 45.693 45.100 0.290 0.000 0.766 888 G HN 0.594 nan 8.290 nan 0.000 0.553 889 Q N -0.330 119.566 119.800 0.160 0.000 2.179 889 Q HA 0.188 4.530 4.340 0.002 0.000 0.213 889 Q C 0.181 176.254 176.000 0.123 0.000 0.833 889 Q CA -0.496 55.381 55.803 0.123 0.000 0.990 889 Q CB 0.144 28.924 28.738 0.069 0.000 1.132 889 Q HN 0.369 nan 8.270 nan 0.000 0.493 890 N N 1.082 119.888 118.700 0.176 0.000 2.497 890 N HA 0.060 4.801 4.740 0.002 0.000 0.268 890 N C 0.729 176.305 175.510 0.111 0.000 1.171 890 N CA -0.096 53.037 53.050 0.139 0.000 0.948 890 N CB 0.658 39.263 38.487 0.196 0.000 1.069 890 N HN 0.159 nan 8.380 nan 0.000 0.460 891 L N 2.899 124.150 121.223 0.046 0.000 2.189 891 L HA -0.194 4.147 4.340 0.002 0.000 0.214 891 L C 2.037 178.904 176.870 -0.005 0.000 1.097 891 L CA 0.559 55.416 54.840 0.030 0.000 0.764 891 L CB -0.475 41.590 42.059 0.010 0.000 0.900 891 L HN 0.675 nan 8.230 nan 0.000 0.436 892 L N -0.810 120.352 121.223 -0.102 0.000 2.079 892 L HA -0.236 4.106 4.340 0.002 0.000 0.210 892 L C 1.960 178.643 176.870 -0.312 0.000 1.081 892 L CA 1.956 56.638 54.840 -0.265 0.000 0.752 892 L CB -0.558 41.190 42.059 -0.518 0.000 0.896 892 L HN 0.150 nan 8.230 nan 0.000 0.433 893 Y N -1.258 119.074 120.300 0.054 0.000 2.457 893 Y HA 0.392 4.944 4.550 0.002 0.000 0.263 893 Y C 2.069 178.075 175.900 0.178 0.000 1.164 893 Y CA 0.331 58.488 58.100 0.096 0.000 1.274 893 Y CB -0.437 38.083 38.460 0.101 0.000 1.097 893 Y HN 0.257 nan 8.280 nan 0.000 0.523 894 A N -0.241 122.709 122.820 0.217 0.000 1.963 894 A HA 0.039 4.360 4.320 0.002 0.000 0.207 894 A C 1.742 179.394 177.584 0.113 0.000 1.243 894 A CA 0.473 52.606 52.037 0.160 0.000 0.728 894 A CB -0.110 18.960 19.000 0.118 0.000 0.895 894 A HN 0.224 nan 8.150 nan 0.000 0.467 895 N N 0.809 119.562 118.700 0.088 0.000 2.494 895 N HA -0.007 4.735 4.740 0.002 0.000 0.182 895 N C 0.310 175.849 175.510 0.049 0.000 1.076 895 N CA 1.101 54.184 53.050 0.054 0.000 0.908 895 N CB 0.084 38.589 38.487 0.030 0.000 0.967 895 N HN 0.582 nan 8.380 nan 0.000 0.449 896 S N -1.374 114.379 115.700 0.088 0.000 2.607 896 S HA 0.774 5.245 4.470 0.002 0.000 0.273 896 S C -0.917 173.717 174.600 0.056 0.000 1.148 896 S CA -1.064 57.146 58.200 0.016 0.000 0.833 896 S CB 2.273 65.418 63.200 -0.090 0.000 1.130 896 S HN 0.125 nan 8.310 nan 0.000 0.470 897 A N 0.866 123.658 122.820 -0.046 0.000 2.302 897 A HA 0.804 5.126 4.320 0.002 0.000 0.285 897 A C -0.714 176.802 177.584 -0.114 0.000 1.105 897 A CA -0.311 51.760 52.037 0.057 0.000 0.816 897 A CB -0.026 18.987 19.000 0.021 0.000 1.067 897 A HN 0.909 nan 8.150 nan 0.000 0.489 898 H N -0.940 118.346 119.070 0.360 0.000 2.895 898 H HA 0.666 5.223 4.556 0.002 0.000 0.373 898 H C -0.075 175.535 175.328 0.472 0.000 1.174 898 H CA 0.283 56.554 56.048 0.372 0.000 1.144 898 H CB 1.935 31.913 29.762 0.360 0.000 1.793 898 H HN 0.922 nan 8.280 nan 0.000 0.551 899 A N 1.609 124.689 122.820 0.434 0.000 2.312 899 A HA 0.648 4.969 4.320 0.002 0.000 0.328 899 A C -1.237 176.493 177.584 0.243 0.000 1.158 899 A CA -0.541 51.690 52.037 0.324 0.000 0.821 899 A CB 0.701 19.815 19.000 0.189 0.000 1.170 899 A HN 0.503 nan 8.150 nan 0.000 0.490 900 L N 1.204 122.525 121.223 0.163 0.000 2.365 900 L HA 0.681 5.023 4.340 0.002 0.000 0.273 900 L C -1.505 175.342 176.870 -0.038 0.000 1.000 900 L CA -0.196 54.576 54.840 -0.113 0.000 0.819 900 L CB 2.094 44.017 42.059 -0.227 0.000 1.284 900 L HN 0.629 nan 8.230 nan 0.000 0.418 901 D N 5.552 125.874 120.400 -0.129 0.000 2.646 901 D HA 0.561 5.203 4.640 0.002 0.000 0.245 901 D C -0.886 175.325 176.300 -0.149 0.000 1.099 901 D CA -0.059 53.896 54.000 -0.075 0.000 0.849 901 D CB 2.291 43.064 40.800 -0.045 0.000 1.448 901 D HN 0.517 nan 8.370 nan 0.000 0.489 902 M N 0.826 120.352 119.600 -0.124 0.000 2.457 902 M HA 0.351 4.832 4.480 0.002 0.000 0.300 902 M C -0.904 175.287 176.300 -0.181 0.000 1.141 902 M CA -0.552 54.605 55.300 -0.239 0.000 0.901 902 M CB 2.780 35.248 32.600 -0.221 0.000 1.687 902 M HN 0.045 nan 8.290 nan 0.000 0.449 903 T N 2.747 117.116 114.554 -0.308 0.000 2.906 903 T HA 0.584 4.936 4.350 0.002 0.000 0.302 903 T C -1.140 173.386 174.700 -0.290 0.000 1.002 903 T CA -0.386 61.612 62.100 -0.171 0.000 0.988 903 T CB 0.477 69.275 68.868 -0.118 0.000 0.972 903 T HN 0.259 nan 8.240 nan 0.000 0.447 904 F N 1.962 121.823 119.950 -0.149 0.000 2.421 904 F HA 0.532 5.060 4.527 0.002 0.000 0.337 904 F C 0.773 176.525 175.800 -0.079 0.000 1.105 904 F CA -1.098 56.829 58.000 -0.123 0.000 1.049 904 F CB 1.363 40.308 39.000 -0.092 0.000 1.139 904 F HN 0.454 nan 8.300 nan 0.000 0.479 905 E N 3.005 123.263 120.200 0.097 0.000 2.176 905 E HA 0.651 5.002 4.350 0.002 0.000 0.267 905 E C -1.502 175.107 176.600 0.016 0.000 0.893 905 E CA -0.742 55.677 56.400 0.031 0.000 0.761 905 E CB 1.618 31.314 29.700 -0.006 0.000 1.133 905 E HN 0.532 nan 8.360 nan 0.000 0.409 906 V N 0.565 120.447 119.914 -0.053 0.000 3.141 906 V HA 0.545 4.667 4.120 0.002 0.000 0.312 906 V C -0.646 175.379 176.094 -0.114 0.000 1.157 906 V CA -1.116 61.093 62.300 -0.151 0.000 1.041 906 V CB 1.872 33.503 31.823 -0.320 0.000 1.071 906 V HN 0.574 nan 8.190 nan 0.000 0.441 907 D N 3.136 123.455 120.400 -0.135 0.000 2.389 907 D HA 0.386 5.027 4.640 0.002 0.000 0.247 907 D C -2.368 173.881 176.300 -0.085 0.000 1.128 907 D CA -0.880 53.069 54.000 -0.086 0.000 0.884 907 D CB 1.147 41.898 40.800 -0.082 0.000 1.194 907 D HN 0.654 nan 8.370 nan 0.000 0.441 908 P HA 0.180 nan 4.420 nan 0.000 0.275 908 P C -0.658 176.626 177.300 -0.028 0.000 1.227 908 P CA -0.262 62.815 63.100 -0.038 0.000 0.781 908 P CB 0.933 32.622 31.700 -0.017 0.000 0.906 909 M N 2.009 121.593 119.600 -0.028 0.000 2.395 909 M HA 0.170 4.651 4.480 0.002 0.000 0.307 909 M C 0.149 176.449 176.300 0.001 0.000 1.091 909 M CA -0.608 54.687 55.300 -0.009 0.000 0.919 909 M CB 2.001 34.587 32.600 -0.023 0.000 1.662 909 M HN 0.249 nan 8.290 nan 0.000 0.440 910 D N 0.830 121.241 120.400 0.018 0.000 2.494 910 D HA 0.011 4.652 4.640 0.002 0.000 0.249 910 D C -0.297 176.010 176.300 0.012 0.000 1.223 910 D CA 0.066 54.077 54.000 0.018 0.000 0.865 910 D CB -0.151 40.667 40.800 0.030 0.000 0.974 910 D HN 0.637 nan 8.370 nan 0.000 0.491 911 E N -1.836 118.367 120.200 0.004 0.000 2.390 911 E HA 0.399 4.751 4.350 0.002 0.000 0.280 911 E C -3.257 173.337 176.600 -0.010 0.000 0.992 911 E CA -2.452 53.947 56.400 -0.001 0.000 0.790 911 E CB 0.940 30.644 29.700 0.006 0.000 1.248 911 E HN -0.224 nan 8.360 nan 0.000 0.447 912 P HA 0.065 nan 4.420 nan 0.000 0.263 912 P C -0.641 176.648 177.300 -0.018 0.000 1.195 912 P CA 0.467 63.556 63.100 -0.018 0.000 0.762 912 P CB 0.707 32.394 31.700 -0.022 0.000 0.799 913 T N 0.912 115.454 114.554 -0.020 0.000 2.773 913 T HA 0.805 5.156 4.350 0.002 0.000 0.278 913 T C -0.792 173.904 174.700 -0.007 0.000 1.011 913 T CA -0.902 61.186 62.100 -0.020 0.000 1.014 913 T CB 0.883 69.726 68.868 -0.042 0.000 1.293 913 T HN 0.111 nan 8.240 nan 0.000 0.554 914 L N 0.641 121.871 121.223 0.011 0.000 2.455 914 L HA 0.572 4.913 4.340 0.002 0.000 0.264 914 L C -1.389 175.537 176.870 0.093 0.000 0.968 914 L CA -1.214 53.652 54.840 0.043 0.000 0.827 914 L CB 2.283 44.359 42.059 0.028 0.000 1.317 914 L HN 0.602 nan 8.230 nan 0.000 0.407 915 L N 3.081 124.373 121.223 0.115 0.000 2.260 915 L HA 0.305 4.647 4.340 0.002 0.000 0.289 915 L C -0.980 176.057 176.870 0.278 0.000 1.057 915 L CA 0.300 55.215 54.840 0.126 0.000 0.811 915 L CB 0.402 42.425 42.059 -0.059 0.000 1.184 915 L HN 0.492 nan 8.230 nan 0.000 0.429 916 Y N 5.877 126.266 120.300 0.148 0.000 2.434 916 Y HA 0.590 5.141 4.550 0.002 0.000 0.341 916 Y C -0.971 175.020 175.900 0.151 0.000 0.965 916 Y CA -1.139 57.066 58.100 0.174 0.000 1.205 916 Y CB 1.037 39.613 38.460 0.195 0.000 1.121 916 Y HN 0.386 nan 8.280 nan 0.000 0.507 917 V N 7.494 127.630 119.914 0.369 0.000 2.417 917 V HA 0.268 4.389 4.120 0.002 0.000 0.291 917 V C -0.334 175.782 176.094 0.036 0.000 1.024 917 V CA -0.880 61.478 62.300 0.096 0.000 0.861 917 V CB 1.531 33.409 31.823 0.091 0.000 0.985 917 V HN 0.624 nan 8.190 nan 0.000 0.436 918 L N 5.235 126.350 121.223 -0.179 0.000 2.265 918 L HA 0.512 4.853 4.340 0.002 0.000 0.289 918 L C -0.679 176.094 176.870 -0.163 0.000 1.033 918 L CA 0.022 54.785 54.840 -0.128 0.000 0.814 918 L CB 0.932 42.844 42.059 -0.245 0.000 1.203 918 L HN 0.520 nan 8.230 nan 0.000 0.423 919 F N 2.044 121.970 119.950 -0.040 0.000 2.335 919 F HA 0.234 4.763 4.527 0.002 0.000 0.365 919 F C 1.117 176.841 175.800 -0.126 0.000 1.122 919 F CA -0.560 57.410 58.000 -0.050 0.000 1.151 919 F CB 0.598 39.379 39.000 -0.365 0.000 1.282 919 F HN 0.434 nan 8.300 nan 0.000 0.513 920 E N 3.514 123.642 120.200 -0.121 0.000 2.351 920 E HA 0.311 4.663 4.350 0.002 0.000 0.266 920 E C 0.006 176.469 176.600 -0.230 0.000 1.031 920 E CA -0.150 56.092 56.400 -0.265 0.000 0.911 920 E CB 0.902 30.357 29.700 -0.407 0.000 0.986 920 E HN 0.503 nan 8.360 nan 0.000 0.446 921 V N 0.163 119.961 119.914 -0.193 0.000 3.109 921 V HA 0.581 4.703 4.120 0.002 0.000 0.311 921 V C -1.200 174.705 176.094 -0.315 0.000 1.389 921 V CA -1.081 61.163 62.300 -0.093 0.000 1.034 921 V CB 1.069 32.960 31.823 0.113 0.000 1.105 921 V HN 0.414 nan 8.190 nan 0.000 0.477 922 F N 1.004 120.949 119.950 -0.008 0.000 2.426 922 F HA 0.690 5.219 4.527 0.002 0.000 0.348 922 F C -0.289 175.499 175.800 -0.019 0.000 1.124 922 F CA -0.141 57.840 58.000 -0.032 0.000 1.008 922 F CB 1.517 40.512 39.000 -0.008 0.000 1.139 922 F HN 0.583 nan 8.300 nan 0.000 0.452 923 D N 4.075 124.493 120.400 0.029 0.000 2.462 923 D HA 0.458 5.100 4.640 0.002 0.000 0.249 923 D C -1.019 175.268 176.300 -0.022 0.000 1.117 923 D CA 0.022 54.012 54.000 -0.017 0.000 0.900 923 D CB 1.035 41.706 40.800 -0.214 0.000 1.039 923 D HN 0.153 nan 8.370 nan 0.000 0.516 924 V N 1.904 121.922 119.914 0.173 0.000 3.019 924 V HA 0.724 4.846 4.120 0.002 0.000 0.317 924 V C -0.062 176.184 176.094 0.253 0.000 1.094 924 V CA -0.868 61.562 62.300 0.217 0.000 1.000 924 V CB 2.352 34.266 31.823 0.152 0.000 1.060 924 V HN 0.231 nan 8.190 nan 0.000 0.443 925 V N 1.792 121.814 119.914 0.180 0.000 2.851 925 V HA 0.543 4.664 4.120 0.002 0.000 0.307 925 V C -0.574 175.508 176.094 -0.020 0.000 1.129 925 V CA -0.736 61.526 62.300 -0.064 0.000 0.932 925 V CB 2.061 33.697 31.823 -0.312 0.000 1.024 925 V HN 0.878 nan 8.190 nan 0.000 0.426 926 R N 2.698 123.163 120.500 -0.058 0.000 2.437 926 R HA 0.786 5.127 4.340 0.002 0.000 0.310 926 R C -1.664 174.635 176.300 -0.001 0.000 0.955 926 R CA -0.368 55.715 56.100 -0.030 0.000 0.851 926 R CB 1.928 32.211 30.300 -0.029 0.000 1.161 926 R HN 0.575 nan 8.270 nan 0.000 0.446 927 V N 4.630 124.569 119.914 0.043 0.000 2.435 927 V HA 0.312 4.433 4.120 0.002 0.000 0.290 927 V C -0.115 176.061 176.094 0.137 0.000 1.030 927 V CA -0.625 61.728 62.300 0.089 0.000 0.881 927 V CB 1.289 33.188 31.823 0.126 0.000 0.983 927 V HN 0.721 nan 8.190 nan 0.000 0.445 928 H N 5.484 124.567 119.070 0.023 0.000 2.489 928 H HA 0.558 5.116 4.556 0.002 0.000 0.343 928 H C -0.555 174.792 175.328 0.030 0.000 1.086 928 H CA -0.932 55.126 56.048 0.016 0.000 1.198 928 H CB 1.382 31.152 29.762 0.015 0.000 1.490 928 H HN 0.535 nan 8.280 nan 0.000 0.504 929 R N 5.680 125.995 120.500 -0.309 0.000 2.681 929 R HA 0.148 4.490 4.340 0.002 0.000 0.277 929 R C -2.038 174.023 176.300 -0.398 0.000 1.563 929 R CA -1.540 54.414 56.100 -0.243 0.000 1.673 929 R CB 1.230 31.494 30.300 -0.059 0.000 1.258 929 R HN 0.576 nan 8.270 nan 0.000 0.650 930 P HA -0.158 nan 4.420 nan 0.000 0.216 930 P C -0.323 176.514 177.300 -0.773 0.000 1.150 930 P CA 1.541 64.220 63.100 -0.702 0.000 0.843 930 P CB 0.411 31.771 31.700 -0.566 0.000 0.787 931 H N -3.375 115.647 119.070 -0.081 0.000 2.977 931 H HA 0.421 4.979 4.556 0.002 0.000 0.350 931 H C -0.037 175.280 175.328 -0.019 0.000 1.238 931 H CA -1.065 54.962 56.048 -0.034 0.000 1.124 931 H CB 0.954 30.703 29.762 -0.022 0.000 1.866 931 H HN -0.194 nan 8.280 nan 0.000 0.550 932 R N 0.751 121.325 120.500 0.123 0.000 2.504 932 R HA 0.146 4.488 4.340 0.002 0.000 0.291 932 R C 0.488 176.787 176.300 -0.002 0.000 0.974 932 R CA 1.443 57.573 56.100 0.051 0.000 1.077 932 R CB -0.432 29.885 30.300 0.028 0.000 0.926 932 R HN 1.063 nan 8.270 nan 0.000 0.407 933 G N 2.473 111.225 108.800 -0.080 0.000 2.168 933 G HA2 -0.253 3.709 3.960 0.002 0.000 0.257 933 G HA3 -0.253 3.709 3.960 0.002 0.000 0.257 933 G C -0.343 174.509 174.900 -0.081 0.000 0.997 933 G CA 0.255 45.193 45.100 -0.270 0.000 0.708 933 G HN 0.510 nan 8.290 nan 0.000 0.520 934 V N 1.210 121.165 119.914 0.068 0.000 2.487 934 V HA 0.675 4.796 4.120 0.002 0.000 0.298 934 V C 0.227 176.406 176.094 0.140 0.000 1.028 934 V CA -0.739 61.623 62.300 0.104 0.000 0.860 934 V CB 1.856 33.741 31.823 0.104 0.000 0.991 934 V HN 0.297 nan 8.190 nan 0.000 0.427 935 I N 4.401 125.067 120.570 0.160 0.000 2.439 935 I HA 0.518 4.690 4.170 0.002 0.000 0.285 935 I C -0.416 175.777 176.117 0.127 0.000 1.021 935 I CA -0.438 60.944 61.300 0.138 0.000 1.091 935 I CB 1.989 40.080 38.000 0.152 0.000 1.242 935 I HN 0.601 nan 8.210 nan 0.000 0.439 936 E N 4.562 124.837 120.200 0.126 0.000 2.199 936 E HA 0.576 4.927 4.350 0.002 0.000 0.269 936 E C -0.740 175.948 176.600 0.146 0.000 0.899 936 E CA -0.787 55.703 56.400 0.150 0.000 0.772 936 E CB 2.606 32.416 29.700 0.183 0.000 1.155 936 E HN 0.628 nan 8.360 nan 0.000 0.408 937 T N -1.637 113.002 114.554 0.142 0.000 2.893 937 T HA 0.606 4.957 4.350 0.002 0.000 0.291 937 T C -0.576 174.195 174.700 0.118 0.000 1.028 937 T CA -0.792 61.366 62.100 0.096 0.000 0.995 937 T CB 1.370 70.284 68.868 0.077 0.000 1.051 937 T HN 0.147 nan 8.240 nan 0.000 0.470 938 V N 2.752 122.688 119.914 0.037 0.000 2.443 938 V HA 0.418 4.539 4.120 0.002 0.000 0.293 938 V C -1.350 174.778 176.094 0.056 0.000 1.021 938 V CA -0.904 61.452 62.300 0.093 0.000 0.848 938 V CB 0.780 32.637 31.823 0.056 0.000 0.998 938 V HN 0.921 nan 8.190 nan 0.000 0.424 939 Y N 4.999 125.373 120.300 0.124 0.000 2.342 939 Y HA 0.753 5.304 4.550 0.002 0.000 0.334 939 Y C -0.179 175.802 175.900 0.135 0.000 1.067 939 Y CA -0.686 57.511 58.100 0.160 0.000 1.128 939 Y CB 1.928 40.498 38.460 0.183 0.000 1.200 939 Y HN 0.531 nan 8.280 nan 0.000 0.464 940 L N 4.695 126.094 121.223 0.293 0.000 2.516 940 L HA 0.525 4.866 4.340 0.002 0.000 0.267 940 L C -1.415 175.583 176.870 0.212 0.000 0.957 940 L CA -0.746 54.216 54.840 0.203 0.000 0.860 940 L CB 1.645 43.781 42.059 0.128 0.000 1.265 940 L HN 0.659 nan 8.230 nan 0.000 0.403 941 R N 3.375 123.989 120.500 0.190 0.000 2.435 941 R HA 0.733 5.075 4.340 0.002 0.000 0.308 941 R C -1.498 174.902 176.300 0.165 0.000 0.975 941 R CA 0.004 56.216 56.100 0.186 0.000 0.867 941 R CB 1.263 31.673 30.300 0.183 0.000 1.171 941 R HN 0.826 nan 8.270 nan 0.000 0.470 942 T N 2.184 116.853 114.554 0.192 0.000 2.921 942 T HA 0.505 4.857 4.350 0.002 0.000 0.297 942 T C -2.798 172.059 174.700 0.261 0.000 1.013 942 T CA -1.980 60.223 62.100 0.173 0.000 0.990 942 T CB 2.456 71.391 68.868 0.113 0.000 1.023 942 T HN 0.235 nan 8.240 nan 0.000 0.447 943 P HA 0.454 nan 4.420 nan 0.000 0.296 943 P C -0.370 177.056 177.300 0.210 0.000 1.295 943 P CA -0.477 62.693 63.100 0.115 0.000 0.754 943 P CB -0.075 31.635 31.700 0.016 0.000 1.311 944 F N -2.961 116.863 119.950 -0.210 0.000 2.905 944 F HA -0.196 4.333 4.527 0.002 0.000 0.291 944 F C 0.284 176.041 175.800 -0.072 0.000 1.002 944 F CA 0.205 58.099 58.000 -0.177 0.000 0.978 944 F CB -2.701 36.203 39.000 -0.159 0.000 1.036 944 F HN -0.056 nan 8.300 nan 0.000 0.820 945 S N 0.250 115.958 115.700 0.014 0.000 2.572 945 S HA 0.602 5.074 4.470 0.002 0.000 0.279 945 S C 0.901 175.530 174.600 0.049 0.000 1.341 945 S CA -0.341 57.887 58.200 0.047 0.000 1.043 945 S CB 1.103 64.310 63.200 0.012 0.000 0.887 945 S HN 0.736 nan 8.310 nan 0.000 0.516 946 A N 0.000 122.864 122.820 0.074 0.000 2.254 946 A HA 0.000 4.321 4.320 0.002 0.000 0.244 946 A CA 0.000 52.073 52.037 0.060 0.000 0.836 946 A CB 0.000 19.038 19.000 0.064 0.000 0.831 946 A HN 0.000 nan 8.150 nan 0.000 0.486