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 1ii0_1_A DATA FIRST_RESID 1 DATA SEQUENCE MQFLQNIPPY LFFTGKGGVG KTSISCATAI RLAEQGKRVL LVSTDPASNV DATA SEQUENCE GQVFSQTIGN TIQAIASVPG LSALEIDPQA AAQQYRARIV DPIKGVLPDD DATA SEQUENCE VVSSINEQLS GACTTEIAAF DEFTGLLTDA SLLTRFDHII FDTAPTGHTI DATA SEQUENCE RLLQLPGAWS SFIDSNPEGA SCLGPMAGLE KQREQYAYAV EALSDPKRTR DATA SEQUENCE LVLVARLQKS TLQEVARTHL ELAAIGLKNQ YLVINGVLPK TEAANDTLAA DATA SEQUENCE AIWEREQEAL ANLPADLAGL PTDTLFLQPV NMVGVSALSR LLSTQPXXXX DATA SEQUENCE XXXXXXXXRP DIPSLSALVD DIARNEHGLI MLMGKGGVGK TTMAAAIAVR DATA SEQUENCE LADMGFDVHL TTSDPAXXXX XXXXXXLNNL QVSRIDPHEE TERYRQHVLE DATA SEQUENCE TKGKELDEAG KRLLEEDLRS PCTEEIAVFQ AFSRVIREAG KRFVVMDTAP DATA SEQUENCE TGHTLLLLDA TXXXXXXXXX XXXXXXXXTT PMMLLQDPER TKVLLVTLPE DATA SEQUENCE TTPVLEAANL QADLERAGIH PWGWIINNSL SIADTRSPLL RMRAQQELPQ DATA SEQUENCE IESVKRQHAS RVALVPVLAS EPTGIDKLKQ LAGHHHHHH 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.254 176.300 -0.076 0.000 1.140 1 M CA 0.000 55.267 55.300 -0.056 0.000 0.988 1 M CB 0.000 32.474 32.600 -0.209 0.000 1.302 2 Q N 1.279 121.138 119.800 0.098 0.000 2.124 2 Q HA -0.129 4.210 4.340 -0.000 0.000 0.202 2 Q C 1.479 177.582 176.000 0.171 0.000 0.977 2 Q CA 2.192 58.108 55.803 0.188 0.000 0.850 2 Q CB -0.256 28.663 28.738 0.303 0.000 0.901 2 Q HN 0.743 nan 8.270 nan 0.000 0.429 3 F N -0.754 119.245 119.950 0.082 0.000 2.408 3 F HA -0.069 4.458 4.527 -0.000 0.000 0.300 3 F C 1.310 176.974 175.800 -0.226 0.000 1.090 3 F CA 0.512 58.376 58.000 -0.226 0.000 1.427 3 F CB -0.015 38.950 39.000 -0.058 0.000 1.070 3 F HN -0.031 nan 8.300 nan 0.000 0.549 4 L N 0.254 121.024 121.223 -0.755 0.000 2.446 4 L HA 0.149 4.489 4.340 -0.000 0.000 0.219 4 L C 0.642 177.327 176.870 -0.308 0.000 1.116 4 L CA 0.600 55.069 54.840 -0.617 0.000 0.844 4 L CB -1.241 40.424 42.059 -0.656 0.000 0.970 4 L HN 0.193 nan 8.230 nan 0.000 0.457 5 Q N 0.571 120.245 119.800 -0.210 0.000 2.304 5 Q HA 0.110 4.450 4.340 -0.000 0.000 0.260 5 Q C 0.083 176.033 176.000 -0.084 0.000 0.965 5 Q CA -0.081 55.660 55.803 -0.104 0.000 0.898 5 Q CB -0.014 28.706 28.738 -0.029 0.000 1.196 5 Q HN 0.229 nan 8.270 nan 0.000 0.402 6 N N 0.862 119.534 118.700 -0.046 0.000 2.705 6 N HA -0.210 4.530 4.740 -0.000 0.000 0.255 6 N C -0.787 174.713 175.510 -0.017 0.000 1.008 6 N CA 0.170 53.217 53.050 -0.005 0.000 0.742 6 N CB -1.164 37.335 38.487 0.020 0.000 0.906 6 N HN 0.549 nan 8.380 nan 0.000 0.541 7 I N 1.025 121.556 120.570 -0.064 0.000 2.618 7 I HA 0.126 4.296 4.170 -0.000 0.000 0.284 7 I C -1.148 175.038 176.117 0.115 0.000 1.146 7 I CA -1.407 59.839 61.300 -0.090 0.000 1.425 7 I CB 0.296 38.106 38.000 -0.318 0.000 1.383 7 I HN 0.084 nan 8.210 nan 0.000 0.562 8 P HA 0.153 nan 4.420 nan 0.000 0.286 8 P C -2.197 175.182 177.300 0.132 0.000 1.293 8 P CA -1.169 61.990 63.100 0.098 0.000 0.770 8 P CB -0.184 31.562 31.700 0.076 0.000 1.206 9 P HA -0.092 nan 4.420 nan 0.000 0.222 9 P C -0.247 176.842 177.300 -0.352 0.000 1.147 9 P CA 1.620 64.535 63.100 -0.307 0.000 0.790 9 P CB -0.060 31.296 31.700 -0.572 0.000 0.780 10 Y N -0.002 120.368 120.300 0.116 0.000 2.328 10 Y HA 0.531 5.081 4.550 -0.000 0.000 0.336 10 Y C 0.165 176.097 175.900 0.053 0.000 0.960 10 Y CA -1.297 56.860 58.100 0.094 0.000 1.134 10 Y CB 1.407 39.968 38.460 0.169 0.000 1.166 10 Y HN -0.252 nan 8.280 nan 0.000 0.464 11 L N 4.785 126.055 121.223 0.079 0.000 2.381 11 L HA 0.710 5.050 4.340 -0.000 0.000 0.274 11 L C -1.910 174.868 176.870 -0.153 0.000 0.988 11 L CA -0.677 54.146 54.840 -0.027 0.000 0.824 11 L CB 0.662 42.679 42.059 -0.070 0.000 1.263 11 L HN 0.395 nan 8.230 nan 0.000 0.410 12 F N 4.464 124.359 119.950 -0.091 0.000 2.532 12 F HA 0.591 5.118 4.527 -0.000 0.000 0.321 12 F C -0.664 174.990 175.800 -0.244 0.000 1.089 12 F CA -0.302 57.665 58.000 -0.055 0.000 0.926 12 F CB 1.769 40.674 39.000 -0.159 0.000 1.168 12 F HN 0.210 nan 8.300 nan 0.000 0.459 13 F N 0.948 121.027 119.950 0.215 0.000 2.482 13 F HA 0.568 5.095 4.527 -0.000 0.000 0.331 13 F C 0.282 176.149 175.800 0.111 0.000 1.115 13 F CA -0.624 57.442 58.000 0.110 0.000 0.955 13 F CB 2.155 41.189 39.000 0.057 0.000 1.136 13 F HN 0.304 nan 8.300 nan 0.000 0.452 14 T N 1.696 116.375 114.554 0.209 0.000 2.907 14 T HA 0.877 5.227 4.350 -0.000 0.000 0.292 14 T C -0.541 174.224 174.700 0.109 0.000 1.043 14 T CA -0.325 61.860 62.100 0.141 0.000 1.003 14 T CB 1.570 70.485 68.868 0.077 0.000 1.084 14 T HN 1.068 nan 8.240 nan 0.000 0.483 15 G N 2.399 111.250 108.800 0.085 0.000 2.347 15 G HA2 0.347 4.307 3.960 -0.000 0.000 0.303 15 G HA3 0.347 4.307 3.960 -0.000 0.000 0.303 15 G C -1.066 173.862 174.900 0.047 0.000 1.481 15 G CA -0.491 44.643 45.100 0.057 0.000 0.914 15 G HN 0.928 nan 8.290 nan 0.000 0.638 16 K N -0.274 120.143 120.400 0.029 0.000 2.285 16 K HA 0.479 4.799 4.320 -0.000 0.000 0.255 16 K C 0.813 177.426 176.600 0.022 0.000 1.000 16 K CA 0.301 56.600 56.287 0.021 0.000 0.887 16 K CB 0.288 32.794 32.500 0.009 0.000 0.997 16 K HN 1.167 nan 8.250 nan 0.000 0.510 17 G N -0.475 108.335 108.800 0.016 0.000 2.313 17 G HA2 0.351 4.311 3.960 -0.000 0.000 0.250 17 G HA3 0.351 4.311 3.960 -0.000 0.000 0.250 17 G C 0.904 175.810 174.900 0.011 0.000 1.281 17 G CA -0.130 44.979 45.100 0.015 0.000 0.917 17 G HN 1.165 nan 8.290 nan 0.000 0.501 18 G N 0.357 109.164 108.800 0.012 0.000 2.199 18 G HA2 -0.262 3.697 3.960 -0.000 0.000 0.254 18 G HA3 -0.262 3.697 3.960 -0.000 0.000 0.254 18 G C 1.373 176.275 174.900 0.003 0.000 0.982 18 G CA 0.821 45.926 45.100 0.008 0.000 0.632 18 G HN 1.878 nan 8.290 nan 0.000 0.529 19 V N -1.900 118.016 119.914 0.003 0.000 2.759 19 V HA 0.438 4.558 4.120 -0.000 0.000 0.256 19 V C 2.032 178.116 176.094 -0.017 0.000 1.080 19 V CA 1.973 64.271 62.300 -0.003 0.000 1.101 19 V CB -0.507 31.317 31.823 0.002 0.000 0.698 19 V HN 2.313 nan 8.190 nan 0.000 0.477 20 G N -0.309 108.477 108.800 -0.023 0.000 2.147 20 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.128 20 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.128 20 G C 0.527 175.369 174.900 -0.096 0.000 1.026 20 G CA 0.224 45.293 45.100 -0.052 0.000 0.693 20 G HN 0.447 nan 8.290 nan 0.000 0.499 21 K N -0.123 120.241 120.400 -0.060 0.000 2.001 21 K HA -0.123 4.197 4.320 -0.000 0.000 0.214 21 K C 2.579 179.054 176.600 -0.208 0.000 1.050 21 K CA 2.151 58.386 56.287 -0.086 0.000 0.934 21 K CB -0.358 32.172 32.500 0.051 0.000 0.718 21 K HN 0.331 nan 8.250 nan 0.000 0.443 22 T N 0.850 115.342 114.554 -0.103 0.000 2.746 22 T HA -0.119 4.231 4.350 -0.000 0.000 0.267 22 T C 2.142 176.757 174.700 -0.142 0.000 1.039 22 T CA 1.558 63.599 62.100 -0.098 0.000 1.142 22 T CB -0.230 68.621 68.868 -0.029 0.000 0.866 22 T HN 0.157 nan 8.240 nan 0.000 0.444 23 S N 1.389 117.010 115.700 -0.132 0.000 2.353 23 S HA -0.056 4.414 4.470 -0.000 0.000 0.222 23 S C 2.064 176.565 174.600 -0.166 0.000 1.035 23 S CA 1.179 59.305 58.200 -0.125 0.000 1.025 23 S CB -0.509 62.635 63.200 -0.093 0.000 0.902 23 S HN 0.443 nan 8.310 nan 0.000 0.440 24 I N 1.344 121.759 120.570 -0.258 0.000 2.361 24 I HA -0.161 4.009 4.170 -0.000 0.000 0.251 24 I C 2.402 178.223 176.117 -0.493 0.000 1.133 24 I CA 0.766 61.865 61.300 -0.334 0.000 1.413 24 I CB -0.445 37.284 38.000 -0.452 0.000 1.073 24 I HN 0.203 nan 8.210 nan 0.000 0.424 25 S N 0.197 115.504 115.700 -0.655 0.000 2.348 25 S HA -0.185 4.285 4.470 -0.000 0.000 0.221 25 S C 2.213 176.748 174.600 -0.109 0.000 1.033 25 S CA 1.553 59.467 58.200 -0.477 0.000 1.010 25 S CB -0.386 62.643 63.200 -0.285 0.000 0.891 25 S HN 0.497 nan 8.310 nan 0.000 0.442 26 C N 1.754 121.029 119.300 -0.042 0.000 2.432 26 C HA -0.001 4.458 4.460 -0.000 0.000 0.277 26 C C 3.081 178.141 174.990 0.117 0.000 1.249 26 C CA 0.483 59.577 59.018 0.127 0.000 1.725 26 C CB -1.581 26.207 27.740 0.079 0.000 2.028 26 C HN 0.673 nan 8.230 nan 0.000 0.477 27 A N 0.235 123.071 122.820 0.027 0.000 1.940 27 A HA -0.190 4.130 4.320 -0.000 0.000 0.219 27 A C 2.182 179.812 177.584 0.076 0.000 1.176 27 A CA 2.563 54.629 52.037 0.049 0.000 0.631 27 A CB -1.064 17.956 19.000 0.034 0.000 0.814 27 A HN 0.587 nan 8.150 nan 0.000 0.446 28 T N 0.121 114.730 114.554 0.091 0.000 2.777 28 T HA 0.043 4.393 4.350 -0.000 0.000 0.266 28 T C 2.253 176.994 174.700 0.068 0.000 1.040 28 T CA 1.402 63.574 62.100 0.120 0.000 1.141 28 T CB -0.445 68.590 68.868 0.279 0.000 0.868 28 T HN 0.602 nan 8.240 nan 0.000 0.444 29 A N 1.353 124.218 122.820 0.075 0.000 1.908 29 A HA -0.089 4.231 4.320 -0.000 0.000 0.218 29 A C 2.254 179.869 177.584 0.053 0.000 1.181 29 A CA 1.447 53.514 52.037 0.049 0.000 0.627 29 A CB -0.826 18.201 19.000 0.044 0.000 0.818 29 A HN 0.549 nan 8.150 nan 0.000 0.445 30 I N -1.259 119.368 120.570 0.096 0.000 2.163 30 I HA -0.233 3.937 4.170 -0.000 0.000 0.240 30 I C 2.624 178.772 176.117 0.052 0.000 1.081 30 I CA 1.678 63.034 61.300 0.094 0.000 1.353 30 I CB -0.382 37.699 38.000 0.136 0.000 1.054 30 I HN 0.298 nan 8.210 nan 0.000 0.407 31 R N 1.833 122.355 120.500 0.037 0.000 2.113 31 R HA -0.181 4.159 4.340 -0.000 0.000 0.244 31 R C 2.093 178.392 176.300 -0.001 0.000 1.142 31 R CA 1.926 58.030 56.100 0.007 0.000 0.953 31 R CB -0.983 29.304 30.300 -0.021 0.000 0.860 31 R HN 0.323 nan 8.270 nan 0.000 0.438 32 L N -0.349 120.870 121.223 -0.006 0.000 2.046 32 L HA -0.083 4.257 4.340 -0.000 0.000 0.208 32 L C 2.561 179.454 176.870 0.039 0.000 1.077 32 L CA 1.343 56.185 54.840 0.004 0.000 0.747 32 L CB -0.728 41.324 42.059 -0.012 0.000 0.896 32 L HN 0.373 nan 8.230 nan 0.000 0.432 33 A N 0.128 122.970 122.820 0.038 0.000 1.902 33 A HA -0.227 4.093 4.320 -0.000 0.000 0.217 33 A C 2.099 179.700 177.584 0.029 0.000 1.181 33 A CA 1.689 53.748 52.037 0.037 0.000 0.623 33 A CB -0.477 18.539 19.000 0.026 0.000 0.818 33 A HN 0.461 nan 8.150 nan 0.000 0.443 34 E N -0.390 119.826 120.200 0.026 0.000 2.409 34 E HA -0.143 4.207 4.350 -0.000 0.000 0.198 34 E C 1.658 178.267 176.600 0.016 0.000 1.024 34 E CA 0.724 57.137 56.400 0.021 0.000 0.861 34 E CB -0.085 29.628 29.700 0.022 0.000 0.788 34 E HN 0.727 nan 8.360 nan 0.000 0.521 35 Q N -0.751 119.060 119.800 0.017 0.000 2.360 35 Q HA 0.089 4.429 4.340 -0.000 0.000 0.202 35 Q C 0.855 176.866 176.000 0.019 0.000 0.915 35 Q CA 0.394 56.206 55.803 0.015 0.000 0.943 35 Q CB 0.958 29.704 28.738 0.013 0.000 1.064 35 Q HN 0.364 nan 8.270 nan 0.000 0.511 36 G N 1.052 109.865 108.800 0.021 0.000 2.144 36 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.218 36 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.218 36 G C -0.054 174.859 174.900 0.023 0.000 0.988 36 G CA -0.339 44.771 45.100 0.016 0.000 0.659 36 G HN -0.010 nan 8.290 nan 0.000 0.522 37 K N 0.134 120.562 120.400 0.046 0.000 2.098 37 K HA 0.539 4.859 4.320 -0.000 0.000 0.257 37 K C 0.603 177.247 176.600 0.073 0.000 0.999 37 K CA -0.600 55.728 56.287 0.068 0.000 0.924 37 K CB 0.859 33.453 32.500 0.156 0.000 1.028 37 K HN 0.327 nan 8.250 nan 0.000 0.466 38 R N 0.802 121.347 120.500 0.075 0.000 2.229 38 R HA 0.360 4.700 4.340 -0.000 0.000 0.332 38 R C -0.552 175.905 176.300 0.261 0.000 0.989 38 R CA -0.526 55.651 56.100 0.129 0.000 0.842 38 R CB 0.911 31.224 30.300 0.022 0.000 1.119 38 R HN 0.174 nan 8.270 nan 0.000 0.456 39 V N 4.551 124.609 119.914 0.239 0.000 2.604 39 V HA 0.378 4.498 4.120 -0.000 0.000 0.305 39 V C -0.358 175.680 176.094 -0.093 0.000 1.043 39 V CA -0.897 61.472 62.300 0.115 0.000 0.888 39 V CB 2.204 34.061 31.823 0.056 0.000 0.995 39 V HN 0.619 nan 8.190 nan 0.000 0.429 40 L N 5.156 126.138 121.223 -0.402 0.000 2.316 40 L HA 0.556 4.896 4.340 -0.000 0.000 0.280 40 L C -1.057 175.560 176.870 -0.422 0.000 1.006 40 L CA -0.723 53.710 54.840 -0.679 0.000 0.836 40 L CB 1.451 42.754 42.059 -1.260 0.000 1.221 40 L HN 0.599 nan 8.230 nan 0.000 0.418 41 L N 6.258 127.292 121.223 -0.315 0.000 2.265 41 L HA 0.377 4.717 4.340 -0.000 0.000 0.288 41 L C -0.679 176.033 176.870 -0.262 0.000 1.058 41 L CA 0.018 54.714 54.840 -0.239 0.000 0.809 41 L CB 1.541 43.510 42.059 -0.150 0.000 1.179 41 L HN 0.299 nan 8.230 nan 0.000 0.429 42 V N 4.739 124.459 119.914 -0.323 0.000 2.311 42 V HA 0.322 4.442 4.120 -0.000 0.000 0.275 42 V C 0.388 176.432 176.094 -0.082 0.000 1.022 42 V CA -0.438 61.694 62.300 -0.279 0.000 0.830 42 V CB 0.936 32.412 31.823 -0.578 0.000 1.012 42 V HN 0.862 nan 8.190 nan 0.000 0.452 43 S N 3.651 119.336 115.700 -0.025 0.000 2.474 43 S HA 0.263 4.733 4.470 -0.000 0.000 0.276 43 S C 1.029 175.673 174.600 0.074 0.000 1.227 43 S CA 0.181 58.404 58.200 0.038 0.000 1.050 43 S CB 0.593 63.812 63.200 0.031 0.000 0.939 43 S HN 0.989 nan 8.310 nan 0.000 0.490 44 T N 0.691 115.320 114.554 0.125 0.000 3.200 44 T HA 0.296 4.646 4.350 -0.000 0.000 0.284 44 T C -0.414 174.345 174.700 0.098 0.000 1.009 44 T CA -0.602 61.577 62.100 0.132 0.000 0.907 44 T CB -0.062 68.961 68.868 0.259 0.000 1.120 44 T HN 0.433 nan 8.240 nan 0.000 0.534 45 D N 3.610 124.058 120.400 0.080 0.000 2.302 45 D HA 0.251 4.891 4.640 -0.000 0.000 0.248 45 D C -1.113 175.212 176.300 0.041 0.000 1.094 45 D CA -2.121 51.916 54.000 0.062 0.000 0.897 45 D CB 1.876 42.709 40.800 0.056 0.000 1.200 45 D HN 0.043 nan 8.370 nan 0.000 0.429 46 P HA -0.181 nan 4.420 nan 0.000 0.216 46 P C 0.078 177.394 177.300 0.025 0.000 1.154 46 P CA 1.324 64.438 63.100 0.023 0.000 0.865 46 P CB 0.365 32.076 31.700 0.018 0.000 0.789 47 A N -0.668 122.170 122.820 0.030 0.000 3.214 47 A HA 0.360 4.680 4.320 -0.000 0.000 0.304 47 A C 0.402 178.005 177.584 0.032 0.000 0.969 47 A CA -0.375 51.681 52.037 0.031 0.000 0.986 47 A CB -0.413 18.608 19.000 0.034 0.000 1.073 47 A HN 0.091 nan 8.150 nan 0.000 0.487 48 S N 0.667 116.387 115.700 0.033 0.000 2.691 48 S HA -0.157 4.313 4.470 -0.000 0.000 0.320 48 S C 1.126 175.747 174.600 0.035 0.000 1.241 48 S CA 1.348 59.570 58.200 0.037 0.000 1.028 48 S CB -0.164 63.058 63.200 0.037 0.000 0.726 48 S HN 0.898 nan 8.310 nan 0.000 0.488 49 N N 2.153 120.874 118.700 0.035 0.000 2.118 49 N HA 0.114 4.854 4.740 -0.000 0.000 0.226 49 N C 0.871 176.404 175.510 0.038 0.000 1.305 49 N CA -0.232 52.836 53.050 0.029 0.000 0.890 49 N CB 0.195 38.692 38.487 0.016 0.000 1.118 49 N HN 0.333 nan 8.380 nan 0.000 0.511 50 V N 0.934 120.887 119.914 0.064 0.000 2.490 50 V HA -0.114 4.006 4.120 -0.000 0.000 0.250 50 V C 2.591 178.803 176.094 0.196 0.000 1.061 50 V CA 2.306 64.683 62.300 0.128 0.000 1.064 50 V CB -0.881 31.028 31.823 0.143 0.000 0.670 50 V HN 0.610 nan 8.190 nan 0.000 0.461 51 G N -1.167 107.709 108.800 0.126 0.000 2.408 51 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.217 51 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.217 51 G C 1.504 176.471 174.900 0.111 0.000 1.150 51 G CA 0.929 46.103 45.100 0.124 0.000 0.776 51 G HN 0.537 nan 8.290 nan 0.000 0.542 52 Q N 0.375 120.213 119.800 0.063 0.000 1.993 52 Q HA -0.133 4.207 4.340 -0.000 0.000 0.202 52 Q C 2.761 178.758 176.000 -0.004 0.000 0.984 52 Q CA 2.491 58.311 55.803 0.028 0.000 0.837 52 Q CB -0.397 28.347 28.738 0.010 0.000 0.902 52 Q HN 0.443 nan 8.270 nan 0.000 0.423 53 V N -0.905 118.974 119.914 -0.059 0.000 2.546 53 V HA -0.198 3.922 4.120 -0.000 0.000 0.254 53 V C 1.391 177.293 176.094 -0.319 0.000 1.076 53 V CA 1.720 63.892 62.300 -0.214 0.000 1.087 53 V CB -0.722 30.901 31.823 -0.333 0.000 0.674 53 V HN 0.369 nan 8.190 nan 0.000 0.470 54 F N 0.952 120.898 119.950 -0.006 0.000 2.660 54 F HA 0.487 5.014 4.527 -0.000 0.000 0.302 54 F C 1.599 177.398 175.800 -0.001 0.000 1.103 54 F CA 0.277 58.275 58.000 -0.004 0.000 1.340 54 F CB -0.338 38.658 39.000 -0.007 0.000 1.048 54 F HN 0.224 nan 8.300 nan 0.000 0.551 55 S N 0.637 116.404 115.700 0.112 0.000 3.521 55 S HA -0.252 4.218 4.470 -0.000 0.000 0.328 55 S C 0.155 174.801 174.600 0.078 0.000 1.165 55 S CA 1.157 59.401 58.200 0.074 0.000 0.941 55 S CB -1.807 61.428 63.200 0.057 0.000 0.951 55 S HN 0.784 nan 8.310 nan 0.000 0.539 56 Q N -1.158 118.699 119.800 0.094 0.000 2.626 56 Q HA 0.720 5.060 4.340 -0.000 0.000 0.300 56 Q C -0.565 175.470 176.000 0.058 0.000 0.988 56 Q CA -0.897 54.945 55.803 0.065 0.000 0.761 56 Q CB 1.099 29.872 28.738 0.059 0.000 1.494 56 Q HN 0.270 nan 8.270 nan 0.000 0.439 57 T N -0.700 113.877 114.554 0.039 0.000 2.902 57 T HA 0.739 5.089 4.350 -0.000 0.000 0.283 57 T C 0.215 174.930 174.700 0.024 0.000 1.009 57 T CA -0.718 61.402 62.100 0.032 0.000 1.051 57 T CB 0.580 69.462 68.868 0.024 0.000 0.999 57 T HN 0.665 nan 8.240 nan 0.000 0.474 58 I N -1.234 119.350 120.570 0.023 0.000 3.002 58 I HA 0.986 5.156 4.170 -0.000 0.000 0.310 58 I C -0.006 176.117 176.117 0.011 0.000 1.087 58 I CA -1.267 60.039 61.300 0.011 0.000 1.017 58 I CB 2.050 40.055 38.000 0.007 0.000 1.226 58 I HN 0.945 nan 8.210 nan 0.000 0.443 59 G N 1.801 110.604 108.800 0.005 0.000 2.706 59 G HA2 0.210 4.170 3.960 -0.000 0.000 0.307 59 G HA3 0.210 4.170 3.960 -0.000 0.000 0.307 59 G C -0.668 174.235 174.900 0.005 0.000 1.307 59 G CA -0.366 44.739 45.100 0.008 0.000 0.790 59 G HN 0.866 nan 8.290 nan 0.000 0.503 60 N N -0.741 117.965 118.700 0.010 0.000 2.617 60 N HA 0.131 4.871 4.740 -0.000 0.000 0.198 60 N C 0.259 175.776 175.510 0.013 0.000 1.317 60 N CA 0.627 53.684 53.050 0.012 0.000 0.892 60 N CB 0.351 38.849 38.487 0.017 0.000 1.041 60 N HN 0.284 nan 8.380 nan 0.000 0.450 61 T N 0.355 114.915 114.554 0.010 0.000 2.876 61 T HA 0.402 4.752 4.350 -0.000 0.000 0.289 61 T C 0.003 174.707 174.700 0.008 0.000 1.014 61 T CA -0.738 61.370 62.100 0.014 0.000 0.986 61 T CB 1.447 70.325 68.868 0.016 0.000 1.021 61 T HN 0.042 nan 8.240 nan 0.000 0.458 62 I N 3.484 124.065 120.570 0.018 0.000 2.517 62 I HA 0.165 4.335 4.170 -0.000 0.000 0.285 62 I C 0.418 176.550 176.117 0.025 0.000 1.106 62 I CA 0.269 61.580 61.300 0.019 0.000 1.402 62 I CB 0.347 38.388 38.000 0.068 0.000 1.399 62 I HN 0.444 nan 8.210 nan 0.000 0.535 63 Q N 4.767 124.569 119.800 0.003 0.000 2.372 63 Q HA 0.651 4.991 4.340 -0.000 0.000 0.273 63 Q C -0.662 175.330 176.000 -0.013 0.000 1.078 63 Q CA -0.897 54.907 55.803 0.001 0.000 0.806 63 Q CB 2.600 31.334 28.738 -0.006 0.000 1.332 63 Q HN 0.773 nan 8.270 nan 0.000 0.435 64 A N 2.321 125.138 122.820 -0.005 0.000 2.407 64 A HA 0.345 4.665 4.320 -0.000 0.000 0.248 64 A C -0.221 177.327 177.584 -0.060 0.000 1.082 64 A CA -0.308 51.717 52.037 -0.020 0.000 0.785 64 A CB 0.246 19.245 19.000 -0.003 0.000 1.020 64 A HN 0.602 nan 8.150 nan 0.000 0.489 65 I N 3.065 123.568 120.570 -0.112 0.000 2.269 65 I HA 0.120 4.290 4.170 -0.000 0.000 0.293 65 I C 1.608 177.677 176.117 -0.080 0.000 1.106 65 I CA 0.180 61.385 61.300 -0.159 0.000 1.248 65 I CB -0.315 37.446 38.000 -0.399 0.000 1.444 65 I HN 0.818 nan 8.210 nan 0.000 0.497 66 A N 5.224 128.026 122.820 -0.031 0.000 1.958 66 A HA -0.215 4.105 4.320 -0.000 0.000 0.221 66 A C 2.031 179.622 177.584 0.012 0.000 1.178 66 A CA 2.249 54.284 52.037 -0.004 0.000 0.642 66 A CB -0.486 18.518 19.000 0.008 0.000 0.816 66 A HN 0.735 nan 8.150 nan 0.000 0.453 67 S N -1.429 114.292 115.700 0.034 0.000 2.786 67 S HA 0.329 4.799 4.470 -0.000 0.000 0.223 67 S C 0.134 174.781 174.600 0.077 0.000 0.956 67 S CA 0.448 58.691 58.200 0.072 0.000 0.961 67 S CB -0.289 62.991 63.200 0.133 0.000 0.784 67 S HN 1.427 nan 8.310 nan 0.000 0.519 68 V N 1.167 121.097 119.914 0.027 0.000 3.572 68 V HA 0.280 4.400 4.120 -0.000 0.000 0.245 68 V C -2.953 173.135 176.094 -0.010 0.000 0.932 68 V CA -1.551 60.763 62.300 0.023 0.000 1.085 68 V CB 1.457 33.311 31.823 0.052 0.000 0.913 68 V HN 0.213 nan 8.190 nan 0.000 0.505 69 P HA 0.324 nan 4.420 nan 0.000 0.265 69 P C 1.016 178.318 177.300 0.002 0.000 1.187 69 P CA 1.818 64.917 63.100 -0.002 0.000 0.766 69 P CB 1.123 32.825 31.700 0.003 0.000 0.820 70 G N 0.915 109.718 108.800 0.005 0.000 2.234 70 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.235 70 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.235 70 G C -0.414 174.512 174.900 0.043 0.000 0.997 70 G CA 0.133 45.246 45.100 0.023 0.000 0.623 70 G HN 0.660 nan 8.290 nan 0.000 0.514 71 L N 1.921 123.143 121.223 -0.001 0.000 2.329 71 L HA 0.898 5.238 4.340 -0.000 0.000 0.279 71 L C -0.109 176.720 176.870 -0.068 0.000 1.014 71 L CA -0.460 54.354 54.840 -0.044 0.000 0.814 71 L CB 2.142 44.121 42.059 -0.134 0.000 1.257 71 L HN 0.140 nan 8.230 nan 0.000 0.424 72 S N 2.520 118.184 115.700 -0.061 0.000 2.632 72 S HA 0.997 5.466 4.470 -0.000 0.000 0.289 72 S C -0.946 173.542 174.600 -0.186 0.000 1.115 72 S CA -0.264 57.892 58.200 -0.074 0.000 0.889 72 S CB 1.839 65.091 63.200 0.088 0.000 1.116 72 S HN 0.965 nan 8.310 nan 0.000 0.486 73 A N 0.594 123.315 122.820 -0.164 0.000 2.532 73 A HA 0.966 5.286 4.320 -0.000 0.000 0.290 73 A C -1.851 175.657 177.584 -0.127 0.000 1.143 73 A CA -0.673 51.259 52.037 -0.174 0.000 0.728 73 A CB 1.468 20.371 19.000 -0.161 0.000 1.317 73 A HN 0.858 nan 8.150 nan 0.000 0.414 74 L N -0.307 120.846 121.223 -0.118 0.000 2.565 74 L HA 0.564 4.904 4.340 -0.000 0.000 0.261 74 L C -0.888 175.951 176.870 -0.052 0.000 0.932 74 L CA -0.049 54.744 54.840 -0.078 0.000 0.878 74 L CB 2.057 44.059 42.059 -0.095 0.000 1.333 74 L HN 0.868 nan 8.230 nan 0.000 0.409 75 E N 4.882 125.069 120.200 -0.020 0.000 2.175 75 E HA 0.507 4.857 4.350 -0.000 0.000 0.278 75 E C -1.246 175.358 176.600 0.006 0.000 0.969 75 E CA -0.587 55.813 56.400 -0.001 0.000 0.796 75 E CB 1.257 30.962 29.700 0.009 0.000 1.104 75 E HN 0.703 nan 8.360 nan 0.000 0.395 76 I N 4.430 125.008 120.570 0.014 0.000 2.557 76 I HA 0.098 4.268 4.170 -0.000 0.000 0.277 76 I C -0.361 175.757 176.117 0.001 0.000 1.106 76 I CA -0.703 60.601 61.300 0.007 0.000 1.180 76 I CB 0.878 38.880 38.000 0.004 0.000 1.392 76 I HN 0.486 nan 8.210 nan 0.000 0.506 77 D N 8.341 128.744 120.400 0.006 0.000 2.412 77 D HA 0.038 4.678 4.640 -0.000 0.000 0.257 77 D C -1.211 175.085 176.300 -0.007 0.000 1.217 77 D CA -1.740 52.264 54.000 0.006 0.000 0.897 77 D CB 1.381 42.188 40.800 0.012 0.000 1.132 77 D HN 0.244 nan 8.370 nan 0.000 0.493 78 P HA -0.113 nan 4.420 nan 0.000 0.220 78 P C 1.020 178.306 177.300 -0.023 0.000 1.152 78 P CA 0.950 64.030 63.100 -0.033 0.000 0.812 78 P CB 0.484 32.166 31.700 -0.030 0.000 0.792 79 Q N -0.016 119.780 119.800 -0.007 0.000 2.083 79 Q HA -0.031 4.309 4.340 -0.000 0.000 0.198 79 Q C 2.451 178.456 176.000 0.008 0.000 0.969 79 Q CA 1.561 57.363 55.803 -0.002 0.000 0.838 79 Q CB -0.583 28.157 28.738 0.005 0.000 0.900 79 Q HN 0.189 nan 8.270 nan 0.000 0.436 80 A N 1.252 124.080 122.820 0.013 0.000 1.873 80 A HA -0.112 4.208 4.320 -0.000 0.000 0.215 80 A C 2.333 179.936 177.584 0.033 0.000 1.186 80 A CA 1.561 53.612 52.037 0.022 0.000 0.616 80 A CB -0.940 18.073 19.000 0.021 0.000 0.823 80 A HN 0.385 nan 8.150 nan 0.000 0.442 81 A N -0.066 122.769 122.820 0.025 0.000 1.917 81 A HA 0.071 4.391 4.320 -0.000 0.000 0.219 81 A C 2.508 180.136 177.584 0.073 0.000 1.182 81 A CA 2.405 54.468 52.037 0.043 0.000 0.633 81 A CB -1.069 17.934 19.000 0.004 0.000 0.819 81 A HN 1.106 nan 8.150 nan 0.000 0.448 82 A N -0.747 122.089 122.820 0.026 0.000 1.877 82 A HA -0.216 4.104 4.320 -0.000 0.000 0.216 82 A C 2.121 179.760 177.584 0.091 0.000 1.186 82 A CA 1.711 53.766 52.037 0.030 0.000 0.620 82 A CB -0.642 18.344 19.000 -0.023 0.000 0.822 82 A HN 0.671 nan 8.150 nan 0.000 0.443 83 Q N -0.893 118.944 119.800 0.061 0.000 2.014 83 Q HA -0.297 4.043 4.340 -0.000 0.000 0.207 83 Q C 2.338 178.385 176.000 0.078 0.000 0.993 83 Q CA 2.023 57.862 55.803 0.059 0.000 0.850 83 Q CB -0.302 28.460 28.738 0.041 0.000 0.916 83 Q HN 0.709 nan 8.270 nan 0.000 0.417 84 Q N -0.356 119.493 119.800 0.081 0.000 2.135 84 Q HA -0.202 4.138 4.340 -0.000 0.000 0.204 84 Q C 1.703 177.758 176.000 0.092 0.000 0.981 84 Q CA 1.584 57.431 55.803 0.074 0.000 0.856 84 Q CB -0.336 28.444 28.738 0.070 0.000 0.902 84 Q HN 0.430 nan 8.270 nan 0.000 0.425 85 Y N 0.551 120.860 120.300 0.015 0.000 2.145 85 Y HA -0.249 4.301 4.550 -0.000 0.000 0.286 85 Y C 2.463 178.373 175.900 0.016 0.000 1.145 85 Y CA 1.889 60.000 58.100 0.019 0.000 1.148 85 Y CB 0.043 38.510 38.460 0.012 0.000 0.981 85 Y HN -0.014 nan 8.280 nan 0.000 0.507 86 R N 0.080 120.704 120.500 0.205 0.000 2.066 86 R HA -0.130 4.210 4.340 -0.000 0.000 0.232 86 R C 2.310 178.633 176.300 0.037 0.000 1.131 86 R CA 1.300 57.473 56.100 0.121 0.000 0.955 86 R CB -0.570 29.794 30.300 0.107 0.000 0.851 86 R HN 0.378 nan 8.270 nan 0.000 0.432 87 A N 0.758 123.598 122.820 0.033 0.000 2.019 87 A HA -0.125 4.195 4.320 -0.000 0.000 0.219 87 A C 2.142 179.718 177.584 -0.015 0.000 1.164 87 A CA 1.158 53.202 52.037 0.013 0.000 0.644 87 A CB -0.461 18.551 19.000 0.020 0.000 0.805 87 A HN 0.338 nan 8.150 nan 0.000 0.449 88 R N -0.824 119.648 120.500 -0.047 0.000 2.235 88 R HA 0.088 4.427 4.340 -0.000 0.000 0.213 88 R C 1.481 177.725 176.300 -0.093 0.000 1.059 88 R CA 0.915 56.967 56.100 -0.081 0.000 0.997 88 R CB -0.182 30.036 30.300 -0.136 0.000 0.884 88 R HN 0.622 nan 8.270 nan 0.000 0.462 89 I N -1.141 119.375 120.570 -0.089 0.000 2.729 89 I HA -0.124 4.046 4.170 -0.000 0.000 0.256 89 I C 1.835 177.940 176.117 -0.021 0.000 1.115 89 I CA 0.396 61.658 61.300 -0.063 0.000 1.446 89 I CB 0.176 38.143 38.000 -0.054 0.000 1.176 89 I HN -0.084 nan 8.210 nan 0.000 0.446 90 V N 0.745 120.655 119.914 -0.007 0.000 2.407 90 V HA -0.208 3.912 4.120 -0.000 0.000 0.245 90 V C 1.948 178.044 176.094 0.003 0.000 1.041 90 V CA 1.659 63.963 62.300 0.006 0.000 1.040 90 V CB -0.634 31.200 31.823 0.017 0.000 0.671 90 V HN 0.328 nan 8.190 nan 0.000 0.455 91 D N 0.006 120.406 120.400 -0.001 0.000 2.149 91 D HA -0.144 4.496 4.640 -0.000 0.000 0.194 91 D C -0.105 176.194 176.300 -0.001 0.000 1.001 91 D CA 1.748 55.748 54.000 0.000 0.000 0.849 91 D CB -1.643 39.157 40.800 -0.001 0.000 0.939 91 D HN 0.377 nan 8.370 nan 0.000 0.449 92 P HA -0.074 nan 4.420 nan 0.000 0.216 92 P C 1.639 178.937 177.300 -0.003 0.000 1.150 92 P CA 0.938 64.035 63.100 -0.006 0.000 0.837 92 P CB -0.153 31.540 31.700 -0.011 0.000 0.786 93 I N -4.945 115.624 120.570 -0.001 0.000 3.793 93 I HA 0.183 4.353 4.170 -0.000 0.000 0.315 93 I C 0.534 176.653 176.117 0.004 0.000 1.275 93 I CA -0.178 61.122 61.300 0.001 0.000 1.214 93 I CB -0.444 37.558 38.000 0.003 0.000 1.018 93 I HN -0.266 nan 8.210 nan 0.000 0.439 94 K N 2.610 123.012 120.400 0.005 0.000 2.402 94 K HA 0.290 4.610 4.320 -0.000 0.000 0.285 94 K C 1.105 177.709 176.600 0.006 0.000 1.054 94 K CA 1.004 57.295 56.287 0.007 0.000 1.001 94 K CB 0.363 32.868 32.500 0.007 0.000 0.946 94 K HN 0.533 nan 8.250 nan 0.000 0.473 95 G N 1.811 110.615 108.800 0.006 0.000 2.175 95 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.244 95 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.244 95 G C 0.448 175.350 174.900 0.004 0.000 0.982 95 G CA 0.185 45.288 45.100 0.005 0.000 0.641 95 G HN 0.483 nan 8.290 nan 0.000 0.527 96 V N -0.065 119.851 119.914 0.003 0.000 3.572 96 V HA 0.490 4.610 4.120 -0.000 0.000 0.260 96 V C 1.069 177.164 176.094 0.003 0.000 1.324 96 V CA 0.795 63.096 62.300 0.002 0.000 1.068 96 V CB 0.463 32.285 31.823 -0.001 0.000 0.837 96 V HN 0.304 nan 8.190 nan 0.000 0.450 97 L N 0.129 121.355 121.223 0.005 0.000 2.323 97 L HA 0.548 4.888 4.340 -0.000 0.000 0.265 97 L C -2.510 174.365 176.870 0.009 0.000 1.012 97 L CA -1.892 52.952 54.840 0.007 0.000 0.820 97 L CB 2.133 44.198 42.059 0.009 0.000 1.334 97 L HN -0.010 nan 8.230 nan 0.000 0.427 98 P HA 0.010 nan 4.420 nan 0.000 0.270 98 P C -0.414 176.893 177.300 0.012 0.000 1.227 98 P CA -0.117 62.989 63.100 0.010 0.000 0.788 98 P CB 0.596 32.303 31.700 0.011 0.000 0.926 99 D N 0.177 120.585 120.400 0.012 0.000 2.149 99 D HA -0.148 4.492 4.640 -0.000 0.000 0.201 99 D C 1.391 177.700 176.300 0.016 0.000 0.972 99 D CA 1.213 55.221 54.000 0.014 0.000 0.835 99 D CB -0.461 40.347 40.800 0.013 0.000 0.966 99 D HN 0.539 nan 8.370 nan 0.000 0.476 100 D N 0.623 121.032 120.400 0.015 0.000 2.219 100 D HA -0.106 4.534 4.640 -0.000 0.000 0.205 100 D C 1.991 178.302 176.300 0.018 0.000 0.970 100 D CA 0.539 54.548 54.000 0.016 0.000 0.851 100 D CB -0.388 40.420 40.800 0.014 0.000 0.943 100 D HN 0.124 nan 8.370 nan 0.000 0.488 101 V N 1.020 120.944 119.914 0.018 0.000 2.283 101 V HA -0.184 3.936 4.120 -0.000 0.000 0.243 101 V C 2.953 179.061 176.094 0.024 0.000 1.039 101 V CA 1.116 63.428 62.300 0.021 0.000 1.016 101 V CB -0.364 31.471 31.823 0.019 0.000 0.650 101 V HN 0.085 nan 8.190 nan 0.000 0.449 102 V N 0.085 120.012 119.914 0.021 0.000 2.490 102 V HA -0.242 3.878 4.120 -0.000 0.000 0.250 102 V C 2.663 178.773 176.094 0.027 0.000 1.061 102 V CA 2.235 64.548 62.300 0.023 0.000 1.064 102 V CB -0.709 31.125 31.823 0.019 0.000 0.670 102 V HN 0.627 nan 8.190 nan 0.000 0.461 103 S N -0.190 115.524 115.700 0.025 0.000 2.368 103 S HA -0.171 4.299 4.470 -0.000 0.000 0.224 103 S C 2.211 176.829 174.600 0.030 0.000 1.029 103 S CA 1.922 60.138 58.200 0.027 0.000 0.988 103 S CB -0.222 62.991 63.200 0.022 0.000 0.838 103 S HN 0.612 nan 8.310 nan 0.000 0.462 104 S N 1.383 117.100 115.700 0.028 0.000 2.368 104 S HA 0.078 4.548 4.470 -0.000 0.000 0.224 104 S C 1.780 176.404 174.600 0.039 0.000 1.029 104 S CA 1.334 59.551 58.200 0.028 0.000 0.988 104 S CB -0.450 62.764 63.200 0.023 0.000 0.838 104 S HN 0.525 nan 8.310 nan 0.000 0.462 105 I N 2.139 122.734 120.570 0.041 0.000 2.226 105 I HA -0.198 3.972 4.170 -0.000 0.000 0.245 105 I C 2.547 178.699 176.117 0.059 0.000 1.100 105 I CA 0.890 62.220 61.300 0.050 0.000 1.374 105 I CB -0.381 37.647 38.000 0.047 0.000 1.057 105 I HN 0.351 nan 8.210 nan 0.000 0.413 106 N N 0.799 119.530 118.700 0.052 0.000 2.149 106 N HA -0.259 4.481 4.740 -0.000 0.000 0.188 106 N C 1.847 177.402 175.510 0.074 0.000 1.019 106 N CA 1.568 54.652 53.050 0.056 0.000 0.857 106 N CB 0.051 38.565 38.487 0.045 0.000 0.997 106 N HN 0.283 nan 8.380 nan 0.000 0.426 107 E N 1.171 121.419 120.200 0.079 0.000 2.150 107 E HA -0.114 4.236 4.350 -0.000 0.000 0.193 107 E C 1.688 178.409 176.600 0.201 0.000 0.985 107 E CA 1.240 57.711 56.400 0.118 0.000 0.814 107 E CB -0.185 29.559 29.700 0.073 0.000 0.752 107 E HN 0.412 nan 8.360 nan 0.000 0.466 108 Q N -0.669 119.218 119.800 0.145 0.000 2.437 108 Q HA 0.008 4.348 4.340 -0.000 0.000 0.210 108 Q C 0.792 176.884 176.000 0.153 0.000 0.972 108 Q CA 0.613 56.518 55.803 0.170 0.000 0.903 108 Q CB 0.155 28.948 28.738 0.092 0.000 0.967 108 Q HN 0.334 nan 8.270 nan 0.000 0.486 109 L N -0.647 120.640 121.223 0.108 0.000 3.017 109 L HA 0.202 4.542 4.340 -0.000 0.000 0.255 109 L C 0.529 177.399 176.870 0.001 0.000 1.247 109 L CA -0.053 54.825 54.840 0.063 0.000 1.038 109 L CB 0.793 42.910 42.059 0.096 0.000 1.380 109 L HN -0.077 nan 8.230 nan 0.000 0.548 110 S N -0.354 115.313 115.700 -0.055 0.000 2.650 110 S HA 0.294 4.764 4.470 -0.000 0.000 0.240 110 S C 0.815 175.147 174.600 -0.446 0.000 1.007 110 S CA -0.219 57.902 58.200 -0.132 0.000 0.984 110 S CB 0.938 64.150 63.200 0.020 0.000 0.910 110 S HN 0.441 nan 8.310 nan 0.000 0.509 111 G N 0.423 108.758 108.800 -0.775 0.000 2.552 111 G HA2 0.605 4.565 3.960 -0.000 0.000 0.318 111 G HA3 0.605 4.565 3.960 -0.000 0.000 0.318 111 G C 0.929 175.624 174.900 -0.343 0.000 1.240 111 G CA -0.163 44.400 45.100 -0.895 0.000 1.002 111 G HN 0.209 nan 8.290 nan 0.000 0.493 112 A N -1.053 121.635 122.820 -0.220 0.000 1.978 112 A HA -0.100 4.220 4.320 -0.000 0.000 0.220 112 A C 2.443 179.969 177.584 -0.095 0.000 1.170 112 A CA 2.069 54.035 52.037 -0.118 0.000 0.636 112 A CB -0.888 18.068 19.000 -0.073 0.000 0.810 112 A HN 0.585 nan 8.150 nan 0.000 0.448 113 C N -1.383 117.862 119.300 -0.091 0.000 2.453 113 C HA -0.077 4.383 4.460 -0.000 0.000 0.277 113 C C 3.015 177.941 174.990 -0.107 0.000 1.262 113 C CA 1.528 60.514 59.018 -0.053 0.000 1.718 113 C CB -1.465 26.272 27.740 -0.005 0.000 2.031 113 C HN 0.645 nan 8.230 nan 0.000 0.480 114 T N 0.649 115.120 114.554 -0.139 0.000 2.759 114 T HA -0.167 4.183 4.350 -0.000 0.000 0.269 114 T C 1.748 176.299 174.700 -0.247 0.000 1.042 114 T CA 2.159 64.149 62.100 -0.185 0.000 1.140 114 T CB -0.458 68.337 68.868 -0.121 0.000 0.864 114 T HN 0.621 nan 8.240 nan 0.000 0.455 115 T N 1.906 116.358 114.554 -0.171 0.000 2.777 115 T HA -0.071 4.278 4.350 -0.000 0.000 0.266 115 T C 1.974 176.595 174.700 -0.132 0.000 1.040 115 T CA 0.873 62.887 62.100 -0.145 0.000 1.141 115 T CB -0.152 68.659 68.868 -0.095 0.000 0.868 115 T HN 0.335 nan 8.240 nan 0.000 0.444 116 E N 0.925 121.069 120.200 -0.093 0.000 2.072 116 E HA -0.029 4.321 4.350 -0.000 0.000 0.191 116 E C 2.309 178.879 176.600 -0.052 0.000 0.985 116 E CA 0.642 57.023 56.400 -0.033 0.000 0.801 116 E CB -0.298 29.407 29.700 0.008 0.000 0.750 116 E HN 0.371 nan 8.360 nan 0.000 0.452 117 I N 1.116 121.592 120.570 -0.155 0.000 2.226 117 I HA -0.177 3.993 4.170 -0.000 0.000 0.245 117 I C 2.339 178.297 176.117 -0.266 0.000 1.100 117 I CA 1.018 62.195 61.300 -0.205 0.000 1.374 117 I CB -1.469 36.349 38.000 -0.302 0.000 1.057 117 I HN -0.060 nan 8.210 nan 0.000 0.413 118 A N 0.700 123.235 122.820 -0.475 0.000 1.930 118 A HA -0.033 4.287 4.320 -0.000 0.000 0.217 118 A C 2.546 180.025 177.584 -0.175 0.000 1.175 118 A CA 1.660 53.432 52.037 -0.441 0.000 0.627 118 A CB -0.657 18.079 19.000 -0.441 0.000 0.815 118 A HN 0.394 nan 8.150 nan 0.000 0.443 119 A N -1.401 121.309 122.820 -0.183 0.000 1.930 119 A HA -0.026 4.294 4.320 -0.000 0.000 0.217 119 A C 2.007 179.374 177.584 -0.361 0.000 1.175 119 A CA 1.427 53.280 52.037 -0.307 0.000 0.627 119 A CB -0.665 18.176 19.000 -0.266 0.000 0.815 119 A HN 0.602 nan 8.150 nan 0.000 0.443 120 F N 0.654 120.514 119.950 -0.152 0.000 2.234 120 F HA -0.141 4.386 4.527 -0.000 0.000 0.299 120 F C 1.938 177.806 175.800 0.113 0.000 1.087 120 F CA 1.722 59.761 58.000 0.064 0.000 1.340 120 F CB 0.020 39.048 39.000 0.047 0.000 1.031 120 F HN 0.245 nan 8.300 nan 0.000 0.500 121 D N 0.233 120.736 120.400 0.172 0.000 2.144 121 D HA -0.158 4.482 4.640 -0.000 0.000 0.199 121 D C 2.043 178.409 176.300 0.111 0.000 0.984 121 D CA 1.102 55.259 54.000 0.261 0.000 0.834 121 D CB 0.024 40.999 40.800 0.291 0.000 0.955 121 D HN 0.344 nan 8.370 nan 0.000 0.465 122 E N -0.103 120.078 120.200 -0.030 0.000 2.046 122 E HA -0.118 4.232 4.350 -0.000 0.000 0.190 122 E C 2.251 178.856 176.600 0.007 0.000 0.982 122 E CA 0.377 56.749 56.400 -0.046 0.000 0.800 122 E CB -0.603 29.008 29.700 -0.149 0.000 0.756 122 E HN 0.326 nan 8.360 nan 0.000 0.449 123 F N 1.927 121.832 119.950 -0.075 0.000 2.091 123 F HA -0.205 4.322 4.527 -0.000 0.000 0.299 123 F C 2.661 178.326 175.800 -0.225 0.000 1.103 123 F CA 1.429 59.319 58.000 -0.185 0.000 1.228 123 F CB -1.485 37.245 39.000 -0.451 0.000 0.984 123 F HN -0.002 nan 8.300 nan 0.000 0.477 124 T N -0.291 114.188 114.554 -0.125 0.000 2.699 124 T HA -0.203 4.147 4.350 -0.000 0.000 0.268 124 T C 2.338 177.055 174.700 0.028 0.000 1.036 124 T CA 1.546 63.599 62.100 -0.079 0.000 1.147 124 T CB -1.167 67.739 68.868 0.065 0.000 0.862 124 T HN 0.444 nan 8.240 nan 0.000 0.446 125 G N 1.982 110.822 108.800 0.067 0.000 2.459 125 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.217 125 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.217 125 G C 1.353 176.323 174.900 0.117 0.000 1.183 125 G CA 0.597 45.748 45.100 0.085 0.000 0.776 125 G HN 0.326 nan 8.290 nan 0.000 0.552 126 L N 0.408 121.730 121.223 0.166 0.000 2.046 126 L HA 0.089 4.429 4.340 -0.000 0.000 0.208 126 L C 2.947 179.936 176.870 0.198 0.000 1.077 126 L CA 0.971 55.944 54.840 0.223 0.000 0.747 126 L CB -1.372 40.907 42.059 0.367 0.000 0.896 126 L HN 0.210 nan 8.230 nan 0.000 0.432 127 L N -0.405 120.860 121.223 0.071 0.000 2.201 127 L HA -0.160 4.180 4.340 -0.000 0.000 0.212 127 L C 2.065 178.946 176.870 0.019 0.000 1.105 127 L CA 1.525 56.271 54.840 -0.158 0.000 0.775 127 L CB -0.603 41.262 42.059 -0.322 0.000 0.913 127 L HN 0.430 nan 8.230 nan 0.000 0.440 128 T N -5.277 109.364 114.554 0.145 0.000 3.122 128 T HA 0.019 4.368 4.350 -0.000 0.000 0.250 128 T C 0.433 175.279 174.700 0.243 0.000 1.067 128 T CA -0.333 61.960 62.100 0.321 0.000 0.966 128 T CB -0.148 68.883 68.868 0.272 0.000 1.002 128 T HN -0.022 nan 8.240 nan 0.000 0.542 129 D N 1.200 121.725 120.400 0.209 0.000 2.499 129 D HA 0.603 5.243 4.640 -0.000 0.000 0.225 129 D C 1.320 177.737 176.300 0.195 0.000 1.124 129 D CA -0.374 53.727 54.000 0.170 0.000 0.938 129 D CB 0.846 41.734 40.800 0.148 0.000 1.014 129 D HN 0.181 nan 8.370 nan 0.000 0.517 130 A N 2.727 125.653 122.820 0.176 0.000 1.948 130 A HA -0.220 4.100 4.320 -0.000 0.000 0.220 130 A C 2.223 179.876 177.584 0.115 0.000 1.177 130 A CA 2.105 54.237 52.037 0.159 0.000 0.636 130 A CB -0.683 18.392 19.000 0.125 0.000 0.815 130 A HN 0.613 nan 8.150 nan 0.000 0.449 131 S N -0.335 115.420 115.700 0.092 0.000 2.392 131 S HA -0.215 4.255 4.470 -0.000 0.000 0.232 131 S C 1.726 176.377 174.600 0.085 0.000 1.041 131 S CA 1.694 59.933 58.200 0.066 0.000 1.026 131 S CB -0.664 62.569 63.200 0.056 0.000 0.845 131 S HN 0.275 nan 8.310 nan 0.000 0.465 132 L N 1.356 122.666 121.223 0.145 0.000 2.042 132 L HA 0.086 4.425 4.340 -0.000 0.000 0.210 132 L C 2.314 179.309 176.870 0.208 0.000 1.076 132 L CA 1.526 56.503 54.840 0.229 0.000 0.749 132 L CB -0.752 41.463 42.059 0.260 0.000 0.893 132 L HN 0.408 nan 8.230 nan 0.000 0.432 133 L N -1.763 119.533 121.223 0.121 0.000 2.622 133 L HA -0.093 4.247 4.340 -0.000 0.000 0.233 133 L C 1.869 178.734 176.870 -0.008 0.000 1.156 133 L CA 0.449 55.311 54.840 0.037 0.000 0.866 133 L CB -0.701 41.350 42.059 -0.013 0.000 0.980 133 L HN 0.223 nan 8.230 nan 0.000 0.448 134 T N -0.653 113.897 114.554 -0.007 0.000 3.051 134 T HA 0.034 4.383 4.350 -0.000 0.000 0.255 134 T C 1.920 176.543 174.700 -0.128 0.000 1.085 134 T CA 0.733 62.802 62.100 -0.051 0.000 1.109 134 T CB 0.201 69.051 68.868 -0.030 0.000 0.921 134 T HN 0.351 nan 8.240 nan 0.000 0.488 135 R N -0.868 119.515 120.500 -0.195 0.000 2.250 135 R HA 0.302 4.642 4.340 -0.000 0.000 0.194 135 R C -0.408 175.402 176.300 -0.816 0.000 0.927 135 R CA 0.303 56.087 56.100 -0.526 0.000 1.052 135 R CB 0.526 30.403 30.300 -0.705 0.000 1.055 135 R HN 0.236 nan 8.270 nan 0.000 0.537 136 F N -0.446 119.464 119.950 -0.067 0.000 2.603 136 F HA 0.316 4.843 4.527 -0.000 0.000 0.317 136 F C 0.676 176.383 175.800 -0.155 0.000 1.066 136 F CA -1.133 56.813 58.000 -0.090 0.000 0.941 136 F CB 1.623 40.578 39.000 -0.074 0.000 1.291 136 F HN -0.253 nan 8.300 nan 0.000 0.472 137 D N -0.850 119.541 120.400 -0.014 0.000 2.301 137 D HA 0.041 4.681 4.640 -0.000 0.000 0.206 137 D C -0.237 175.712 176.300 -0.585 0.000 0.979 137 D CA 1.015 54.822 54.000 -0.322 0.000 0.874 137 D CB 0.337 40.908 40.800 -0.382 0.000 0.968 137 D HN 0.537 nan 8.370 nan 0.000 0.510 138 H N -0.840 118.229 119.070 -0.001 0.000 2.894 138 H HA 0.487 5.043 4.556 -0.000 0.000 0.367 138 H C -0.732 174.526 175.328 -0.117 0.000 1.144 138 H CA -0.533 55.471 56.048 -0.072 0.000 1.180 138 H CB 2.396 32.128 29.762 -0.050 0.000 1.758 138 H HN -0.194 nan 8.280 nan 0.000 0.541 139 I N 3.959 124.518 120.570 -0.019 0.000 2.410 139 I HA 0.318 4.488 4.170 -0.000 0.000 0.286 139 I C -0.724 175.285 176.117 -0.181 0.000 1.009 139 I CA -0.381 60.822 61.300 -0.162 0.000 1.111 139 I CB 1.288 39.263 38.000 -0.042 0.000 1.262 139 I HN 0.358 nan 8.210 nan 0.000 0.443 140 I N 6.069 126.467 120.570 -0.287 0.000 2.354 140 I HA 0.394 4.564 4.170 -0.000 0.000 0.292 140 I C -0.857 175.063 176.117 -0.327 0.000 0.989 140 I CA -0.444 60.754 61.300 -0.170 0.000 1.188 140 I CB 1.262 39.273 38.000 0.019 0.000 1.342 140 I HN 0.317 nan 8.210 nan 0.000 0.457 141 F N 3.922 123.775 119.950 -0.162 0.000 2.458 141 F HA 0.222 4.749 4.527 -0.000 0.000 0.336 141 F C 1.016 176.921 175.800 0.175 0.000 1.114 141 F CA -0.762 57.207 58.000 -0.051 0.000 0.987 141 F CB 1.209 40.037 39.000 -0.285 0.000 1.130 141 F HN 0.523 nan 8.300 nan 0.000 0.458 142 D N 0.201 120.797 120.400 0.328 0.000 2.325 142 D HA 0.041 4.681 4.640 -0.000 0.000 0.234 142 D C 0.101 176.580 176.300 0.298 0.000 1.122 142 D CA 0.194 54.354 54.000 0.266 0.000 0.850 142 D CB -0.328 40.539 40.800 0.113 0.000 0.921 142 D HN 0.518 nan 8.370 nan 0.000 0.513 143 T N -4.120 110.672 114.554 0.396 0.000 2.821 143 T HA 0.717 5.067 4.350 -0.000 0.000 0.306 143 T C -1.249 173.671 174.700 0.367 0.000 1.313 143 T CA -0.792 61.516 62.100 0.347 0.000 1.012 143 T CB 1.751 70.817 68.868 0.331 0.000 1.298 143 T HN 0.189 nan 8.240 nan 0.000 0.502 144 A N 1.616 124.562 122.820 0.211 0.000 2.469 144 A HA 0.979 5.299 4.320 -0.000 0.000 0.299 144 A C -2.826 174.752 177.584 -0.011 0.000 1.098 144 A CA -1.798 50.219 52.037 -0.032 0.000 0.737 144 A CB 0.920 19.871 19.000 -0.082 0.000 1.312 144 A HN 0.807 nan 8.150 nan 0.000 0.414 145 P HA 0.348 nan 4.420 nan 0.000 0.276 145 P C 0.039 177.349 177.300 0.016 0.000 1.244 145 P CA 0.050 63.208 63.100 0.097 0.000 0.801 145 P CB 0.730 32.574 31.700 0.240 0.000 1.006 146 T N -2.659 111.925 114.554 0.050 0.000 2.849 146 T HA 0.321 4.671 4.350 -0.000 0.000 0.284 146 T C 1.702 176.395 174.700 -0.011 0.000 1.004 146 T CA -0.055 62.060 62.100 0.024 0.000 1.021 146 T CB 0.551 69.456 68.868 0.062 0.000 1.013 146 T HN 0.459 nan 8.240 nan 0.000 0.527 147 G N -0.349 108.446 108.800 -0.009 0.000 2.432 147 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.219 147 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.219 147 G C 1.322 176.206 174.900 -0.027 0.000 1.135 147 G CA 1.060 46.141 45.100 -0.032 0.000 0.767 147 G HN 1.014 nan 8.290 nan 0.000 0.550 148 H N 0.960 119.981 119.070 -0.081 0.000 2.319 148 H HA -0.083 4.473 4.556 -0.000 0.000 0.299 148 H C 2.627 177.875 175.328 -0.135 0.000 1.092 148 H CA 2.322 58.315 56.048 -0.091 0.000 1.302 148 H CB -0.459 29.261 29.762 -0.071 0.000 1.373 148 H HN 0.234 nan 8.280 nan 0.000 0.497 149 T N 0.699 115.093 114.554 -0.267 0.000 2.746 149 T HA -0.090 4.260 4.350 -0.000 0.000 0.267 149 T C 2.261 176.652 174.700 -0.516 0.000 1.039 149 T CA 1.554 63.407 62.100 -0.412 0.000 1.142 149 T CB -0.248 68.480 68.868 -0.234 0.000 0.866 149 T HN 0.300 nan 8.240 nan 0.000 0.444 150 I N 0.518 120.859 120.570 -0.383 0.000 2.226 150 I HA -0.164 4.006 4.170 -0.000 0.000 0.245 150 I C 2.844 178.798 176.117 -0.270 0.000 1.100 150 I CA 1.259 62.341 61.300 -0.362 0.000 1.374 150 I CB -0.328 37.566 38.000 -0.176 0.000 1.057 150 I HN 0.118 nan 8.210 nan 0.000 0.413 151 R N 0.697 121.066 120.500 -0.218 0.000 2.080 151 R HA -0.178 4.162 4.340 -0.000 0.000 0.236 151 R C 2.382 178.562 176.300 -0.201 0.000 1.137 151 R CA 1.531 57.533 56.100 -0.164 0.000 0.943 151 R CB -0.584 29.641 30.300 -0.125 0.000 0.846 151 R HN 0.304 nan 8.270 nan 0.000 0.431 152 L N 0.714 121.746 121.223 -0.317 0.000 2.021 152 L HA -0.260 4.080 4.340 -0.000 0.000 0.215 152 L C 2.297 178.997 176.870 -0.283 0.000 1.074 152 L CA 1.407 56.046 54.840 -0.334 0.000 0.760 152 L CB -0.430 41.349 42.059 -0.466 0.000 0.889 152 L HN 0.294 nan 8.230 nan 0.000 0.433 153 L N -0.473 120.570 121.223 -0.301 0.000 2.478 153 L HA -0.120 4.220 4.340 -0.000 0.000 0.223 153 L C 2.352 179.303 176.870 0.134 0.000 1.140 153 L CA 0.592 55.340 54.840 -0.152 0.000 0.842 153 L CB -0.408 41.467 42.059 -0.307 0.000 0.953 153 L HN 0.529 nan 8.230 nan 0.000 0.452 154 Q N -0.042 119.777 119.800 0.032 0.000 2.356 154 Q HA 0.133 4.473 4.340 -0.000 0.000 0.205 154 Q C 0.650 176.720 176.000 0.117 0.000 0.901 154 Q CA -0.021 55.844 55.803 0.103 0.000 0.938 154 Q CB 0.216 28.968 28.738 0.024 0.000 1.081 154 Q HN 0.404 nan 8.270 nan 0.000 0.517 155 L N 2.709 123.971 121.223 0.065 0.000 2.410 155 L HA 0.145 4.485 4.340 -0.000 0.000 0.273 155 L C -1.664 175.298 176.870 0.155 0.000 1.152 155 L CA -1.650 53.219 54.840 0.049 0.000 0.855 155 L CB 0.847 42.881 42.059 -0.042 0.000 1.129 155 L HN -0.035 nan 8.230 nan 0.000 0.463 156 P HA -0.131 nan 4.420 nan 0.000 0.215 156 P C 1.481 178.886 177.300 0.176 0.000 1.153 156 P CA 1.103 64.333 63.100 0.216 0.000 0.853 156 P CB 0.197 31.968 31.700 0.118 0.000 0.788 157 G N 0.234 109.071 108.800 0.061 0.000 2.485 157 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.221 157 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.221 157 G C 1.580 176.436 174.900 -0.073 0.000 1.115 157 G CA 0.863 45.965 45.100 0.004 0.000 0.751 157 G HN 0.349 nan 8.290 nan 0.000 0.567 158 A N -0.540 122.169 122.820 -0.184 0.000 2.121 158 A HA 0.073 4.393 4.320 -0.000 0.000 0.218 158 A C 1.984 179.161 177.584 -0.678 0.000 1.154 158 A CA 1.181 52.935 52.037 -0.472 0.000 0.679 158 A CB -0.417 18.193 19.000 -0.650 0.000 0.795 158 A HN 0.579 nan 8.150 nan 0.000 0.458 159 W N -0.835 120.474 121.300 0.015 0.000 2.792 159 W HA 0.089 4.749 4.660 -0.000 0.000 0.262 159 W C 2.402 178.948 176.519 0.044 0.000 1.212 159 W CA 0.646 58.014 57.345 0.038 0.000 1.433 159 W CB 0.032 29.518 29.460 0.043 0.000 1.004 159 W HN 0.333 nan 8.180 nan 0.000 0.608 160 S N -1.651 114.170 115.700 0.201 0.000 2.511 160 S HA 0.262 4.732 4.470 -0.000 0.000 0.214 160 S C 0.660 175.318 174.600 0.097 0.000 0.997 160 S CA -0.192 58.093 58.200 0.142 0.000 0.908 160 S CB -0.044 63.228 63.200 0.121 0.000 0.803 160 S HN -0.121 nan 8.310 nan 0.000 0.504 161 S N 0.749 116.490 115.700 0.067 0.000 2.704 161 S HA 0.798 5.268 4.470 -0.000 0.000 0.305 161 S C -1.299 173.367 174.600 0.110 0.000 1.107 161 S CA -0.604 57.635 58.200 0.065 0.000 0.993 161 S CB 1.297 64.502 63.200 0.009 0.000 1.110 161 S HN 0.447 nan 8.310 nan 0.000 0.534 162 F N 1.088 121.018 119.950 -0.033 0.000 2.591 162 F HA 0.639 5.166 4.527 -0.000 0.000 0.309 162 F C -1.738 174.041 175.800 -0.036 0.000 1.098 162 F CA -0.811 57.166 58.000 -0.037 0.000 0.937 162 F CB 0.877 39.863 39.000 -0.024 0.000 1.250 162 F HN 0.421 nan 8.300 nan 0.000 0.447 163 I N 4.879 124.803 120.570 -1.077 0.000 2.389 163 I HA 0.231 4.401 4.170 -0.000 0.000 0.288 163 I C -0.434 175.222 176.117 -0.769 0.000 0.999 163 I CA -0.932 59.969 61.300 -0.664 0.000 1.129 163 I CB 1.302 39.055 38.000 -0.412 0.000 1.288 163 I HN 0.520 nan 8.210 nan 0.000 0.444 164 D N 3.072 123.315 120.400 -0.262 0.000 2.438 164 D HA -0.133 4.507 4.640 -0.000 0.000 0.230 164 D C 0.421 176.676 176.300 -0.076 0.000 1.248 164 D CA 0.708 54.689 54.000 -0.032 0.000 0.883 164 D CB 0.528 41.336 40.800 0.012 0.000 1.233 164 D HN 0.363 nan 8.370 nan 0.000 0.500 165 S N 0.640 116.361 115.700 0.035 0.000 3.489 165 S HA 0.186 4.656 4.470 -0.000 0.000 0.227 165 S C -0.168 174.437 174.600 0.009 0.000 1.360 165 S CA -0.633 57.580 58.200 0.021 0.000 0.934 165 S CB -0.837 62.407 63.200 0.073 0.000 1.410 165 S HN 0.258 nan 8.310 nan 0.000 0.483 166 N N 3.114 121.804 118.700 -0.017 0.000 2.491 166 N HA 0.410 5.150 4.740 -0.000 0.000 0.279 166 N C -1.653 173.855 175.510 -0.003 0.000 1.236 166 N CA -1.808 51.236 53.050 -0.011 0.000 0.982 166 N CB 0.691 39.161 38.487 -0.029 0.000 1.194 166 N HN 0.318 nan 8.380 nan 0.000 0.582 167 P HA 0.002 nan 4.420 nan 0.000 0.228 167 P C -0.594 176.727 177.300 0.035 0.000 1.166 167 P CA 1.000 64.112 63.100 0.019 0.000 0.812 167 P CB 0.392 32.108 31.700 0.027 0.000 0.857 168 E N -0.703 119.520 120.200 0.038 0.000 2.222 168 E HA 0.463 4.813 4.350 -0.000 0.000 0.267 168 E C 0.595 177.200 176.600 0.009 0.000 0.963 168 E CA -0.533 55.909 56.400 0.069 0.000 0.837 168 E CB 1.314 31.070 29.700 0.093 0.000 1.183 168 E HN 0.054 nan 8.360 nan 0.000 0.403 169 G N 1.952 110.775 108.800 0.038 0.000 3.274 169 G HA2 -0.477 3.483 3.960 -0.000 0.000 0.313 169 G HA3 -0.477 3.483 3.960 -0.000 0.000 0.313 169 G C 1.093 175.991 174.900 -0.004 0.000 1.295 169 G CA 0.985 46.073 45.100 -0.019 0.000 1.004 169 G HN 1.074 nan 8.290 nan 0.000 0.614 170 A N 0.869 123.660 122.820 -0.049 0.000 2.292 170 A HA 0.322 4.642 4.320 -0.000 0.000 0.209 170 A C 2.386 179.948 177.584 -0.036 0.000 1.209 170 A CA 2.277 54.275 52.037 -0.064 0.000 0.746 170 A CB -0.765 18.162 19.000 -0.123 0.000 0.764 170 A HN 1.367 nan 8.150 nan 0.000 0.492 171 S N -0.927 114.773 115.700 0.000 0.000 2.389 171 S HA -0.267 4.203 4.470 -0.000 0.000 0.231 171 S C 1.473 176.096 174.600 0.039 0.000 1.052 171 S CA 1.820 60.032 58.200 0.019 0.000 1.053 171 S CB -0.534 62.685 63.200 0.033 0.000 0.886 171 S HN 0.794 nan 8.310 nan 0.000 0.456 172 C N 0.813 120.137 119.300 0.040 0.000 2.754 172 C HA 0.402 4.862 4.460 -0.000 0.000 0.276 172 C C 1.875 176.867 174.990 0.004 0.000 1.264 172 C CA -0.506 58.541 59.018 0.048 0.000 1.700 172 C CB -1.485 26.294 27.740 0.064 0.000 1.885 172 C HN 0.522 nan 8.230 nan 0.000 0.607 173 L N 0.815 122.018 121.223 -0.033 0.000 2.478 173 L HA 0.070 4.410 4.340 -0.000 0.000 0.223 173 L C 2.628 179.458 176.870 -0.067 0.000 1.140 173 L CA 0.913 55.705 54.840 -0.079 0.000 0.842 173 L CB -0.613 41.365 42.059 -0.134 0.000 0.953 173 L HN 0.528 nan 8.230 nan 0.000 0.452 174 G N 1.455 110.241 108.800 -0.025 0.000 2.505 174 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.220 174 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.220 174 G C -0.699 174.234 174.900 0.054 0.000 1.145 174 G CA 0.739 45.849 45.100 0.017 0.000 0.761 174 G HN 0.335 nan 8.290 nan 0.000 0.571 175 P HA -0.083 nan 4.420 nan 0.000 0.218 175 P C 2.192 179.587 177.300 0.158 0.000 1.148 175 P CA 0.942 64.138 63.100 0.161 0.000 0.822 175 P CB -0.015 31.693 31.700 0.013 0.000 0.784 176 M N -0.578 119.018 119.600 -0.007 0.000 2.106 176 M HA -0.151 4.329 4.480 -0.000 0.000 0.259 176 M C 2.041 178.312 176.300 -0.048 0.000 1.068 176 M CA 2.006 57.245 55.300 -0.102 0.000 1.100 176 M CB -2.067 30.404 32.600 -0.216 0.000 1.351 176 M HN -0.082 nan 8.290 nan 0.000 0.404 177 A N -0.066 122.757 122.820 0.006 0.000 2.225 177 A HA 0.086 4.406 4.320 -0.000 0.000 0.215 177 A C 2.272 179.862 177.584 0.010 0.000 1.164 177 A CA 1.543 53.599 52.037 0.032 0.000 0.710 177 A CB -1.225 17.826 19.000 0.084 0.000 0.780 177 A HN 0.586 nan 8.150 nan 0.000 0.473 178 G N -0.834 107.974 108.800 0.013 0.000 2.777 178 G HA2 0.294 4.253 3.960 -0.000 0.000 0.211 178 G HA3 0.294 4.253 3.960 -0.000 0.000 0.211 178 G C 0.542 175.359 174.900 -0.137 0.000 1.149 178 G CA -0.342 44.619 45.100 -0.232 0.000 0.785 178 G HN 0.416 nan 8.290 nan 0.000 0.536 179 L N 0.920 122.221 121.223 0.131 0.000 2.499 179 L HA 0.169 4.508 4.340 -0.000 0.000 0.273 179 L C 1.038 178.070 176.870 0.269 0.000 1.195 179 L CA 0.198 55.201 54.840 0.272 0.000 0.882 179 L CB 0.827 43.022 42.059 0.227 0.000 1.133 179 L HN 0.215 nan 8.230 nan 0.000 0.483 180 E N 1.774 122.153 120.200 0.299 0.000 2.539 180 E HA 0.111 4.461 4.350 -0.000 0.000 0.215 180 E C -0.128 176.593 176.600 0.202 0.000 0.965 180 E CA -0.139 56.381 56.400 0.200 0.000 1.019 180 E CB 0.737 30.498 29.700 0.101 0.000 1.059 180 E HN 0.526 nan 8.360 nan 0.000 0.496 181 K N 1.489 122.048 120.400 0.264 0.000 2.126 181 K HA 0.173 4.493 4.320 -0.000 0.000 0.257 181 K C 0.335 176.953 176.600 0.031 0.000 1.007 181 K CA -0.413 55.884 56.287 0.016 0.000 0.928 181 K CB 0.726 33.039 32.500 -0.312 0.000 1.013 181 K HN -0.126 nan 8.250 nan 0.000 0.473 182 Q N 1.748 121.492 119.800 -0.092 0.000 2.373 182 Q HA -0.016 4.324 4.340 -0.000 0.000 0.255 182 Q C 1.053 176.927 176.000 -0.210 0.000 0.980 182 Q CA 0.414 56.165 55.803 -0.086 0.000 0.882 182 Q CB 0.854 29.530 28.738 -0.104 0.000 1.249 182 Q HN 0.569 nan 8.270 nan 0.000 0.438 183 R N 1.774 122.068 120.500 -0.344 0.000 2.119 183 R HA -0.254 4.086 4.340 -0.000 0.000 0.246 183 R C 1.014 177.082 176.300 -0.386 0.000 1.146 183 R CA 2.096 57.736 56.100 -0.766 0.000 0.962 183 R CB 0.252 29.846 30.300 -1.175 0.000 0.863 183 R HN 0.540 nan 8.270 nan 0.000 0.442 184 E N 0.413 120.452 120.200 -0.268 0.000 2.160 184 E HA -0.198 4.152 4.350 -0.000 0.000 0.195 184 E C 2.023 178.571 176.600 -0.087 0.000 0.991 184 E CA 1.411 57.718 56.400 -0.155 0.000 0.810 184 E CB -0.081 29.536 29.700 -0.138 0.000 0.742 184 E HN 0.518 nan 8.360 nan 0.000 0.466 185 Q N -0.960 118.738 119.800 -0.170 0.000 2.083 185 Q HA -0.128 4.212 4.340 -0.000 0.000 0.198 185 Q C 1.687 177.674 176.000 -0.023 0.000 0.969 185 Q CA 1.097 56.823 55.803 -0.129 0.000 0.838 185 Q CB -0.149 28.419 28.738 -0.283 0.000 0.900 185 Q HN 0.391 nan 8.270 nan 0.000 0.436 186 Y N 0.107 120.500 120.300 0.155 0.000 2.224 186 Y HA -0.165 4.384 4.550 -0.000 0.000 0.289 186 Y C 2.347 178.378 175.900 0.217 0.000 1.146 186 Y CA 0.986 59.249 58.100 0.272 0.000 1.182 186 Y CB -0.713 37.968 38.460 0.369 0.000 0.983 186 Y HN 0.128 nan 8.280 nan 0.000 0.524 187 A N -1.020 121.945 122.820 0.241 0.000 1.969 187 A HA -0.210 4.110 4.320 -0.000 0.000 0.218 187 A C 2.063 179.743 177.584 0.160 0.000 1.169 187 A CA 1.345 53.478 52.037 0.160 0.000 0.635 187 A CB -1.193 17.847 19.000 0.066 0.000 0.810 187 A HN 0.536 nan 8.150 nan 0.000 0.445 188 Y N 0.750 121.067 120.300 0.029 0.000 2.163 188 Y HA -0.056 4.494 4.550 -0.000 0.000 0.288 188 Y C 2.627 178.539 175.900 0.021 0.000 1.136 188 Y CA 1.044 59.150 58.100 0.011 0.000 1.147 188 Y CB -0.662 37.788 38.460 -0.017 0.000 0.987 188 Y HN 0.302 nan 8.280 nan 0.000 0.509 189 A N -0.436 122.404 122.820 0.033 0.000 1.883 189 A HA -0.191 4.129 4.320 -0.000 0.000 0.217 189 A C 2.354 179.893 177.584 -0.074 0.000 1.186 189 A CA 2.326 54.313 52.037 -0.083 0.000 0.624 189 A CB -1.405 17.607 19.000 0.021 0.000 0.822 189 A HN 0.326 nan 8.150 nan 0.000 0.444 190 V N -0.183 119.783 119.914 0.087 0.000 2.490 190 V HA -0.265 3.855 4.120 -0.000 0.000 0.250 190 V C 2.436 178.510 176.094 -0.034 0.000 1.061 190 V CA 2.317 64.656 62.300 0.064 0.000 1.064 190 V CB -0.738 31.152 31.823 0.111 0.000 0.670 190 V HN 0.706 nan 8.190 nan 0.000 0.461 191 E N -0.023 120.142 120.200 -0.058 0.000 2.072 191 E HA -0.182 4.168 4.350 -0.000 0.000 0.191 191 E C 2.284 178.799 176.600 -0.142 0.000 0.985 191 E CA 1.237 57.588 56.400 -0.082 0.000 0.801 191 E CB -0.248 29.411 29.700 -0.069 0.000 0.750 191 E HN 0.598 nan 8.360 nan 0.000 0.452 192 A N 0.447 123.112 122.820 -0.257 0.000 1.930 192 A HA -0.118 4.202 4.320 -0.000 0.000 0.217 192 A C 2.085 179.585 177.584 -0.140 0.000 1.175 192 A CA 0.848 52.741 52.037 -0.240 0.000 0.627 192 A CB -0.456 18.300 19.000 -0.407 0.000 0.815 192 A HN 0.227 nan 8.150 nan 0.000 0.443 193 L N -0.494 120.627 121.223 -0.169 0.000 2.093 193 L HA -0.094 4.246 4.340 -0.000 0.000 0.208 193 L C 2.320 179.134 176.870 -0.094 0.000 1.085 193 L CA 1.323 56.060 54.840 -0.172 0.000 0.755 193 L CB -0.231 41.683 42.059 -0.243 0.000 0.904 193 L HN 0.271 nan 8.230 nan 0.000 0.435 194 S N -1.600 114.059 115.700 -0.069 0.000 2.603 194 S HA -0.032 4.438 4.470 -0.000 0.000 0.220 194 S C 0.489 175.083 174.600 -0.011 0.000 0.967 194 S CA 0.083 58.260 58.200 -0.038 0.000 0.920 194 S CB -0.247 62.934 63.200 -0.032 0.000 0.773 194 S HN 0.268 nan 8.310 nan 0.000 0.529 195 D N 2.302 122.700 120.400 -0.004 0.000 2.380 195 D HA 0.184 4.824 4.640 -0.000 0.000 0.230 195 D C -1.580 174.750 176.300 0.050 0.000 1.154 195 D CA -2.278 51.735 54.000 0.022 0.000 0.859 195 D CB 1.512 42.325 40.800 0.022 0.000 1.045 195 D HN 0.041 nan 8.370 nan 0.000 0.495 196 P HA -0.130 nan 4.420 nan 0.000 0.222 196 P C 0.889 178.235 177.300 0.077 0.000 1.147 196 P CA 0.747 63.889 63.100 0.070 0.000 0.790 196 P CB 0.524 32.264 31.700 0.066 0.000 0.780 197 K N -0.518 119.922 120.400 0.066 0.000 2.365 197 K HA 0.008 4.328 4.320 -0.000 0.000 0.199 197 K C 2.256 178.901 176.600 0.075 0.000 1.045 197 K CA 0.700 57.024 56.287 0.062 0.000 0.962 197 K CB 0.079 32.609 32.500 0.050 0.000 0.759 197 K HN 0.088 nan 8.250 nan 0.000 0.469 198 R N -0.940 119.627 120.500 0.112 0.000 2.310 198 R HA 0.106 4.446 4.340 -0.000 0.000 0.199 198 R C -0.080 176.396 176.300 0.293 0.000 0.891 198 R CA 0.510 56.724 56.100 0.191 0.000 1.060 198 R CB 1.206 31.664 30.300 0.264 0.000 1.188 198 R HN -0.090 nan 8.270 nan 0.000 0.607 199 T N 0.740 115.428 114.554 0.224 0.000 2.848 199 T HA 0.380 4.730 4.350 -0.000 0.000 0.285 199 T C -1.119 173.675 174.700 0.158 0.000 0.995 199 T CA -0.611 61.640 62.100 0.251 0.000 0.970 199 T CB 2.595 71.589 68.868 0.209 0.000 0.976 199 T HN 0.017 nan 8.240 nan 0.000 0.441 200 R N 3.054 123.641 120.500 0.146 0.000 2.534 200 R HA 0.569 4.909 4.340 -0.000 0.000 0.301 200 R C -1.341 174.988 176.300 0.047 0.000 0.961 200 R CA -0.858 55.280 56.100 0.064 0.000 0.871 200 R CB 0.898 31.166 30.300 -0.052 0.000 1.170 200 R HN 0.402 nan 8.270 nan 0.000 0.446 201 L N 6.210 127.461 121.223 0.047 0.000 2.296 201 L HA 0.456 4.796 4.340 -0.000 0.000 0.286 201 L C -1.348 175.508 176.870 -0.023 0.000 1.023 201 L CA -0.500 54.346 54.840 0.009 0.000 0.812 201 L CB 1.751 43.816 42.059 0.010 0.000 1.223 201 L HN 0.460 nan 8.230 nan 0.000 0.421 202 V N 6.698 126.515 119.914 -0.162 0.000 2.357 202 V HA 0.350 4.470 4.120 -0.000 0.000 0.284 202 V C 0.288 176.356 176.094 -0.044 0.000 1.018 202 V CA -0.621 61.581 62.300 -0.164 0.000 0.841 202 V CB 1.613 33.135 31.823 -0.502 0.000 0.991 202 V HN 0.583 nan 8.190 nan 0.000 0.437 203 L N 5.830 127.055 121.223 0.003 0.000 2.278 203 L HA 0.440 4.780 4.340 -0.000 0.000 0.287 203 L C -0.188 176.690 176.870 0.013 0.000 1.072 203 L CA -0.330 54.522 54.840 0.021 0.000 0.819 203 L CB 1.145 43.211 42.059 0.012 0.000 1.176 203 L HN 0.345 nan 8.230 nan 0.000 0.435 204 V N 3.259 123.198 119.914 0.041 0.000 2.439 204 V HA 0.786 4.906 4.120 -0.000 0.000 0.282 204 V C 0.420 176.515 176.094 0.001 0.000 1.039 204 V CA -0.197 62.114 62.300 0.019 0.000 0.913 204 V CB 1.164 33.014 31.823 0.046 0.000 0.983 204 V HN 0.949 nan 8.190 nan 0.000 0.460 205 A N 5.942 128.750 122.820 -0.021 0.000 2.524 205 A HA 0.967 5.287 4.320 -0.000 0.000 0.289 205 A C -0.837 176.730 177.584 -0.030 0.000 1.248 205 A CA -0.910 51.115 52.037 -0.021 0.000 0.712 205 A CB 1.912 20.897 19.000 -0.025 0.000 1.312 205 A HN 0.606 nan 8.150 nan 0.000 0.441 206 R N -0.387 120.097 120.500 -0.027 0.000 2.837 206 R HA 0.453 4.793 4.340 -0.000 0.000 0.271 206 R C -1.152 175.127 176.300 -0.035 0.000 0.993 206 R CA -0.774 55.309 56.100 -0.028 0.000 0.931 206 R CB 1.425 31.715 30.300 -0.016 0.000 1.206 206 R HN 0.611 nan 8.270 nan 0.000 0.474 207 L N 2.707 123.905 121.223 -0.042 0.000 2.376 207 L HA 0.149 4.489 4.340 -0.000 0.000 0.250 207 L C 0.207 177.052 176.870 -0.041 0.000 1.335 207 L CA 0.403 55.211 54.840 -0.053 0.000 1.214 207 L CB -0.321 41.692 42.059 -0.075 0.000 1.395 207 L HN 0.351 nan 8.230 nan 0.000 0.424 208 Q N 0.742 120.524 119.800 -0.031 0.000 2.289 208 Q HA 0.153 4.493 4.340 -0.000 0.000 0.270 208 Q C 0.430 176.418 176.000 -0.020 0.000 1.038 208 Q CA -0.664 55.126 55.803 -0.022 0.000 0.812 208 Q CB 2.240 30.971 28.738 -0.012 0.000 1.300 208 Q HN 0.233 nan 8.270 nan 0.000 0.427 209 K N 1.163 121.552 120.400 -0.018 0.000 2.059 209 K HA -0.215 4.105 4.320 -0.000 0.000 0.212 209 K C 1.769 178.364 176.600 -0.008 0.000 1.050 209 K CA 2.387 58.666 56.287 -0.014 0.000 0.927 209 K CB -0.126 32.367 32.500 -0.011 0.000 0.714 209 K HN 0.565 nan 8.250 nan 0.000 0.447 210 S N -0.977 114.720 115.700 -0.006 0.000 2.356 210 S HA -0.138 4.332 4.470 -0.000 0.000 0.223 210 S C 1.797 176.395 174.600 -0.003 0.000 1.032 210 S CA 1.996 60.194 58.200 -0.003 0.000 1.005 210 S CB -0.498 62.701 63.200 -0.002 0.000 0.867 210 S HN 0.496 nan 8.310 nan 0.000 0.449 211 T N 2.902 117.453 114.554 -0.006 0.000 2.777 211 T HA 0.030 4.380 4.350 -0.000 0.000 0.266 211 T C 1.658 176.354 174.700 -0.006 0.000 1.040 211 T CA 0.982 63.079 62.100 -0.005 0.000 1.141 211 T CB -0.290 68.574 68.868 -0.008 0.000 0.868 211 T HN 0.194 nan 8.240 nan 0.000 0.444 212 L N 1.446 122.662 121.223 -0.011 0.000 2.191 212 L HA -0.016 4.324 4.340 -0.000 0.000 0.212 212 L C 2.610 179.478 176.870 -0.004 0.000 1.103 212 L CA 1.434 56.266 54.840 -0.013 0.000 0.769 212 L CB -1.350 40.695 42.059 -0.022 0.000 0.908 212 L HN 0.251 nan 8.230 nan 0.000 0.438 213 Q N -0.403 119.397 119.800 -0.000 0.000 2.020 213 Q HA -0.242 4.098 4.340 -0.000 0.000 0.202 213 Q C 2.161 178.169 176.000 0.013 0.000 0.982 213 Q CA 1.550 57.358 55.803 0.007 0.000 0.838 213 Q CB -0.084 28.658 28.738 0.008 0.000 0.899 213 Q HN 0.436 nan 8.270 nan 0.000 0.423 214 E N 0.268 120.474 120.200 0.010 0.000 2.051 214 E HA -0.110 4.240 4.350 -0.000 0.000 0.192 214 E C 2.038 178.650 176.600 0.020 0.000 0.991 214 E CA 1.071 57.478 56.400 0.013 0.000 0.799 214 E CB -0.236 29.469 29.700 0.007 0.000 0.748 214 E HN 0.097 nan 8.360 nan 0.000 0.449 215 V N 1.072 120.996 119.914 0.018 0.000 2.332 215 V HA -0.286 3.834 4.120 -0.000 0.000 0.248 215 V C 2.437 178.561 176.094 0.049 0.000 1.055 215 V CA 1.946 64.261 62.300 0.026 0.000 1.038 215 V CB -1.132 30.695 31.823 0.008 0.000 0.651 215 V HN 0.448 nan 8.190 nan 0.000 0.450 216 A N -0.223 122.621 122.820 0.041 0.000 1.978 216 A HA -0.273 4.047 4.320 -0.000 0.000 0.220 216 A C 2.339 179.975 177.584 0.087 0.000 1.170 216 A CA 2.186 54.266 52.037 0.072 0.000 0.636 216 A CB -0.518 18.506 19.000 0.041 0.000 0.810 216 A HN 0.483 nan 8.150 nan 0.000 0.448 217 R N -0.862 119.668 120.500 0.049 0.000 2.066 217 R HA -0.068 4.272 4.340 -0.000 0.000 0.232 217 R C 2.291 178.606 176.300 0.025 0.000 1.131 217 R CA 2.095 58.212 56.100 0.029 0.000 0.955 217 R CB -0.720 29.592 30.300 0.020 0.000 0.851 217 R HN 0.491 nan 8.270 nan 0.000 0.432 218 T N -0.382 114.195 114.554 0.038 0.000 2.746 218 T HA -0.206 4.144 4.350 -0.000 0.000 0.267 218 T C 1.442 176.166 174.700 0.040 0.000 1.039 218 T CA 1.833 63.952 62.100 0.031 0.000 1.142 218 T CB -0.522 68.369 68.868 0.038 0.000 0.866 218 T HN 0.460 nan 8.240 nan 0.000 0.444 219 H N 1.381 120.443 119.070 -0.015 0.000 2.289 219 H HA -0.006 4.550 4.556 -0.000 0.000 0.296 219 H C 2.043 177.359 175.328 -0.020 0.000 1.091 219 H CA 1.552 57.590 56.048 -0.018 0.000 1.274 219 H CB -0.737 29.014 29.762 -0.018 0.000 1.364 219 H HN 0.266 nan 8.280 nan 0.000 0.490 220 L N 0.011 121.088 121.223 -0.242 0.000 2.012 220 L HA -0.169 4.171 4.340 -0.000 0.000 0.210 220 L C 2.715 179.471 176.870 -0.190 0.000 1.073 220 L CA 1.863 56.536 54.840 -0.278 0.000 0.748 220 L CB -0.506 41.486 42.059 -0.112 0.000 0.891 220 L HN 0.454 nan 8.230 nan 0.000 0.431 221 E N 0.095 120.231 120.200 -0.108 0.000 2.051 221 E HA -0.223 4.127 4.350 -0.000 0.000 0.192 221 E C 2.329 178.876 176.600 -0.089 0.000 0.991 221 E CA 1.157 57.511 56.400 -0.077 0.000 0.799 221 E CB -0.071 29.604 29.700 -0.041 0.000 0.748 221 E HN 0.446 nan 8.360 nan 0.000 0.449 222 L N 0.044 121.212 121.223 -0.092 0.000 2.201 222 L HA -0.119 4.221 4.340 -0.000 0.000 0.212 222 L C 2.464 179.272 176.870 -0.104 0.000 1.105 222 L CA 0.681 55.469 54.840 -0.086 0.000 0.775 222 L CB -0.354 41.668 42.059 -0.062 0.000 0.913 222 L HN 0.151 nan 8.230 nan 0.000 0.440 223 A N 0.236 122.955 122.820 -0.168 0.000 1.872 223 A HA -0.058 4.262 4.320 -0.000 0.000 0.214 223 A C 2.558 180.073 177.584 -0.114 0.000 1.187 223 A CA 1.358 53.297 52.037 -0.165 0.000 0.614 223 A CB -0.614 18.199 19.000 -0.312 0.000 0.826 223 A HN 0.339 nan 8.150 nan 0.000 0.442 224 A N -0.321 122.429 122.820 -0.117 0.000 1.978 224 A HA -0.097 4.223 4.320 -0.000 0.000 0.220 224 A C 2.091 179.638 177.584 -0.061 0.000 1.170 224 A CA 1.501 53.490 52.037 -0.079 0.000 0.636 224 A CB -0.564 18.392 19.000 -0.073 0.000 0.810 224 A HN 0.506 nan 8.150 nan 0.000 0.448 225 I N -2.027 118.503 120.570 -0.066 0.000 2.439 225 I HA -0.058 4.112 4.170 -0.000 0.000 0.251 225 I C 1.839 177.927 176.117 -0.049 0.000 1.139 225 I CA 1.321 62.587 61.300 -0.057 0.000 1.438 225 I CB 0.142 38.103 38.000 -0.066 0.000 1.085 225 I HN 0.526 nan 8.210 nan 0.000 0.427 226 G N -0.063 108.706 108.800 -0.051 0.000 2.485 226 G HA2 -0.139 3.821 3.960 -0.000 0.000 0.181 226 G HA3 -0.139 3.821 3.960 -0.000 0.000 0.181 226 G C -0.024 174.855 174.900 -0.035 0.000 0.999 226 G CA -0.635 44.442 45.100 -0.038 0.000 0.721 226 G HN 0.068 nan 8.290 nan 0.000 0.486 227 L N 1.877 123.071 121.223 -0.048 0.000 2.385 227 L HA 0.465 4.805 4.340 -0.000 0.000 0.285 227 L C 1.191 178.056 176.870 -0.008 0.000 1.125 227 L CA 0.471 55.289 54.840 -0.035 0.000 0.890 227 L CB 0.980 43.002 42.059 -0.062 0.000 1.251 227 L HN 0.153 nan 8.230 nan 0.000 0.445 228 K N 1.326 121.735 120.400 0.015 0.000 2.387 228 K HA 0.157 4.477 4.320 -0.000 0.000 0.203 228 K C 0.443 177.086 176.600 0.073 0.000 1.030 228 K CA -0.026 56.284 56.287 0.039 0.000 1.099 228 K CB 0.330 32.843 32.500 0.021 0.000 0.863 228 K HN 0.440 nan 8.250 nan 0.000 0.529 229 N N 2.284 121.036 118.700 0.087 0.000 3.105 229 N HA 0.061 4.801 4.740 -0.000 0.000 0.256 229 N C -1.014 174.612 175.510 0.195 0.000 1.174 229 N CA -0.084 53.052 53.050 0.143 0.000 1.030 229 N CB 0.392 38.961 38.487 0.138 0.000 1.305 229 N HN 0.129 nan 8.380 nan 0.000 0.509 230 Q N 1.754 121.662 119.800 0.180 0.000 2.309 230 Q HA 0.333 4.673 4.340 -0.000 0.000 0.264 230 Q C -1.531 174.573 176.000 0.173 0.000 1.008 230 Q CA -0.610 55.306 55.803 0.188 0.000 0.853 230 Q CB 2.050 30.884 28.738 0.160 0.000 1.314 230 Q HN 0.401 nan 8.270 nan 0.000 0.448 231 Y N 0.727 121.009 120.300 -0.030 0.000 2.462 231 Y HA 0.436 4.986 4.550 -0.000 0.000 0.346 231 Y C -0.836 175.023 175.900 -0.068 0.000 0.976 231 Y CA -0.992 57.090 58.100 -0.030 0.000 1.044 231 Y CB 1.570 40.043 38.460 0.021 0.000 1.230 231 Y HN 0.492 nan 8.280 nan 0.000 0.455 232 L N 3.662 124.913 121.223 0.046 0.000 2.282 232 L HA 0.777 5.117 4.340 -0.000 0.000 0.288 232 L C -1.342 175.520 176.870 -0.013 0.000 1.033 232 L CA -0.509 54.320 54.840 -0.017 0.000 0.807 232 L CB 1.039 43.054 42.059 -0.072 0.000 1.209 232 L HN 0.413 nan 8.230 nan 0.000 0.423 233 V N 7.070 126.946 119.914 -0.063 0.000 2.376 233 V HA 0.408 4.528 4.120 -0.000 0.000 0.287 233 V C -0.002 176.040 176.094 -0.088 0.000 1.015 233 V CA -0.420 61.812 62.300 -0.113 0.000 0.834 233 V CB 1.429 33.077 31.823 -0.291 0.000 1.001 233 V HN 0.592 nan 8.190 nan 0.000 0.428 234 I N 5.145 125.667 120.570 -0.080 0.000 2.301 234 I HA 0.316 4.486 4.170 -0.000 0.000 0.292 234 I C 0.559 176.620 176.117 -0.095 0.000 1.046 234 I CA 0.187 61.439 61.300 -0.080 0.000 1.282 234 I CB 0.494 38.444 38.000 -0.084 0.000 1.409 234 I HN 0.640 nan 8.210 nan 0.000 0.484 235 N N 4.147 122.803 118.700 -0.074 0.000 2.482 235 N HA 0.259 4.999 4.740 -0.000 0.000 0.279 235 N C 0.977 176.462 175.510 -0.042 0.000 1.182 235 N CA 0.279 53.291 53.050 -0.064 0.000 0.969 235 N CB 1.411 39.867 38.487 -0.052 0.000 1.201 235 N HN 0.826 nan 8.380 nan 0.000 0.523 236 G N 0.509 109.299 108.800 -0.016 0.000 2.233 236 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.270 236 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.270 236 G C 0.110 175.038 174.900 0.046 0.000 1.011 236 G CA 0.317 45.432 45.100 0.025 0.000 0.762 236 G HN 0.438 nan 8.290 nan 0.000 0.511 237 V N 1.394 121.316 119.914 0.013 0.000 2.673 237 V HA 0.194 4.314 4.120 -0.000 0.000 0.303 237 V C 1.235 177.475 176.094 0.244 0.000 1.046 237 V CA -0.355 61.974 62.300 0.048 0.000 1.126 237 V CB 1.538 33.309 31.823 -0.086 0.000 0.934 237 V HN 0.391 nan 8.190 nan 0.000 0.487 238 L N 8.610 129.963 121.223 0.216 0.000 2.313 238 L HA 0.402 4.742 4.340 -0.000 0.000 0.282 238 L C -1.987 175.120 176.870 0.394 0.000 1.092 238 L CA -1.366 53.638 54.840 0.272 0.000 0.831 238 L CB 1.445 43.635 42.059 0.217 0.000 1.159 238 L HN 0.487 nan 8.230 nan 0.000 0.442 239 P HA 0.073 nan 4.420 nan 0.000 0.276 239 P C 0.151 177.582 177.300 0.219 0.000 1.235 239 P CA -0.327 62.868 63.100 0.158 0.000 0.772 239 P CB 0.905 32.445 31.700 -0.267 0.000 0.871 240 K N 2.299 122.888 120.400 0.315 0.000 2.173 240 K HA -0.158 4.162 4.320 -0.000 0.000 0.207 240 K C 1.324 177.807 176.600 -0.194 0.000 1.046 240 K CA 1.522 57.754 56.287 -0.092 0.000 0.929 240 K CB -0.325 32.153 32.500 -0.036 0.000 0.720 240 K HN 0.371 nan 8.250 nan 0.000 0.453 241 T N 0.507 115.003 114.554 -0.096 0.000 3.722 241 T HA 0.020 4.370 4.350 -0.000 0.000 0.247 241 T C 0.312 174.962 174.700 -0.085 0.000 1.004 241 T CA 0.289 62.325 62.100 -0.106 0.000 0.947 241 T CB -0.075 68.734 68.868 -0.097 0.000 1.114 241 T HN 0.241 nan 8.240 nan 0.000 0.633 242 E N -0.847 119.306 120.200 -0.079 0.000 2.646 242 E HA 0.271 4.620 4.350 -0.000 0.000 0.207 242 E C 1.580 178.153 176.600 -0.046 0.000 0.922 242 E CA 0.313 56.689 56.400 -0.039 0.000 1.482 242 E CB 0.038 29.743 29.700 0.009 0.000 1.509 242 E HN 0.438 nan 8.360 nan 0.000 0.831 243 A N 1.266 124.020 122.820 -0.110 0.000 2.235 243 A HA 0.324 4.644 4.320 -0.000 0.000 0.208 243 A C 1.993 179.494 177.584 -0.138 0.000 1.172 243 A CA 1.095 53.056 52.037 -0.127 0.000 0.786 243 A CB -0.223 18.598 19.000 -0.299 0.000 0.804 243 A HN 0.178 nan 8.150 nan 0.000 0.479 244 A N 1.378 124.119 122.820 -0.132 0.000 2.021 244 A HA -0.266 4.054 4.320 -0.000 0.000 0.206 244 A C 2.147 179.689 177.584 -0.071 0.000 1.210 244 A CA 1.811 53.784 52.037 -0.108 0.000 0.733 244 A CB -0.882 18.065 19.000 -0.088 0.000 0.839 244 A HN 0.575 nan 8.150 nan 0.000 0.495 245 N N 0.514 119.184 118.700 -0.049 0.000 2.022 245 N HA -0.140 4.600 4.740 -0.000 0.000 0.195 245 N C 0.368 175.864 175.510 -0.022 0.000 1.063 245 N CA 1.405 54.435 53.050 -0.032 0.000 0.851 245 N CB -0.882 37.591 38.487 -0.023 0.000 1.050 245 N HN 0.479 nan 8.380 nan 0.000 0.425 246 D N -0.782 119.610 120.400 -0.014 0.000 2.474 246 D HA -0.021 4.619 4.640 -0.000 0.000 0.232 246 D C 0.625 176.927 176.300 0.003 0.000 1.177 246 D CA 0.654 54.654 54.000 -0.001 0.000 0.876 246 D CB 0.845 41.651 40.800 0.008 0.000 1.208 246 D HN 0.209 nan 8.370 nan 0.000 0.464 247 T N 2.234 116.796 114.554 0.012 0.000 3.031 247 T HA -0.041 4.309 4.350 -0.000 0.000 0.254 247 T C 1.593 176.314 174.700 0.035 0.000 1.060 247 T CA 0.005 62.116 62.100 0.019 0.000 1.135 247 T CB -0.053 68.826 68.868 0.018 0.000 0.896 247 T HN 0.290 nan 8.240 nan 0.000 0.472 248 L N 2.101 123.346 121.223 0.037 0.000 2.023 248 L HA 0.250 4.590 4.340 -0.000 0.000 0.205 248 L C 2.611 179.520 176.870 0.065 0.000 1.073 248 L CA 1.849 56.718 54.840 0.048 0.000 0.745 248 L CB -1.109 40.975 42.059 0.042 0.000 0.900 248 L HN 0.193 nan 8.230 nan 0.000 0.435 249 A N -0.365 122.492 122.820 0.061 0.000 1.978 249 A HA -0.150 4.170 4.320 -0.000 0.000 0.220 249 A C 2.413 180.071 177.584 0.123 0.000 1.170 249 A CA 1.928 54.015 52.037 0.085 0.000 0.636 249 A CB -1.145 17.889 19.000 0.057 0.000 0.810 249 A HN 0.612 nan 8.150 nan 0.000 0.448 250 A N -0.430 122.440 122.820 0.084 0.000 1.929 250 A HA 0.268 4.588 4.320 -0.000 0.000 0.216 250 A C 2.454 180.142 177.584 0.173 0.000 1.176 250 A CA 1.732 53.827 52.037 0.096 0.000 0.628 250 A CB -0.832 18.184 19.000 0.026 0.000 0.816 250 A HN 0.999 nan 8.150 nan 0.000 0.444 251 A N -0.094 122.801 122.820 0.125 0.000 1.930 251 A HA 0.008 4.328 4.320 -0.000 0.000 0.217 251 A C 2.094 179.756 177.584 0.130 0.000 1.175 251 A CA 1.341 53.447 52.037 0.116 0.000 0.627 251 A CB -0.499 18.546 19.000 0.076 0.000 0.815 251 A HN 0.482 nan 8.150 nan 0.000 0.443 252 I N -2.569 118.083 120.570 0.136 0.000 2.133 252 I HA -0.248 3.922 4.170 -0.000 0.000 0.238 252 I C 2.418 178.627 176.117 0.153 0.000 1.074 252 I CA 1.551 62.923 61.300 0.120 0.000 1.342 252 I CB -0.435 37.631 38.000 0.111 0.000 1.053 252 I HN 0.692 nan 8.210 nan 0.000 0.404 253 W N 2.288 123.607 121.300 0.032 0.000 2.308 253 W HA -0.303 4.357 4.660 -0.000 0.000 0.301 253 W C 2.524 179.062 176.519 0.033 0.000 1.220 253 W CA 2.294 59.662 57.345 0.038 0.000 1.240 253 W CB -0.079 29.403 29.460 0.036 0.000 1.142 253 W HN 0.192 nan 8.180 nan 0.000 0.521 254 E N 0.232 120.637 120.200 0.342 0.000 2.047 254 E HA -0.295 4.055 4.350 -0.000 0.000 0.191 254 E C 2.323 178.906 176.600 -0.028 0.000 0.987 254 E CA 1.454 57.963 56.400 0.183 0.000 0.799 254 E CB -0.468 29.374 29.700 0.236 0.000 0.752 254 E HN 0.281 nan 8.360 nan 0.000 0.449 255 R N 0.433 120.936 120.500 0.005 0.000 2.105 255 R HA -0.150 4.190 4.340 -0.000 0.000 0.239 255 R C 2.119 178.370 176.300 -0.083 0.000 1.135 255 R CA 1.924 58.010 56.100 -0.024 0.000 0.967 255 R CB 0.043 30.346 30.300 0.006 0.000 0.861 255 R HN 0.293 nan 8.270 nan 0.000 0.442 256 E N -0.497 119.623 120.200 -0.133 0.000 2.076 256 E HA -0.184 4.166 4.350 -0.000 0.000 0.190 256 E C 2.050 178.491 176.600 -0.266 0.000 0.979 256 E CA 0.684 56.978 56.400 -0.177 0.000 0.807 256 E CB 0.003 29.596 29.700 -0.179 0.000 0.761 256 E HN 0.224 nan 8.360 nan 0.000 0.454 257 Q N 1.000 120.533 119.800 -0.444 0.000 2.170 257 Q HA -0.156 4.184 4.340 -0.000 0.000 0.203 257 Q C 1.870 177.720 176.000 -0.251 0.000 0.976 257 Q CA 1.175 56.684 55.803 -0.491 0.000 0.858 257 Q CB -0.069 28.143 28.738 -0.876 0.000 0.907 257 Q HN 0.257 nan 8.270 nan 0.000 0.433 258 E N -0.749 119.347 120.200 -0.174 0.000 2.028 258 E HA -0.164 4.186 4.350 -0.000 0.000 0.191 258 E C 1.734 178.284 176.600 -0.083 0.000 0.988 258 E CA 1.055 57.398 56.400 -0.094 0.000 0.799 258 E CB -0.031 29.636 29.700 -0.056 0.000 0.755 258 E HN 0.320 nan 8.360 nan 0.000 0.447 259 A N 2.453 125.222 122.820 -0.086 0.000 1.865 259 A HA -0.185 4.135 4.320 -0.000 0.000 0.217 259 A C 2.268 179.805 177.584 -0.078 0.000 1.191 259 A CA 1.426 53.421 52.037 -0.069 0.000 0.623 259 A CB -0.982 17.979 19.000 -0.064 0.000 0.826 259 A HN 0.434 nan 8.150 nan 0.000 0.444 260 L N -0.493 120.667 121.223 -0.105 0.000 2.137 260 L HA -0.222 4.118 4.340 -0.000 0.000 0.213 260 L C 2.347 179.167 176.870 -0.083 0.000 1.085 260 L CA 2.759 57.537 54.840 -0.103 0.000 0.760 260 L CB -1.107 40.868 42.059 -0.140 0.000 0.893 260 L HN 0.420 nan 8.230 nan 0.000 0.434 261 A N -0.790 121.981 122.820 -0.082 0.000 2.044 261 A HA -0.021 4.299 4.320 -0.000 0.000 0.213 261 A C 1.444 179.002 177.584 -0.044 0.000 1.169 261 A CA 0.542 52.544 52.037 -0.058 0.000 0.724 261 A CB -0.344 18.622 19.000 -0.056 0.000 0.840 261 A HN 0.657 nan 8.150 nan 0.000 0.463 262 N N 0.388 119.061 118.700 -0.046 0.000 2.546 262 N HA 0.322 5.062 4.740 -0.000 0.000 0.286 262 N C -0.901 174.589 175.510 -0.034 0.000 1.259 262 N CA -0.284 52.746 53.050 -0.034 0.000 0.939 262 N CB 0.365 38.835 38.487 -0.029 0.000 1.243 262 N HN 0.335 nan 8.380 nan 0.000 0.511 263 L N 2.181 123.381 121.223 -0.039 0.000 2.514 263 L HA 0.104 4.444 4.340 -0.000 0.000 0.280 263 L C -1.470 175.382 176.870 -0.031 0.000 1.223 263 L CA -1.264 53.552 54.840 -0.040 0.000 0.864 263 L CB -0.085 41.945 42.059 -0.049 0.000 1.118 263 L HN 0.037 nan 8.230 nan 0.000 0.494 264 P HA -0.076 nan 4.420 nan 0.000 0.265 264 P C 0.246 177.536 177.300 -0.016 0.000 1.187 264 P CA 0.039 63.130 63.100 -0.015 0.000 0.766 264 P CB 0.775 32.471 31.700 -0.007 0.000 0.820 265 A N 4.234 127.049 122.820 -0.008 0.000 1.896 265 A HA -0.277 4.043 4.320 -0.000 0.000 0.220 265 A C 1.759 179.342 177.584 -0.001 0.000 1.206 265 A CA 2.345 54.378 52.037 -0.006 0.000 0.647 265 A CB -1.199 17.800 19.000 -0.000 0.000 0.828 265 A HN 0.543 nan 8.150 nan 0.000 0.455 266 D N -0.020 120.393 120.400 0.021 0.000 2.149 266 D HA -0.129 4.511 4.640 -0.000 0.000 0.198 266 D C 1.722 178.019 176.300 -0.005 0.000 0.990 266 D CA 1.194 55.233 54.000 0.064 0.000 0.839 266 D CB -0.417 40.466 40.800 0.138 0.000 0.948 266 D HN 0.534 nan 8.370 nan 0.000 0.460 267 L N 0.275 121.460 121.223 -0.063 0.000 2.492 267 L HA 0.130 4.470 4.340 -0.000 0.000 0.223 267 L C 2.381 179.173 176.870 -0.129 0.000 1.132 267 L CA 0.160 54.904 54.840 -0.160 0.000 0.850 267 L CB -0.262 41.725 42.059 -0.120 0.000 0.966 267 L HN -0.060 nan 8.230 nan 0.000 0.454 268 A N 0.849 123.622 122.820 -0.078 0.000 1.883 268 A HA -0.129 4.191 4.320 -0.000 0.000 0.217 268 A C 2.147 179.687 177.584 -0.073 0.000 1.186 268 A CA 1.736 53.735 52.037 -0.064 0.000 0.624 268 A CB -1.030 17.946 19.000 -0.040 0.000 0.822 268 A HN 0.409 nan 8.150 nan 0.000 0.444 269 G N -1.368 107.390 108.800 -0.071 0.000 3.279 269 G HA2 0.390 4.350 3.960 -0.000 0.000 0.230 269 G HA3 0.390 4.350 3.960 -0.000 0.000 0.230 269 G C 0.001 174.834 174.900 -0.112 0.000 1.230 269 G CA -0.126 44.932 45.100 -0.070 0.000 0.891 269 G HN 0.262 nan 8.290 nan 0.000 0.518 270 L N 1.700 122.831 121.223 -0.153 0.000 2.309 270 L HA 0.450 4.790 4.340 -0.000 0.000 0.282 270 L C -1.927 174.822 176.870 -0.202 0.000 1.036 270 L CA -2.680 52.032 54.840 -0.213 0.000 0.806 270 L CB 1.798 43.691 42.059 -0.276 0.000 1.220 270 L HN -0.105 nan 8.230 nan 0.000 0.429 271 P HA 0.122 nan 4.420 nan 0.000 0.267 271 P C -1.051 176.172 177.300 -0.128 0.000 1.205 271 P CA -0.087 62.862 63.100 -0.252 0.000 0.765 271 P CB 0.400 31.785 31.700 -0.526 0.000 0.828 272 T N 2.829 117.360 114.554 -0.039 0.000 2.861 272 T HA 0.405 4.755 4.350 -0.000 0.000 0.287 272 T C -0.745 173.985 174.700 0.050 0.000 1.003 272 T CA -0.517 61.583 62.100 0.000 0.000 0.977 272 T CB 1.586 70.430 68.868 -0.039 0.000 0.996 272 T HN 0.330 nan 8.240 nan 0.000 0.448 273 D N 1.774 122.218 120.400 0.074 0.000 2.601 273 D HA 0.558 5.198 4.640 -0.000 0.000 0.230 273 D C -0.417 175.884 176.300 0.002 0.000 1.106 273 D CA -0.380 53.675 54.000 0.091 0.000 0.873 273 D CB 2.380 43.337 40.800 0.262 0.000 1.515 273 D HN 0.636 nan 8.370 nan 0.000 0.468 274 T N -1.082 113.435 114.554 -0.062 0.000 2.863 274 T HA 0.724 5.074 4.350 -0.000 0.000 0.285 274 T C -0.382 174.159 174.700 -0.265 0.000 1.009 274 T CA -0.755 61.239 62.100 -0.176 0.000 0.989 274 T CB 0.942 69.657 68.868 -0.255 0.000 1.004 274 T HN 0.205 nan 8.240 nan 0.000 0.455 275 L N 2.272 123.341 121.223 -0.255 0.000 2.330 275 L HA 0.663 5.003 4.340 -0.000 0.000 0.271 275 L C -0.641 176.032 176.870 -0.327 0.000 1.013 275 L CA -1.224 53.482 54.840 -0.223 0.000 0.816 275 L CB 1.545 43.568 42.059 -0.059 0.000 1.287 275 L HN 0.593 nan 8.230 nan 0.000 0.435 276 F N 1.114 121.091 119.950 0.044 0.000 2.399 276 F HA 0.323 4.850 4.527 -0.000 0.000 0.328 276 F C 0.232 176.051 175.800 0.031 0.000 1.084 276 F CA -0.673 57.352 58.000 0.041 0.000 1.053 276 F CB 1.230 40.258 39.000 0.047 0.000 1.209 276 F HN 0.164 nan 8.300 nan 0.000 0.502 277 L N 4.084 125.471 121.223 0.273 0.000 2.500 277 L HA 0.121 4.461 4.340 -0.000 0.000 0.272 277 L C -0.166 176.782 176.870 0.131 0.000 1.149 277 L CA 0.071 55.002 54.840 0.152 0.000 0.897 277 L CB -0.271 41.867 42.059 0.133 0.000 1.178 277 L HN 0.403 nan 8.230 nan 0.000 0.473 278 Q N 6.376 126.230 119.800 0.091 0.000 2.299 278 Q HA 0.271 4.610 4.340 -0.000 0.000 0.246 278 Q C -1.663 174.363 176.000 0.043 0.000 0.935 278 Q CA -1.856 53.986 55.803 0.065 0.000 0.887 278 Q CB 0.685 29.452 28.738 0.048 0.000 1.223 278 Q HN 0.471 nan 8.270 nan 0.000 0.439 279 P HA -0.113 nan 4.420 nan 0.000 0.215 279 P C -0.039 177.270 177.300 0.016 0.000 1.157 279 P CA 0.996 64.109 63.100 0.021 0.000 0.868 279 P CB 0.371 32.079 31.700 0.014 0.000 0.788 280 V N -0.099 119.821 119.914 0.011 0.000 2.715 280 V HA 0.245 4.365 4.120 -0.000 0.000 0.310 280 V C -0.061 176.033 176.094 -0.000 0.000 1.054 280 V CA -1.073 61.230 62.300 0.004 0.000 0.928 280 V CB 1.632 33.454 31.823 -0.001 0.000 1.007 280 V HN -0.085 nan 8.190 nan 0.000 0.437 281 N N 3.250 121.947 118.700 -0.004 0.000 2.434 281 N HA 0.167 4.907 4.740 -0.000 0.000 0.268 281 N C -0.156 175.338 175.510 -0.026 0.000 1.256 281 N CA -0.126 52.917 53.050 -0.012 0.000 0.914 281 N CB 0.444 38.925 38.487 -0.010 0.000 1.088 281 N HN 0.537 nan 8.380 nan 0.000 0.478 282 M N 1.289 120.868 119.600 -0.035 0.000 2.240 282 M HA -0.087 4.393 4.480 -0.000 0.000 0.346 282 M C 1.377 177.628 176.300 -0.081 0.000 1.236 282 M CA 0.592 55.858 55.300 -0.057 0.000 0.986 282 M CB 0.209 32.768 32.600 -0.068 0.000 1.786 282 M HN 0.376 nan 8.290 nan 0.000 0.457 283 V N 1.359 121.218 119.914 -0.091 0.000 3.400 283 V HA 0.564 4.684 4.120 -0.000 0.000 0.281 283 V C 0.268 176.279 176.094 -0.138 0.000 1.617 283 V CA 0.868 63.104 62.300 -0.106 0.000 1.044 283 V CB 0.448 32.233 31.823 -0.063 0.000 0.858 283 V HN 0.909 nan 8.190 nan 0.000 0.425 284 G N -1.150 107.568 108.800 -0.137 0.000 2.725 284 G HA2 0.468 4.427 3.960 -0.000 0.000 0.288 284 G HA3 0.468 4.427 3.960 -0.000 0.000 0.288 284 G C 0.335 175.152 174.900 -0.138 0.000 1.399 284 G CA 0.344 45.362 45.100 -0.136 0.000 0.859 284 G HN -0.069 nan 8.290 nan 0.000 0.479 285 V N 0.464 120.324 119.914 -0.089 0.000 2.324 285 V HA -0.217 3.902 4.120 -0.000 0.000 0.250 285 V C 3.050 179.135 176.094 -0.014 0.000 1.060 285 V CA 2.872 65.158 62.300 -0.023 0.000 1.042 285 V CB -0.511 31.348 31.823 0.059 0.000 0.650 285 V HN 0.761 nan 8.190 nan 0.000 0.450 286 S N -0.211 115.482 115.700 -0.012 0.000 2.351 286 S HA -0.233 4.237 4.470 -0.000 0.000 0.220 286 S C 2.178 176.772 174.600 -0.010 0.000 1.035 286 S CA 1.895 60.093 58.200 -0.004 0.000 1.031 286 S CB -0.483 62.715 63.200 -0.003 0.000 0.928 286 S HN 0.639 nan 8.310 nan 0.000 0.433 287 A N 1.440 124.245 122.820 -0.025 0.000 1.883 287 A HA -0.031 4.289 4.320 -0.000 0.000 0.217 287 A C 2.308 179.877 177.584 -0.025 0.000 1.186 287 A CA 1.757 53.779 52.037 -0.025 0.000 0.624 287 A CB -0.983 17.994 19.000 -0.038 0.000 0.822 287 A HN 0.596 nan 8.150 nan 0.000 0.444 288 L N -0.418 120.775 121.223 -0.051 0.000 2.017 288 L HA -0.186 4.154 4.340 -0.000 0.000 0.208 288 L C 2.880 179.748 176.870 -0.005 0.000 1.073 288 L CA 1.626 56.437 54.840 -0.048 0.000 0.745 288 L CB -0.515 41.485 42.059 -0.097 0.000 0.894 288 L HN 0.346 nan 8.230 nan 0.000 0.432 289 S N -0.666 115.038 115.700 0.006 0.000 2.399 289 S HA -0.215 4.255 4.470 -0.000 0.000 0.231 289 S C 2.008 176.628 174.600 0.033 0.000 1.022 289 S CA 1.110 59.326 58.200 0.026 0.000 0.983 289 S CB -0.359 62.857 63.200 0.026 0.000 0.803 289 S HN 0.323 nan 8.310 nan 0.000 0.480 290 R N 0.877 121.394 120.500 0.029 0.000 2.152 290 R HA 0.044 4.384 4.340 -0.000 0.000 0.232 290 R C 2.189 178.527 176.300 0.063 0.000 1.117 290 R CA 0.701 56.826 56.100 0.041 0.000 0.981 290 R CB -0.328 29.990 30.300 0.030 0.000 0.870 290 R HN 0.391 nan 8.270 nan 0.000 0.451 291 L N 0.738 121.995 121.223 0.055 0.000 2.131 291 L HA -0.133 4.207 4.340 -0.000 0.000 0.210 291 L C 1.429 178.357 176.870 0.097 0.000 1.092 291 L CA 1.220 56.102 54.840 0.071 0.000 0.759 291 L CB 0.007 42.091 42.059 0.041 0.000 0.903 291 L HN 0.305 nan 8.230 nan 0.000 0.435 292 L N -0.197 121.081 121.223 0.093 0.000 2.645 292 L HA 0.049 4.389 4.340 -0.000 0.000 0.235 292 L C 1.197 178.126 176.870 0.097 0.000 1.150 292 L CA -0.388 54.516 54.840 0.107 0.000 0.911 292 L CB -0.524 41.584 42.059 0.081 0.000 1.077 292 L HN 0.262 nan 8.230 nan 0.000 0.438 293 S N -1.361 114.407 115.700 0.114 0.000 2.592 293 S HA 0.102 4.572 4.470 -0.000 0.000 0.271 293 S C 1.239 175.947 174.600 0.179 0.000 1.326 293 S CA -0.103 58.172 58.200 0.125 0.000 1.024 293 S CB 1.214 64.487 63.200 0.121 0.000 0.921 293 S HN 0.317 nan 8.310 nan 0.000 0.527 294 T N -1.097 113.553 114.554 0.160 0.000 3.107 294 T HA 0.236 4.586 4.350 -0.000 0.000 0.249 294 T C 0.256 175.130 174.700 0.290 0.000 1.096 294 T CA 0.017 62.234 62.100 0.195 0.000 1.012 294 T CB -0.421 68.520 68.868 0.123 0.000 0.977 294 T HN 0.732 nan 8.240 nan 0.000 0.527 295 Q N 1.237 121.174 119.800 0.228 0.000 2.289 295 Q HA 0.455 4.795 4.340 -0.000 0.000 0.270 295 Q C -2.799 173.192 176.000 -0.015 0.000 1.038 295 Q CA -2.043 53.826 55.803 0.110 0.000 0.812 295 Q CB 2.190 30.958 28.738 0.051 0.000 1.300 295 Q HN 0.132 nan 8.270 nan 0.000 0.427 310 P HA 0.008 nan 4.420 nan 0.000 0.267 310 P C -0.581 176.721 177.300 0.003 0.000 1.200 310 P CA 0.008 63.110 63.100 0.004 0.000 0.772 310 P CB 0.668 32.373 31.700 0.007 0.000 0.855 311 D N 2.242 122.641 120.400 -0.002 0.000 2.713 311 D HA 0.226 4.866 4.640 -0.000 0.000 0.229 311 D C -0.459 175.838 176.300 -0.005 0.000 1.136 311 D CA -0.140 53.858 54.000 -0.004 0.000 1.010 311 D CB -0.827 39.967 40.800 -0.010 0.000 1.084 311 D HN 0.214 nan 8.370 nan 0.000 0.495 312 I N 2.564 123.134 120.570 0.001 0.000 2.499 312 I HA 0.305 4.474 4.170 -0.000 0.000 0.288 312 I C -1.995 174.128 176.117 0.010 0.000 1.048 312 I CA -2.130 59.173 61.300 0.004 0.000 1.062 312 I CB 1.930 39.935 38.000 0.010 0.000 1.238 312 I HN 0.061 nan 8.210 nan 0.000 0.426 313 P HA 0.064 nan 4.420 nan 0.000 0.269 313 P C -0.092 177.221 177.300 0.022 0.000 1.217 313 P CA -0.118 62.997 63.100 0.026 0.000 0.783 313 P CB 0.471 32.199 31.700 0.045 0.000 0.898 314 S N 1.083 116.791 115.700 0.012 0.000 2.624 314 S HA 0.133 4.603 4.470 -0.000 0.000 0.263 314 S C 1.251 175.867 174.600 0.027 0.000 1.287 314 S CA -0.729 57.474 58.200 0.006 0.000 0.990 314 S CB 0.105 63.285 63.200 -0.035 0.000 0.950 314 S HN 0.460 nan 8.310 nan 0.000 0.561 315 L N 0.891 122.131 121.223 0.028 0.000 2.079 315 L HA -0.123 4.217 4.340 -0.000 0.000 0.210 315 L C 2.649 179.535 176.870 0.027 0.000 1.081 315 L CA 1.733 56.595 54.840 0.036 0.000 0.752 315 L CB -0.933 41.144 42.059 0.030 0.000 0.896 315 L HN 0.944 nan 8.230 nan 0.000 0.433 316 S N -0.454 115.260 115.700 0.023 0.000 2.380 316 S HA -0.253 4.217 4.470 -0.000 0.000 0.229 316 S C 2.001 176.583 174.600 -0.030 0.000 1.043 316 S CA 1.466 59.679 58.200 0.023 0.000 1.038 316 S CB -0.162 63.077 63.200 0.065 0.000 0.872 316 S HN 0.658 nan 8.310 nan 0.000 0.456 317 A N 0.788 123.610 122.820 0.004 0.000 1.898 317 A HA 0.048 4.368 4.320 -0.000 0.000 0.216 317 A C 2.140 179.693 177.584 -0.051 0.000 1.181 317 A CA 1.006 53.009 52.037 -0.058 0.000 0.620 317 A CB -0.636 18.440 19.000 0.126 0.000 0.819 317 A HN 0.502 nan 8.150 nan 0.000 0.442 318 L N -0.262 120.983 121.223 0.037 0.000 2.017 318 L HA -0.174 4.166 4.340 -0.000 0.000 0.208 318 L C 2.542 179.493 176.870 0.135 0.000 1.073 318 L CA 1.514 56.436 54.840 0.137 0.000 0.745 318 L CB -0.350 41.806 42.059 0.161 0.000 0.894 318 L HN 0.287 nan 8.230 nan 0.000 0.432 319 V N -0.380 119.547 119.914 0.023 0.000 2.407 319 V HA -0.320 3.800 4.120 -0.000 0.000 0.248 319 V C 2.041 178.087 176.094 -0.079 0.000 1.055 319 V CA 2.081 64.353 62.300 -0.047 0.000 1.049 319 V CB -0.536 31.247 31.823 -0.066 0.000 0.662 319 V HN 0.508 nan 8.190 nan 0.000 0.455 320 D N -0.050 120.267 120.400 -0.138 0.000 2.178 320 D HA -0.191 4.449 4.640 -0.000 0.000 0.201 320 D C 1.735 178.005 176.300 -0.051 0.000 0.980 320 D CA 1.244 55.140 54.000 -0.174 0.000 0.842 320 D CB -0.009 40.442 40.800 -0.583 0.000 0.948 320 D HN 0.400 nan 8.370 nan 0.000 0.472 321 D N -0.455 119.965 120.400 0.034 0.000 2.194 321 D HA -0.026 4.614 4.640 -0.000 0.000 0.204 321 D C 2.104 178.489 176.300 0.142 0.000 0.964 321 D CA 0.342 54.453 54.000 0.185 0.000 0.846 321 D CB 0.001 41.010 40.800 0.348 0.000 0.962 321 D HN 0.373 nan 8.370 nan 0.000 0.490 322 I N 1.172 121.749 120.570 0.011 0.000 2.394 322 I HA -0.189 3.981 4.170 -0.000 0.000 0.251 322 I C 2.339 178.366 176.117 -0.151 0.000 1.136 322 I CA 0.649 61.803 61.300 -0.243 0.000 1.425 322 I CB -0.023 37.793 38.000 -0.306 0.000 1.079 322 I HN -0.096 nan 8.210 nan 0.000 0.425 323 A N 0.697 123.433 122.820 -0.139 0.000 2.067 323 A HA -0.149 4.171 4.320 -0.000 0.000 0.219 323 A C 2.302 179.852 177.584 -0.056 0.000 1.158 323 A CA 0.910 52.867 52.037 -0.133 0.000 0.661 323 A CB -0.451 18.532 19.000 -0.029 0.000 0.801 323 A HN 0.302 nan 8.150 nan 0.000 0.452 324 R N 0.058 120.555 120.500 -0.005 0.000 2.112 324 R HA -0.210 4.130 4.340 -0.000 0.000 0.242 324 R C 1.800 178.072 176.300 -0.047 0.000 1.137 324 R CA 1.965 58.076 56.100 0.017 0.000 0.944 324 R CB -0.700 29.631 30.300 0.051 0.000 0.857 324 R HN 0.702 nan 8.270 nan 0.000 0.435 325 N N 0.281 118.899 118.700 -0.136 0.000 2.289 325 N HA -0.140 4.600 4.740 -0.000 0.000 0.184 325 N C -0.188 175.104 175.510 -0.363 0.000 1.016 325 N CA 0.542 53.425 53.050 -0.278 0.000 0.872 325 N CB 0.104 38.302 38.487 -0.481 0.000 0.973 325 N HN 0.257 nan 8.380 nan 0.000 0.433 326 E N -0.758 119.221 120.200 -0.369 0.000 3.181 326 E HA -0.209 4.141 4.350 -0.000 0.000 0.293 326 E C -0.647 175.393 176.600 -0.933 0.000 0.936 326 E CA 0.660 56.722 56.400 -0.563 0.000 0.975 326 E CB -1.692 27.900 29.700 -0.181 0.000 1.496 326 E HN 0.719 nan 8.360 nan 0.000 0.429 327 H N -2.859 115.376 119.070 -1.391 0.000 2.951 327 H HA 0.592 5.148 4.556 -0.000 0.000 0.292 327 H C -0.256 174.487 175.328 -0.975 0.000 1.412 327 H CA -0.489 54.640 56.048 -1.532 0.000 1.206 327 H CB 1.280 30.634 29.762 -0.679 0.000 1.862 327 H HN 0.492 nan 8.280 nan 0.000 0.502 328 G N 0.391 108.911 108.800 -0.467 0.000 2.321 328 G HA2 0.307 4.267 3.960 -0.000 0.000 0.339 328 G HA3 0.307 4.267 3.960 -0.000 0.000 0.339 328 G C -2.145 172.739 174.900 -0.027 0.000 1.518 328 G CA -0.589 44.416 45.100 -0.159 0.000 0.994 328 G HN 0.625 nan 8.290 nan 0.000 0.668 329 L N 1.969 123.175 121.223 -0.027 0.000 2.281 329 L HA 0.705 5.045 4.340 -0.000 0.000 0.285 329 L C -0.100 176.759 176.870 -0.019 0.000 1.074 329 L CA -0.860 53.972 54.840 -0.014 0.000 0.817 329 L CB 0.563 42.616 42.059 -0.009 0.000 1.168 329 L HN 0.434 nan 8.230 nan 0.000 0.434 330 I N 6.909 127.473 120.570 -0.009 0.000 2.359 330 I HA 0.319 4.489 4.170 -0.000 0.000 0.284 330 I C -0.368 175.740 176.117 -0.015 0.000 1.018 330 I CA -0.288 60.993 61.300 -0.031 0.000 1.173 330 I CB 0.904 38.877 38.000 -0.044 0.000 1.326 330 I HN 0.671 nan 8.210 nan 0.000 0.462 331 M N 6.892 126.498 119.600 0.010 0.000 2.167 331 M HA 0.468 4.948 4.480 -0.000 0.000 0.333 331 M C -0.758 175.560 176.300 0.031 0.000 1.030 331 M CA -0.746 54.578 55.300 0.039 0.000 0.963 331 M CB 2.020 34.667 32.600 0.078 0.000 1.589 331 M HN 0.244 nan 8.290 nan 0.000 0.431 332 L N 4.611 125.850 121.223 0.027 0.000 2.275 332 L HA 0.581 4.921 4.340 -0.000 0.000 0.288 332 L C -0.292 176.573 176.870 -0.008 0.000 1.046 332 L CA 0.408 55.251 54.840 0.005 0.000 0.805 332 L CB 0.971 43.031 42.059 0.002 0.000 1.193 332 L HN 0.724 nan 8.230 nan 0.000 0.426 333 M N 1.887 121.455 119.600 -0.053 0.000 2.690 333 M HA 0.896 5.376 4.480 -0.000 0.000 0.302 333 M C 0.072 176.290 176.300 -0.137 0.000 1.234 333 M CA -0.722 54.528 55.300 -0.083 0.000 0.853 333 M CB 2.518 35.062 32.600 -0.092 0.000 1.748 333 M HN 0.657 nan 8.290 nan 0.000 0.469 334 G N 0.578 109.299 108.800 -0.132 0.000 2.352 334 G HA2 0.145 4.105 3.960 -0.000 0.000 0.302 334 G HA3 0.145 4.105 3.960 -0.000 0.000 0.302 334 G C -1.772 173.064 174.900 -0.106 0.000 1.370 334 G CA -1.033 43.976 45.100 -0.153 0.000 0.918 334 G HN 0.459 nan 8.290 nan 0.000 0.610 335 K N -0.225 120.116 120.400 -0.099 0.000 2.156 335 K HA 0.491 4.811 4.320 -0.000 0.000 0.242 335 K C 1.164 177.732 176.600 -0.054 0.000 1.033 335 K CA 0.253 56.498 56.287 -0.069 0.000 0.878 335 K CB 0.186 32.651 32.500 -0.058 0.000 1.057 335 K HN 1.016 nan 8.250 nan 0.000 0.505 336 G N -0.985 107.790 108.800 -0.042 0.000 2.432 336 G HA2 0.326 4.286 3.960 -0.000 0.000 0.239 336 G HA3 0.326 4.286 3.960 -0.000 0.000 0.239 336 G C 0.915 175.800 174.900 -0.025 0.000 1.291 336 G CA 0.280 45.361 45.100 -0.033 0.000 0.863 336 G HN 0.681 nan 8.290 nan 0.000 0.560 337 G N -0.163 108.625 108.800 -0.021 0.000 2.189 337 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.267 337 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.267 337 G C 1.376 176.267 174.900 -0.014 0.000 0.975 337 G CA 1.180 46.271 45.100 -0.014 0.000 0.644 337 G HN 1.959 nan 8.290 nan 0.000 0.537 338 V N -2.220 117.681 119.914 -0.023 0.000 2.913 338 V HA 0.462 4.582 4.120 -0.000 0.000 0.260 338 V C 1.915 178.000 176.094 -0.015 0.000 1.098 338 V CA 1.711 63.997 62.300 -0.023 0.000 1.121 338 V CB -0.430 31.368 31.823 -0.042 0.000 0.714 338 V HN 2.307 nan 8.190 nan 0.000 0.487 339 G N -0.129 108.663 108.800 -0.013 0.000 2.155 339 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.135 339 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.135 339 G C 0.481 175.377 174.900 -0.007 0.000 1.023 339 G CA 0.231 45.328 45.100 -0.006 0.000 0.688 339 G HN 0.447 nan 8.290 nan 0.000 0.499 340 K N -0.326 120.067 120.400 -0.013 0.000 2.009 340 K HA -0.088 4.231 4.320 -0.000 0.000 0.210 340 K C 2.578 179.180 176.600 0.003 0.000 1.049 340 K CA 1.973 58.254 56.287 -0.010 0.000 0.929 340 K CB -0.300 32.194 32.500 -0.011 0.000 0.714 340 K HN 0.305 nan 8.250 nan 0.000 0.440 341 T N 0.782 115.341 114.554 0.008 0.000 2.759 341 T HA -0.127 4.223 4.350 -0.000 0.000 0.269 341 T C 1.902 176.607 174.700 0.007 0.000 1.042 341 T CA 1.831 63.938 62.100 0.013 0.000 1.140 341 T CB -0.324 68.553 68.868 0.015 0.000 0.864 341 T HN 0.308 nan 8.240 nan 0.000 0.455 342 T N 2.264 116.821 114.554 0.005 0.000 2.777 342 T HA 0.016 4.366 4.350 -0.000 0.000 0.266 342 T C 2.044 176.746 174.700 0.004 0.000 1.040 342 T CA 0.837 62.940 62.100 0.006 0.000 1.141 342 T CB -0.186 68.687 68.868 0.007 0.000 0.868 342 T HN 0.208 nan 8.240 nan 0.000 0.444 343 M N 1.325 120.927 119.600 0.003 0.000 2.132 343 M HA 0.119 4.599 4.480 -0.000 0.000 0.263 343 M C 2.850 179.147 176.300 -0.005 0.000 1.065 343 M CA 1.192 56.494 55.300 0.003 0.000 1.122 343 M CB -1.567 31.037 32.600 0.006 0.000 1.365 343 M HN 0.300 nan 8.290 nan 0.000 0.411 344 A N 0.477 123.293 122.820 -0.006 0.000 1.908 344 A HA -0.027 4.293 4.320 -0.000 0.000 0.218 344 A C 2.464 180.035 177.584 -0.021 0.000 1.181 344 A CA 2.261 54.288 52.037 -0.016 0.000 0.627 344 A CB -0.880 18.113 19.000 -0.012 0.000 0.818 344 A HN 0.481 nan 8.150 nan 0.000 0.445 345 A N -0.287 122.527 122.820 -0.011 0.000 1.873 345 A HA 0.234 4.553 4.320 -0.000 0.000 0.215 345 A C 2.525 180.103 177.584 -0.011 0.000 1.186 345 A CA 1.933 53.965 52.037 -0.009 0.000 0.616 345 A CB -1.056 17.944 19.000 -0.001 0.000 0.823 345 A HN 1.048 nan 8.150 nan 0.000 0.442 346 A N 0.007 122.823 122.820 -0.008 0.000 1.908 346 A HA -0.111 4.209 4.320 -0.000 0.000 0.218 346 A C 2.131 179.703 177.584 -0.020 0.000 1.181 346 A CA 1.620 53.653 52.037 -0.007 0.000 0.627 346 A CB -0.637 18.363 19.000 0.001 0.000 0.818 346 A HN 0.495 nan 8.150 nan 0.000 0.445 347 I N -0.329 120.223 120.570 -0.031 0.000 2.179 347 I HA -0.266 3.904 4.170 -0.000 0.000 0.242 347 I C 2.948 179.014 176.117 -0.084 0.000 1.088 347 I CA 1.077 62.341 61.300 -0.060 0.000 1.357 347 I CB -0.309 37.650 38.000 -0.068 0.000 1.051 347 I HN 0.350 nan 8.210 nan 0.000 0.409 348 A N 0.144 122.926 122.820 -0.064 0.000 1.972 348 A HA -0.129 4.191 4.320 -0.000 0.000 0.219 348 A C 2.406 179.970 177.584 -0.033 0.000 1.169 348 A CA 1.548 53.552 52.037 -0.055 0.000 0.635 348 A CB -0.776 18.207 19.000 -0.027 0.000 0.810 348 A HN 0.262 nan 8.150 nan 0.000 0.446 349 V N 0.005 119.905 119.914 -0.024 0.000 2.323 349 V HA -0.187 3.933 4.120 -0.000 0.000 0.244 349 V C 2.659 178.745 176.094 -0.014 0.000 1.041 349 V CA 2.206 64.499 62.300 -0.012 0.000 1.025 349 V CB -0.715 31.105 31.823 -0.007 0.000 0.656 349 V HN 0.686 nan 8.190 nan 0.000 0.451 350 R N 0.397 120.884 120.500 -0.022 0.000 2.081 350 R HA -0.137 4.203 4.340 -0.000 0.000 0.235 350 R C 1.926 178.216 176.300 -0.017 0.000 1.131 350 R CA 1.782 57.872 56.100 -0.017 0.000 0.960 350 R CB -0.989 29.300 30.300 -0.019 0.000 0.856 350 R HN 0.322 nan 8.270 nan 0.000 0.436 351 L N 0.389 121.578 121.223 -0.057 0.000 2.083 351 L HA 0.054 4.394 4.340 -0.000 0.000 0.209 351 L C 2.282 179.201 176.870 0.082 0.000 1.083 351 L CA 2.098 56.907 54.840 -0.053 0.000 0.752 351 L CB -1.239 40.634 42.059 -0.310 0.000 0.899 351 L HN 0.387 nan 8.230 nan 0.000 0.433 352 A N -1.157 121.684 122.820 0.035 0.000 1.898 352 A HA -0.171 4.148 4.320 -0.000 0.000 0.216 352 A C 1.929 179.514 177.584 0.002 0.000 1.181 352 A CA 1.597 53.660 52.037 0.044 0.000 0.620 352 A CB -0.524 18.492 19.000 0.026 0.000 0.819 352 A HN 0.392 nan 8.150 nan 0.000 0.442 353 D N -0.659 119.736 120.400 -0.007 0.000 2.350 353 D HA -0.033 4.607 4.640 -0.000 0.000 0.216 353 D C 1.566 177.835 176.300 -0.051 0.000 0.968 353 D CA 0.818 54.803 54.000 -0.025 0.000 0.894 353 D CB -0.179 40.612 40.800 -0.014 0.000 0.909 353 D HN 0.471 nan 8.370 nan 0.000 0.520 354 M N -1.019 118.553 119.600 -0.048 0.000 2.561 354 M HA 0.125 4.605 4.480 -0.000 0.000 0.238 354 M C 0.951 177.022 176.300 -0.382 0.000 1.131 354 M CA 0.373 55.606 55.300 -0.112 0.000 1.046 354 M CB 0.700 33.336 32.600 0.059 0.000 1.532 354 M HN 0.069 nan 8.290 nan 0.000 0.497 355 G N 0.571 109.192 108.800 -0.299 0.000 2.130 355 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.216 355 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.216 355 G C -0.344 174.299 174.900 -0.428 0.000 0.999 355 G CA -0.556 44.326 45.100 -0.363 0.000 0.686 355 G HN 0.337 nan 8.290 nan 0.000 0.515 356 F N 0.671 120.665 119.950 0.072 0.000 2.470 356 F HA 0.548 5.075 4.527 -0.000 0.000 0.329 356 F C 0.352 176.232 175.800 0.134 0.000 1.072 356 F CA -1.522 56.567 58.000 0.147 0.000 0.989 356 F CB 1.100 40.287 39.000 0.312 0.000 1.193 356 F HN -0.139 nan 8.300 nan 0.000 0.481 357 D N 1.948 122.551 120.400 0.339 0.000 2.346 357 D HA 0.323 4.963 4.640 -0.000 0.000 0.260 357 D C -0.578 175.874 176.300 0.254 0.000 1.252 357 D CA 0.391 54.513 54.000 0.203 0.000 0.895 357 D CB 0.868 41.744 40.800 0.128 0.000 1.097 357 D HN 0.069 nan 8.370 nan 0.000 0.489 358 V N 3.192 123.222 119.914 0.193 0.000 2.540 358 V HA 0.247 4.367 4.120 -0.000 0.000 0.302 358 V C -0.294 175.897 176.094 0.163 0.000 1.035 358 V CA -0.845 61.574 62.300 0.197 0.000 0.873 358 V CB 1.949 33.853 31.823 0.135 0.000 0.992 358 V HN 0.537 nan 8.190 nan 0.000 0.428 359 H N 4.627 123.717 119.070 0.034 0.000 2.685 359 H HA 0.560 5.116 4.556 -0.000 0.000 0.307 359 H C -1.045 174.246 175.328 -0.063 0.000 1.017 359 H CA -0.914 55.121 56.048 -0.022 0.000 1.237 359 H CB 1.415 31.154 29.762 -0.038 0.000 1.409 359 H HN 0.568 nan 8.280 nan 0.000 0.488 360 L N 5.401 126.715 121.223 0.153 0.000 2.312 360 L HA 0.328 4.668 4.340 -0.000 0.000 0.281 360 L C -0.284 176.518 176.870 -0.113 0.000 1.070 360 L CA 0.007 54.833 54.840 -0.024 0.000 0.805 360 L CB 1.333 43.392 42.059 0.000 0.000 1.174 360 L HN 0.708 nan 8.230 nan 0.000 0.434 361 T N 1.059 115.421 114.554 -0.321 0.000 2.848 361 T HA 0.666 5.016 4.350 -0.000 0.000 0.285 361 T C -0.243 174.286 174.700 -0.284 0.000 0.995 361 T CA -0.557 61.270 62.100 -0.456 0.000 0.970 361 T CB 1.474 69.687 68.868 -1.092 0.000 0.976 361 T HN 0.766 nan 8.240 nan 0.000 0.441 362 T N 0.465 115.006 114.554 -0.022 0.000 2.887 362 T HA 0.636 4.986 4.350 -0.000 0.000 0.292 362 T C 0.218 175.058 174.700 0.233 0.000 1.087 362 T CA -0.337 61.843 62.100 0.134 0.000 1.009 362 T CB 1.502 70.406 68.868 0.060 0.000 1.203 362 T HN 0.901 nan 8.240 nan 0.000 0.518 363 S N 1.297 117.099 115.700 0.170 0.000 2.741 363 S HA 0.446 4.915 4.470 -0.000 0.000 0.247 363 S C -0.585 174.018 174.600 0.006 0.000 1.050 363 S CA -0.649 57.590 58.200 0.065 0.000 1.025 363 S CB -0.159 63.029 63.200 -0.019 0.000 0.897 363 S HN 0.727 nan 8.310 nan 0.000 0.508 364 D N 1.491 121.907 120.400 0.027 0.000 2.837 364 D HA 0.422 5.062 4.640 -0.000 0.000 0.220 364 D C -3.067 173.246 176.300 0.021 0.000 1.236 364 D CA -1.148 52.859 54.000 0.012 0.000 0.838 364 D CB 2.077 42.883 40.800 0.010 0.000 1.647 364 D HN -0.013 nan 8.370 nan 0.000 0.486 365 P HA 0.511 nan 4.420 nan 0.000 0.276 365 P C -1.243 176.068 177.300 0.018 0.000 1.235 365 P CA -0.343 62.770 63.100 0.022 0.000 0.772 365 P CB 1.366 33.081 31.700 0.024 0.000 0.871 378 N N 0.387 119.080 118.700 -0.012 0.000 2.417 378 N HA -0.205 4.535 4.740 -0.000 0.000 0.187 378 N C 0.873 176.375 175.510 -0.013 0.000 1.027 378 N CA 1.910 54.951 53.050 -0.015 0.000 0.891 378 N CB -0.480 37.998 38.487 -0.016 0.000 0.956 378 N HN 0.540 nan 8.380 nan 0.000 0.442 379 N N -0.656 118.040 118.700 -0.007 0.000 2.453 379 N HA -0.029 4.711 4.740 -0.000 0.000 0.183 379 N C -0.471 175.050 175.510 0.017 0.000 1.041 379 N CA 0.280 53.333 53.050 0.005 0.000 0.900 379 N CB -0.021 38.468 38.487 0.004 0.000 0.961 379 N HN 0.447 nan 8.380 nan 0.000 0.443 380 L N 1.002 122.229 121.223 0.007 0.000 2.333 380 L HA 0.409 4.749 4.340 -0.000 0.000 0.280 380 L C -0.961 175.902 176.870 -0.011 0.000 1.004 380 L CA -0.695 54.152 54.840 0.012 0.000 0.820 380 L CB 1.613 43.681 42.059 0.016 0.000 1.247 380 L HN 0.182 nan 8.230 nan 0.000 0.416 381 Q N 3.766 123.549 119.800 -0.029 0.000 2.342 381 Q HA 0.780 5.120 4.340 -0.000 0.000 0.267 381 Q C -1.772 174.222 176.000 -0.009 0.000 1.038 381 Q CA -0.986 54.769 55.803 -0.079 0.000 0.832 381 Q CB 2.366 30.972 28.738 -0.220 0.000 1.323 381 Q HN 0.460 nan 8.270 nan 0.000 0.448 382 V N 2.217 122.135 119.914 0.006 0.000 2.448 382 V HA 0.407 4.527 4.120 -0.000 0.000 0.295 382 V C -0.595 175.550 176.094 0.085 0.000 1.025 382 V CA -0.663 61.677 62.300 0.066 0.000 0.859 382 V CB 1.763 33.606 31.823 0.033 0.000 0.988 382 V HN 0.891 nan 8.190 nan 0.000 0.431 383 S N 5.289 121.084 115.700 0.158 0.000 2.448 383 S HA 0.512 4.981 4.470 -0.000 0.000 0.320 383 S C -0.073 174.568 174.600 0.068 0.000 1.071 383 S CA -0.656 57.630 58.200 0.144 0.000 1.113 383 S CB 0.386 63.740 63.200 0.257 0.000 0.972 383 S HN 0.628 nan 8.310 nan 0.000 0.465 384 R N 2.712 123.251 120.500 0.066 0.000 2.312 384 R HA 0.581 4.921 4.340 -0.000 0.000 0.311 384 R C -0.068 176.280 176.300 0.080 0.000 1.004 384 R CA -0.458 55.682 56.100 0.067 0.000 0.902 384 R CB 0.911 31.240 30.300 0.047 0.000 1.073 384 R HN 0.656 nan 8.270 nan 0.000 0.457 385 I N -1.242 119.390 120.570 0.103 0.000 2.545 385 I HA 0.425 4.595 4.170 -0.000 0.000 0.292 385 I C -1.081 175.052 176.117 0.026 0.000 1.040 385 I CA -0.962 60.386 61.300 0.081 0.000 1.068 385 I CB 2.333 40.409 38.000 0.128 0.000 1.251 385 I HN 0.398 nan 8.210 nan 0.000 0.424 386 D N 8.203 128.607 120.400 0.007 0.000 2.347 386 D HA 0.365 5.005 4.640 -0.000 0.000 0.235 386 D C -1.519 174.736 176.300 -0.074 0.000 1.149 386 D CA -2.203 51.784 54.000 -0.021 0.000 0.850 386 D CB 1.516 42.335 40.800 0.032 0.000 1.061 386 D HN 0.382 nan 8.370 nan 0.000 0.487 387 P HA -0.178 nan 4.420 nan 0.000 0.218 387 P C 0.721 177.923 177.300 -0.163 0.000 1.149 387 P CA 1.298 64.267 63.100 -0.218 0.000 0.817 387 P CB 0.207 31.728 31.700 -0.297 0.000 0.785 388 H N 1.123 120.182 119.070 -0.019 0.000 2.319 388 H HA -0.137 4.419 4.556 -0.000 0.000 0.299 388 H C 2.324 177.652 175.328 -0.001 0.000 1.092 388 H CA 1.825 57.867 56.048 -0.010 0.000 1.302 388 H CB -0.342 29.416 29.762 -0.007 0.000 1.373 388 H HN 0.377 nan 8.280 nan 0.000 0.497 389 E N 0.770 121.040 120.200 0.117 0.000 2.208 389 E HA -0.126 4.224 4.350 -0.000 0.000 0.193 389 E C 1.507 178.137 176.600 0.049 0.000 0.988 389 E CA 0.806 57.249 56.400 0.073 0.000 0.828 389 E CB 0.085 29.819 29.700 0.057 0.000 0.763 389 E HN 0.468 nan 8.360 nan 0.000 0.478 390 E N 1.195 121.408 120.200 0.021 0.000 2.072 390 E HA -0.091 4.259 4.350 -0.000 0.000 0.190 390 E C 2.229 178.857 176.600 0.046 0.000 0.982 390 E CA 1.553 57.957 56.400 0.007 0.000 0.803 390 E CB -0.475 29.192 29.700 -0.054 0.000 0.755 390 E HN 0.301 nan 8.360 nan 0.000 0.453 391 T N 1.948 116.524 114.554 0.036 0.000 2.720 391 T HA -0.138 4.212 4.350 -0.000 0.000 0.268 391 T C 1.649 176.430 174.700 0.135 0.000 1.037 391 T CA 1.189 63.340 62.100 0.085 0.000 1.144 391 T CB -0.043 68.859 68.868 0.056 0.000 0.864 391 T HN 0.055 nan 8.240 nan 0.000 0.444 392 E N 0.917 121.174 120.200 0.096 0.000 2.106 392 E HA -0.067 4.283 4.350 -0.000 0.000 0.192 392 E C 2.332 178.979 176.600 0.079 0.000 0.984 392 E CA 0.693 57.139 56.400 0.077 0.000 0.806 392 E CB -0.276 29.459 29.700 0.057 0.000 0.750 392 E HN 0.436 nan 8.360 nan 0.000 0.458 393 R N -0.301 120.253 120.500 0.089 0.000 2.096 393 R HA -0.193 4.147 4.340 -0.000 0.000 0.235 393 R C 2.266 178.646 176.300 0.132 0.000 1.127 393 R CA 1.210 57.362 56.100 0.087 0.000 0.968 393 R CB -0.371 29.971 30.300 0.071 0.000 0.861 393 R HN 0.156 nan 8.270 nan 0.000 0.440 394 Y N 1.344 121.661 120.300 0.028 0.000 2.109 394 Y HA -0.150 4.400 4.550 0.000 0.000 0.285 394 Y C 2.310 178.256 175.900 0.076 0.000 1.131 394 Y CA 1.874 60.004 58.100 0.050 0.000 1.121 394 Y CB -0.265 38.203 38.460 0.015 0.000 0.987 394 Y HN -0.019 nan 8.280 nan 0.000 0.495 395 R N -0.067 120.440 120.500 0.012 0.000 2.103 395 R HA -0.273 4.067 4.340 -0.000 0.000 0.242 395 R C 2.414 178.655 176.300 -0.098 0.000 1.142 395 R CA 1.997 58.049 56.100 -0.080 0.000 0.960 395 R CB -0.565 29.742 30.300 0.011 0.000 0.858 395 R HN 0.505 nan 8.270 nan 0.000 0.439 396 Q N -0.230 119.552 119.800 -0.030 0.000 2.084 396 Q HA -0.252 4.088 4.340 -0.000 0.000 0.202 396 Q C 2.039 178.012 176.000 -0.046 0.000 0.978 396 Q CA 1.948 57.735 55.803 -0.026 0.000 0.844 396 Q CB -0.068 28.677 28.738 0.012 0.000 0.898 396 Q HN 0.467 nan 8.270 nan 0.000 0.426 397 H N -0.748 118.248 119.070 -0.124 0.000 2.321 397 H HA -0.076 4.480 4.556 0.000 0.000 0.300 397 H C 1.740 176.956 175.328 -0.187 0.000 1.087 397 H CA 1.884 57.852 56.048 -0.134 0.000 1.319 397 H CB -0.160 29.531 29.762 -0.119 0.000 1.379 397 H HN 0.099 nan 8.280 nan 0.000 0.501 398 V N 0.642 120.326 119.914 -0.383 0.000 2.720 398 V HA -0.186 3.934 4.120 -0.000 0.000 0.256 398 V C 2.513 178.435 176.094 -0.286 0.000 1.082 398 V CA 1.502 63.561 62.300 -0.401 0.000 1.101 398 V CB -0.517 31.049 31.823 -0.428 0.000 0.693 398 V HN 0.427 nan 8.190 nan 0.000 0.479 399 L N -0.361 120.729 121.223 -0.223 0.000 2.209 399 L HA -0.064 4.276 4.340 -0.000 0.000 0.207 399 L C 2.509 179.291 176.870 -0.146 0.000 1.094 399 L CA 1.305 56.053 54.840 -0.154 0.000 0.790 399 L CB -0.225 41.770 42.059 -0.107 0.000 0.932 399 L HN 0.387 nan 8.230 nan 0.000 0.447 400 E N -0.663 119.432 120.200 -0.175 0.000 2.216 400 E HA -0.147 4.203 4.350 -0.000 0.000 0.192 400 E C 1.739 178.240 176.600 -0.165 0.000 0.988 400 E CA 1.348 57.661 56.400 -0.144 0.000 0.834 400 E CB 0.251 29.873 29.700 -0.130 0.000 0.772 400 E HN 0.339 nan 8.360 nan 0.000 0.479 401 T N 0.645 115.051 114.554 -0.248 0.000 2.735 401 T HA -0.026 4.324 4.350 -0.000 0.000 0.256 401 T C 1.673 176.286 174.700 -0.146 0.000 1.042 401 T CA 1.222 63.190 62.100 -0.220 0.000 1.147 401 T CB -0.006 68.670 68.868 -0.321 0.000 0.865 401 T HN 0.114 nan 8.240 nan 0.000 0.421 402 K N 0.503 120.814 120.400 -0.149 0.000 2.168 402 K HA 0.187 4.507 4.320 -0.000 0.000 0.201 402 K C 2.573 179.117 176.600 -0.093 0.000 1.049 402 K CA 0.612 56.833 56.287 -0.111 0.000 0.974 402 K CB -0.200 32.229 32.500 -0.119 0.000 0.792 402 K HN 0.287 nan 8.250 nan 0.000 0.463 403 G N 2.292 111.033 108.800 -0.098 0.000 2.559 403 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.216 403 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.216 403 G C 1.357 176.221 174.900 -0.059 0.000 1.126 403 G CA 0.297 45.351 45.100 -0.076 0.000 0.778 403 G HN 0.055 nan 8.290 nan 0.000 0.543 404 K N 0.746 121.108 120.400 -0.063 0.000 2.049 404 K HA -0.200 4.120 4.320 -0.000 0.000 0.219 404 K C 1.515 178.096 176.600 -0.033 0.000 1.056 404 K CA 1.835 58.093 56.287 -0.048 0.000 0.946 404 K CB -0.132 32.338 32.500 -0.049 0.000 0.723 404 K HN 0.372 nan 8.250 nan 0.000 0.453 405 E N -0.031 120.152 120.200 -0.028 0.000 2.496 405 E HA 0.124 4.474 4.350 -0.000 0.000 0.200 405 E C -0.790 175.804 176.600 -0.011 0.000 1.016 405 E CA -0.254 56.137 56.400 -0.015 0.000 0.962 405 E CB 0.341 30.038 29.700 -0.006 0.000 1.071 405 E HN -0.002 nan 8.360 nan 0.000 0.457 406 L N 1.974 123.184 121.223 -0.022 0.000 2.379 406 L HA 0.210 4.550 4.340 -0.000 0.000 0.269 406 L C 0.416 177.277 176.870 -0.014 0.000 1.084 406 L CA -0.563 54.266 54.840 -0.020 0.000 0.802 406 L CB 0.711 42.747 42.059 -0.039 0.000 1.175 406 L HN 0.108 nan 8.230 nan 0.000 0.448 407 D N 1.425 121.822 120.400 -0.006 0.000 2.387 407 D HA 0.038 4.678 4.640 -0.000 0.000 0.251 407 D C 0.581 176.876 176.300 -0.008 0.000 1.141 407 D CA -0.320 53.678 54.000 -0.003 0.000 0.987 407 D CB 0.815 41.620 40.800 0.007 0.000 1.116 407 D HN 0.421 nan 8.370 nan 0.000 0.491 408 E N 0.793 120.990 120.200 -0.006 0.000 2.114 408 E HA -0.230 4.120 4.350 -0.000 0.000 0.199 408 E C 1.873 178.467 176.600 -0.010 0.000 1.008 408 E CA 1.867 58.262 56.400 -0.009 0.000 0.810 408 E CB -0.697 29.000 29.700 -0.005 0.000 0.739 408 E HN 0.670 nan 8.360 nan 0.000 0.456 409 A N 0.985 123.805 122.820 -0.002 0.000 1.902 409 A HA -0.099 4.221 4.320 -0.000 0.000 0.217 409 A C 2.522 180.097 177.584 -0.015 0.000 1.181 409 A CA 2.053 54.090 52.037 0.001 0.000 0.623 409 A CB -1.047 17.964 19.000 0.018 0.000 0.818 409 A HN 0.353 nan 8.150 nan 0.000 0.443 410 G N -0.539 108.249 108.800 -0.019 0.000 2.408 410 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.217 410 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.217 410 G C 1.656 176.524 174.900 -0.052 0.000 1.150 410 G CA 0.986 46.063 45.100 -0.039 0.000 0.776 410 G HN 0.566 nan 8.290 nan 0.000 0.542 411 K N 0.033 120.408 120.400 -0.042 0.000 2.057 411 K HA -0.029 4.291 4.320 -0.000 0.000 0.207 411 K C 2.711 179.284 176.600 -0.045 0.000 1.049 411 K CA 0.730 56.990 56.287 -0.046 0.000 0.931 411 K CB -0.129 32.349 32.500 -0.037 0.000 0.714 411 K HN 0.105 nan 8.250 nan 0.000 0.440 412 R N 0.682 121.160 120.500 -0.037 0.000 2.115 412 R HA -0.111 4.229 4.340 -0.000 0.000 0.230 412 R C 2.351 178.623 176.300 -0.047 0.000 1.111 412 R CA 0.781 56.861 56.100 -0.034 0.000 0.976 412 R CB -0.514 29.771 30.300 -0.025 0.000 0.870 412 R HN 0.164 nan 8.270 nan 0.000 0.445 413 L N 1.147 122.333 121.223 -0.061 0.000 2.017 413 L HA -0.109 4.231 4.340 -0.000 0.000 0.208 413 L C 2.156 178.977 176.870 -0.080 0.000 1.073 413 L CA 1.514 56.302 54.840 -0.087 0.000 0.745 413 L CB -0.609 41.384 42.059 -0.110 0.000 0.894 413 L HN 0.123 nan 8.230 nan 0.000 0.432 414 L N -0.652 120.524 121.223 -0.078 0.000 2.083 414 L HA -0.236 4.104 4.340 -0.000 0.000 0.209 414 L C 2.397 179.237 176.870 -0.050 0.000 1.083 414 L CA 1.767 56.562 54.840 -0.075 0.000 0.752 414 L CB -0.285 41.724 42.059 -0.084 0.000 0.899 414 L HN 0.468 nan 8.230 nan 0.000 0.433 415 E N -0.719 119.457 120.200 -0.042 0.000 2.208 415 E HA -0.254 4.096 4.350 -0.000 0.000 0.193 415 E C 1.812 178.412 176.600 -0.000 0.000 0.988 415 E CA 0.794 57.180 56.400 -0.024 0.000 0.828 415 E CB 0.152 29.837 29.700 -0.025 0.000 0.763 415 E HN 0.333 nan 8.360 nan 0.000 0.478 416 E N 1.300 121.499 120.200 -0.001 0.000 2.170 416 E HA -0.157 4.193 4.350 -0.000 0.000 0.191 416 E C 1.462 178.140 176.600 0.130 0.000 0.981 416 E CA 1.098 57.522 56.400 0.040 0.000 0.830 416 E CB -0.036 29.648 29.700 -0.027 0.000 0.775 416 E HN 0.120 nan 8.360 nan 0.000 0.470 417 D N -0.531 119.907 120.400 0.063 0.000 2.144 417 D HA -0.093 4.547 4.640 -0.000 0.000 0.200 417 D C 1.248 177.592 176.300 0.074 0.000 0.978 417 D CA 0.832 54.888 54.000 0.093 0.000 0.833 417 D CB 0.020 40.822 40.800 0.003 0.000 0.961 417 D HN 0.247 nan 8.370 nan 0.000 0.470 418 L N -0.287 120.959 121.223 0.039 0.000 2.660 418 L HA 0.198 4.538 4.340 -0.000 0.000 0.238 418 L C 1.635 178.521 176.870 0.027 0.000 1.161 418 L CA 0.047 54.911 54.840 0.040 0.000 0.937 418 L CB 0.004 42.072 42.059 0.015 0.000 1.122 418 L HN -0.090 nan 8.230 nan 0.000 0.435 419 R N -1.232 119.274 120.500 0.010 0.000 2.437 419 R HA 0.198 4.538 4.340 -0.000 0.000 0.257 419 R C 0.709 176.858 176.300 -0.252 0.000 0.927 419 R CA 0.014 56.092 56.100 -0.036 0.000 1.078 419 R CB 0.484 30.820 30.300 0.060 0.000 1.161 419 R HN 0.068 nan 8.270 nan 0.000 0.529 420 S N 1.592 117.097 115.700 -0.324 0.000 2.579 420 S HA 0.088 4.558 4.470 -0.000 0.000 0.275 420 S C -1.776 172.656 174.600 -0.280 0.000 1.345 420 S CA -1.038 56.842 58.200 -0.533 0.000 1.031 420 S CB 1.157 64.209 63.200 -0.246 0.000 0.892 420 S HN 0.085 nan 8.310 nan 0.000 0.529 421 P HA -0.111 nan 4.420 nan 0.000 0.216 421 P C 1.653 178.883 177.300 -0.117 0.000 1.153 421 P CA 1.146 64.155 63.100 -0.151 0.000 0.858 421 P CB -0.275 31.351 31.700 -0.122 0.000 0.789 422 C N -2.977 116.262 119.300 -0.101 0.000 2.422 422 C HA -0.038 4.422 4.460 -0.000 0.000 0.286 422 C C 2.372 177.307 174.990 -0.092 0.000 1.412 422 C CA 0.994 59.963 59.018 -0.082 0.000 1.786 422 C CB -2.162 25.556 27.740 -0.036 0.000 1.835 422 C HN 0.184 nan 8.230 nan 0.000 0.533 423 T N 1.060 115.573 114.554 -0.069 0.000 2.737 423 T HA -0.181 4.169 4.350 -0.000 0.000 0.265 423 T C 1.787 176.417 174.700 -0.117 0.000 1.038 423 T CA 2.058 64.141 62.100 -0.029 0.000 1.144 423 T CB -0.348 68.557 68.868 0.062 0.000 0.866 423 T HN 0.813 nan 8.240 nan 0.000 0.434 424 E N 1.056 121.196 120.200 -0.101 0.000 2.051 424 E HA -0.208 4.142 4.350 -0.000 0.000 0.192 424 E C 2.262 178.754 176.600 -0.179 0.000 0.991 424 E CA 1.307 57.631 56.400 -0.126 0.000 0.799 424 E CB -0.113 29.522 29.700 -0.108 0.000 0.748 424 E HN 0.615 nan 8.360 nan 0.000 0.449 425 E N 0.440 120.543 120.200 -0.162 0.000 2.086 425 E HA -0.250 4.100 4.350 -0.000 0.000 0.200 425 E C 2.107 178.595 176.600 -0.186 0.000 1.012 425 E CA 1.845 58.145 56.400 -0.166 0.000 0.812 425 E CB -0.222 29.395 29.700 -0.139 0.000 0.743 425 E HN 0.425 nan 8.360 nan 0.000 0.453 426 I N 0.781 121.213 120.570 -0.231 0.000 2.233 426 I HA -0.200 3.970 4.170 -0.000 0.000 0.243 426 I C 2.666 178.572 176.117 -0.352 0.000 1.093 426 I CA 0.941 62.069 61.300 -0.287 0.000 1.380 426 I CB -0.342 37.408 38.000 -0.418 0.000 1.067 426 I HN 0.203 nan 8.210 nan 0.000 0.413 427 A N 0.398 122.944 122.820 -0.457 0.000 1.902 427 A HA -0.139 4.181 4.320 -0.000 0.000 0.217 427 A C 2.418 179.852 177.584 -0.251 0.000 1.181 427 A CA 1.661 53.475 52.037 -0.371 0.000 0.623 427 A CB -0.905 17.953 19.000 -0.237 0.000 0.818 427 A HN 0.240 nan 8.150 nan 0.000 0.443 428 V N -1.395 118.352 119.914 -0.278 0.000 2.358 428 V HA -0.214 3.905 4.120 -0.000 0.000 0.246 428 V C 2.250 178.035 176.094 -0.516 0.000 1.047 428 V CA 1.953 64.002 62.300 -0.417 0.000 1.035 428 V CB -0.904 30.626 31.823 -0.489 0.000 0.658 428 V HN 0.648 nan 8.190 nan 0.000 0.452 429 F N 0.670 120.349 119.950 -0.451 0.000 2.134 429 F HA -0.245 4.282 4.527 -0.000 0.000 0.299 429 F C 2.561 178.262 175.800 -0.164 0.000 1.097 429 F CA 1.977 59.797 58.000 -0.300 0.000 1.264 429 F CB -0.076 38.804 39.000 -0.200 0.000 1.001 429 F HN 0.110 nan 8.300 nan 0.000 0.479 430 Q N -0.043 119.660 119.800 -0.161 0.000 2.124 430 Q HA -0.194 4.146 4.340 -0.000 0.000 0.202 430 Q C 2.404 178.297 176.000 -0.178 0.000 0.977 430 Q CA 1.450 57.145 55.803 -0.180 0.000 0.850 430 Q CB -0.368 28.302 28.738 -0.113 0.000 0.901 430 Q HN 0.571 nan 8.270 nan 0.000 0.429 431 A N 0.252 122.978 122.820 -0.157 0.000 1.855 431 A HA -0.149 4.171 4.320 -0.000 0.000 0.215 431 A C 1.830 179.433 177.584 0.031 0.000 1.191 431 A CA 0.987 52.985 52.037 -0.065 0.000 0.613 431 A CB -0.956 18.008 19.000 -0.061 0.000 0.829 431 A HN 0.408 nan 8.150 nan 0.000 0.442 432 F N 0.756 120.571 119.950 -0.226 0.000 2.091 432 F HA -0.234 4.293 4.527 -0.000 0.000 0.299 432 F C 2.815 178.423 175.800 -0.321 0.000 1.103 432 F CA 0.961 58.804 58.000 -0.262 0.000 1.228 432 F CB -0.260 38.575 39.000 -0.274 0.000 0.984 432 F HN 0.181 nan 8.300 nan 0.000 0.477 433 S N -0.142 115.404 115.700 -0.256 0.000 2.441 433 S HA -0.264 4.206 4.470 -0.000 0.000 0.242 433 S C 1.701 176.205 174.600 -0.160 0.000 1.018 433 S CA 1.038 59.050 58.200 -0.314 0.000 0.988 433 S CB -0.407 62.545 63.200 -0.414 0.000 0.778 433 S HN 0.227 nan 8.310 nan 0.000 0.498 434 R N 0.950 121.387 120.500 -0.106 0.000 2.091 434 R HA -0.076 4.264 4.340 -0.000 0.000 0.238 434 R C 2.153 178.418 176.300 -0.059 0.000 1.136 434 R CA 1.557 57.618 56.100 -0.064 0.000 0.959 434 R CB -0.674 29.608 30.300 -0.031 0.000 0.856 434 R HN 0.536 nan 8.270 nan 0.000 0.437 435 V N -2.748 117.116 119.914 -0.083 0.000 3.660 435 V HA 0.202 4.322 4.120 -0.000 0.000 0.276 435 V C 1.623 177.651 176.094 -0.110 0.000 1.317 435 V CA 0.287 62.538 62.300 -0.083 0.000 1.097 435 V CB -0.258 31.488 31.823 -0.129 0.000 0.863 435 V HN 0.125 nan 8.190 nan 0.000 0.438 436 I N 1.895 122.387 120.570 -0.130 0.000 2.623 436 I HA -0.193 3.977 4.170 -0.000 0.000 0.261 436 I C 2.810 178.881 176.117 -0.076 0.000 1.204 436 I CA 1.742 62.974 61.300 -0.115 0.000 1.444 436 I CB -0.424 37.505 38.000 -0.119 0.000 1.094 436 I HN 0.437 nan 8.210 nan 0.000 0.451 437 R N 1.886 122.347 120.500 -0.064 0.000 2.285 437 R HA -0.147 4.193 4.340 -0.000 0.000 0.213 437 R C 1.116 177.387 176.300 -0.049 0.000 1.068 437 R CA 1.366 57.436 56.100 -0.051 0.000 1.004 437 R CB -0.500 29.775 30.300 -0.042 0.000 0.873 437 R HN 0.460 nan 8.270 nan 0.000 0.467 438 E N 0.485 120.660 120.200 -0.040 0.000 2.442 438 E HA 0.108 4.458 4.350 -0.000 0.000 0.195 438 E C 1.607 178.175 176.600 -0.052 0.000 1.030 438 E CA 0.503 56.886 56.400 -0.029 0.000 0.869 438 E CB 0.205 29.921 29.700 0.027 0.000 0.857 438 E HN 0.472 nan 8.360 nan 0.000 0.505 439 A N 1.087 123.871 122.820 -0.061 0.000 2.225 439 A HA -0.061 4.259 4.320 -0.000 0.000 0.215 439 A C 2.151 179.675 177.584 -0.100 0.000 1.164 439 A CA 1.339 53.336 52.037 -0.067 0.000 0.710 439 A CB -0.619 18.352 19.000 -0.048 0.000 0.780 439 A HN 0.348 nan 8.150 nan 0.000 0.473 440 G N -0.329 108.388 108.800 -0.138 0.000 2.426 440 G HA2 -0.032 3.928 3.960 -0.000 0.000 0.214 440 G HA3 -0.032 3.928 3.960 -0.000 0.000 0.214 440 G C 1.527 176.209 174.900 -0.364 0.000 1.156 440 G CA 0.820 45.771 45.100 -0.248 0.000 0.802 440 G HN 0.546 nan 8.290 nan 0.000 0.534 441 K N -0.211 120.058 120.400 -0.217 0.000 2.284 441 K HA 0.231 4.551 4.320 -0.000 0.000 0.198 441 K C 1.412 177.921 176.600 -0.152 0.000 1.048 441 K CA 0.385 56.563 56.287 -0.182 0.000 0.987 441 K CB 0.253 32.693 32.500 -0.100 0.000 0.800 441 K HN 0.492 nan 8.250 nan 0.000 0.486 442 R N -1.531 118.884 120.500 -0.141 0.000 3.444 442 R HA 0.412 4.752 4.340 -0.000 0.000 0.255 442 R C -1.063 175.084 176.300 -0.254 0.000 1.246 442 R CA -0.879 55.134 56.100 -0.145 0.000 0.990 442 R CB 0.310 30.620 30.300 0.018 0.000 1.503 442 R HN -0.177 nan 8.270 nan 0.000 0.449 443 F N 0.612 120.569 119.950 0.012 0.000 2.436 443 F HA 0.545 5.072 4.527 -0.000 0.000 0.340 443 F C -0.421 175.364 175.800 -0.026 0.000 1.113 443 F CA -0.801 57.180 58.000 -0.032 0.000 1.022 443 F CB 2.403 41.370 39.000 -0.056 0.000 1.128 443 F HN 0.016 nan 8.300 nan 0.000 0.466 444 V N 4.763 124.752 119.914 0.125 0.000 2.444 444 V HA 0.440 4.560 4.120 -0.000 0.000 0.294 444 V C -0.738 175.330 176.094 -0.043 0.000 1.022 444 V CA -0.764 61.527 62.300 -0.015 0.000 0.850 444 V CB 1.860 33.619 31.823 -0.107 0.000 0.992 444 V HN 0.461 nan 8.190 nan 0.000 0.426 445 V N 6.516 126.375 119.914 -0.091 0.000 2.417 445 V HA 0.553 4.673 4.120 -0.000 0.000 0.291 445 V C -0.064 175.920 176.094 -0.184 0.000 1.024 445 V CA -0.397 61.846 62.300 -0.097 0.000 0.861 445 V CB 1.608 33.390 31.823 -0.068 0.000 0.985 445 V HN 0.821 nan 8.190 nan 0.000 0.436 446 M N 3.820 123.335 119.600 -0.142 0.000 2.528 446 M HA 0.438 4.918 4.480 -0.000 0.000 0.321 446 M C 0.062 176.378 176.300 0.025 0.000 1.153 446 M CA -0.635 54.572 55.300 -0.155 0.000 0.951 446 M CB 2.082 34.656 32.600 -0.042 0.000 1.705 446 M HN 0.776 nan 8.290 nan 0.000 0.451 447 D N -0.201 120.266 120.400 0.112 0.000 2.368 447 D HA 0.107 4.747 4.640 -0.000 0.000 0.218 447 D C -0.122 176.251 176.300 0.121 0.000 1.112 447 D CA 0.151 54.210 54.000 0.099 0.000 0.834 447 D CB 0.510 41.352 40.800 0.070 0.000 0.953 447 D HN 0.523 nan 8.370 nan 0.000 0.505 448 T N -1.259 113.416 114.554 0.201 0.000 2.886 448 T HA 0.617 4.966 4.350 -0.000 0.000 0.330 448 T C -2.148 172.626 174.700 0.124 0.000 1.488 448 T CA -0.141 62.020 62.100 0.101 0.000 1.054 448 T CB 1.358 70.242 68.868 0.026 0.000 1.348 448 T HN 0.272 nan 8.240 nan 0.000 0.489 449 A N 3.469 126.307 122.820 0.029 0.000 2.609 449 A HA 0.932 5.252 4.320 -0.000 0.000 0.291 449 A C -3.156 174.360 177.584 -0.114 0.000 1.096 449 A CA -1.318 50.724 52.037 0.008 0.000 0.684 449 A CB 1.214 20.227 19.000 0.022 0.000 1.282 449 A HN 0.627 nan 8.150 nan 0.000 0.412 450 P HA 0.422 nan 4.420 nan 0.000 0.276 450 P C 0.267 177.447 177.300 -0.200 0.000 1.252 450 P CA -0.115 62.833 63.100 -0.254 0.000 0.802 450 P CB 0.627 32.081 31.700 -0.409 0.000 1.035 451 T N -2.731 111.740 114.554 -0.138 0.000 2.754 451 T HA 0.256 4.606 4.350 -0.000 0.000 0.286 451 T C 1.634 176.280 174.700 -0.089 0.000 0.997 451 T CA 0.038 62.086 62.100 -0.087 0.000 0.982 451 T CB 0.150 69.000 68.868 -0.028 0.000 1.027 451 T HN 0.424 nan 8.240 nan 0.000 0.529 452 G N -0.272 108.500 108.800 -0.047 0.000 2.421 452 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.216 452 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.216 452 G C 1.357 176.244 174.900 -0.023 0.000 1.171 452 G CA 1.305 46.381 45.100 -0.040 0.000 0.775 452 G HN 1.052 nan 8.290 nan 0.000 0.543 453 H N 0.785 119.815 119.070 -0.067 0.000 2.289 453 H HA -0.102 4.454 4.556 -0.000 0.000 0.296 453 H C 2.625 177.913 175.328 -0.067 0.000 1.091 453 H CA 2.498 58.514 56.048 -0.054 0.000 1.274 453 H CB -0.533 29.201 29.762 -0.046 0.000 1.364 453 H HN 0.253 nan 8.280 nan 0.000 0.490 454 T N 1.603 116.042 114.554 -0.191 0.000 2.788 454 T HA -0.094 4.256 4.350 -0.000 0.000 0.268 454 T C 2.069 176.616 174.700 -0.254 0.000 1.044 454 T CA 1.078 63.021 62.100 -0.262 0.000 1.139 454 T CB -0.157 68.617 68.868 -0.158 0.000 0.867 454 T HN 0.146 nan 8.240 nan 0.000 0.454 455 L N 0.706 121.789 121.223 -0.233 0.000 2.046 455 L HA 0.041 4.381 4.340 -0.000 0.000 0.208 455 L C 2.411 179.187 176.870 -0.156 0.000 1.077 455 L CA 1.481 56.184 54.840 -0.228 0.000 0.747 455 L CB -1.422 40.504 42.059 -0.222 0.000 0.896 455 L HN 0.332 nan 8.230 nan 0.000 0.432 456 L N -1.276 119.859 121.223 -0.147 0.000 2.046 456 L HA -0.255 4.085 4.340 -0.000 0.000 0.208 456 L C 2.537 179.327 176.870 -0.133 0.000 1.077 456 L CA 0.621 55.394 54.840 -0.112 0.000 0.747 456 L CB -0.431 41.575 42.059 -0.088 0.000 0.896 456 L HN 0.219 nan 8.230 nan 0.000 0.432 457 L N -0.385 120.704 121.223 -0.223 0.000 1.994 457 L HA -0.207 4.133 4.340 -0.000 0.000 0.208 457 L C 2.362 179.169 176.870 -0.105 0.000 1.071 457 L CA 1.750 56.472 54.840 -0.196 0.000 0.745 457 L CB -0.629 41.246 42.059 -0.305 0.000 0.892 457 L HN 0.123 nan 8.230 nan 0.000 0.431 458 L N -0.913 120.247 121.223 -0.104 0.000 2.131 458 L HA -0.237 4.103 4.340 -0.000 0.000 0.210 458 L C 2.179 179.037 176.870 -0.021 0.000 1.092 458 L CA 1.269 56.081 54.840 -0.046 0.000 0.759 458 L CB -0.544 41.485 42.059 -0.051 0.000 0.903 458 L HN 0.314 nan 8.230 nan 0.000 0.435 459 D N 0.061 120.439 120.400 -0.037 0.000 2.144 459 D HA -0.158 4.481 4.640 -0.000 0.000 0.199 459 D C 2.141 178.437 176.300 -0.007 0.000 0.984 459 D CA 1.257 55.249 54.000 -0.014 0.000 0.834 459 D CB 0.181 40.968 40.800 -0.022 0.000 0.955 459 D HN 0.254 nan 8.370 nan 0.000 0.465 460 A N -0.447 122.363 122.820 -0.016 0.000 2.015 460 A HA -0.011 4.309 4.320 -0.000 0.000 0.219 460 A C 1.638 179.224 177.584 0.005 0.000 1.163 460 A CA 0.955 52.988 52.037 -0.006 0.000 0.646 460 A CB -0.750 18.242 19.000 -0.013 0.000 0.806 460 A HN 0.236 nan 8.150 nan 0.000 0.448 480 T N 5.047 119.649 114.554 0.080 0.000 2.794 480 T HA 0.420 4.769 4.350 -0.000 0.000 0.296 480 T C -2.311 172.453 174.700 0.107 0.000 0.949 480 T CA -1.471 60.713 62.100 0.140 0.000 1.101 480 T CB 1.075 70.013 68.868 0.117 0.000 0.905 480 T HN 0.035 nan 8.240 nan 0.000 0.516 481 P HA 0.156 nan 4.420 nan 0.000 0.220 481 P C 1.007 178.365 177.300 0.096 0.000 1.793 481 P CA -0.341 62.812 63.100 0.088 0.000 0.917 481 P CB 0.049 31.789 31.700 0.068 0.000 1.755 482 M N 1.258 120.906 119.600 0.080 0.000 2.103 482 M HA -0.222 4.258 4.480 -0.000 0.000 0.255 482 M C 1.964 178.292 176.300 0.047 0.000 1.074 482 M CA 2.117 57.449 55.300 0.054 0.000 1.090 482 M CB -0.862 31.755 32.600 0.030 0.000 1.325 482 M HN -0.029 nan 8.290 nan 0.000 0.403 483 M N -1.231 118.393 119.600 0.040 0.000 2.108 483 M HA -0.211 4.269 4.480 -0.000 0.000 0.261 483 M C 2.063 178.386 176.300 0.038 0.000 1.066 483 M CA 1.494 56.815 55.300 0.034 0.000 1.107 483 M CB -0.881 31.735 32.600 0.026 0.000 1.356 483 M HN 0.440 nan 8.290 nan 0.000 0.406 484 L N 1.064 122.312 121.223 0.041 0.000 2.017 484 L HA -0.160 4.180 4.340 -0.000 0.000 0.208 484 L C 2.118 179.018 176.870 0.050 0.000 1.073 484 L CA 1.843 56.706 54.840 0.039 0.000 0.745 484 L CB -0.714 41.367 42.059 0.036 0.000 0.894 484 L HN 0.247 nan 8.230 nan 0.000 0.432 485 L N -1.020 120.244 121.223 0.069 0.000 2.131 485 L HA -0.229 4.111 4.340 -0.000 0.000 0.210 485 L C 2.519 179.426 176.870 0.061 0.000 1.092 485 L CA 1.321 56.205 54.840 0.073 0.000 0.759 485 L CB -0.634 41.474 42.059 0.080 0.000 0.903 485 L HN 0.445 nan 8.230 nan 0.000 0.435 486 Q N -0.937 118.896 119.800 0.055 0.000 2.389 486 Q HA -0.052 4.288 4.340 -0.000 0.000 0.204 486 Q C 0.480 176.517 176.000 0.062 0.000 0.944 486 Q CA 0.126 55.965 55.803 0.060 0.000 0.908 486 Q CB 0.159 28.927 28.738 0.050 0.000 1.002 486 Q HN 0.309 nan 8.270 nan 0.000 0.493 487 D N 0.824 121.254 120.400 0.050 0.000 2.339 487 D HA 0.031 4.671 4.640 -0.000 0.000 0.256 487 D C -1.952 174.376 176.300 0.047 0.000 1.214 487 D CA -1.872 52.154 54.000 0.044 0.000 0.877 487 D CB 1.465 42.285 40.800 0.032 0.000 1.111 487 D HN -0.060 nan 8.370 nan 0.000 0.478 488 P HA -0.057 nan 4.420 nan 0.000 0.223 488 P C 0.698 178.017 177.300 0.032 0.000 1.151 488 P CA 0.665 63.812 63.100 0.079 0.000 0.787 488 P CB 0.493 32.257 31.700 0.106 0.000 0.788 489 E N -1.255 118.954 120.200 0.015 0.000 2.400 489 E HA 0.083 4.433 4.350 -0.000 0.000 0.195 489 E C 1.848 178.422 176.600 -0.042 0.000 1.012 489 E CA 0.454 56.843 56.400 -0.018 0.000 0.875 489 E CB -0.005 29.700 29.700 0.008 0.000 0.859 489 E HN 0.312 nan 8.360 nan 0.000 0.498 490 R N -0.122 120.370 120.500 -0.013 0.000 2.195 490 R HA 0.170 4.510 4.340 -0.000 0.000 0.197 490 R C 0.322 176.603 176.300 -0.031 0.000 0.990 490 R CA 0.611 56.710 56.100 -0.002 0.000 1.048 490 R CB 0.565 30.875 30.300 0.017 0.000 0.997 490 R HN -0.081 nan 8.270 nan 0.000 0.502 491 T N 1.345 115.882 114.554 -0.029 0.000 2.841 491 T HA 0.378 4.728 4.350 -0.000 0.000 0.283 491 T C -0.683 173.979 174.700 -0.063 0.000 1.000 491 T CA -0.557 61.526 62.100 -0.029 0.000 0.977 491 T CB 2.531 71.412 68.868 0.023 0.000 0.979 491 T HN -0.116 nan 8.240 nan 0.000 0.446 492 K N 2.408 122.745 120.400 -0.106 0.000 2.572 492 K HA 0.525 4.845 4.320 -0.000 0.000 0.244 492 K C -1.045 175.558 176.600 0.006 0.000 0.965 492 K CA -0.593 55.605 56.287 -0.149 0.000 0.943 492 K CB 1.755 33.935 32.500 -0.533 0.000 1.154 492 K HN 0.318 nan 8.250 nan 0.000 0.447 493 V N 5.187 125.172 119.914 0.118 0.000 2.432 493 V HA 0.333 4.453 4.120 -0.000 0.000 0.275 493 V C -0.039 176.152 176.094 0.162 0.000 1.043 493 V CA -0.616 61.750 62.300 0.110 0.000 0.925 493 V CB 0.773 32.653 31.823 0.095 0.000 0.985 493 V HN 0.565 nan 8.190 nan 0.000 0.466 494 L N 5.521 126.803 121.223 0.097 0.000 2.341 494 L HA 0.541 4.881 4.340 -0.000 0.000 0.278 494 L C -0.803 176.032 176.870 -0.058 0.000 1.005 494 L CA -0.785 54.113 54.840 0.097 0.000 0.818 494 L CB 1.788 43.917 42.059 0.116 0.000 1.259 494 L HN 0.367 nan 8.230 nan 0.000 0.418 495 L N 3.876 124.970 121.223 -0.214 0.000 2.272 495 L HA 0.467 4.806 4.340 -0.000 0.000 0.289 495 L C -0.226 176.400 176.870 -0.408 0.000 1.032 495 L CA -0.191 54.341 54.840 -0.513 0.000 0.810 495 L CB 1.715 43.042 42.059 -1.219 0.000 1.205 495 L HN 0.229 nan 8.230 nan 0.000 0.422 496 V N 4.074 123.827 119.914 -0.270 0.000 2.427 496 V HA 0.732 4.852 4.120 -0.000 0.000 0.286 496 V C 0.325 176.319 176.094 -0.168 0.000 1.034 496 V CA -0.311 61.901 62.300 -0.146 0.000 0.893 496 V CB 1.407 33.184 31.823 -0.076 0.000 0.982 496 V HN 0.885 nan 8.190 nan 0.000 0.452 497 T N 4.306 118.814 114.554 -0.077 0.000 2.647 497 T HA 0.730 5.080 4.350 -0.000 0.000 0.295 497 T C -1.462 173.251 174.700 0.023 0.000 1.126 497 T CA -0.469 61.606 62.100 -0.042 0.000 1.040 497 T CB 1.366 70.225 68.868 -0.015 0.000 1.472 497 T HN 0.411 nan 8.240 nan 0.000 0.500 498 L N 2.163 123.408 121.223 0.037 0.000 2.341 498 L HA 0.548 4.888 4.340 -0.000 0.000 0.267 498 L C -1.865 175.045 176.870 0.066 0.000 1.009 498 L CA -2.444 52.423 54.840 0.044 0.000 0.819 498 L CB 2.353 44.428 42.059 0.027 0.000 1.323 498 L HN 0.494 nan 8.230 nan 0.000 0.425 499 P HA 0.069 nan 4.420 nan 0.000 0.249 499 P C -0.819 176.513 177.300 0.053 0.000 1.686 499 P CA 0.278 63.416 63.100 0.064 0.000 0.873 499 P CB -0.067 31.664 31.700 0.052 0.000 1.828 500 E N -1.028 119.205 120.200 0.054 0.000 2.312 500 E HA 0.201 4.551 4.350 -0.000 0.000 0.267 500 E C 1.210 177.838 176.600 0.048 0.000 0.894 500 E CA -0.690 55.736 56.400 0.042 0.000 0.773 500 E CB 1.239 30.957 29.700 0.031 0.000 1.241 500 E HN -0.074 nan 8.360 nan 0.000 0.432 501 T N -1.097 113.480 114.554 0.039 0.000 2.544 501 T HA -0.267 4.082 4.350 -0.000 0.000 0.264 501 T C 1.764 176.487 174.700 0.039 0.000 1.096 501 T CA 2.251 64.375 62.100 0.041 0.000 1.181 501 T CB -0.858 68.027 68.868 0.028 0.000 0.864 501 T HN 0.423 nan 8.240 nan 0.000 0.415 502 T N 3.221 117.791 114.554 0.027 0.000 2.652 502 T HA -0.029 4.321 4.350 -0.000 0.000 0.267 502 T C -0.302 174.410 174.700 0.019 0.000 1.039 502 T CA 1.802 63.916 62.100 0.023 0.000 1.153 502 T CB -1.477 67.402 68.868 0.018 0.000 0.863 502 T HN 0.401 nan 8.240 nan 0.000 0.428 503 P HA -0.040 nan 4.420 nan 0.000 0.216 503 P C 1.662 178.974 177.300 0.019 0.000 1.153 503 P CA 0.618 63.723 63.100 0.009 0.000 0.858 503 P CB -0.204 31.504 31.700 0.014 0.000 0.789 504 V N -1.013 118.936 119.914 0.059 0.000 2.427 504 V HA -0.207 3.913 4.120 -0.000 0.000 0.248 504 V C 2.357 178.473 176.094 0.037 0.000 1.051 504 V CA 1.423 63.789 62.300 0.111 0.000 1.048 504 V CB -1.080 30.826 31.823 0.138 0.000 0.666 504 V HN 0.049 nan 8.190 nan 0.000 0.456 505 L N 0.105 121.341 121.223 0.022 0.000 1.994 505 L HA -0.167 4.173 4.340 -0.000 0.000 0.208 505 L C 2.488 179.353 176.870 -0.008 0.000 1.071 505 L CA 1.979 56.822 54.840 0.005 0.000 0.745 505 L CB -0.612 41.462 42.059 0.025 0.000 0.892 505 L HN 0.356 nan 8.230 nan 0.000 0.431 506 E N -0.839 119.354 120.200 -0.012 0.000 2.153 506 E HA -0.231 4.119 4.350 -0.000 0.000 0.194 506 E C 2.121 178.681 176.600 -0.067 0.000 0.988 506 E CA 1.004 57.385 56.400 -0.031 0.000 0.811 506 E CB -0.262 29.420 29.700 -0.031 0.000 0.746 506 E HN 0.627 nan 8.360 nan 0.000 0.466 507 A N 1.673 124.437 122.820 -0.093 0.000 1.873 507 A HA -0.082 4.238 4.320 -0.000 0.000 0.215 507 A C 2.447 179.966 177.584 -0.109 0.000 1.186 507 A CA 1.576 53.470 52.037 -0.240 0.000 0.616 507 A CB -0.700 18.052 19.000 -0.414 0.000 0.823 507 A HN 0.287 nan 8.150 nan 0.000 0.442 508 A N 0.474 123.346 122.820 0.086 0.000 1.892 508 A HA -0.279 4.041 4.320 -0.000 0.000 0.218 508 A C 1.901 179.525 177.584 0.066 0.000 1.188 508 A CA 1.941 54.048 52.037 0.115 0.000 0.631 508 A CB -1.042 17.858 19.000 -0.167 0.000 0.822 508 A HN 0.745 nan 8.150 nan 0.000 0.447 509 N N -0.650 118.058 118.700 0.013 0.000 2.244 509 N HA -0.105 4.635 4.740 -0.000 0.000 0.183 509 N C 1.459 176.962 175.510 -0.013 0.000 1.016 509 N CA 0.900 53.953 53.050 0.005 0.000 0.866 509 N CB -0.169 38.316 38.487 -0.004 0.000 0.980 509 N HN 0.261 nan 8.380 nan 0.000 0.430 510 L N 1.717 122.914 121.223 -0.043 0.000 2.017 510 L HA -0.187 4.153 4.340 -0.000 0.000 0.208 510 L C 2.577 179.418 176.870 -0.048 0.000 1.073 510 L CA 1.582 56.382 54.840 -0.067 0.000 0.745 510 L CB -1.175 40.809 42.059 -0.125 0.000 0.894 510 L HN 0.228 nan 8.230 nan 0.000 0.432 511 Q N -0.904 118.882 119.800 -0.022 0.000 2.061 511 Q HA -0.237 4.103 4.340 -0.000 0.000 0.204 511 Q C 2.155 178.153 176.000 -0.004 0.000 0.984 511 Q CA 2.133 57.950 55.803 0.024 0.000 0.846 511 Q CB -0.117 28.742 28.738 0.202 0.000 0.902 511 Q HN 0.491 nan 8.270 nan 0.000 0.421 512 A N 0.594 123.424 122.820 0.016 0.000 1.908 512 A HA -0.249 4.071 4.320 -0.000 0.000 0.218 512 A C 1.766 179.345 177.584 -0.008 0.000 1.181 512 A CA 1.930 53.968 52.037 0.002 0.000 0.627 512 A CB -0.872 18.142 19.000 0.023 0.000 0.818 512 A HN 0.618 nan 8.150 nan 0.000 0.445 513 D N -0.306 120.090 120.400 -0.007 0.000 2.117 513 D HA -0.095 4.545 4.640 -0.000 0.000 0.198 513 D C 1.858 178.151 176.300 -0.011 0.000 0.982 513 D CA 1.102 55.100 54.000 -0.003 0.000 0.828 513 D CB -0.203 40.595 40.800 -0.004 0.000 0.967 513 D HN 0.409 nan 8.370 nan 0.000 0.464 514 L N 0.221 121.428 121.223 -0.027 0.000 2.083 514 L HA -0.134 4.206 4.340 -0.000 0.000 0.209 514 L C 2.388 179.244 176.870 -0.025 0.000 1.083 514 L CA 1.192 56.013 54.840 -0.031 0.000 0.752 514 L CB -0.368 41.669 42.059 -0.036 0.000 0.899 514 L HN 0.113 nan 8.230 nan 0.000 0.433 515 E N -0.233 119.939 120.200 -0.047 0.000 2.153 515 E HA -0.204 4.146 4.350 -0.000 0.000 0.194 515 E C 2.268 178.871 176.600 0.004 0.000 0.988 515 E CA 0.749 57.120 56.400 -0.047 0.000 0.811 515 E CB 0.047 29.671 29.700 -0.127 0.000 0.746 515 E HN 0.377 nan 8.360 nan 0.000 0.466 516 R N -0.047 120.456 120.500 0.005 0.000 2.189 516 R HA -0.028 4.312 4.340 -0.000 0.000 0.223 516 R C 1.663 177.973 176.300 0.017 0.000 1.092 516 R CA 0.926 57.037 56.100 0.018 0.000 0.989 516 R CB 0.044 30.357 30.300 0.022 0.000 0.876 516 R HN 0.017 nan 8.270 nan 0.000 0.457 517 A N -0.067 122.758 122.820 0.007 0.000 2.379 517 A HA 0.303 4.623 4.320 -0.000 0.000 0.236 517 A C 1.185 178.778 177.584 0.015 0.000 1.272 517 A CA 0.459 52.496 52.037 0.000 0.000 0.886 517 A CB 0.039 19.024 19.000 -0.024 0.000 0.962 517 A HN 0.379 nan 8.150 nan 0.000 0.504 518 G N -0.598 108.222 108.800 0.035 0.000 2.148 518 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.254 518 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.254 518 G C 0.020 174.967 174.900 0.078 0.000 0.981 518 G CA 0.509 45.645 45.100 0.059 0.000 0.670 518 G HN 0.529 nan 8.290 nan 0.000 0.528 519 I N 0.253 120.862 120.570 0.064 0.000 2.362 519 I HA 0.385 4.555 4.170 -0.000 0.000 0.289 519 I C 0.010 176.190 176.117 0.106 0.000 0.994 519 I CA -0.925 60.425 61.300 0.084 0.000 1.158 519 I CB 1.522 39.547 38.000 0.042 0.000 1.315 519 I HN 0.146 nan 8.210 nan 0.000 0.451 520 H N 7.017 126.142 119.070 0.092 0.000 2.638 520 H HA 0.367 4.922 4.556 -0.000 0.000 0.303 520 H C -2.336 173.088 175.328 0.160 0.000 1.034 520 H CA -1.541 54.577 56.048 0.116 0.000 1.225 520 H CB 1.101 30.926 29.762 0.105 0.000 1.394 520 H HN 0.314 nan 8.280 nan 0.000 0.477 521 P HA -0.163 nan 4.420 nan 0.000 0.264 521 P C -0.081 177.454 177.300 0.393 0.000 1.179 521 P CA 0.368 63.636 63.100 0.279 0.000 0.763 521 P CB 0.608 32.460 31.700 0.253 0.000 0.806 522 W N 3.531 124.932 121.300 0.169 0.000 2.737 522 W HA 0.270 4.930 4.660 -0.000 0.000 0.262 522 W C 0.426 177.044 176.519 0.166 0.000 1.282 522 W CA 1.230 58.662 57.345 0.145 0.000 1.386 522 W CB 0.417 29.931 29.460 0.092 0.000 1.099 522 W HN 0.467 nan 8.180 nan 0.000 0.621 523 G N -1.418 107.609 108.800 0.378 0.000 2.547 523 G HA2 0.375 4.335 3.960 -0.000 0.000 0.291 523 G HA3 0.375 4.335 3.960 -0.000 0.000 0.291 523 G C -2.416 172.756 174.900 0.454 0.000 1.471 523 G CA -0.959 44.301 45.100 0.267 0.000 0.798 523 G HN -0.043 nan 8.290 nan 0.000 0.504 524 W N 0.011 121.333 121.300 0.036 0.000 2.666 524 W HA 0.761 5.421 4.660 -0.000 0.000 0.334 524 W C -0.139 176.403 176.519 0.039 0.000 1.051 524 W CA -0.950 56.421 57.345 0.043 0.000 1.224 524 W CB 1.772 31.251 29.460 0.032 0.000 1.405 524 W HN 0.282 nan 8.180 nan 0.000 0.513 525 I N 4.685 125.379 120.570 0.207 0.000 2.382 525 I HA 0.299 4.469 4.170 -0.000 0.000 0.286 525 I C -0.391 175.798 176.117 0.120 0.000 1.002 525 I CA -0.790 60.590 61.300 0.133 0.000 1.135 525 I CB 0.876 38.921 38.000 0.075 0.000 1.288 525 I HN 0.137 nan 8.210 nan 0.000 0.448 526 I N 6.001 126.648 120.570 0.128 0.000 2.291 526 I HA 0.180 4.350 4.170 -0.000 0.000 0.292 526 I C 0.152 176.310 176.117 0.069 0.000 1.064 526 I CA -0.186 61.181 61.300 0.111 0.000 1.269 526 I CB 0.493 38.563 38.000 0.117 0.000 1.418 526 I HN 0.557 nan 8.210 nan 0.000 0.485 527 N N 5.577 124.307 118.700 0.050 0.000 2.476 527 N HA 0.243 4.983 4.740 -0.000 0.000 0.275 527 N C 0.139 175.670 175.510 0.034 0.000 1.190 527 N CA -0.118 52.953 53.050 0.036 0.000 0.977 527 N CB 0.631 39.132 38.487 0.023 0.000 1.200 527 N HN 0.444 nan 8.380 nan 0.000 0.515 528 N N -0.340 118.378 118.700 0.030 0.000 2.727 528 N HA -0.204 4.536 4.740 -0.000 0.000 0.251 528 N C -1.353 174.177 175.510 0.033 0.000 1.040 528 N CA 0.488 53.556 53.050 0.029 0.000 0.712 528 N CB -1.292 37.210 38.487 0.025 0.000 0.912 528 N HN 0.450 nan 8.380 nan 0.000 0.545 529 S N 0.091 115.811 115.700 0.034 0.000 2.457 529 S HA 0.482 4.952 4.470 -0.000 0.000 0.289 529 S C 1.366 175.985 174.600 0.032 0.000 1.163 529 S CA -0.699 57.521 58.200 0.034 0.000 1.078 529 S CB 0.989 64.211 63.200 0.036 0.000 0.987 529 S HN 0.326 nan 8.310 nan 0.000 0.482 530 L N 4.073 125.315 121.223 0.031 0.000 2.418 530 L HA 0.040 4.380 4.340 -0.000 0.000 0.218 530 L C 2.411 179.297 176.870 0.027 0.000 1.125 530 L CA 0.339 55.197 54.840 0.030 0.000 0.835 530 L CB -0.312 41.765 42.059 0.031 0.000 0.953 530 L HN 0.599 nan 8.230 nan 0.000 0.454 531 S N 0.275 115.990 115.700 0.026 0.000 2.356 531 S HA -0.147 4.323 4.470 -0.000 0.000 0.223 531 S C 1.679 176.293 174.600 0.023 0.000 1.032 531 S CA 1.154 59.368 58.200 0.023 0.000 1.005 531 S CB -0.103 63.110 63.200 0.022 0.000 0.867 531 S HN 0.383 nan 8.310 nan 0.000 0.449 532 I N 1.114 121.699 120.570 0.025 0.000 3.749 532 I HA 0.252 4.422 4.170 -0.000 0.000 0.314 532 I C 0.146 176.279 176.117 0.027 0.000 1.278 532 I CA -0.338 60.976 61.300 0.024 0.000 1.158 532 I CB -0.480 37.533 38.000 0.023 0.000 1.018 532 I HN 0.139 nan 8.210 nan 0.000 0.435 533 A N 0.819 123.655 122.820 0.028 0.000 2.337 533 A HA 0.469 4.789 4.320 -0.000 0.000 0.331 533 A C -0.971 176.630 177.584 0.028 0.000 1.137 533 A CA -0.746 51.309 52.037 0.030 0.000 0.807 533 A CB 0.580 19.599 19.000 0.031 0.000 1.250 533 A HN 0.387 nan 8.150 nan 0.000 0.468 534 D N 1.316 121.733 120.400 0.029 0.000 2.374 534 D HA 0.437 5.077 4.640 -0.000 0.000 0.240 534 D C -0.370 175.946 176.300 0.025 0.000 1.229 534 D CA 0.051 54.067 54.000 0.027 0.000 0.895 534 D CB 0.842 41.658 40.800 0.028 0.000 1.046 534 D HN 0.291 nan 8.370 nan 0.000 0.498 535 T N 1.139 115.706 114.554 0.023 0.000 3.105 535 T HA 0.372 4.722 4.350 -0.000 0.000 0.321 535 T C 0.237 174.947 174.700 0.016 0.000 1.135 535 T CA -0.719 61.394 62.100 0.021 0.000 1.053 535 T CB 1.104 69.988 68.868 0.026 0.000 1.133 535 T HN 0.114 nan 8.240 nan 0.000 0.463 536 R N 1.783 122.290 120.500 0.013 0.000 2.265 536 R HA 0.300 4.640 4.340 -0.000 0.000 0.194 536 R C 1.097 177.400 176.300 0.006 0.000 0.931 536 R CA 0.112 56.217 56.100 0.008 0.000 1.032 536 R CB 0.025 30.327 30.300 0.004 0.000 0.980 536 R HN 0.553 nan 8.270 nan 0.000 0.497 537 S N 2.848 118.553 115.700 0.009 0.000 2.737 537 S HA 0.001 4.471 4.470 -0.000 0.000 0.315 537 S C -1.300 173.305 174.600 0.009 0.000 1.236 537 S CA -1.110 57.095 58.200 0.009 0.000 1.093 537 S CB 0.592 63.803 63.200 0.019 0.000 0.832 537 S HN 0.097 nan 8.310 nan 0.000 0.507 538 P HA -0.146 nan 4.420 nan 0.000 0.218 538 P C 1.500 178.805 177.300 0.008 0.000 1.148 538 P CA 0.650 63.751 63.100 0.003 0.000 0.822 538 P CB 0.101 31.798 31.700 -0.004 0.000 0.784 539 L N -0.715 120.515 121.223 0.011 0.000 2.109 539 L HA -0.030 4.310 4.340 -0.000 0.000 0.207 539 L C 2.403 179.289 176.870 0.027 0.000 1.086 539 L CA 1.528 56.379 54.840 0.019 0.000 0.760 539 L CB -1.429 40.644 42.059 0.024 0.000 0.910 539 L HN -0.181 nan 8.230 nan 0.000 0.437 540 L N -0.503 120.738 121.223 0.029 0.000 2.141 540 L HA -0.137 4.203 4.340 -0.000 0.000 0.209 540 L C 2.696 179.582 176.870 0.026 0.000 1.094 540 L CA 1.421 56.280 54.840 0.032 0.000 0.763 540 L CB -1.123 40.957 42.059 0.035 0.000 0.908 540 L HN 0.370 nan 8.230 nan 0.000 0.437 541 R N -1.148 119.364 120.500 0.020 0.000 2.075 541 R HA -0.163 4.177 4.340 -0.000 0.000 0.232 541 R C 2.153 178.463 176.300 0.015 0.000 1.126 541 R CA 1.135 57.245 56.100 0.017 0.000 0.963 541 R CB -0.244 30.064 30.300 0.012 0.000 0.858 541 R HN 0.135 nan 8.270 nan 0.000 0.435 542 M N 0.457 120.066 119.600 0.015 0.000 2.229 542 M HA -0.089 4.391 4.480 -0.000 0.000 0.264 542 M C 1.766 178.076 176.300 0.017 0.000 1.063 542 M CA 1.598 56.906 55.300 0.013 0.000 1.114 542 M CB 0.064 32.672 32.600 0.012 0.000 1.387 542 M HN -0.133 nan 8.290 nan 0.000 0.420 543 R N -0.228 120.285 120.500 0.022 0.000 2.073 543 R HA 0.139 4.479 4.340 -0.000 0.000 0.229 543 R C 2.215 178.528 176.300 0.023 0.000 1.120 543 R CA 1.449 57.563 56.100 0.024 0.000 0.967 543 R CB -1.659 28.660 30.300 0.031 0.000 0.862 543 R HN 0.486 nan 8.270 nan 0.000 0.436 544 A N 1.031 123.865 122.820 0.023 0.000 1.978 544 A HA -0.232 4.088 4.320 -0.000 0.000 0.220 544 A C 2.127 179.722 177.584 0.019 0.000 1.170 544 A CA 1.660 53.710 52.037 0.022 0.000 0.636 544 A CB -0.486 18.527 19.000 0.021 0.000 0.810 544 A HN 0.417 nan 8.150 nan 0.000 0.448 545 Q N -1.194 118.615 119.800 0.016 0.000 2.297 545 Q HA -0.153 4.187 4.340 -0.000 0.000 0.204 545 Q C 1.815 177.823 176.000 0.012 0.000 0.962 545 Q CA 0.959 56.769 55.803 0.012 0.000 0.879 545 Q CB -0.025 28.718 28.738 0.009 0.000 0.947 545 Q HN 0.618 nan 8.270 nan 0.000 0.462 546 Q N 0.341 120.149 119.800 0.014 0.000 2.230 546 Q HA -0.139 4.201 4.340 -0.000 0.000 0.202 546 Q C 1.422 177.433 176.000 0.017 0.000 0.963 546 Q CA 1.132 56.943 55.803 0.014 0.000 0.866 546 Q CB 0.136 28.883 28.738 0.015 0.000 0.931 546 Q HN 0.590 nan 8.270 nan 0.000 0.452 547 E N 0.655 120.867 120.200 0.021 0.000 2.107 547 E HA -0.085 4.265 4.350 -0.000 0.000 0.191 547 E C 2.169 178.783 176.600 0.023 0.000 0.982 547 E CA 0.277 56.693 56.400 0.026 0.000 0.809 547 E CB -0.216 29.501 29.700 0.029 0.000 0.756 547 E HN 0.229 nan 8.360 nan 0.000 0.459 548 L N 0.904 122.137 121.223 0.017 0.000 2.058 548 L HA -0.247 4.093 4.340 -0.000 0.000 0.226 548 L C -0.448 176.427 176.870 0.009 0.000 1.089 548 L CA 1.941 56.788 54.840 0.011 0.000 0.799 548 L CB -1.740 40.324 42.059 0.007 0.000 0.900 548 L HN 0.165 nan 8.230 nan 0.000 0.442 549 P HA -0.136 nan 4.420 nan 0.000 0.219 549 P C 1.406 178.715 177.300 0.017 0.000 1.150 549 P CA 0.990 64.094 63.100 0.007 0.000 0.814 549 P CB 0.085 31.789 31.700 0.007 0.000 0.787 550 Q N -0.756 119.062 119.800 0.030 0.000 2.083 550 Q HA -0.043 4.297 4.340 -0.000 0.000 0.198 550 Q C 2.141 178.174 176.000 0.055 0.000 0.969 550 Q CA 1.268 57.102 55.803 0.052 0.000 0.838 550 Q CB -1.015 27.758 28.738 0.058 0.000 0.900 550 Q HN 0.257 nan 8.270 nan 0.000 0.436 551 I N 0.401 120.995 120.570 0.040 0.000 2.226 551 I HA -0.227 3.943 4.170 -0.000 0.000 0.245 551 I C 2.170 178.289 176.117 0.004 0.000 1.100 551 I CA 0.948 62.268 61.300 0.033 0.000 1.374 551 I CB -0.205 37.811 38.000 0.027 0.000 1.057 551 I HN 0.219 nan 8.210 nan 0.000 0.413 552 E N 0.589 120.785 120.200 -0.008 0.000 2.110 552 E HA -0.168 4.182 4.350 -0.000 0.000 0.193 552 E C 2.341 178.904 176.600 -0.062 0.000 0.988 552 E CA 1.009 57.389 56.400 -0.034 0.000 0.804 552 E CB -0.054 29.628 29.700 -0.030 0.000 0.745 552 E HN 0.285 nan 8.360 nan 0.000 0.458 553 S N -0.048 115.628 115.700 -0.040 0.000 2.353 553 S HA -0.149 4.321 4.470 -0.000 0.000 0.222 553 S C 2.150 176.664 174.600 -0.143 0.000 1.035 553 S CA 1.337 59.491 58.200 -0.077 0.000 1.025 553 S CB -0.207 63.018 63.200 0.041 0.000 0.902 553 S HN 0.090 nan 8.310 nan 0.000 0.440 554 V N 1.840 121.734 119.914 -0.034 0.000 2.252 554 V HA -0.242 3.878 4.120 -0.000 0.000 0.249 554 V C 2.375 178.321 176.094 -0.247 0.000 1.056 554 V CA 2.291 64.503 62.300 -0.147 0.000 1.022 554 V CB -0.619 31.182 31.823 -0.037 0.000 0.641 554 V HN 0.475 nan 8.190 nan 0.000 0.445 555 K N -0.152 120.156 120.400 -0.153 0.000 2.057 555 K HA -0.189 4.131 4.320 -0.000 0.000 0.206 555 K C 2.338 178.837 176.600 -0.169 0.000 1.050 555 K CA 1.547 57.746 56.287 -0.147 0.000 0.935 555 K CB -0.082 32.364 32.500 -0.090 0.000 0.715 555 K HN 0.181 nan 8.250 nan 0.000 0.439 556 R N -0.121 120.278 120.500 -0.168 0.000 2.153 556 R HA 0.030 4.370 4.340 -0.000 0.000 0.218 556 R C 1.871 178.037 176.300 -0.223 0.000 1.072 556 R CA 1.317 57.318 56.100 -0.165 0.000 0.990 556 R CB 0.264 30.484 30.300 -0.133 0.000 0.889 556 R HN 0.353 nan 8.270 nan 0.000 0.452 557 Q N -2.330 117.262 119.800 -0.346 0.000 2.215 557 Q HA 0.047 4.387 4.340 -0.000 0.000 0.257 557 Q C 0.708 176.372 176.000 -0.559 0.000 0.792 557 Q CA -0.078 55.452 55.803 -0.456 0.000 0.958 557 Q CB 0.607 29.006 28.738 -0.565 0.000 1.158 557 Q HN 0.390 nan 8.270 nan 0.000 0.490 558 H N -0.728 118.112 119.070 -0.383 0.000 2.506 558 H HA 0.425 4.981 4.556 -0.000 0.000 0.289 558 H C 0.095 174.954 175.328 -0.782 0.000 1.009 558 H CA 0.926 56.600 56.048 -0.622 0.000 1.303 558 H CB 0.861 29.983 29.762 -1.066 0.000 1.453 558 H HN 0.185 nan 8.280 nan 0.000 0.526 559 A N 0.074 122.502 122.820 -0.652 0.000 2.374 559 A HA 0.486 4.806 4.320 -0.000 0.000 0.317 559 A C 0.816 178.253 177.584 -0.244 0.000 1.094 559 A CA -0.395 51.329 52.037 -0.523 0.000 0.765 559 A CB 1.402 19.999 19.000 -0.670 0.000 1.268 559 A HN 0.136 nan 8.150 nan 0.000 0.438 560 S N 0.421 116.028 115.700 -0.155 0.000 2.377 560 S HA 0.055 4.525 4.470 -0.000 0.000 0.223 560 S C 0.864 175.340 174.600 -0.206 0.000 1.030 560 S CA 0.966 59.068 58.200 -0.164 0.000 0.970 560 S CB -0.060 63.038 63.200 -0.170 0.000 0.830 560 S HN 0.688 nan 8.310 nan 0.000 0.473 561 R N 0.123 120.492 120.500 -0.219 0.000 2.750 561 R HA 0.717 5.057 4.340 -0.000 0.000 0.281 561 R C -1.636 174.618 176.300 -0.076 0.000 0.972 561 R CA -0.470 55.499 56.100 -0.219 0.000 0.912 561 R CB 2.247 32.274 30.300 -0.455 0.000 1.187 561 R HN -0.024 nan 8.270 nan 0.000 0.464 562 V N 0.570 120.461 119.914 -0.038 0.000 2.971 562 V HA 0.832 4.952 4.120 -0.000 0.000 0.309 562 V C -0.971 175.152 176.094 0.048 0.000 1.130 562 V CA -0.987 61.336 62.300 0.039 0.000 0.964 562 V CB 2.059 33.891 31.823 0.015 0.000 1.029 562 V HN 0.923 nan 8.190 nan 0.000 0.427 563 A N 3.369 126.239 122.820 0.083 0.000 2.414 563 A HA 0.896 5.216 4.320 -0.000 0.000 0.306 563 A C -1.428 176.197 177.584 0.068 0.000 1.054 563 A CA -0.546 51.532 52.037 0.069 0.000 0.724 563 A CB 1.697 20.744 19.000 0.079 0.000 1.267 563 A HN 0.784 nan 8.150 nan 0.000 0.418 564 L N 2.962 124.215 121.223 0.049 0.000 2.325 564 L HA 0.586 4.926 4.340 -0.000 0.000 0.281 564 L C -1.173 175.719 176.870 0.038 0.000 1.004 564 L CA -0.692 54.175 54.840 0.045 0.000 0.823 564 L CB 1.686 43.766 42.059 0.034 0.000 1.236 564 L HN 0.526 nan 8.230 nan 0.000 0.415 565 V N 5.898 125.836 119.914 0.040 0.000 2.513 565 V HA 0.490 4.610 4.120 -0.000 0.000 0.299 565 V C -2.085 174.028 176.094 0.032 0.000 1.035 565 V CA -1.555 60.765 62.300 0.034 0.000 0.889 565 V CB 1.969 33.812 31.823 0.033 0.000 0.988 565 V HN 0.630 nan 8.190 nan 0.000 0.440 566 P HA 0.211 nan 4.420 nan 0.000 0.276 566 P C -0.559 176.759 177.300 0.030 0.000 1.244 566 P CA -0.214 62.904 63.100 0.030 0.000 0.801 566 P CB 1.335 33.054 31.700 0.030 0.000 1.006 567 V N 3.679 123.611 119.914 0.031 0.000 2.415 567 V HA 0.022 4.142 4.120 -0.000 0.000 0.267 567 V C 1.083 177.195 176.094 0.031 0.000 1.042 567 V CA -0.056 62.263 62.300 0.031 0.000 1.000 567 V CB -0.222 31.620 31.823 0.033 0.000 1.015 567 V HN 0.444 nan 8.190 nan 0.000 0.478 568 L N 4.536 125.777 121.223 0.029 0.000 2.380 568 L HA 0.277 4.617 4.340 -0.000 0.000 0.273 568 L C 1.585 178.474 176.870 0.032 0.000 1.138 568 L CA -0.093 54.764 54.840 0.030 0.000 0.832 568 L CB 1.291 43.366 42.059 0.026 0.000 1.124 568 L HN 0.768 nan 8.230 nan 0.000 0.454 569 A N 2.994 125.834 122.820 0.034 0.000 2.216 569 A HA 0.009 4.329 4.320 -0.000 0.000 0.214 569 A C 0.986 178.593 177.584 0.037 0.000 1.160 569 A CA 1.012 53.072 52.037 0.038 0.000 0.725 569 A CB -0.097 18.925 19.000 0.037 0.000 0.784 569 A HN 0.641 nan 8.150 nan 0.000 0.472 570 S N -1.671 114.048 115.700 0.031 0.000 2.806 570 S HA 0.505 4.975 4.470 -0.000 0.000 0.306 570 S C -1.449 173.165 174.600 0.024 0.000 1.167 570 S CA -0.581 57.636 58.200 0.028 0.000 0.847 570 S CB 1.311 64.527 63.200 0.026 0.000 1.216 570 S HN 0.160 nan 8.310 nan 0.000 0.532 571 E N 2.601 122.814 120.200 0.020 0.000 2.089 571 E HA 0.359 4.709 4.350 -0.000 0.000 0.284 571 E C -2.172 174.438 176.600 0.016 0.000 1.023 571 E CA -2.408 54.002 56.400 0.017 0.000 0.819 571 E CB 0.992 30.700 29.700 0.014 0.000 1.076 571 E HN 0.239 nan 8.360 nan 0.000 0.396 572 P HA -0.043 nan 4.420 nan 0.000 0.233 572 P C -0.153 177.154 177.300 0.012 0.000 1.576 572 P CA 0.362 63.471 63.100 0.014 0.000 0.962 572 P CB 0.122 31.830 31.700 0.014 0.000 1.859 573 T N -1.472 113.089 114.554 0.012 0.000 3.033 573 T HA 0.119 4.469 4.350 -0.000 0.000 0.248 573 T C 1.207 175.913 174.700 0.010 0.000 1.040 573 T CA 0.648 62.755 62.100 0.011 0.000 1.133 573 T CB 0.077 68.952 68.868 0.011 0.000 0.895 573 T HN 0.294 nan 8.240 nan 0.000 0.465 574 G N 1.168 109.974 108.800 0.010 0.000 2.425 574 G HA2 0.488 4.448 3.960 -0.000 0.000 0.302 574 G HA3 0.488 4.448 3.960 -0.000 0.000 0.302 574 G C 1.095 176.001 174.900 0.009 0.000 1.159 574 G CA -0.767 44.339 45.100 0.009 0.000 0.865 574 G HN 0.473 nan 8.290 nan 0.000 0.515 575 I N -1.329 119.245 120.570 0.007 0.000 2.700 575 I HA -0.090 4.080 4.170 -0.000 0.000 0.261 575 I C 1.156 177.278 176.117 0.008 0.000 1.219 575 I CA 1.022 62.326 61.300 0.006 0.000 1.463 575 I CB -0.179 37.823 38.000 0.004 0.000 1.092 575 I HN 0.198 nan 8.210 nan 0.000 0.452 576 D N 2.489 122.894 120.400 0.009 0.000 2.081 576 D HA -0.155 4.485 4.640 -0.000 0.000 0.194 576 D C 2.040 178.348 176.300 0.013 0.000 0.986 576 D CA 1.596 55.602 54.000 0.010 0.000 0.837 576 D CB -0.252 40.554 40.800 0.010 0.000 0.985 576 D HN 0.275 nan 8.370 nan 0.000 0.448 577 K N 0.137 120.546 120.400 0.014 0.000 2.362 577 K HA -0.007 4.313 4.320 -0.000 0.000 0.200 577 K C 1.756 178.367 176.600 0.017 0.000 1.046 577 K CA 0.030 56.327 56.287 0.017 0.000 0.952 577 K CB -0.354 32.157 32.500 0.018 0.000 0.753 577 K HN 0.027 nan 8.250 nan 0.000 0.466 578 L N 0.948 122.179 121.223 0.014 0.000 2.109 578 L HA -0.074 4.265 4.340 -0.000 0.000 0.207 578 L C 1.448 178.326 176.870 0.013 0.000 1.086 578 L CA 1.750 56.597 54.840 0.012 0.000 0.760 578 L CB -0.064 42.000 42.059 0.009 0.000 0.910 578 L HN 0.021 nan 8.230 nan 0.000 0.437 579 K N -1.315 119.093 120.400 0.014 0.000 2.228 579 K HA -0.092 4.228 4.320 -0.000 0.000 0.202 579 K C 2.014 178.629 176.600 0.025 0.000 1.051 579 K CA 0.790 57.087 56.287 0.017 0.000 0.960 579 K CB -0.008 32.500 32.500 0.014 0.000 0.743 579 K HN 0.434 nan 8.250 nan 0.000 0.458 580 Q N 0.768 120.583 119.800 0.025 0.000 2.124 580 Q HA -0.086 4.254 4.340 -0.000 0.000 0.202 580 Q C 2.051 178.071 176.000 0.034 0.000 0.977 580 Q CA 0.989 56.811 55.803 0.032 0.000 0.850 580 Q CB -0.060 28.695 28.738 0.029 0.000 0.901 580 Q HN 0.296 nan 8.270 nan 0.000 0.429 581 L N -0.025 121.214 121.223 0.028 0.000 2.079 581 L HA -0.226 4.114 4.340 -0.000 0.000 0.210 581 L C 2.422 179.309 176.870 0.028 0.000 1.081 581 L CA 1.024 55.880 54.840 0.026 0.000 0.752 581 L CB -0.537 41.535 42.059 0.022 0.000 0.896 581 L HN 0.232 nan 8.230 nan 0.000 0.433 582 A N -0.560 122.277 122.820 0.028 0.000 1.969 582 A HA 0.192 4.512 4.320 -0.000 0.000 0.218 582 A C 1.611 179.214 177.584 0.033 0.000 1.169 582 A CA 1.225 53.279 52.037 0.028 0.000 0.635 582 A CB -0.665 18.351 19.000 0.027 0.000 0.810 582 A HN 0.529 nan 8.150 nan 0.000 0.445 583 G N -0.495 108.335 108.800 0.049 0.000 2.512 583 G HA2 -0.144 3.816 3.960 -0.000 0.000 0.254 583 G HA3 -0.144 3.816 3.960 -0.000 0.000 0.254 583 G C -0.064 174.905 174.900 0.114 0.000 1.199 583 G CA 0.381 45.518 45.100 0.062 0.000 0.941 583 G HN 1.790 nan 8.290 nan 0.000 0.569 584 H N -0.326 118.743 119.070 -0.002 0.000 3.012 584 H HA 0.699 5.255 4.556 -0.000 0.000 0.367 584 H C -1.391 173.927 175.328 -0.017 0.000 1.211 584 H CA -0.287 55.741 56.048 -0.033 0.000 1.139 584 H CB 1.645 31.338 29.762 -0.115 0.000 1.838 584 H HN 1.016 nan 8.280 nan 0.000 0.550 585 H N 2.621 121.675 119.070 -0.026 0.000 2.727 585 H HA 0.194 4.750 4.556 -0.000 0.000 0.330 585 H C -0.923 174.414 175.328 0.015 0.000 0.986 585 H CA -0.497 55.538 56.048 -0.023 0.000 1.251 585 H CB 0.878 30.662 29.762 0.037 0.000 1.493 585 H HN 0.654 nan 8.280 nan 0.000 0.515 586 H N 3.533 122.473 119.070 -0.217 0.000 2.803 586 H HA -0.041 4.515 4.556 -0.000 0.000 0.330 586 H C 0.274 175.419 175.328 -0.305 0.000 1.057 586 H CA 0.199 56.166 56.048 -0.135 0.000 1.458 586 H CB 0.539 30.280 29.762 -0.035 0.000 1.470 586 H HN 0.655 nan 8.280 nan 0.000 0.560 587 H N 2.979 122.023 119.070 -0.043 0.000 2.852 587 H HA 0.139 4.695 4.556 -0.000 0.000 0.362 587 H C -0.191 175.137 175.328 0.001 0.000 1.122 587 H CA 0.255 56.270 56.048 -0.056 0.000 1.419 587 H CB 0.296 30.087 29.762 0.049 0.000 1.401 587 H HN 0.865 nan 8.280 nan 0.000 0.609 588 H N 0.222 118.936 119.070 -0.595 0.000 2.932 588 H HA 0.390 4.946 4.556 -0.000 0.000 0.307 588 H C -1.115 174.078 175.328 -0.224 0.000 1.391 588 H CA -0.959 54.826 56.048 -0.438 0.000 1.130 588 H CB 0.565 30.215 29.762 -0.186 0.000 1.836 588 H HN 0.739 nan 8.280 nan 0.000 0.522 589 H N 0.000 119.102 119.070 0.053 0.000 2.539 589 H HA 0.000 4.556 4.556 -0.000 0.000 0.296 589 H CA 0.000 56.093 56.048 0.075 0.000 1.023 589 H CB 0.000 29.778 29.762 0.026 0.000 1.292 589 H HN 0.000 nan 8.280 nan 0.000 0.496