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 2eyq_1_B DATA FIRST_RESID 5 DATA SEQUENCE YRYTLPVKAG EQRLLGELTG AACATLVAEI AERHAGPVVL IAPDMQNALR DATA SEQUENCE LHDEISQFTD QMVMNLADWE TLPYDSFSPH QDIISSRLST LYQLPTMQRG DATA SEQUENCE VLIVPVNTLM QRVCPHSFLH GHALVMKKGQ RLSRDALRTQ LDSAGYRHVD DATA SEQUENCE QVMEHGEYAT RGALLDLFPM GSELPYRLDF FDDEIDSLRV FDVDSQRTLE DATA SEQUENCE EVEAINLLPA HEFPTDKAAI ELFRSQWRDT FEVKRDPEHI YQQVSKGTLP DATA SEQUENCE AGIEYWQPLF FSEPLPPLFS YFPANTLLVN TGDLETSAER FQADTLARFE DATA SEQUENCE NRGVDPMRPL LPPQSLWLRV DELFSELKNW PRVQLKTEHL PTKAANANLG DATA SEQUENCE FQKLPDLAVQ AQQKAPLDAL RKFLETFDGP VVFSVESEGR REALGELLAR DATA SEQUENCE IKIAPQRIMR LDEASDRGRY LMIGAAEHGF VDTVRNLALI CESDLLGERV DATA SEQUENCE ARRRQDSRRT INPDTLIRNL AELHIGQPVV HLEHGVGRYA GMTTLEAGGI DATA SEQUENCE TGEYLMLTYA NDAKLYVPVS SLHLISRYAG GAEENAPLHK LGGDAWSRAR DATA SEQUENCE QKAAEKVRDV AAELLDIYAQ RAAKEGFAFK HDREQYQLFC DSFPFETTPD DATA SEQUENCE QAQAINAVLS DMCQPLAMDR LVCGDVGFGK TEVAMRAAFL AVDNHKQVAV DATA SEQUENCE LVPTTLLAQQ HYDNFRDRFA NWPVRIEMIS RFRSAKEQTQ ILAEVAEGKI DATA SEQUENCE DILIGTHKLL QSDVKFKDLG LLIVDEEHRF GVRHKERIKA MRANVDILTL DATA SEQUENCE TATPIPRTLN MAMSGMRDLS IIATPPARRL AVKTFVREYD SMVVREAILR DATA SEQUENCE EILRGGQVYY LYNDVENIQK AAERLAELVP EARIAIGHGQ MRERELERVM DATA SEQUENCE NDFHHQRFNV LVCTTIIETG IDIPTANTII IERADHFGLA QLHQLRGRVG DATA SEQUENCE RSHHQAYAWL LTPHPKAMTT DAQKRLEAIA SLEDLGAGFA LATHDLEIRG DATA SEQUENCE AGELLGEEQS GSMETIGFSL YMELLENAVD ALKAGREPSL EDLTSQQTEV DATA SEQUENCE ELRMPSLLPD DFIPDVNTRL SFYKRIASAK TENELEEIKV ELIDRFGLLP DATA SEQUENCE DPARTLLDIA RLRQQAQKLG IRKLEGNEKG GVIEFAEKNH VNPAWLIGLL DATA SEQUENCE QKQPQHYRLD GPTRLKFIQD LSERKTRIEW VRQFMRELEE NAI VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 5 Y HA 0.000 nan 4.550 nan 0.000 0.201 5 Y C 0.000 175.927 175.900 0.044 0.000 1.272 5 Y CA 0.000 58.122 58.100 0.036 0.000 1.940 5 Y CB 0.000 38.490 38.460 0.050 0.000 1.050 6 R N 1.157 121.680 120.500 0.038 0.000 2.159 6 R HA -0.108 4.232 4.340 -0.000 0.000 0.249 6 R C 0.689 177.028 176.300 0.065 0.000 1.136 6 R CA 2.645 58.763 56.100 0.030 0.000 0.951 6 R CB -0.768 29.554 30.300 0.037 0.000 0.876 6 R HN 1.620 nan 8.270 nan 0.000 0.440 7 Y N -2.204 118.101 120.300 0.009 0.000 2.534 7 Y HA 0.322 4.871 4.550 -0.000 0.000 0.345 7 Y C 0.998 176.912 175.900 0.023 0.000 1.031 7 Y CA -0.678 57.431 58.100 0.016 0.000 1.022 7 Y CB 2.549 41.020 38.460 0.019 0.000 1.292 7 Y HN 0.170 nan 8.280 nan 0.000 0.459 8 T N 3.322 118.178 114.554 0.503 0.000 2.896 8 T HA 0.454 4.804 4.350 -0.000 0.000 0.238 8 T C 0.031 174.747 174.700 0.027 0.000 1.045 8 T CA 1.350 63.568 62.100 0.196 0.000 1.248 8 T CB -0.123 68.850 68.868 0.175 0.000 0.955 8 T HN 0.809 nan 8.240 nan 0.000 0.416 9 L N -0.174 121.007 121.223 -0.070 0.000 3.217 9 L HA 0.555 4.895 4.340 -0.000 0.000 0.219 9 L C -3.154 173.666 176.870 -0.083 0.000 0.997 9 L CA -1.763 52.970 54.840 -0.178 0.000 1.078 9 L CB -0.176 41.871 42.059 -0.019 0.000 1.451 9 L HN 0.161 nan 8.230 nan 0.000 0.409 10 P HA 0.721 nan 4.420 nan 0.000 0.288 10 P C 0.294 177.621 177.300 0.044 0.000 1.267 10 P CA 0.746 63.843 63.100 -0.005 0.000 0.815 10 P CB 1.721 33.408 31.700 -0.022 0.000 0.989 11 V N -0.423 119.518 119.914 0.044 0.000 3.548 11 V HA 0.366 4.486 4.120 -0.000 0.000 0.279 11 V C 0.917 177.026 176.094 0.025 0.000 1.446 11 V CA 1.107 63.437 62.300 0.049 0.000 1.023 11 V CB -0.468 31.376 31.823 0.035 0.000 0.820 11 V HN 0.693 nan 8.190 nan 0.000 0.438 12 K N 0.333 120.739 120.400 0.010 0.000 2.318 12 K HA 0.893 5.213 4.320 -0.000 0.000 0.249 12 K C 0.230 176.811 176.600 -0.031 0.000 0.942 12 K CA -0.360 55.913 56.287 -0.023 0.000 0.808 12 K CB 1.213 33.698 32.500 -0.024 0.000 1.189 12 K HN 1.690 nan 8.250 nan 0.000 0.428 13 A N 0.507 123.278 122.820 -0.082 0.000 2.515 13 A HA 0.447 4.766 4.320 -0.000 0.000 0.276 13 A C 1.538 179.096 177.584 -0.042 0.000 1.104 13 A CA 1.459 53.440 52.037 -0.094 0.000 0.822 13 A CB -1.494 17.401 19.000 -0.176 0.000 1.016 13 A HN 2.504 nan 8.150 nan 0.000 0.530 14 G N 1.506 110.303 108.800 -0.005 0.000 2.211 14 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.201 14 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.201 14 G C 0.135 175.047 174.900 0.019 0.000 0.997 14 G CA 0.083 45.189 45.100 0.009 0.000 0.652 14 G HN 0.722 nan 8.290 nan 0.000 0.500 15 E N 2.267 122.478 120.200 0.020 0.000 1.774 15 E HA 0.105 4.455 4.350 -0.000 0.000 0.265 15 E C 0.170 176.787 176.600 0.027 0.000 1.207 15 E CA 0.120 56.535 56.400 0.026 0.000 1.054 15 E CB 0.089 29.805 29.700 0.027 0.000 1.074 15 E HN 0.426 nan 8.360 nan 0.000 0.433 16 Q N 2.270 122.089 119.800 0.032 0.000 2.332 16 Q HA 0.197 4.537 4.340 -0.000 0.000 0.263 16 Q C 0.433 176.452 176.000 0.030 0.000 0.979 16 Q CA 0.130 55.952 55.803 0.031 0.000 0.885 16 Q CB 1.086 29.847 28.738 0.038 0.000 1.218 16 Q HN 0.203 nan 8.270 nan 0.000 0.405 17 R N 1.164 121.672 120.500 0.013 0.000 3.112 17 R HA 0.698 5.038 4.340 -0.000 0.000 0.227 17 R C -0.384 175.933 176.300 0.028 0.000 1.519 17 R CA -1.060 55.047 56.100 0.012 0.000 1.051 17 R CB 0.773 31.026 30.300 -0.079 0.000 1.652 17 R HN 0.559 nan 8.270 nan 0.000 0.517 18 L N 0.910 122.158 121.223 0.040 0.000 2.710 18 L HA 0.338 4.677 4.340 -0.000 0.000 0.262 18 L C -0.391 176.511 176.870 0.053 0.000 0.940 18 L CA -0.587 54.278 54.840 0.042 0.000 0.944 18 L CB 1.733 43.823 42.059 0.052 0.000 1.348 18 L HN 0.400 nan 8.230 nan 0.000 0.425 19 L N 1.681 122.923 121.223 0.030 0.000 2.367 19 L HA 0.902 5.241 4.340 -0.000 0.000 0.275 19 L C 0.768 177.668 176.870 0.051 0.000 1.129 19 L CA 0.234 55.099 54.840 0.040 0.000 0.839 19 L CB 0.658 42.718 42.059 0.003 0.000 1.133 19 L HN 0.730 nan 8.230 nan 0.000 0.453 20 G N 0.608 109.456 108.800 0.080 0.000 2.416 20 G HA2 0.706 4.666 3.960 -0.000 0.000 0.329 20 G HA3 0.706 4.666 3.960 -0.000 0.000 0.329 20 G C 0.464 175.422 174.900 0.097 0.000 1.173 20 G CA 0.998 46.142 45.100 0.073 0.000 0.929 20 G HN 2.342 nan 8.290 nan 0.000 0.475 21 E N -2.321 117.923 120.200 0.073 0.000 2.637 21 E HA 0.137 4.487 4.350 -0.000 0.000 0.265 21 E C 0.470 177.144 176.600 0.125 0.000 1.073 21 E CA 1.358 57.812 56.400 0.089 0.000 0.778 21 E CB -2.709 27.044 29.700 0.089 0.000 1.362 21 E HN 2.451 nan 8.360 nan 0.000 0.413 22 L N 0.090 121.342 121.223 0.049 0.000 2.326 22 L HA 0.967 5.307 4.340 -0.000 0.000 0.278 22 L C 0.963 177.771 176.870 -0.104 0.000 1.092 22 L CA 0.370 55.162 54.840 -0.080 0.000 0.810 22 L CB 1.229 43.193 42.059 -0.159 0.000 1.153 22 L HN 1.528 nan 8.230 nan 0.000 0.439 23 T N 0.290 114.744 114.554 -0.167 0.000 3.193 23 T HA 0.807 5.157 4.350 -0.000 0.000 0.332 23 T C 0.381 174.956 174.700 -0.208 0.000 1.208 23 T CA 0.380 62.396 62.100 -0.139 0.000 1.080 23 T CB 0.796 69.629 68.868 -0.058 0.000 1.180 23 T HN 2.874 nan 8.240 nan 0.000 0.469 24 G N 2.473 111.099 108.800 -0.290 0.000 2.527 24 G HA2 0.060 4.020 3.960 -0.000 0.000 0.268 24 G HA3 0.060 4.020 3.960 -0.000 0.000 0.268 24 G C 1.261 176.053 174.900 -0.181 0.000 1.175 24 G CA 0.898 45.709 45.100 -0.481 0.000 0.962 24 G HN 1.976 nan 8.290 nan 0.000 0.560 25 A N -0.162 122.685 122.820 0.044 0.000 1.986 25 A HA 0.194 4.514 4.320 -0.000 0.000 0.220 25 A C 3.107 180.752 177.584 0.101 0.000 1.171 25 A CA 3.716 55.930 52.037 0.294 0.000 0.640 25 A CB -1.260 18.064 19.000 0.539 0.000 0.811 25 A HN 2.543 nan 8.150 nan 0.000 0.451 26 A N -0.659 121.920 122.820 -0.402 0.000 1.883 26 A HA -0.409 3.911 4.320 -0.000 0.000 0.226 26 A C 2.409 179.505 177.584 -0.813 0.000 1.512 26 A CA 2.285 53.469 52.037 -1.422 0.000 0.738 26 A CB -1.760 16.203 19.000 -1.729 0.000 0.848 26 A HN 0.939 nan 8.150 nan 0.000 0.477 27 C N -1.604 117.392 119.300 -0.507 0.000 2.294 27 C HA -0.240 4.220 4.460 -0.000 0.000 0.265 27 C C 3.217 178.123 174.990 -0.141 0.000 1.115 27 C CA 2.466 61.324 59.018 -0.268 0.000 1.809 27 C CB -1.626 26.026 27.740 -0.146 0.000 2.010 27 C HN 0.862 nan 8.230 nan 0.000 0.425 28 A N -1.045 121.772 122.820 -0.005 0.000 1.863 28 A HA -0.235 4.085 4.320 -0.000 0.000 0.218 28 A C 2.458 180.126 177.584 0.141 0.000 1.233 28 A CA 4.161 56.297 52.037 0.166 0.000 0.655 28 A CB -1.814 17.422 19.000 0.393 0.000 0.839 28 A HN 0.868 nan 8.150 nan 0.000 0.454 29 T N -1.148 113.386 114.554 -0.034 0.000 2.751 29 T HA -0.129 4.221 4.350 -0.000 0.000 0.268 29 T C 1.798 176.407 174.700 -0.151 0.000 1.045 29 T CA 2.069 63.936 62.100 -0.388 0.000 1.142 29 T CB -0.434 68.093 68.868 -0.568 0.000 0.851 29 T HN 0.324 nan 8.240 nan 0.000 0.474 30 L N 0.811 121.945 121.223 -0.149 0.000 1.982 30 L HA 0.079 4.419 4.340 -0.000 0.000 0.206 30 L C 2.633 179.485 176.870 -0.029 0.000 1.078 30 L CA 1.169 55.961 54.840 -0.080 0.000 0.749 30 L CB -0.525 41.450 42.059 -0.139 0.000 0.894 30 L HN 0.159 nan 8.230 nan 0.000 0.436 31 V N 0.787 120.684 119.914 -0.028 0.000 3.099 31 V HA -0.264 3.856 4.120 -0.000 0.000 0.269 31 V C 2.517 178.623 176.094 0.021 0.000 1.150 31 V CA 1.184 63.479 62.300 -0.008 0.000 1.165 31 V CB -1.688 30.129 31.823 -0.011 0.000 0.756 31 V HN 0.590 nan 8.190 nan 0.000 0.527 32 A N 1.159 124.006 122.820 0.046 0.000 1.898 32 A HA -0.161 4.159 4.320 -0.000 0.000 0.214 32 A C 2.277 179.893 177.584 0.055 0.000 1.183 32 A CA 1.355 53.440 52.037 0.079 0.000 0.622 32 A CB -0.202 18.879 19.000 0.136 0.000 0.824 32 A HN 0.733 nan 8.150 nan 0.000 0.444 33 E N -0.347 119.876 120.200 0.038 0.000 2.051 33 E HA -0.052 4.298 4.350 -0.000 0.000 0.189 33 E C 1.918 178.541 176.600 0.038 0.000 0.979 33 E CA 0.874 57.298 56.400 0.041 0.000 0.803 33 E CB -0.561 29.162 29.700 0.038 0.000 0.761 33 E HN 0.455 nan 8.360 nan 0.000 0.451 34 I N 0.774 121.356 120.570 0.020 0.000 2.597 34 I HA -0.305 3.865 4.170 -0.000 0.000 0.262 34 I C 2.020 178.149 176.117 0.019 0.000 1.194 34 I CA 1.355 62.660 61.300 0.008 0.000 1.437 34 I CB -0.029 37.956 38.000 -0.024 0.000 1.096 34 I HN 0.350 nan 8.210 nan 0.000 0.451 35 A N -0.351 122.485 122.820 0.027 0.000 1.993 35 A HA 0.002 4.322 4.320 -0.000 0.000 0.207 35 A C 2.025 179.658 177.584 0.083 0.000 1.224 35 A CA 0.340 52.398 52.037 0.035 0.000 0.749 35 A CB -0.202 18.804 19.000 0.011 0.000 0.884 35 A HN 0.454 nan 8.150 nan 0.000 0.467 36 E N -0.147 120.094 120.200 0.068 0.000 2.152 36 E HA -0.061 4.289 4.350 -0.000 0.000 0.192 36 E C 1.940 178.584 176.600 0.074 0.000 0.983 36 E CA 1.003 57.444 56.400 0.067 0.000 0.818 36 E CB -0.161 29.573 29.700 0.058 0.000 0.758 36 E HN 0.502 nan 8.360 nan 0.000 0.467 37 R N 1.619 122.167 120.500 0.080 0.000 2.423 37 R HA 0.034 4.373 4.340 -0.000 0.000 0.248 37 R C 0.123 176.494 176.300 0.117 0.000 1.019 37 R CA 0.365 56.512 56.100 0.078 0.000 1.119 37 R CB -0.885 29.455 30.300 0.066 0.000 1.176 37 R HN 0.178 nan 8.270 nan 0.000 0.526 38 H N -1.194 117.885 119.070 0.015 0.000 2.954 38 H HA 0.602 5.157 4.556 -0.000 0.000 0.361 38 H C -1.712 173.627 175.328 0.018 0.000 1.122 38 H CA -0.296 55.762 56.048 0.016 0.000 1.217 38 H CB 2.090 31.861 29.762 0.014 0.000 1.776 38 H HN 0.142 nan 8.280 nan 0.000 0.533 39 A N 3.496 126.061 122.820 -0.426 0.000 2.506 39 A HA 0.629 4.949 4.320 -0.000 0.000 0.320 39 A C 0.796 178.297 177.584 -0.138 0.000 1.424 39 A CA 0.588 52.508 52.037 -0.195 0.000 1.044 39 A CB -0.600 18.297 19.000 -0.172 0.000 1.140 39 A HN 1.174 nan 8.150 nan 0.000 0.538 40 G N 2.322 111.248 108.800 0.210 0.000 2.278 40 G HA2 0.216 4.176 3.960 -0.000 0.000 0.265 40 G HA3 0.216 4.176 3.960 -0.000 0.000 0.265 40 G C -3.551 171.494 174.900 0.242 0.000 1.329 40 G CA -0.816 44.450 45.100 0.276 0.000 1.017 40 G HN 0.363 nan 8.290 nan 0.000 0.472 41 P HA 0.489 nan 4.420 nan 0.000 0.276 41 P C -0.421 176.803 177.300 -0.127 0.000 1.243 41 P CA -0.182 62.913 63.100 -0.009 0.000 0.768 41 P CB 1.461 33.150 31.700 -0.018 0.000 0.856 42 V N 5.122 124.952 119.914 -0.141 0.000 2.495 42 V HA 0.283 4.403 4.120 -0.000 0.000 0.298 42 V C 0.092 176.117 176.094 -0.115 0.000 1.031 42 V CA -0.576 61.624 62.300 -0.166 0.000 0.871 42 V CB 2.296 34.034 31.823 -0.142 0.000 0.988 42 V HN 0.171 nan 8.190 nan 0.000 0.432 43 V N 6.083 125.948 119.914 -0.081 0.000 2.250 43 V HA 0.289 4.409 4.120 -0.000 0.000 0.268 43 V C -0.139 175.941 176.094 -0.024 0.000 1.043 43 V CA -0.378 61.889 62.300 -0.056 0.000 0.814 43 V CB 1.211 33.040 31.823 0.011 0.000 1.072 43 V HN 0.707 nan 8.190 nan 0.000 0.451 44 L N 6.051 127.251 121.223 -0.037 0.000 2.515 44 L HA 0.342 4.682 4.340 -0.000 0.000 0.281 44 L C 0.044 176.904 176.870 -0.016 0.000 1.131 44 L CA 0.643 55.468 54.840 -0.026 0.000 0.905 44 L CB 0.231 42.274 42.059 -0.027 0.000 1.246 44 L HN 0.651 nan 8.230 nan 0.000 0.463 45 I N 5.157 125.719 120.570 -0.013 0.000 2.312 45 I HA 0.596 4.766 4.170 -0.000 0.000 0.291 45 I C 0.180 176.288 176.117 -0.016 0.000 1.031 45 I CA -0.263 61.027 61.300 -0.016 0.000 1.293 45 I CB 0.911 38.896 38.000 -0.024 0.000 1.403 45 I HN 0.717 nan 8.210 nan 0.000 0.484 46 A N 8.050 130.862 122.820 -0.012 0.000 2.264 46 A HA 0.673 4.993 4.320 -0.000 0.000 0.304 46 A C -2.110 175.467 177.584 -0.013 0.000 1.100 46 A CA -1.537 50.493 52.037 -0.011 0.000 0.839 46 A CB 0.385 19.381 19.000 -0.007 0.000 1.121 46 A HN 0.651 nan 8.150 nan 0.000 0.496 47 P HA 0.005 nan 4.420 nan 0.000 0.213 47 P C -0.196 177.092 177.300 -0.019 0.000 1.170 47 P CA 1.280 64.372 63.100 -0.013 0.000 0.893 47 P CB 0.184 31.874 31.700 -0.017 0.000 0.784 48 D N -3.364 117.017 120.400 -0.032 0.000 2.547 48 D HA 0.235 4.875 4.640 -0.000 0.000 0.231 48 D C 0.729 177.001 176.300 -0.046 0.000 1.099 48 D CA -0.692 53.279 54.000 -0.048 0.000 0.901 48 D CB 1.066 41.826 40.800 -0.067 0.000 1.478 48 D HN -0.256 nan 8.370 nan 0.000 0.471 49 M N 1.091 120.659 119.600 -0.053 0.000 2.147 49 M HA -0.324 4.156 4.480 -0.000 0.000 0.253 49 M C 1.685 177.955 176.300 -0.051 0.000 1.075 49 M CA 2.078 57.350 55.300 -0.046 0.000 1.085 49 M CB -0.236 32.330 32.600 -0.057 0.000 1.305 49 M HN 0.450 nan 8.290 nan 0.000 0.409 50 Q N -0.194 119.564 119.800 -0.069 0.000 1.991 50 Q HA -0.291 4.049 4.340 -0.000 0.000 0.213 50 Q C 1.787 177.750 176.000 -0.062 0.000 1.022 50 Q CA 2.263 58.018 55.803 -0.079 0.000 0.877 50 Q CB -0.874 27.808 28.738 -0.094 0.000 0.970 50 Q HN 0.672 nan 8.270 nan 0.000 0.414 51 N N 0.507 119.177 118.700 -0.050 0.000 2.192 51 N HA -0.200 4.539 4.740 -0.000 0.000 0.188 51 N C 1.662 177.168 175.510 -0.007 0.000 1.013 51 N CA 1.092 54.124 53.050 -0.030 0.000 0.863 51 N CB -0.350 38.122 38.487 -0.026 0.000 0.990 51 N HN 0.298 nan 8.380 nan 0.000 0.430 52 A N 2.226 125.042 122.820 -0.007 0.000 1.862 52 A HA -0.122 4.198 4.320 -0.000 0.000 0.214 52 A C 2.977 180.587 177.584 0.044 0.000 1.228 52 A CA 2.851 54.899 52.037 0.019 0.000 0.665 52 A CB -1.437 17.570 19.000 0.011 0.000 0.845 52 A HN 0.249 nan 8.150 nan 0.000 0.459 53 L N 0.144 121.372 121.223 0.008 0.000 2.034 53 L HA -0.259 4.081 4.340 -0.000 0.000 0.217 53 L C 2.719 179.615 176.870 0.043 0.000 1.077 53 L CA 3.584 58.419 54.840 -0.009 0.000 0.769 53 L CB -1.960 40.068 42.059 -0.053 0.000 0.890 53 L HN 0.718 nan 8.230 nan 0.000 0.435 54 R N -0.625 119.886 120.500 0.019 0.000 2.122 54 R HA -0.194 4.145 4.340 -0.000 0.000 0.236 54 R C 2.412 178.752 176.300 0.066 0.000 1.129 54 R CA 2.353 58.469 56.100 0.027 0.000 0.925 54 R CB -0.570 29.728 30.300 -0.003 0.000 0.850 54 R HN 0.671 nan 8.270 nan 0.000 0.431 55 L N -0.667 120.595 121.223 0.065 0.000 1.989 55 L HA -0.245 4.094 4.340 -0.000 0.000 0.211 55 L C 2.711 179.641 176.870 0.100 0.000 1.071 55 L CA 2.089 56.971 54.840 0.069 0.000 0.749 55 L CB -0.904 41.182 42.059 0.046 0.000 0.890 55 L HN 0.492 nan 8.230 nan 0.000 0.431 56 H N -0.166 118.909 119.070 0.009 0.000 2.362 56 H HA -0.256 4.300 4.556 -0.000 0.000 0.294 56 H C 1.821 177.155 175.328 0.010 0.000 1.113 56 H CA 2.211 58.264 56.048 0.009 0.000 1.253 56 H CB 0.150 29.917 29.762 0.010 0.000 1.363 56 H HN 0.335 nan 8.280 nan 0.000 0.494 57 D N -0.850 119.697 120.400 0.246 0.000 2.240 57 D HA -0.077 4.563 4.640 -0.000 0.000 0.206 57 D C 2.069 178.401 176.300 0.052 0.000 0.963 57 D CA 0.766 54.862 54.000 0.160 0.000 0.863 57 D CB 0.036 40.909 40.800 0.123 0.000 0.973 57 D HN 0.528 nan 8.370 nan 0.000 0.501 58 E N 0.944 121.175 120.200 0.051 0.000 2.047 58 E HA -0.080 4.269 4.350 -0.000 0.000 0.191 58 E C 2.238 178.836 176.600 -0.003 0.000 0.987 58 E CA 0.659 57.073 56.400 0.023 0.000 0.799 58 E CB -0.054 29.698 29.700 0.087 0.000 0.752 58 E HN 0.153 nan 8.360 nan 0.000 0.449 59 I N 0.238 120.837 120.570 0.048 0.000 2.127 59 I HA -0.290 3.880 4.170 -0.000 0.000 0.241 59 I C 2.494 178.623 176.117 0.020 0.000 1.075 59 I CA 1.339 62.683 61.300 0.073 0.000 1.334 59 I CB -0.455 37.564 38.000 0.032 0.000 1.040 59 I HN 0.149 nan 8.210 nan 0.000 0.405 60 S N -0.019 115.659 115.700 -0.037 0.000 2.493 60 S HA -0.268 4.202 4.470 -0.000 0.000 0.243 60 S C 1.943 176.502 174.600 -0.069 0.000 0.991 60 S CA 1.498 59.669 58.200 -0.048 0.000 0.957 60 S CB -0.358 62.811 63.200 -0.052 0.000 0.756 60 S HN 0.463 nan 8.310 nan 0.000 0.521 61 Q N -0.795 118.900 119.800 -0.175 0.000 2.083 61 Q HA -0.035 4.304 4.340 -0.000 0.000 0.198 61 Q C 1.225 177.045 176.000 -0.299 0.000 0.969 61 Q CA 1.521 57.119 55.803 -0.342 0.000 0.838 61 Q CB -0.115 28.213 28.738 -0.683 0.000 0.900 61 Q HN 0.768 nan 8.270 nan 0.000 0.436 62 F N -0.271 119.711 119.950 0.054 0.000 2.698 62 F HA 0.169 4.696 4.527 -0.000 0.000 0.295 62 F C 0.452 176.279 175.800 0.045 0.000 1.124 62 F CA -0.142 57.894 58.000 0.060 0.000 1.426 62 F CB 0.832 39.878 39.000 0.077 0.000 1.120 62 F HN -0.160 nan 8.300 nan 0.000 0.583 63 T N 0.426 115.081 114.554 0.169 0.000 2.807 63 T HA 0.138 4.488 4.350 -0.000 0.000 0.279 63 T C 0.094 174.830 174.700 0.059 0.000 0.993 63 T CA -0.636 61.527 62.100 0.106 0.000 0.970 63 T CB 1.462 70.377 68.868 0.077 0.000 0.950 63 T HN 0.094 nan 8.240 nan 0.000 0.441 64 D N 1.340 121.774 120.400 0.057 0.000 2.340 64 D HA 0.011 4.651 4.640 -0.000 0.000 0.220 64 D C 0.769 177.087 176.300 0.029 0.000 1.039 64 D CA 0.176 54.199 54.000 0.040 0.000 0.866 64 D CB 0.247 41.073 40.800 0.043 0.000 0.913 64 D HN 0.447 nan 8.370 nan 0.000 0.523 65 Q N -0.606 119.210 119.800 0.027 0.000 2.247 65 Q HA 0.327 4.666 4.340 -0.000 0.000 0.184 65 Q C -0.343 175.657 176.000 -0.000 0.000 1.067 65 Q CA -0.828 54.985 55.803 0.017 0.000 1.115 65 Q CB 0.537 29.288 28.738 0.020 0.000 1.147 65 Q HN 0.117 nan 8.270 nan 0.000 0.599 66 M N 0.952 120.548 119.600 -0.007 0.000 2.144 66 M HA 0.218 4.698 4.480 -0.000 0.000 0.356 66 M C -1.498 174.769 176.300 -0.055 0.000 1.217 66 M CA -0.108 55.178 55.300 -0.023 0.000 1.087 66 M CB 0.994 33.587 32.600 -0.011 0.000 1.609 66 M HN 0.214 nan 8.290 nan 0.000 0.467 67 V N 7.183 127.036 119.914 -0.101 0.000 2.376 67 V HA 0.472 4.592 4.120 -0.000 0.000 0.287 67 V C -0.036 175.913 176.094 -0.242 0.000 1.015 67 V CA -0.496 61.694 62.300 -0.182 0.000 0.834 67 V CB 1.201 32.869 31.823 -0.259 0.000 1.001 67 V HN 0.963 nan 8.190 nan 0.000 0.428 68 M N 3.055 122.574 119.600 -0.135 0.000 2.623 68 M HA 0.599 5.079 4.480 -0.000 0.000 0.251 68 M C -0.272 176.071 176.300 0.072 0.000 1.009 68 M CA -0.743 54.546 55.300 -0.020 0.000 1.155 68 M CB 1.294 33.891 32.600 -0.005 0.000 1.428 68 M HN 0.595 nan 8.290 nan 0.000 0.640 69 N N 0.158 118.928 118.700 0.117 0.000 2.554 69 N HA 0.337 5.076 4.740 -0.000 0.000 0.271 69 N C -2.209 173.329 175.510 0.047 0.000 1.081 69 N CA -0.531 52.593 53.050 0.124 0.000 0.994 69 N CB 1.206 39.822 38.487 0.215 0.000 1.641 69 N HN 0.466 nan 8.380 nan 0.000 0.511 70 L N 3.330 124.562 121.223 0.015 0.000 2.325 70 L HA 0.741 5.081 4.340 -0.000 0.000 0.284 70 L C -0.038 176.845 176.870 0.022 0.000 1.089 70 L CA -0.297 54.539 54.840 -0.007 0.000 0.836 70 L CB -0.002 42.032 42.059 -0.040 0.000 1.184 70 L HN 0.669 nan 8.230 nan 0.000 0.444 71 A N 4.004 126.847 122.820 0.038 0.000 2.477 71 A HA 0.262 4.582 4.320 -0.000 0.000 0.246 71 A C -0.090 177.561 177.584 0.112 0.000 1.078 71 A CA -0.249 51.838 52.037 0.082 0.000 0.770 71 A CB -0.159 18.892 19.000 0.085 0.000 1.011 71 A HN 0.814 nan 8.150 nan 0.000 0.494 72 D N 1.454 121.935 120.400 0.136 0.000 2.225 72 D HA 0.268 4.907 4.640 -0.000 0.000 0.249 72 D C 0.523 177.008 176.300 0.309 0.000 1.052 72 D CA -0.463 53.627 54.000 0.150 0.000 0.909 72 D CB 0.359 41.225 40.800 0.111 0.000 1.186 72 D HN 0.510 nan 8.370 nan 0.000 0.431 73 W N 1.627 122.993 121.300 0.109 0.000 2.424 73 W HA -0.044 4.616 4.660 -0.000 0.000 0.264 73 W C 1.041 177.658 176.519 0.164 0.000 1.229 73 W CA 0.785 58.203 57.345 0.121 0.000 1.208 73 W CB -0.902 28.624 29.460 0.109 0.000 1.127 73 W HN 0.723 nan 8.180 nan 0.000 0.588 74 E N -1.866 118.552 120.200 0.363 0.000 3.065 74 E HA -0.216 4.134 4.350 -0.000 0.000 0.277 74 E C 0.174 176.936 176.600 0.270 0.000 1.008 74 E CA 0.977 57.531 56.400 0.257 0.000 0.864 74 E CB -1.144 28.710 29.700 0.258 0.000 1.439 74 E HN 0.085 nan 8.360 nan 0.000 0.445 75 T N -0.217 114.569 114.554 0.387 0.000 2.897 75 T HA 0.566 4.916 4.350 -0.000 0.000 0.278 75 T C -0.196 174.723 174.700 0.364 0.000 0.981 75 T CA -0.768 61.577 62.100 0.409 0.000 0.973 75 T CB 1.359 70.584 68.868 0.594 0.000 1.092 75 T HN 0.024 nan 8.240 nan 0.000 0.543 76 L N 3.189 124.601 121.223 0.315 0.000 2.313 76 L HA 0.423 4.763 4.340 -0.000 0.000 0.283 76 L C -2.275 174.661 176.870 0.111 0.000 1.013 76 L CA -2.483 52.461 54.840 0.173 0.000 0.816 76 L CB 1.078 43.175 42.059 0.064 0.000 1.236 76 L HN 0.341 nan 8.230 nan 0.000 0.419 77 P HA -0.130 nan 4.420 nan 0.000 0.255 77 P C -1.016 176.235 177.300 -0.082 0.000 1.151 77 P CA 0.575 63.627 63.100 -0.079 0.000 0.767 77 P CB -0.280 31.496 31.700 0.127 0.000 0.736 78 Y N -0.755 118.942 120.300 -1.004 0.000 3.380 78 Y HA -0.211 4.339 4.550 -0.000 0.000 0.211 78 Y C 0.804 176.595 175.900 -0.182 0.000 1.394 78 Y CA 0.490 58.295 58.100 -0.492 0.000 1.479 78 Y CB -2.564 35.787 38.460 -0.183 0.000 1.483 78 Y HN 0.373 nan 8.280 nan 0.000 0.566 79 D N -0.668 119.737 120.400 0.009 0.000 2.383 79 D HA 0.383 5.022 4.640 -0.000 0.000 0.248 79 D C 0.727 177.205 176.300 0.297 0.000 1.170 79 D CA -0.035 54.111 54.000 0.243 0.000 0.977 79 D CB 1.504 42.536 40.800 0.387 0.000 1.120 79 D HN 0.138 nan 8.370 nan 0.000 0.481 80 S N 0.081 115.985 115.700 0.339 0.000 2.583 80 S HA 0.232 4.701 4.470 -0.000 0.000 0.239 80 S C -0.824 173.690 174.600 -0.143 0.000 0.966 80 S CA -0.358 57.904 58.200 0.104 0.000 0.973 80 S CB -0.242 62.935 63.200 -0.038 0.000 0.794 80 S HN 0.226 nan 8.310 nan 0.000 0.463 81 F N 0.340 120.419 119.950 0.216 0.000 2.578 81 F HA 0.482 5.009 4.527 -0.000 0.000 0.311 81 F C 0.441 176.355 175.800 0.191 0.000 1.094 81 F CA -0.934 57.206 58.000 0.234 0.000 0.923 81 F CB 1.400 40.595 39.000 0.325 0.000 1.230 81 F HN -0.235 nan 8.300 nan 0.000 0.450 82 S N 2.127 117.992 115.700 0.275 0.000 2.652 82 S HA 0.571 5.040 4.470 -0.000 0.000 0.270 82 S C -2.370 172.278 174.600 0.079 0.000 1.243 82 S CA -1.059 57.185 58.200 0.074 0.000 0.999 82 S CB 1.099 64.306 63.200 0.012 0.000 0.973 82 S HN 0.261 nan 8.310 nan 0.000 0.544 83 P HA 0.140 nan 4.420 nan 0.000 0.272 83 P C -0.803 176.527 177.300 0.051 0.000 1.254 83 P CA -0.178 62.891 63.100 -0.052 0.000 0.795 83 P CB 0.265 31.751 31.700 -0.357 0.000 1.022 84 H N -0.049 119.031 119.070 0.017 0.000 2.580 84 H HA 0.068 4.624 4.556 -0.000 0.000 0.322 84 H C 1.282 176.586 175.328 -0.040 0.000 1.082 84 H CA 0.044 56.096 56.048 0.007 0.000 1.383 84 H CB 0.749 30.529 29.762 0.030 0.000 1.450 84 H HN 0.365 nan 8.280 nan 0.000 0.505 85 Q N 2.486 121.941 119.800 -0.575 0.000 2.103 85 Q HA -0.273 4.067 4.340 -0.000 0.000 0.213 85 Q C 0.950 176.716 176.000 -0.389 0.000 1.008 85 Q CA 2.287 57.806 55.803 -0.473 0.000 0.879 85 Q CB -0.211 28.271 28.738 -0.427 0.000 0.946 85 Q HN 0.649 nan 8.270 nan 0.000 0.413 86 D N -0.064 120.074 120.400 -0.437 0.000 2.351 86 D HA -0.013 4.626 4.640 -0.000 0.000 0.216 86 D C 1.611 177.876 176.300 -0.058 0.000 0.968 86 D CA 0.739 54.732 54.000 -0.012 0.000 0.899 86 D CB 0.011 40.987 40.800 0.292 0.000 0.907 86 D HN 0.380 nan 8.370 nan 0.000 0.514 87 I N -0.151 120.391 120.570 -0.047 0.000 2.385 87 I HA -0.110 4.060 4.170 -0.000 0.000 0.244 87 I C 2.127 178.215 176.117 -0.048 0.000 1.089 87 I CA 0.367 61.668 61.300 0.002 0.000 1.410 87 I CB 0.096 38.164 38.000 0.112 0.000 1.117 87 I HN -0.087 nan 8.210 nan 0.000 0.429 88 I N 0.215 120.720 120.570 -0.109 0.000 2.264 88 I HA -0.334 3.836 4.170 -0.000 0.000 0.248 88 I C 2.560 178.555 176.117 -0.203 0.000 1.111 88 I CA 1.527 62.744 61.300 -0.138 0.000 1.382 88 I CB -0.323 37.543 38.000 -0.224 0.000 1.060 88 I HN 0.193 nan 8.210 nan 0.000 0.418 89 S N -0.910 114.591 115.700 -0.331 0.000 2.561 89 S HA -0.076 4.394 4.470 -0.000 0.000 0.225 89 S C 1.945 176.341 174.600 -0.339 0.000 0.977 89 S CA 1.236 59.150 58.200 -0.476 0.000 0.926 89 S CB -0.143 62.435 63.200 -1.036 0.000 0.769 89 S HN 0.388 nan 8.310 nan 0.000 0.533 90 S N 0.013 115.589 115.700 -0.207 0.000 2.497 90 S HA 0.289 4.759 4.470 -0.000 0.000 0.218 90 S C 1.836 176.390 174.600 -0.076 0.000 1.023 90 S CA -0.228 57.893 58.200 -0.131 0.000 0.913 90 S CB -0.093 63.049 63.200 -0.097 0.000 0.800 90 S HN 0.528 nan 8.310 nan 0.000 0.505 91 R N 0.899 121.365 120.500 -0.057 0.000 2.070 91 R HA 0.091 4.431 4.340 -0.000 0.000 0.227 91 R C 2.108 178.380 176.300 -0.047 0.000 1.147 91 R CA 1.747 57.832 56.100 -0.024 0.000 0.924 91 R CB -0.685 29.637 30.300 0.036 0.000 0.827 91 R HN 0.353 nan 8.270 nan 0.000 0.431 92 L N 0.495 121.683 121.223 -0.057 0.000 2.197 92 L HA -0.219 4.121 4.340 -0.000 0.000 0.215 92 L C 2.474 179.324 176.870 -0.033 0.000 1.095 92 L CA 1.220 56.032 54.840 -0.046 0.000 0.764 92 L CB -0.522 41.486 42.059 -0.086 0.000 0.897 92 L HN 0.273 nan 8.230 nan 0.000 0.436 93 S N -1.423 114.244 115.700 -0.055 0.000 2.527 93 S HA -0.066 4.404 4.470 -0.000 0.000 0.222 93 S C 1.735 176.352 174.600 0.029 0.000 0.985 93 S CA 1.188 59.378 58.200 -0.015 0.000 0.921 93 S CB -0.067 63.108 63.200 -0.042 0.000 0.772 93 S HN 0.431 nan 8.310 nan 0.000 0.529 94 T N 1.689 116.242 114.554 -0.002 0.000 3.033 94 T HA 0.306 4.656 4.350 -0.000 0.000 0.248 94 T C 1.460 176.142 174.700 -0.029 0.000 1.040 94 T CA 0.289 62.378 62.100 -0.019 0.000 1.133 94 T CB -0.100 68.739 68.868 -0.049 0.000 0.895 94 T HN 0.287 nan 8.240 nan 0.000 0.465 95 L N -0.077 121.112 121.223 -0.056 0.000 2.552 95 L HA 0.121 4.461 4.340 -0.000 0.000 0.227 95 L C 1.961 178.909 176.870 0.130 0.000 1.146 95 L CA 0.848 55.590 54.840 -0.163 0.000 0.858 95 L CB -0.333 41.526 42.059 -0.334 0.000 0.969 95 L HN 0.245 nan 8.230 nan 0.000 0.451 96 Y N 0.352 120.684 120.300 0.055 0.000 2.259 96 Y HA -0.106 4.444 4.550 -0.000 0.000 0.285 96 Y C 2.713 178.700 175.900 0.145 0.000 1.130 96 Y CA 1.069 59.262 58.100 0.155 0.000 1.144 96 Y CB -0.160 38.358 38.460 0.097 0.000 1.093 96 Y HN -0.000 nan 8.280 nan 0.000 0.507 97 Q N 0.314 120.257 119.800 0.238 0.000 2.248 97 Q HA -0.216 4.124 4.340 -0.000 0.000 0.208 97 Q C 2.060 178.080 176.000 0.033 0.000 0.984 97 Q CA 1.506 57.369 55.803 0.100 0.000 0.875 97 Q CB -0.362 28.436 28.738 0.099 0.000 0.910 97 Q HN 0.526 nan 8.270 nan 0.000 0.433 98 L N 1.095 122.342 121.223 0.040 0.000 1.997 98 L HA -0.209 4.131 4.340 -0.000 0.000 0.227 98 L C -0.841 176.017 176.870 -0.020 0.000 1.087 98 L CA 2.453 57.286 54.840 -0.011 0.000 0.797 98 L CB -1.690 40.374 42.059 0.009 0.000 0.902 98 L HN 0.151 nan 8.230 nan 0.000 0.441 99 P HA -0.169 nan 4.420 nan 0.000 0.213 99 P C 1.710 178.984 177.300 -0.043 0.000 1.176 99 P CA 2.542 65.612 63.100 -0.050 0.000 0.919 99 P CB -0.241 31.387 31.700 -0.120 0.000 0.791 100 T N -0.622 113.905 114.554 -0.045 0.000 2.665 100 T HA -0.188 4.161 4.350 -0.000 0.000 0.268 100 T C 1.050 175.744 174.700 -0.010 0.000 1.035 100 T CA 0.492 62.576 62.100 -0.027 0.000 1.151 100 T CB -0.923 67.933 68.868 -0.021 0.000 0.862 100 T HN 0.106 nan 8.240 nan 0.000 0.438 101 M N 2.353 121.946 119.600 -0.013 0.000 2.248 101 M HA -0.225 4.255 4.480 -0.000 0.000 0.541 101 M C 1.125 177.427 176.300 0.003 0.000 1.391 101 M CA 0.783 56.076 55.300 -0.012 0.000 0.720 101 M CB 0.240 32.816 32.600 -0.042 0.000 1.916 101 M HN 0.237 nan 8.290 nan 0.000 0.550 102 Q N 3.393 123.200 119.800 0.013 0.000 2.352 102 Q HA 0.213 4.553 4.340 -0.000 0.000 0.212 102 Q C -0.059 175.965 176.000 0.041 0.000 0.888 102 Q CA 0.600 56.419 55.803 0.026 0.000 0.934 102 Q CB 0.684 29.436 28.738 0.022 0.000 1.093 102 Q HN 0.760 nan 8.270 nan 0.000 0.523 103 R N -2.293 118.226 120.500 0.032 0.000 2.753 103 R HA 0.452 4.792 4.340 -0.000 0.000 0.272 103 R C -1.332 174.977 176.300 0.015 0.000 1.034 103 R CA 0.276 56.401 56.100 0.042 0.000 0.869 103 R CB 1.469 31.796 30.300 0.045 0.000 1.264 103 R HN 0.218 nan 8.270 nan 0.000 0.481 104 G N 0.318 109.125 108.800 0.012 0.000 2.462 104 G HA2 0.006 3.966 3.960 -0.000 0.000 0.685 104 G HA3 0.006 3.966 3.960 -0.000 0.000 0.685 104 G C -1.743 173.130 174.900 -0.044 0.000 1.295 104 G CA -0.562 44.529 45.100 -0.015 0.000 0.941 104 G HN 0.471 nan 8.290 nan 0.000 0.554 105 V N 0.090 119.970 119.914 -0.057 0.000 2.630 105 V HA 0.786 4.906 4.120 -0.000 0.000 0.305 105 V C -0.019 176.025 176.094 -0.084 0.000 1.046 105 V CA -0.569 61.686 62.300 -0.074 0.000 0.934 105 V CB 1.622 33.405 31.823 -0.067 0.000 1.003 105 V HN 1.258 nan 8.190 nan 0.000 0.451 106 L N 5.645 126.813 121.223 -0.091 0.000 2.442 106 L HA 0.582 4.922 4.340 -0.000 0.000 0.261 106 L C -0.508 176.323 176.870 -0.065 0.000 1.000 106 L CA 0.111 54.898 54.840 -0.089 0.000 0.882 106 L CB 0.931 42.905 42.059 -0.141 0.000 1.207 106 L HN 0.546 nan 8.230 nan 0.000 0.443 107 I N 5.211 125.764 120.570 -0.027 0.000 2.517 107 I HA 0.236 4.406 4.170 -0.000 0.000 0.285 107 I C -0.355 175.761 176.117 -0.003 0.000 1.106 107 I CA -0.195 61.102 61.300 -0.004 0.000 1.402 107 I CB 0.748 38.769 38.000 0.034 0.000 1.399 107 I HN 0.259 nan 8.210 nan 0.000 0.535 108 V N 8.129 128.036 119.914 -0.012 0.000 2.540 108 V HA 0.379 4.499 4.120 -0.000 0.000 0.302 108 V C -2.339 173.748 176.094 -0.013 0.000 1.035 108 V CA -1.868 60.422 62.300 -0.017 0.000 0.873 108 V CB 1.892 33.698 31.823 -0.029 0.000 0.992 108 V HN 0.555 nan 8.190 nan 0.000 0.428 109 P HA 0.267 nan 4.420 nan 0.000 0.278 109 P C 0.900 178.201 177.300 0.002 0.000 1.238 109 P CA -0.121 62.978 63.100 -0.002 0.000 0.794 109 P CB 1.187 32.889 31.700 0.004 0.000 0.955 110 V N 2.848 122.766 119.914 0.008 0.000 2.215 110 V HA -0.320 3.800 4.120 -0.000 0.000 0.246 110 V C 2.206 178.352 176.094 0.086 0.000 1.047 110 V CA 2.507 64.820 62.300 0.022 0.000 0.999 110 V CB -1.401 30.442 31.823 0.033 0.000 0.635 110 V HN 0.704 nan 8.190 nan 0.000 0.450 111 N N 0.366 119.161 118.700 0.159 0.000 2.187 111 N HA -0.272 4.468 4.740 -0.000 0.000 0.194 111 N C 1.551 177.263 175.510 0.336 0.000 1.002 111 N CA 2.445 55.719 53.050 0.373 0.000 0.882 111 N CB -1.135 37.400 38.487 0.080 0.000 1.003 111 N HN 0.566 nan 8.380 nan 0.000 0.443 112 T N 1.552 116.190 114.554 0.139 0.000 2.698 112 T HA -0.002 4.347 4.350 -0.000 0.000 0.260 112 T C 2.014 176.719 174.700 0.008 0.000 1.044 112 T CA 0.640 62.779 62.100 0.066 0.000 1.149 112 T CB -0.451 68.422 68.868 0.007 0.000 0.864 112 T HN 0.090 nan 8.240 nan 0.000 0.419 113 L N 1.579 122.777 121.223 -0.042 0.000 2.051 113 L HA -0.098 4.242 4.340 -0.000 0.000 0.214 113 L C 2.201 178.996 176.870 -0.124 0.000 1.076 113 L CA 1.851 56.597 54.840 -0.155 0.000 0.758 113 L CB -0.731 41.208 42.059 -0.199 0.000 0.890 113 L HN 0.323 nan 8.230 nan 0.000 0.433 114 M N -1.269 118.331 119.600 -0.000 0.000 2.632 114 M HA -0.121 4.359 4.480 -0.000 0.000 0.256 114 M C 0.803 177.172 176.300 0.115 0.000 1.080 114 M CA 0.589 55.919 55.300 0.049 0.000 1.084 114 M CB -0.585 32.026 32.600 0.019 0.000 1.439 114 M HN 0.354 nan 8.290 nan 0.000 0.509 115 Q N 1.829 121.663 119.800 0.056 0.000 2.279 115 Q HA 0.211 4.551 4.340 -0.000 0.000 0.256 115 Q C -0.521 175.328 176.000 -0.252 0.000 0.937 115 Q CA -0.294 55.411 55.803 -0.163 0.000 0.933 115 Q CB 0.904 29.497 28.738 -0.242 0.000 1.189 115 Q HN 0.272 nan 8.270 nan 0.000 0.417 116 R N 2.233 122.540 120.500 -0.321 0.000 2.489 116 R HA 0.101 4.441 4.340 -0.000 0.000 0.287 116 R C -0.028 176.138 176.300 -0.223 0.000 1.053 116 R CA -0.227 55.743 56.100 -0.218 0.000 1.036 116 R CB 0.570 30.747 30.300 -0.206 0.000 0.966 116 R HN 0.466 nan 8.270 nan 0.000 0.432 117 V N 2.773 122.613 119.914 -0.124 0.000 3.882 117 V HA 0.157 4.277 4.120 -0.000 0.000 0.271 117 V C 0.708 176.750 176.094 -0.087 0.000 1.026 117 V CA -0.557 61.686 62.300 -0.095 0.000 0.841 117 V CB 0.751 32.553 31.823 -0.036 0.000 1.206 117 V HN 0.997 nan 8.190 nan 0.000 0.404 118 C N -1.212 118.065 119.300 -0.039 0.000 2.486 118 C HA 0.749 5.209 4.460 -0.000 0.000 0.348 118 C C -2.678 172.317 174.990 0.009 0.000 1.203 118 C CA -2.526 56.379 59.018 -0.188 0.000 1.911 118 C CB 0.703 28.347 27.740 -0.161 0.000 2.340 118 C HN 0.610 nan 8.230 nan 0.000 0.511 119 P HA 0.112 nan 4.420 nan 0.000 0.268 119 P C 0.003 177.500 177.300 0.327 0.000 1.208 119 P CA 0.443 63.581 63.100 0.063 0.000 0.777 119 P CB 0.200 31.913 31.700 0.020 0.000 0.875 120 H N 0.387 119.558 119.070 0.168 0.000 2.548 120 H HA 0.032 4.588 4.556 -0.000 0.000 0.265 120 H C 1.201 176.674 175.328 0.241 0.000 0.969 120 H CA 0.907 57.077 56.048 0.202 0.000 1.155 120 H CB -0.028 29.690 29.762 -0.074 0.000 1.394 120 H HN 0.233 nan 8.280 nan 0.000 0.570 121 S N -1.245 114.616 115.700 0.268 0.000 2.701 121 S HA -0.020 4.450 4.470 -0.000 0.000 0.220 121 S C 1.073 175.864 174.600 0.318 0.000 0.954 121 S CA -0.078 58.276 58.200 0.257 0.000 0.936 121 S CB -0.568 62.780 63.200 0.246 0.000 0.777 121 S HN 0.462 nan 8.310 nan 0.000 0.518 122 F N -0.385 119.641 119.950 0.127 0.000 2.784 122 F HA 0.460 4.987 4.527 -0.000 0.000 0.316 122 F C 1.081 176.835 175.800 -0.076 0.000 1.026 122 F CA -0.400 57.607 58.000 0.012 0.000 1.188 122 F CB 0.060 39.237 39.000 0.295 0.000 0.999 122 F HN 0.221 nan 8.300 nan 0.000 0.605 123 L N 0.042 121.298 121.223 0.055 0.000 2.121 123 L HA 0.073 4.412 4.340 -0.000 0.000 0.200 123 L C 2.312 179.189 176.870 0.011 0.000 1.077 123 L CA 1.965 56.803 54.840 -0.004 0.000 0.766 123 L CB -0.936 41.214 42.059 0.151 0.000 0.931 123 L HN 0.183 nan 8.230 nan 0.000 0.452 124 H N -0.949 117.974 119.070 -0.245 0.000 2.423 124 H HA 0.021 4.577 4.556 -0.000 0.000 0.297 124 H C 1.981 177.344 175.328 0.058 0.000 1.075 124 H CA 1.455 57.472 56.048 -0.052 0.000 1.342 124 H CB -0.224 29.490 29.762 -0.080 0.000 1.395 124 H HN 0.407 nan 8.280 nan 0.000 0.530 125 G N -1.431 107.429 108.800 0.099 0.000 2.421 125 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.217 125 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.217 125 G C 1.308 176.244 174.900 0.061 0.000 1.143 125 G CA 0.492 45.648 45.100 0.095 0.000 0.784 125 G HN 0.501 nan 8.290 nan 0.000 0.541 126 H N 0.468 119.444 119.070 -0.157 0.000 2.448 126 H HA 0.249 4.805 4.556 -0.000 0.000 0.292 126 H C 1.902 177.124 175.328 -0.177 0.000 1.035 126 H CA 0.163 56.089 56.048 -0.204 0.000 1.349 126 H CB 0.218 29.751 29.762 -0.380 0.000 1.425 126 H HN 0.339 nan 8.280 nan 0.000 0.539 127 A N 2.556 125.350 122.820 -0.044 0.000 2.507 127 A HA 0.126 4.446 4.320 -0.000 0.000 0.281 127 A C 0.225 177.752 177.584 -0.095 0.000 1.154 127 A CA 0.341 52.317 52.037 -0.102 0.000 0.828 127 A CB -0.852 18.085 19.000 -0.104 0.000 1.069 127 A HN 0.260 nan 8.150 nan 0.000 0.522 128 L N 3.420 124.580 121.223 -0.104 0.000 2.325 128 L HA 0.500 4.839 4.340 -0.000 0.000 0.279 128 L C -0.114 176.699 176.870 -0.095 0.000 1.054 128 L CA -0.699 54.083 54.840 -0.098 0.000 0.804 128 L CB 1.554 43.549 42.059 -0.106 0.000 1.200 128 L HN 0.412 nan 8.230 nan 0.000 0.436 129 V N 2.976 122.842 119.914 -0.079 0.000 2.881 129 V HA 0.551 4.671 4.120 -0.000 0.000 0.316 129 V C -0.103 175.943 176.094 -0.079 0.000 1.070 129 V CA -0.662 61.591 62.300 -0.078 0.000 0.976 129 V CB 2.085 33.875 31.823 -0.056 0.000 1.038 129 V HN 0.702 nan 8.190 nan 0.000 0.446 130 M N 2.904 122.450 119.600 -0.091 0.000 2.183 130 M HA 0.490 4.970 4.480 -0.000 0.000 0.277 130 M C -0.882 175.361 176.300 -0.095 0.000 0.995 130 M CA -0.425 54.824 55.300 -0.086 0.000 0.969 130 M CB 2.289 34.835 32.600 -0.090 0.000 1.659 130 M HN 0.549 nan 8.290 nan 0.000 0.462 131 K N 0.834 121.189 120.400 -0.075 0.000 2.211 131 K HA 0.430 4.750 4.320 -0.000 0.000 0.237 131 K C 0.621 177.176 176.600 -0.075 0.000 1.002 131 K CA -0.846 55.398 56.287 -0.071 0.000 0.885 131 K CB 1.771 34.241 32.500 -0.050 0.000 1.136 131 K HN 0.389 nan 8.250 nan 0.000 0.448 132 K N 0.943 121.303 120.400 -0.066 0.000 2.071 132 K HA -0.197 4.123 4.320 -0.000 0.000 0.217 132 K C 1.235 177.797 176.600 -0.063 0.000 1.054 132 K CA 2.309 58.558 56.287 -0.063 0.000 0.937 132 K CB -0.666 31.809 32.500 -0.042 0.000 0.719 132 K HN 0.788 nan 8.250 nan 0.000 0.454 133 G N 0.459 109.232 108.800 -0.046 0.000 3.605 133 G HA2 0.058 4.018 3.960 -0.000 0.000 0.277 133 G HA3 0.058 4.018 3.960 -0.000 0.000 0.277 133 G C -0.337 174.543 174.900 -0.033 0.000 1.093 133 G CA -0.456 44.622 45.100 -0.037 0.000 0.821 133 G HN 0.237 nan 8.290 nan 0.000 0.532 134 Q N 0.086 119.862 119.800 -0.040 0.000 2.624 134 Q HA 0.097 4.437 4.340 -0.000 0.000 0.256 134 Q C 0.062 176.060 176.000 -0.003 0.000 1.119 134 Q CA 0.635 56.425 55.803 -0.023 0.000 0.995 134 Q CB 0.622 29.346 28.738 -0.024 0.000 1.318 134 Q HN 0.228 nan 8.270 nan 0.000 0.534 135 R N 1.389 121.894 120.500 0.010 0.000 2.835 135 R HA 0.366 4.706 4.340 -0.000 0.000 0.290 135 R C -0.765 175.560 176.300 0.041 0.000 1.410 135 R CA -0.179 55.934 56.100 0.023 0.000 1.590 135 R CB 0.263 30.562 30.300 -0.001 0.000 1.288 135 R HN 0.370 nan 8.270 nan 0.000 0.637 136 L N 1.590 122.875 121.223 0.103 0.000 2.295 136 L HA 0.363 4.703 4.340 -0.000 0.000 0.285 136 L C 0.538 177.469 176.870 0.102 0.000 1.035 136 L CA -0.548 54.351 54.840 0.098 0.000 0.806 136 L CB 1.969 44.105 42.059 0.129 0.000 1.214 136 L HN 0.381 nan 8.230 nan 0.000 0.426 137 S N 2.554 118.228 115.700 -0.045 0.000 2.592 137 S HA 0.214 4.684 4.470 -0.000 0.000 0.271 137 S C 1.021 175.377 174.600 -0.407 0.000 1.326 137 S CA -0.750 57.354 58.200 -0.160 0.000 1.024 137 S CB 1.652 64.774 63.200 -0.129 0.000 0.921 137 S HN 0.627 nan 8.310 nan 0.000 0.527 138 R N 1.042 121.090 120.500 -0.754 0.000 2.103 138 R HA -0.162 4.178 4.340 -0.000 0.000 0.242 138 R C 0.816 176.818 176.300 -0.496 0.000 1.142 138 R CA 1.933 57.397 56.100 -1.059 0.000 0.960 138 R CB -0.850 28.925 30.300 -0.875 0.000 0.858 138 R HN 0.786 nan 8.270 nan 0.000 0.439 139 D N -0.494 119.714 120.400 -0.320 0.000 2.277 139 D HA -0.009 4.631 4.640 -0.000 0.000 0.208 139 D C 1.525 177.714 176.300 -0.185 0.000 0.962 139 D CA 0.910 54.781 54.000 -0.214 0.000 0.865 139 D CB 0.240 40.952 40.800 -0.148 0.000 0.939 139 D HN 0.303 nan 8.370 nan 0.000 0.510 140 A N 0.994 123.709 122.820 -0.176 0.000 1.897 140 A HA -0.103 4.217 4.320 -0.000 0.000 0.215 140 A C 2.094 179.588 177.584 -0.149 0.000 1.181 140 A CA 0.649 52.606 52.037 -0.133 0.000 0.620 140 A CB -0.461 18.479 19.000 -0.101 0.000 0.821 140 A HN 0.222 nan 8.150 nan 0.000 0.443 141 L N 0.032 121.153 121.223 -0.169 0.000 2.141 141 L HA -0.043 4.297 4.340 -0.000 0.000 0.209 141 L C 2.316 179.026 176.870 -0.268 0.000 1.094 141 L CA 2.062 56.799 54.840 -0.171 0.000 0.763 141 L CB -0.664 41.339 42.059 -0.095 0.000 0.908 141 L HN 0.450 nan 8.230 nan 0.000 0.437 142 R N -1.008 119.310 120.500 -0.304 0.000 2.091 142 R HA -0.164 4.175 4.340 -0.000 0.000 0.238 142 R C 1.933 178.027 176.300 -0.343 0.000 1.136 142 R CA 2.078 57.929 56.100 -0.416 0.000 0.959 142 R CB -0.518 29.603 30.300 -0.297 0.000 0.856 142 R HN 0.413 nan 8.270 nan 0.000 0.437 143 T N 1.110 115.536 114.554 -0.214 0.000 2.770 143 T HA -0.091 4.259 4.350 -0.000 0.000 0.263 143 T C 1.765 176.382 174.700 -0.138 0.000 1.039 143 T CA 1.131 63.145 62.100 -0.142 0.000 1.142 143 T CB -0.110 68.697 68.868 -0.101 0.000 0.868 143 T HN 0.383 nan 8.240 nan 0.000 0.435 144 Q N 0.338 120.047 119.800 -0.151 0.000 2.268 144 Q HA -0.120 4.220 4.340 -0.000 0.000 0.210 144 Q C 2.239 178.150 176.000 -0.149 0.000 0.988 144 Q CA 1.160 56.880 55.803 -0.138 0.000 0.883 144 Q CB -0.379 28.273 28.738 -0.144 0.000 0.911 144 Q HN 0.501 nan 8.270 nan 0.000 0.430 145 L N -0.024 121.061 121.223 -0.230 0.000 2.127 145 L HA -0.128 4.212 4.340 -0.000 0.000 0.203 145 L C 1.724 178.575 176.870 -0.031 0.000 1.080 145 L CA 0.666 55.354 54.840 -0.252 0.000 0.768 145 L CB -0.223 41.492 42.059 -0.572 0.000 0.924 145 L HN 0.061 nan 8.230 nan 0.000 0.444 146 D N -0.328 120.045 120.400 -0.045 0.000 2.221 146 D HA -0.152 4.488 4.640 -0.000 0.000 0.204 146 D C 2.321 178.669 176.300 0.079 0.000 0.982 146 D CA 1.154 55.201 54.000 0.080 0.000 0.857 146 D CB 0.079 40.906 40.800 0.045 0.000 0.934 146 D HN 0.133 nan 8.370 nan 0.000 0.475 147 S N -0.159 115.563 115.700 0.035 0.000 2.371 147 S HA 0.025 4.495 4.470 -0.000 0.000 0.221 147 S C 1.963 176.611 174.600 0.080 0.000 1.036 147 S CA 0.678 58.903 58.200 0.041 0.000 0.965 147 S CB -0.083 63.115 63.200 -0.003 0.000 0.845 147 S HN 0.336 nan 8.310 nan 0.000 0.475 148 A N 0.726 123.600 122.820 0.092 0.000 2.259 148 A HA 0.333 4.652 4.320 -0.000 0.000 0.212 148 A C 1.697 179.406 177.584 0.208 0.000 1.178 148 A CA 1.042 53.178 52.037 0.165 0.000 0.734 148 A CB -1.264 17.862 19.000 0.210 0.000 0.774 148 A HN 0.968 nan 8.150 nan 0.000 0.481 149 G N -2.803 106.106 108.800 0.183 0.000 2.155 149 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.257 149 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.257 149 G C 0.079 175.053 174.900 0.124 0.000 0.983 149 G CA 0.453 45.638 45.100 0.141 0.000 0.676 149 G HN 0.455 nan 8.290 nan 0.000 0.528 150 Y N 0.142 120.481 120.300 0.064 0.000 2.335 150 Y HA 0.523 5.073 4.550 -0.000 0.000 0.348 150 Y C 1.597 177.604 175.900 0.179 0.000 1.280 150 Y CA -0.112 58.057 58.100 0.115 0.000 1.504 150 Y CB 0.462 39.055 38.460 0.222 0.000 1.366 150 Y HN 0.170 nan 8.280 nan 0.000 0.621 151 R N 0.541 121.205 120.500 0.274 0.000 2.460 151 R HA 0.203 4.543 4.340 -0.000 0.000 0.303 151 R C -0.901 175.352 176.300 -0.077 0.000 0.968 151 R CA -0.766 55.407 56.100 0.120 0.000 0.889 151 R CB 0.933 31.258 30.300 0.042 0.000 1.123 151 R HN 0.713 nan 8.270 nan 0.000 0.455 152 H N 3.024 121.887 119.070 -0.345 0.000 2.742 152 H HA 0.274 4.830 4.556 -0.000 0.000 0.302 152 H C -0.687 174.420 175.328 -0.368 0.000 1.069 152 H CA -0.448 55.155 56.048 -0.741 0.000 1.446 152 H CB 0.614 30.130 29.762 -0.409 0.000 1.462 152 H HN 0.183 nan 8.280 nan 0.000 0.499 153 V N 3.900 123.569 119.914 -0.409 0.000 3.155 153 V HA -0.002 4.118 4.120 -0.000 0.000 0.313 153 V C 0.764 176.683 176.094 -0.291 0.000 1.162 153 V CA -0.578 61.548 62.300 -0.290 0.000 1.048 153 V CB 1.916 33.666 31.823 -0.123 0.000 1.092 153 V HN 0.849 nan 8.190 nan 0.000 0.447 154 D N -0.280 120.010 120.400 -0.183 0.000 2.162 154 D HA -0.006 4.634 4.640 -0.000 0.000 0.205 154 D C 0.655 176.919 176.300 -0.061 0.000 0.964 154 D CA 0.939 54.867 54.000 -0.120 0.000 0.847 154 D CB 0.472 41.225 40.800 -0.078 0.000 0.988 154 D HN 0.553 nan 8.370 nan 0.000 0.480 155 Q N 0.054 119.826 119.800 -0.047 0.000 2.347 155 Q HA 0.452 4.792 4.340 -0.000 0.000 0.271 155 Q C -1.717 174.286 176.000 0.005 0.000 1.064 155 Q CA -0.936 54.848 55.803 -0.031 0.000 0.800 155 Q CB 2.330 31.056 28.738 -0.020 0.000 1.304 155 Q HN -0.058 nan 8.270 nan 0.000 0.438 156 V N 5.448 125.389 119.914 0.045 0.000 2.432 156 V HA 0.156 4.276 4.120 -0.000 0.000 0.271 156 V C 0.384 176.551 176.094 0.122 0.000 1.046 156 V CA 0.073 62.451 62.300 0.130 0.000 0.945 156 V CB 1.261 33.238 31.823 0.258 0.000 0.992 156 V HN 0.924 nan 8.190 nan 0.000 0.471 157 M N 2.605 122.268 119.600 0.105 0.000 2.447 157 M HA 0.365 4.845 4.480 -0.000 0.000 0.255 157 M C 0.549 176.931 176.300 0.136 0.000 1.289 157 M CA 0.590 55.937 55.300 0.078 0.000 1.128 157 M CB 0.334 32.965 32.600 0.050 0.000 1.540 157 M HN 0.606 nan 8.290 nan 0.000 0.557 158 E N -0.645 119.677 120.200 0.204 0.000 2.355 158 E HA 0.390 4.740 4.350 -0.000 0.000 0.261 158 E C -0.990 175.784 176.600 0.290 0.000 0.943 158 E CA -0.756 55.768 56.400 0.207 0.000 0.806 158 E CB 1.231 30.956 29.700 0.041 0.000 1.286 158 E HN 0.204 nan 8.360 nan 0.000 0.424 159 H N -0.522 118.402 119.070 -0.243 0.000 2.871 159 H HA 0.216 4.772 4.556 -0.000 0.000 0.355 159 H C 1.130 176.311 175.328 -0.245 0.000 1.092 159 H CA 1.444 57.115 56.048 -0.629 0.000 1.420 159 H CB 0.600 29.911 29.762 -0.751 0.000 1.400 159 H HN 0.836 nan 8.280 nan 0.000 0.604 160 G N 1.738 110.533 108.800 -0.009 0.000 2.162 160 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.260 160 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.260 160 G C -0.044 174.960 174.900 0.174 0.000 0.976 160 G CA 0.258 45.228 45.100 -0.218 0.000 0.655 160 G HN 0.635 nan 8.290 nan 0.000 0.533 161 E N -0.814 119.584 120.200 0.330 0.000 2.221 161 E HA 0.671 5.021 4.350 -0.000 0.000 0.268 161 E C -0.646 176.198 176.600 0.406 0.000 0.933 161 E CA -1.014 55.556 56.400 0.284 0.000 0.809 161 E CB 1.648 31.450 29.700 0.170 0.000 1.190 161 E HN 0.646 nan 8.360 nan 0.000 0.406 162 Y N -1.157 119.293 120.300 0.249 0.000 2.441 162 Y HA 0.699 5.248 4.550 -0.000 0.000 0.334 162 Y C -1.672 174.359 175.900 0.218 0.000 1.061 162 Y CA -1.152 57.071 58.100 0.204 0.000 1.032 162 Y CB 0.925 39.459 38.460 0.124 0.000 1.266 162 Y HN 0.535 nan 8.280 nan 0.000 0.441 163 A N 2.752 125.728 122.820 0.261 0.000 2.340 163 A HA 0.803 5.123 4.320 -0.000 0.000 0.331 163 A C -0.796 176.958 177.584 0.284 0.000 1.140 163 A CA -0.787 51.350 52.037 0.166 0.000 0.801 163 A CB 1.623 20.653 19.000 0.051 0.000 1.234 163 A HN 0.842 nan 8.150 nan 0.000 0.469 164 T N 1.618 116.351 114.554 0.298 0.000 2.841 164 T HA 0.688 5.038 4.350 -0.000 0.000 0.285 164 T C -1.033 173.767 174.700 0.166 0.000 0.991 164 T CA -0.580 61.671 62.100 0.252 0.000 0.966 164 T CB 0.317 69.358 68.868 0.288 0.000 0.962 164 T HN 0.876 nan 8.240 nan 0.000 0.438 165 R N 2.831 123.397 120.500 0.110 0.000 2.633 165 R HA 0.588 4.928 4.340 -0.000 0.000 0.256 165 R C 0.221 176.572 176.300 0.086 0.000 1.131 165 R CA -0.674 55.480 56.100 0.090 0.000 0.994 165 R CB 0.310 30.661 30.300 0.085 0.000 1.261 165 R HN 0.994 nan 8.270 nan 0.000 0.446 166 G N 1.668 110.527 108.800 0.099 0.000 2.569 166 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.259 166 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.259 166 G C 0.560 175.528 174.900 0.114 0.000 1.263 166 G CA 0.336 45.505 45.100 0.115 0.000 0.928 166 G HN 1.250 nan 8.290 nan 0.000 0.572 167 A N -0.885 122.018 122.820 0.139 0.000 2.276 167 A HA 0.604 4.924 4.320 -0.000 0.000 0.212 167 A C 0.733 178.474 177.584 0.261 0.000 1.230 167 A CA 0.923 53.081 52.037 0.201 0.000 0.844 167 A CB -0.193 18.934 19.000 0.211 0.000 0.860 167 A HN 0.861 nan 8.150 nan 0.000 0.486 168 L N -0.125 121.200 121.223 0.169 0.000 2.334 168 L HA 0.513 4.852 4.340 -0.000 0.000 0.275 168 L C -0.309 176.667 176.870 0.175 0.000 1.036 168 L CA -0.156 54.771 54.840 0.146 0.000 0.807 168 L CB 1.813 43.880 42.059 0.013 0.000 1.231 168 L HN 0.181 nan 8.230 nan 0.000 0.438 169 L N 3.282 124.629 121.223 0.205 0.000 2.504 169 L HA 0.417 4.757 4.340 -0.000 0.000 0.265 169 L C -1.455 175.531 176.870 0.194 0.000 0.975 169 L CA -0.352 54.619 54.840 0.219 0.000 0.864 169 L CB 1.461 43.709 42.059 0.315 0.000 1.212 169 L HN 0.542 nan 8.230 nan 0.000 0.416 170 D N 4.238 124.745 120.400 0.178 0.000 2.256 170 D HA 0.573 5.213 4.640 -0.000 0.000 0.250 170 D C -0.481 176.012 176.300 0.322 0.000 1.093 170 D CA 0.164 54.306 54.000 0.237 0.000 0.882 170 D CB 2.500 43.362 40.800 0.104 0.000 1.185 170 D HN 0.451 nan 8.370 nan 0.000 0.437 171 L N 2.059 123.494 121.223 0.354 0.000 2.482 171 L HA 0.475 4.815 4.340 -0.000 0.000 0.263 171 L C -1.972 175.102 176.870 0.341 0.000 0.957 171 L CA -0.632 54.399 54.840 0.319 0.000 0.836 171 L CB 1.972 44.151 42.059 0.200 0.000 1.324 171 L HN 0.350 nan 8.230 nan 0.000 0.406 172 F N 6.985 127.065 119.950 0.215 0.000 2.366 172 F HA 0.473 5.000 4.527 -0.000 0.000 0.357 172 F C -2.115 173.888 175.800 0.338 0.000 1.107 172 F CA -2.342 55.763 58.000 0.176 0.000 1.208 172 F CB 1.370 40.418 39.000 0.079 0.000 1.464 172 F HN 0.386 nan 8.300 nan 0.000 0.501 173 P HA -0.089 nan 4.420 nan 0.000 0.267 173 P C 0.661 178.064 177.300 0.171 0.000 1.209 173 P CA -0.162 63.161 63.100 0.372 0.000 0.763 173 P CB 0.945 32.786 31.700 0.236 0.000 0.816 174 M N 2.971 122.592 119.600 0.034 0.000 2.331 174 M HA -0.120 4.360 4.480 -0.000 0.000 0.260 174 M C 2.108 178.239 176.300 -0.282 0.000 1.072 174 M CA 1.767 56.890 55.300 -0.295 0.000 1.065 174 M CB -2.132 30.283 32.600 -0.308 0.000 1.392 174 M HN 0.497 nan 8.290 nan 0.000 0.427 175 G N 0.407 109.134 108.800 -0.122 0.000 2.524 175 G HA2 -0.128 3.831 3.960 -0.000 0.000 0.215 175 G HA3 -0.128 3.831 3.960 -0.000 0.000 0.215 175 G C 0.893 175.759 174.900 -0.056 0.000 1.239 175 G CA 0.931 45.962 45.100 -0.115 0.000 0.798 175 G HN 0.580 nan 8.290 nan 0.000 0.557 176 S N 0.253 116.000 115.700 0.079 0.000 2.634 176 S HA 0.273 4.743 4.470 -0.000 0.000 0.261 176 S C 0.909 175.653 174.600 0.240 0.000 1.271 176 S CA 0.495 58.801 58.200 0.177 0.000 0.985 176 S CB 1.360 64.768 63.200 0.347 0.000 0.968 176 S HN 0.640 nan 8.310 nan 0.000 0.568 177 E N -0.405 119.945 120.200 0.250 0.000 2.481 177 E HA 0.352 4.702 4.350 -0.000 0.000 0.198 177 E C -0.233 176.584 176.600 0.361 0.000 1.027 177 E CA -0.211 56.377 56.400 0.314 0.000 0.900 177 E CB -0.139 29.653 29.700 0.153 0.000 0.993 177 E HN 0.478 nan 8.360 nan 0.000 0.482 178 L N 1.938 123.325 121.223 0.273 0.000 2.401 178 L HA 0.501 4.841 4.340 -0.000 0.000 0.266 178 L C -2.589 174.006 176.870 -0.458 0.000 0.991 178 L CA -2.710 52.036 54.840 -0.157 0.000 0.818 178 L CB 2.827 44.695 42.059 -0.319 0.000 1.321 178 L HN -0.095 nan 8.230 nan 0.000 0.413 179 P HA 0.295 nan 4.420 nan 0.000 0.284 179 P C -1.798 174.787 177.300 -1.192 0.000 1.258 179 P CA -0.351 62.063 63.100 -1.143 0.000 0.824 179 P CB 1.151 31.737 31.700 -1.855 0.000 1.038 180 Y N -0.470 119.691 120.300 -0.232 0.000 2.524 180 Y HA 0.540 5.090 4.550 -0.000 0.000 0.344 180 Y C 0.947 176.989 175.900 0.237 0.000 1.012 180 Y CA -0.829 57.269 58.100 -0.003 0.000 1.068 180 Y CB 2.247 40.711 38.460 0.007 0.000 1.249 180 Y HN 0.214 nan 8.280 nan 0.000 0.468 181 R N 2.653 123.390 120.500 0.395 0.000 2.387 181 R HA 0.637 4.977 4.340 -0.000 0.000 0.314 181 R C -1.847 174.530 176.300 0.128 0.000 0.958 181 R CA -0.546 55.702 56.100 0.246 0.000 0.846 181 R CB 0.725 31.097 30.300 0.120 0.000 1.147 181 R HN 0.752 nan 8.270 nan 0.000 0.447 182 L N 3.358 124.633 121.223 0.087 0.000 2.313 182 L HA 0.347 4.686 4.340 -0.000 0.000 0.283 182 L C -0.353 176.468 176.870 -0.082 0.000 1.013 182 L CA -0.766 54.049 54.840 -0.042 0.000 0.816 182 L CB 1.768 43.792 42.059 -0.057 0.000 1.236 182 L HN 0.495 nan 8.230 nan 0.000 0.419 183 D N 2.681 122.973 120.400 -0.181 0.000 2.233 183 D HA 0.374 5.014 4.640 -0.000 0.000 0.240 183 D C -1.119 175.035 176.300 -0.244 0.000 1.074 183 D CA -0.117 53.823 54.000 -0.100 0.000 0.838 183 D CB 1.158 41.926 40.800 -0.053 0.000 1.124 183 D HN 0.067 nan 8.370 nan 0.000 0.475 184 F N 2.973 122.968 119.950 0.075 0.000 2.450 184 F HA 0.544 5.071 4.527 -0.000 0.000 0.332 184 F C -0.198 175.730 175.800 0.213 0.000 1.093 184 F CA -0.919 57.142 58.000 0.103 0.000 1.003 184 F CB 1.504 40.542 39.000 0.062 0.000 1.151 184 F HN 0.147 nan 8.300 nan 0.000 0.474 185 F N 3.555 123.612 119.950 0.178 0.000 2.749 185 F HA 0.255 4.782 4.527 -0.000 0.000 0.339 185 F C -0.370 175.485 175.800 0.090 0.000 1.211 185 F CA -1.341 56.722 58.000 0.105 0.000 1.099 185 F CB 0.828 39.859 39.000 0.051 0.000 1.359 185 F HN 0.599 nan 8.300 nan 0.000 0.549 186 D N 4.303 124.491 120.400 -0.353 0.000 2.835 186 D HA -0.201 4.439 4.640 -0.000 0.000 0.230 186 D C -0.465 175.758 176.300 -0.128 0.000 1.130 186 D CA 1.710 55.483 54.000 -0.379 0.000 0.738 186 D CB -0.852 39.552 40.800 -0.660 0.000 1.090 186 D HN 0.877 nan 8.370 nan 0.000 0.433 187 D N 0.546 120.953 120.400 0.011 0.000 2.904 187 D HA -0.193 4.447 4.640 -0.000 0.000 0.231 187 D C -0.075 176.286 176.300 0.101 0.000 1.185 187 D CA 1.574 55.618 54.000 0.074 0.000 0.783 187 D CB -0.515 40.282 40.800 -0.005 0.000 0.961 187 D HN 0.610 nan 8.370 nan 0.000 0.409 188 E N -0.057 120.257 120.200 0.189 0.000 2.597 188 E HA 0.206 4.555 4.350 -0.000 0.000 0.310 188 E C -0.658 175.934 176.600 -0.013 0.000 0.970 188 E CA -0.815 55.633 56.400 0.080 0.000 0.819 188 E CB 1.100 30.797 29.700 -0.005 0.000 1.267 188 E HN 0.012 nan 8.360 nan 0.000 0.411 189 I N 3.249 123.725 120.570 -0.158 0.000 2.741 189 I HA -0.095 4.075 4.170 -0.000 0.000 0.288 189 I C 1.248 177.246 176.117 -0.197 0.000 1.192 189 I CA 1.034 62.084 61.300 -0.416 0.000 1.426 189 I CB 0.393 38.190 38.000 -0.339 0.000 1.367 189 I HN 0.564 nan 8.210 nan 0.000 0.563 190 D N 3.172 123.466 120.400 -0.177 0.000 2.338 190 D HA 0.078 4.718 4.640 -0.000 0.000 0.208 190 D C -0.193 176.071 176.300 -0.059 0.000 0.997 190 D CA 0.665 54.639 54.000 -0.043 0.000 0.880 190 D CB 0.508 41.340 40.800 0.053 0.000 0.980 190 D HN 0.533 nan 8.370 nan 0.000 0.509 191 S N -0.710 114.926 115.700 -0.107 0.000 2.558 191 S HA 0.467 4.937 4.470 -0.000 0.000 0.277 191 S C -1.711 172.839 174.600 -0.083 0.000 1.143 191 S CA -1.118 57.039 58.200 -0.072 0.000 0.865 191 S CB 1.409 64.585 63.200 -0.039 0.000 1.102 191 S HN 0.157 nan 8.310 nan 0.000 0.454 192 L N 1.587 122.785 121.223 -0.041 0.000 2.372 192 L HA 0.725 5.065 4.340 -0.000 0.000 0.274 192 L C -0.757 176.158 176.870 0.076 0.000 0.988 192 L CA -0.251 54.587 54.840 -0.004 0.000 0.833 192 L CB 1.322 43.352 42.059 -0.049 0.000 1.236 192 L HN 0.876 nan 8.230 nan 0.000 0.410 193 R N 3.274 123.849 120.500 0.126 0.000 2.740 193 R HA 0.754 5.094 4.340 -0.000 0.000 0.282 193 R C -1.149 175.267 176.300 0.193 0.000 0.969 193 R CA -1.072 55.114 56.100 0.144 0.000 0.918 193 R CB 2.436 32.784 30.300 0.080 0.000 1.175 193 R HN 0.429 nan 8.270 nan 0.000 0.464 194 V N 3.919 123.888 119.914 0.092 0.000 2.546 194 V HA 0.349 4.469 4.120 -0.000 0.000 0.284 194 V C -0.314 175.739 176.094 -0.069 0.000 1.050 194 V CA 0.019 62.219 62.300 -0.167 0.000 0.981 194 V CB 0.574 32.287 31.823 -0.184 0.000 0.990 194 V HN 0.623 nan 8.190 nan 0.000 0.474 195 F N 1.646 121.432 119.950 -0.273 0.000 2.664 195 F HA 0.665 5.192 4.527 -0.000 0.000 0.329 195 F C -0.679 174.971 175.800 -0.250 0.000 1.090 195 F CA -1.487 56.384 58.000 -0.216 0.000 0.978 195 F CB 1.617 40.504 39.000 -0.189 0.000 1.378 195 F HN 0.413 nan 8.300 nan 0.000 0.495 196 D N 1.633 122.160 120.400 0.212 0.000 2.441 196 D HA 0.267 4.906 4.640 -0.000 0.000 0.231 196 D C 1.266 177.643 176.300 0.128 0.000 1.073 196 D CA -0.304 53.713 54.000 0.029 0.000 0.850 196 D CB 2.068 42.869 40.800 0.002 0.000 1.062 196 D HN 0.576 nan 8.370 nan 0.000 0.524 197 V N 2.475 122.374 119.914 -0.025 0.000 2.495 197 V HA -0.262 3.858 4.120 -0.000 0.000 0.260 197 V C 1.359 177.471 176.094 0.031 0.000 1.097 197 V CA 1.651 63.971 62.300 0.033 0.000 1.105 197 V CB -0.397 31.366 31.823 -0.099 0.000 0.678 197 V HN 0.503 nan 8.190 nan 0.000 0.469 198 D N -0.275 120.128 120.400 0.005 0.000 2.468 198 D HA -0.022 4.618 4.640 -0.000 0.000 0.243 198 D C 2.398 178.695 176.300 -0.005 0.000 0.994 198 D CA 1.481 55.478 54.000 -0.005 0.000 0.932 198 D CB -0.162 40.629 40.800 -0.015 0.000 1.078 198 D HN 0.470 nan 8.370 nan 0.000 0.473 199 S N 0.212 115.911 115.700 -0.002 0.000 2.383 199 S HA -0.280 4.190 4.470 -0.000 0.000 0.229 199 S C 1.294 175.884 174.600 -0.016 0.000 1.030 199 S CA 2.388 60.584 58.200 -0.007 0.000 1.002 199 S CB -0.065 63.135 63.200 -0.001 0.000 0.829 199 S HN 0.139 nan 8.310 nan 0.000 0.467 200 Q N -0.811 118.988 119.800 -0.002 0.000 2.305 200 Q HA -0.157 4.183 4.340 -0.000 0.000 0.203 200 Q C -0.491 175.398 176.000 -0.185 0.000 0.663 200 Q CA 1.090 56.828 55.803 -0.108 0.000 1.389 200 Q CB -1.073 27.581 28.738 -0.140 0.000 1.566 200 Q HN 0.508 nan 8.270 nan 0.000 0.755 201 R N 0.460 120.922 120.500 -0.063 0.000 2.532 201 R HA 0.551 4.890 4.340 -0.000 0.000 0.272 201 R C 0.508 176.808 176.300 -0.000 0.000 1.032 201 R CA 0.336 56.399 56.100 -0.062 0.000 1.089 201 R CB 0.685 30.970 30.300 -0.026 0.000 1.098 201 R HN 0.382 nan 8.270 nan 0.000 0.526 202 T N -1.658 112.889 114.554 -0.012 0.000 2.816 202 T HA 0.473 4.822 4.350 -0.000 0.000 0.282 202 T C 1.112 175.827 174.700 0.025 0.000 0.993 202 T CA -0.551 61.571 62.100 0.038 0.000 0.994 202 T CB 0.851 69.729 68.868 0.015 0.000 1.025 202 T HN 0.439 nan 8.240 nan 0.000 0.529 203 L N -0.568 120.670 121.223 0.025 0.000 3.785 203 L HA 0.438 4.778 4.340 -0.000 0.000 0.203 203 L C 0.860 177.738 176.870 0.013 0.000 1.234 203 L CA -0.828 54.017 54.840 0.009 0.000 1.539 203 L CB -0.134 41.920 42.059 -0.008 0.000 1.841 203 L HN 0.637 nan 8.230 nan 0.000 0.835 204 E N 0.344 120.552 120.200 0.014 0.000 2.405 204 E HA 0.158 4.508 4.350 -0.000 0.000 0.253 204 E C -0.624 176.002 176.600 0.043 0.000 1.257 204 E CA -0.295 56.120 56.400 0.027 0.000 0.960 204 E CB 0.485 30.203 29.700 0.031 0.000 1.077 204 E HN 0.115 nan 8.360 nan 0.000 0.512 205 E N 0.317 120.544 120.200 0.045 0.000 2.199 205 E HA 0.421 4.771 4.350 -0.000 0.000 0.269 205 E C -1.425 175.209 176.600 0.057 0.000 0.899 205 E CA -0.577 55.851 56.400 0.046 0.000 0.772 205 E CB 2.128 31.843 29.700 0.025 0.000 1.155 205 E HN 0.108 nan 8.360 nan 0.000 0.408 206 V N 2.618 122.567 119.914 0.059 0.000 2.789 206 V HA 0.131 4.251 4.120 -0.000 0.000 0.311 206 V C 0.995 177.080 176.094 -0.015 0.000 1.073 206 V CA -0.443 61.880 62.300 0.037 0.000 0.921 206 V CB 1.996 33.860 31.823 0.068 0.000 1.009 206 V HN 0.777 nan 8.190 nan 0.000 0.426 207 E N 2.574 122.757 120.200 -0.028 0.000 2.216 207 E HA 0.382 4.732 4.350 -0.000 0.000 0.192 207 E C 0.435 176.993 176.600 -0.070 0.000 0.973 207 E CA 0.906 57.281 56.400 -0.041 0.000 0.851 207 E CB 0.609 30.294 29.700 -0.024 0.000 0.804 207 E HN 0.836 nan 8.360 nan 0.000 0.477 208 A N 0.817 123.580 122.820 -0.095 0.000 2.572 208 A HA 0.610 4.930 4.320 -0.000 0.000 0.295 208 A C -1.445 176.010 177.584 -0.215 0.000 1.072 208 A CA -0.739 51.221 52.037 -0.127 0.000 0.691 208 A CB 1.431 20.382 19.000 -0.082 0.000 1.291 208 A HN 0.256 nan 8.150 nan 0.000 0.404 209 I N 1.347 121.767 120.570 -0.250 0.000 2.569 209 I HA 0.438 4.608 4.170 -0.000 0.000 0.290 209 I C -1.523 174.467 176.117 -0.212 0.000 1.088 209 I CA -0.698 60.382 61.300 -0.366 0.000 1.047 209 I CB 1.890 39.565 38.000 -0.541 0.000 1.237 209 I HN 0.647 nan 8.210 nan 0.000 0.421 210 N N 7.337 125.936 118.700 -0.168 0.000 2.438 210 N HA 0.429 5.168 4.740 -0.000 0.000 0.282 210 N C -1.398 174.037 175.510 -0.125 0.000 1.037 210 N CA -0.285 52.689 53.050 -0.126 0.000 0.942 210 N CB 2.064 40.488 38.487 -0.105 0.000 1.136 210 N HN 0.676 nan 8.380 nan 0.000 0.481 211 L N 5.216 126.362 121.223 -0.127 0.000 2.345 211 L HA 0.462 4.802 4.340 -0.000 0.000 0.274 211 L C -0.771 176.041 176.870 -0.096 0.000 0.999 211 L CA -0.573 54.211 54.840 -0.094 0.000 0.849 211 L CB 0.521 42.511 42.059 -0.116 0.000 1.220 211 L HN 0.361 nan 8.230 nan 0.000 0.422 212 L N 4.041 125.207 121.223 -0.094 0.000 2.567 212 L HA 0.601 4.941 4.340 -0.000 0.000 0.238 212 L C -1.994 174.875 176.870 -0.003 0.000 1.168 212 L CA -2.037 52.729 54.840 -0.123 0.000 0.817 212 L CB -0.176 41.761 42.059 -0.203 0.000 1.409 212 L HN 0.429 nan 8.230 nan 0.000 0.502 213 P HA 0.132 nan 4.420 nan 0.000 0.276 213 P C -0.256 176.920 177.300 -0.206 0.000 1.261 213 P CA -0.337 62.748 63.100 -0.026 0.000 0.800 213 P CB 0.676 32.343 31.700 -0.054 0.000 1.066 214 A N 0.065 122.652 122.820 -0.389 0.000 2.119 214 A HA -0.048 4.272 4.320 -0.000 0.000 0.217 214 A C 0.343 177.306 177.584 -1.035 0.000 1.153 214 A CA 1.646 53.139 52.037 -0.906 0.000 0.692 214 A CB -1.054 17.390 19.000 -0.928 0.000 0.799 214 A HN 0.683 nan 8.150 nan 0.000 0.458 215 H N -3.022 115.796 119.070 -0.419 0.000 3.766 215 H HA 0.516 5.072 4.556 -0.000 0.000 0.346 215 H C -0.599 174.531 175.328 -0.330 0.000 1.689 215 H CA -0.668 55.037 56.048 -0.571 0.000 1.205 215 H CB 0.543 29.557 29.762 -1.248 0.000 1.575 215 H HN 0.119 nan 8.280 nan 0.000 0.704 216 E N 0.472 120.496 120.200 -0.293 0.000 2.815 216 E HA 0.264 4.614 4.350 -0.000 0.000 0.211 216 E C -1.442 175.069 176.600 -0.148 0.000 1.004 216 E CA -0.230 56.166 56.400 -0.007 0.000 1.173 216 E CB 0.307 30.112 29.700 0.176 0.000 1.163 216 E HN 0.304 nan 8.360 nan 0.000 0.449 217 F N -2.453 117.295 119.950 -0.337 0.000 2.689 217 F HA 0.336 4.863 4.527 -0.000 0.000 0.314 217 F C -3.079 172.588 175.800 -0.221 0.000 1.068 217 F CA -2.553 55.042 58.000 -0.676 0.000 1.023 217 F CB 0.135 38.795 39.000 -0.566 0.000 1.264 217 F HN -0.226 nan 8.300 nan 0.000 0.474 218 P HA 0.190 nan 4.420 nan 0.000 0.270 218 P C -0.197 177.152 177.300 0.082 0.000 1.221 218 P CA 0.173 63.412 63.100 0.232 0.000 0.788 218 P CB 1.097 32.965 31.700 0.280 0.000 0.904 219 T N -2.437 112.177 114.554 0.099 0.000 3.328 219 T HA 0.132 4.482 4.350 -0.000 0.000 0.305 219 T C -0.203 174.549 174.700 0.086 0.000 0.939 219 T CA -0.343 61.792 62.100 0.058 0.000 0.950 219 T CB -0.392 68.486 68.868 0.016 0.000 1.182 219 T HN 0.495 nan 8.240 nan 0.000 0.545 220 D N 0.867 121.333 120.400 0.110 0.000 2.312 220 D HA 0.547 5.186 4.640 -0.000 0.000 0.248 220 D C 1.557 177.909 176.300 0.087 0.000 1.086 220 D CA -0.467 53.585 54.000 0.087 0.000 0.948 220 D CB 0.860 41.708 40.800 0.081 0.000 1.162 220 D HN 0.001 nan 8.370 nan 0.000 0.446 221 K N 1.134 121.571 120.400 0.062 0.000 2.077 221 K HA -0.226 4.094 4.320 -0.000 0.000 0.213 221 K C 2.132 178.776 176.600 0.074 0.000 1.051 221 K CA 2.545 58.866 56.287 0.056 0.000 0.929 221 K CB -1.669 30.855 32.500 0.040 0.000 0.715 221 K HN 0.661 nan 8.250 nan 0.000 0.451 222 A N 0.839 123.707 122.820 0.079 0.000 1.873 222 A HA 0.114 4.434 4.320 -0.000 0.000 0.218 222 A C 2.837 180.494 177.584 0.122 0.000 1.193 222 A CA 2.909 55.002 52.037 0.093 0.000 0.629 222 A CB -1.087 17.969 19.000 0.092 0.000 0.826 222 A HN 1.195 nan 8.150 nan 0.000 0.447 223 A N -0.270 122.640 122.820 0.150 0.000 1.902 223 A HA -0.068 4.252 4.320 -0.000 0.000 0.217 223 A C 2.133 179.854 177.584 0.228 0.000 1.181 223 A CA 1.500 53.661 52.037 0.207 0.000 0.623 223 A CB -0.636 18.511 19.000 0.245 0.000 0.818 223 A HN 0.525 nan 8.150 nan 0.000 0.443 224 I N -0.526 120.149 120.570 0.175 0.000 2.208 224 I HA -0.278 3.892 4.170 -0.000 0.000 0.245 224 I C 2.496 178.686 176.117 0.121 0.000 1.097 224 I CA 1.681 63.063 61.300 0.137 0.000 1.363 224 I CB -0.525 37.510 38.000 0.059 0.000 1.051 224 I HN 0.451 nan 8.210 nan 0.000 0.413 225 E N 0.754 121.015 120.200 0.101 0.000 2.110 225 E HA -0.218 4.132 4.350 -0.000 0.000 0.193 225 E C 2.337 179.004 176.600 0.112 0.000 0.988 225 E CA 0.921 57.376 56.400 0.091 0.000 0.804 225 E CB -0.018 29.730 29.700 0.079 0.000 0.745 225 E HN 0.472 nan 8.360 nan 0.000 0.458 226 L N 0.197 121.497 121.223 0.128 0.000 2.017 226 L HA -0.185 4.155 4.340 -0.000 0.000 0.208 226 L C 2.305 179.239 176.870 0.107 0.000 1.073 226 L CA 1.026 55.939 54.840 0.121 0.000 0.745 226 L CB -0.229 41.913 42.059 0.138 0.000 0.894 226 L HN 0.141 nan 8.230 nan 0.000 0.432 227 F N 1.063 120.965 119.950 -0.081 0.000 2.025 227 F HA -0.320 4.207 4.527 -0.000 0.000 0.297 227 F C 2.719 178.529 175.800 0.016 0.000 1.132 227 F CA 1.967 59.837 58.000 -0.216 0.000 1.191 227 F CB -0.413 38.293 39.000 -0.489 0.000 0.963 227 F HN -0.028 nan 8.300 nan 0.000 0.481 228 R N -0.183 120.394 120.500 0.128 0.000 2.133 228 R HA -0.216 4.123 4.340 -0.000 0.000 0.245 228 R C 2.381 178.862 176.300 0.302 0.000 1.137 228 R CA 1.989 58.239 56.100 0.250 0.000 0.947 228 R CB -1.167 29.229 30.300 0.161 0.000 0.865 228 R HN 0.283 nan 8.270 nan 0.000 0.437 229 S N 0.786 116.590 115.700 0.173 0.000 2.348 229 S HA -0.168 4.302 4.470 -0.000 0.000 0.221 229 S C 1.916 176.570 174.600 0.091 0.000 1.033 229 S CA 1.116 59.394 58.200 0.129 0.000 1.010 229 S CB -0.146 63.111 63.200 0.094 0.000 0.891 229 S HN 0.365 nan 8.310 nan 0.000 0.442 230 Q N -0.575 119.259 119.800 0.057 0.000 2.291 230 Q HA -0.114 4.226 4.340 -0.000 0.000 0.205 230 Q C 1.826 177.829 176.000 0.006 0.000 0.970 230 Q CA 0.759 56.572 55.803 0.017 0.000 0.876 230 Q CB -0.075 28.670 28.738 0.012 0.000 0.935 230 Q HN 0.733 nan 8.270 nan 0.000 0.455 231 W N 1.431 122.614 121.300 -0.195 0.000 2.413 231 W HA -0.135 4.525 4.660 -0.000 0.000 0.315 231 W C 1.428 177.923 176.519 -0.039 0.000 1.186 231 W CA 1.059 58.308 57.345 -0.160 0.000 1.326 231 W CB -0.221 29.069 29.460 -0.284 0.000 1.153 231 W HN 0.010 nan 8.180 nan 0.000 0.489 232 R N 0.344 120.916 120.500 0.119 0.000 2.139 232 R HA -0.174 4.166 4.340 -0.000 0.000 0.243 232 R C 1.355 177.575 176.300 -0.133 0.000 1.145 232 R CA 1.768 57.844 56.100 -0.040 0.000 0.976 232 R CB -0.546 29.776 30.300 0.037 0.000 0.866 232 R HN 0.115 nan 8.270 nan 0.000 0.449 233 D N -0.704 119.631 120.400 -0.108 0.000 2.338 233 D HA -0.004 4.636 4.640 -0.000 0.000 0.239 233 D C 0.546 176.699 176.300 -0.244 0.000 1.095 233 D CA 0.846 54.767 54.000 -0.133 0.000 0.888 233 D CB 0.672 41.428 40.800 -0.074 0.000 0.899 233 D HN 0.269 nan 8.370 nan 0.000 0.525 234 T N -1.465 112.846 114.554 -0.405 0.000 3.211 234 T HA 0.128 4.478 4.350 -0.000 0.000 0.261 234 T C 0.139 174.201 174.700 -1.062 0.000 0.880 234 T CA -0.086 61.570 62.100 -0.740 0.000 0.903 234 T CB 0.806 69.118 68.868 -0.927 0.000 1.264 234 T HN -0.074 nan 8.240 nan 0.000 0.532 235 F N 1.198 120.802 119.950 -0.578 0.000 2.664 235 F HA 0.617 5.144 4.527 -0.000 0.000 0.329 235 F C 0.277 175.779 175.800 -0.498 0.000 1.090 235 F CA -1.341 56.294 58.000 -0.609 0.000 0.978 235 F CB 1.203 39.591 39.000 -1.020 0.000 1.378 235 F HN -0.189 nan 8.300 nan 0.000 0.495 236 E N 0.009 120.167 120.200 -0.070 0.000 2.602 236 E HA 0.638 4.988 4.350 -0.000 0.000 0.255 236 E C -1.172 175.463 176.600 0.059 0.000 1.268 236 E CA -0.759 55.621 56.400 -0.033 0.000 1.007 236 E CB 1.379 31.083 29.700 0.007 0.000 1.208 236 E HN 0.211 nan 8.360 nan 0.000 0.584 237 V N -0.595 119.320 119.914 0.002 0.000 3.102 237 V HA 0.734 4.854 4.120 -0.000 0.000 0.312 237 V C -0.293 175.667 176.094 -0.222 0.000 1.135 237 V CA -0.791 61.460 62.300 -0.081 0.000 1.022 237 V CB 1.609 33.285 31.823 -0.246 0.000 1.056 237 V HN 0.792 nan 8.190 nan 0.000 0.436 238 K N -0.063 120.041 120.400 -0.493 0.000 2.508 238 K HA 0.863 5.182 4.320 -0.000 0.000 0.260 238 K C 0.297 176.755 176.600 -0.236 0.000 0.949 238 K CA -0.077 55.997 56.287 -0.354 0.000 0.834 238 K CB 1.580 33.847 32.500 -0.387 0.000 1.365 238 K HN 0.934 nan 8.250 nan 0.000 0.437 239 R N 0.868 121.306 120.500 -0.104 0.000 2.223 239 R HA 0.105 4.445 4.340 -0.000 0.000 0.198 239 R C 0.430 176.722 176.300 -0.013 0.000 0.984 239 R CA 1.316 57.393 56.100 -0.039 0.000 1.018 239 R CB -0.650 29.639 30.300 -0.018 0.000 0.945 239 R HN 0.887 nan 8.270 nan 0.000 0.479 240 D N 1.860 122.254 120.400 -0.009 0.000 2.382 240 D HA 0.161 4.801 4.640 -0.000 0.000 0.245 240 D C -2.077 174.251 176.300 0.047 0.000 1.120 240 D CA -1.754 52.259 54.000 0.022 0.000 0.890 240 D CB 1.139 41.959 40.800 0.033 0.000 1.201 240 D HN 0.164 nan 8.370 nan 0.000 0.433 241 P HA -0.109 nan 4.420 nan 0.000 0.302 241 P C 0.309 177.656 177.300 0.077 0.000 1.301 241 P CA 0.101 63.232 63.100 0.052 0.000 0.770 241 P CB 0.104 31.822 31.700 0.031 0.000 1.458 242 E N -3.421 116.809 120.200 0.050 0.000 2.551 242 E HA -0.308 4.042 4.350 -0.000 0.000 0.251 242 E C 0.025 176.660 176.600 0.058 0.000 1.210 242 E CA 0.802 57.226 56.400 0.040 0.000 0.725 242 E CB -2.423 27.300 29.700 0.039 0.000 1.290 242 E HN 0.567 nan 8.360 nan 0.000 0.413 243 H N 0.174 119.227 119.070 -0.029 0.000 2.638 243 H HA 0.208 4.764 4.556 -0.000 0.000 0.317 243 H C 1.204 176.455 175.328 -0.128 0.000 1.006 243 H CA -0.552 55.474 56.048 -0.037 0.000 1.222 243 H CB 0.667 30.440 29.762 0.017 0.000 1.419 243 H HN -0.000 nan 8.280 nan 0.000 0.489 244 I N 5.147 125.446 120.570 -0.451 0.000 2.504 244 I HA -0.463 3.707 4.170 -0.000 0.000 0.230 244 I C 2.159 178.015 176.117 -0.435 0.000 0.933 244 I CA 2.181 63.171 61.300 -0.516 0.000 1.236 244 I CB -1.388 36.096 38.000 -0.860 0.000 0.947 244 I HN 0.697 nan 8.210 nan 0.000 0.390 245 Y N 0.566 120.421 120.300 -0.742 0.000 2.053 245 Y HA -0.368 4.182 4.550 -0.000 0.000 0.277 245 Y C 2.798 178.558 175.900 -0.232 0.000 1.159 245 Y CA 2.526 60.221 58.100 -0.676 0.000 1.125 245 Y CB -0.551 37.450 38.460 -0.764 0.000 0.969 245 Y HN 0.232 nan 8.280 nan 0.000 0.492 246 Q N 0.185 120.044 119.800 0.099 0.000 2.170 246 Q HA -0.207 4.132 4.340 -0.000 0.000 0.203 246 Q C 2.246 178.194 176.000 -0.086 0.000 0.976 246 Q CA 1.905 57.711 55.803 0.005 0.000 0.858 246 Q CB -0.181 28.615 28.738 0.097 0.000 0.907 246 Q HN 0.621 nan 8.270 nan 0.000 0.433 247 Q N -1.321 118.421 119.800 -0.097 0.000 2.137 247 Q HA -0.052 4.288 4.340 -0.000 0.000 0.198 247 Q C 1.934 177.842 176.000 -0.153 0.000 0.960 247 Q CA 1.281 57.020 55.803 -0.107 0.000 0.847 247 Q CB 0.322 29.001 28.738 -0.098 0.000 0.915 247 Q HN 0.282 nan 8.270 nan 0.000 0.448 248 V N 0.336 120.111 119.914 -0.231 0.000 2.453 248 V HA -0.185 3.935 4.120 -0.000 0.000 0.247 248 V C 2.080 178.043 176.094 -0.220 0.000 1.048 248 V CA 1.617 63.759 62.300 -0.264 0.000 1.049 248 V CB -0.336 31.222 31.823 -0.441 0.000 0.672 248 V HN 0.241 nan 8.190 nan 0.000 0.457 249 S N -0.537 114.996 115.700 -0.278 0.000 2.419 249 S HA -0.195 4.274 4.470 -0.000 0.000 0.233 249 S C 1.894 176.410 174.600 -0.139 0.000 1.016 249 S CA 1.255 59.303 58.200 -0.255 0.000 0.974 249 S CB -0.247 62.730 63.200 -0.372 0.000 0.786 249 S HN 0.590 nan 8.310 nan 0.000 0.492 250 K N 0.678 121.011 120.400 -0.111 0.000 2.444 250 K HA 0.123 4.443 4.320 -0.000 0.000 0.193 250 K C 0.771 177.341 176.600 -0.051 0.000 1.024 250 K CA 0.478 56.726 56.287 -0.064 0.000 1.077 250 K CB -0.150 32.321 32.500 -0.049 0.000 0.833 250 K HN 0.374 nan 8.250 nan 0.000 0.517 251 G N 1.490 110.251 108.800 -0.066 0.000 2.171 251 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.238 251 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.238 251 G C -0.122 174.755 174.900 -0.038 0.000 1.039 251 G CA 0.449 45.523 45.100 -0.043 0.000 0.759 251 G HN 0.388 nan 8.290 nan 0.000 0.501 252 T N -0.834 113.684 114.554 -0.060 0.000 2.910 252 T HA 0.771 5.121 4.350 -0.000 0.000 0.287 252 T C -0.002 174.655 174.700 -0.072 0.000 1.050 252 T CA -0.907 61.164 62.100 -0.049 0.000 1.011 252 T CB 2.361 71.206 68.868 -0.039 0.000 1.195 252 T HN 0.409 nan 8.240 nan 0.000 0.540 253 L N 1.727 122.917 121.223 -0.054 0.000 2.417 253 L HA 0.374 4.714 4.340 -0.000 0.000 0.259 253 L C -2.513 174.343 176.870 -0.024 0.000 1.023 253 L CA -1.945 52.857 54.840 -0.063 0.000 0.901 253 L CB 1.097 43.105 42.059 -0.086 0.000 1.227 253 L HN 0.387 nan 8.230 nan 0.000 0.454 254 P HA -0.061 nan 4.420 nan 0.000 0.268 254 P C 0.758 178.097 177.300 0.066 0.000 1.189 254 P CA 0.293 63.405 63.100 0.020 0.000 0.771 254 P CB 0.816 32.524 31.700 0.013 0.000 0.822 255 A N 3.126 125.979 122.820 0.056 0.000 2.573 255 A HA -0.179 4.141 4.320 -0.000 0.000 0.211 255 A C 1.798 179.451 177.584 0.115 0.000 1.231 255 A CA 2.097 54.159 52.037 0.043 0.000 0.977 255 A CB -1.919 17.059 19.000 -0.035 0.000 0.761 255 A HN 0.663 nan 8.150 nan 0.000 0.549 256 G N -0.909 108.003 108.800 0.186 0.000 3.353 256 G HA2 0.348 4.308 3.960 -0.000 0.000 0.247 256 G HA3 0.348 4.308 3.960 -0.000 0.000 0.247 256 G C 0.659 175.726 174.900 0.278 0.000 1.025 256 G CA 0.248 45.499 45.100 0.250 0.000 1.863 256 G HN 0.595 nan 8.290 nan 0.000 0.635 257 I N -0.715 120.001 120.570 0.244 0.000 3.083 257 I HA -0.025 4.145 4.170 -0.000 0.000 0.273 257 I C 1.651 177.838 176.117 0.116 0.000 1.297 257 I CA 0.469 61.971 61.300 0.336 0.000 1.452 257 I CB 0.322 38.419 38.000 0.162 0.000 1.078 257 I HN 0.158 nan 8.210 nan 0.000 0.484 258 E N -0.276 119.845 120.200 -0.132 0.000 2.511 258 E HA -0.100 4.250 4.350 -0.000 0.000 0.196 258 E C 0.044 176.452 176.600 -0.320 0.000 1.066 258 E CA 0.591 56.768 56.400 -0.372 0.000 0.871 258 E CB -0.114 29.008 29.700 -0.963 0.000 0.863 258 E HN 0.546 nan 8.360 nan 0.000 0.520 259 Y N -1.358 118.839 120.300 -0.172 0.000 2.801 259 Y HA 0.132 4.682 4.550 -0.000 0.000 0.318 259 Y C 0.087 175.518 175.900 -0.782 0.000 1.073 259 Y CA -0.448 57.359 58.100 -0.489 0.000 1.360 259 Y CB 0.375 38.385 38.460 -0.750 0.000 1.220 259 Y HN 0.123 nan 8.280 nan 0.000 0.536 260 W N -0.319 121.100 121.300 0.198 0.000 0.946 260 W HA 0.103 4.762 4.660 -0.000 0.000 0.183 260 W C 1.438 178.138 176.519 0.301 0.000 0.724 260 W CA -0.539 56.978 57.345 0.286 0.000 1.066 260 W CB -0.546 29.151 29.460 0.394 0.000 0.789 260 W HN 0.246 nan 8.180 nan 0.000 0.380 261 Q N 1.604 121.567 119.800 0.272 0.000 2.197 261 Q HA -0.157 4.183 4.340 -0.000 0.000 0.207 261 Q C -0.864 175.398 176.000 0.436 0.000 0.984 261 Q CA 2.016 57.946 55.803 0.212 0.000 0.869 261 Q CB -0.396 28.419 28.738 0.128 0.000 0.906 261 Q HN 0.003 nan 8.270 nan 0.000 0.426 262 P HA -0.138 nan 4.420 nan 0.000 0.217 262 P C 0.642 178.151 177.300 0.349 0.000 1.150 262 P CA 1.082 64.369 63.100 0.312 0.000 0.832 262 P CB -0.036 31.783 31.700 0.198 0.000 0.787 263 L N -2.693 118.716 121.223 0.309 0.000 2.633 263 L HA -0.036 4.304 4.340 -0.000 0.000 0.235 263 L C 1.212 178.111 176.870 0.049 0.000 1.163 263 L CA 0.738 55.643 54.840 0.108 0.000 0.859 263 L CB -0.676 41.294 42.059 -0.148 0.000 0.973 263 L HN -0.021 nan 8.230 nan 0.000 0.451 264 F N -1.779 118.359 119.950 0.314 0.000 2.721 264 F HA 0.212 4.739 4.527 -0.000 0.000 0.301 264 F C 0.553 176.259 175.800 -0.158 0.000 1.096 264 F CA -0.313 57.737 58.000 0.083 0.000 1.308 264 F CB 0.409 39.330 39.000 -0.131 0.000 1.086 264 F HN -0.168 nan 8.300 nan 0.000 0.587 265 F N -0.832 119.276 119.950 0.263 0.000 2.561 265 F HA 0.276 4.803 4.527 -0.000 0.000 0.321 265 F C 1.378 177.266 175.800 0.146 0.000 1.065 265 F CA -0.770 57.345 58.000 0.193 0.000 0.934 265 F CB 1.524 40.610 39.000 0.143 0.000 1.215 265 F HN -0.249 nan 8.300 nan 0.000 0.471 266 S N 0.203 116.097 115.700 0.324 0.000 2.388 266 S HA -0.036 4.434 4.470 -0.000 0.000 0.223 266 S C 0.370 175.081 174.600 0.185 0.000 1.034 266 S CA 0.289 58.613 58.200 0.208 0.000 0.963 266 S CB -0.740 62.562 63.200 0.170 0.000 0.827 266 S HN 0.683 nan 8.310 nan 0.000 0.481 267 E N 2.711 123.034 120.200 0.205 0.000 2.283 267 E HA 0.518 4.868 4.350 -0.000 0.000 0.278 267 E C -2.806 173.853 176.600 0.098 0.000 1.027 267 E CA -2.263 54.218 56.400 0.134 0.000 0.843 267 E CB -0.001 29.773 29.700 0.122 0.000 1.062 267 E HN 0.130 nan 8.360 nan 0.000 0.401 268 P HA -0.079 nan 4.420 nan 0.000 0.267 268 P C -0.755 176.521 177.300 -0.039 0.000 1.195 268 P CA 0.105 63.218 63.100 0.021 0.000 0.773 268 P CB 0.409 32.120 31.700 0.017 0.000 0.837 269 L N 4.563 125.739 121.223 -0.078 0.000 2.433 269 L HA 0.194 4.534 4.340 -0.000 0.000 0.275 269 L C -1.849 174.974 176.870 -0.079 0.000 1.128 269 L CA -1.670 53.080 54.840 -0.150 0.000 0.875 269 L CB 0.007 41.965 42.059 -0.169 0.000 1.171 269 L HN 0.267 nan 8.230 nan 0.000 0.463 270 P HA 0.081 nan 4.420 nan 0.000 0.271 270 P C -2.486 174.834 177.300 0.033 0.000 1.233 270 P CA -0.827 62.281 63.100 0.013 0.000 0.789 270 P CB -0.028 31.697 31.700 0.041 0.000 0.951 271 P HA 0.099 nan 4.420 nan 0.000 0.284 271 P C 0.575 177.940 177.300 0.109 0.000 1.258 271 P CA -0.452 62.704 63.100 0.093 0.000 0.824 271 P CB 0.838 32.648 31.700 0.184 0.000 1.038 272 L N 2.459 123.672 121.223 -0.016 0.000 2.151 272 L HA -0.208 4.131 4.340 -0.000 0.000 0.215 272 L C 1.957 178.846 176.870 0.031 0.000 1.084 272 L CA 1.927 56.742 54.840 -0.042 0.000 0.764 272 L CB -1.627 40.293 42.059 -0.232 0.000 0.891 272 L HN 0.228 nan 8.230 nan 0.000 0.435 273 F N -0.902 118.972 119.950 -0.127 0.000 2.307 273 F HA -0.200 4.327 4.527 -0.000 0.000 0.301 273 F C 2.802 178.624 175.800 0.036 0.000 1.076 273 F CA 1.243 58.992 58.000 -0.419 0.000 1.383 273 F CB -1.147 37.476 39.000 -0.627 0.000 1.055 273 F HN 0.209 nan 8.300 nan 0.000 0.526 274 S N -0.244 115.618 115.700 0.270 0.000 2.400 274 S HA -0.289 4.181 4.470 -0.000 0.000 0.234 274 S C 1.812 176.416 174.600 0.007 0.000 1.049 274 S CA 1.736 60.009 58.200 0.122 0.000 1.039 274 S CB -0.519 62.700 63.200 0.032 0.000 0.856 274 S HN 0.475 nan 8.310 nan 0.000 0.465 275 Y N -0.073 120.334 120.300 0.178 0.000 2.546 275 Y HA 0.338 4.888 4.550 -0.000 0.000 0.287 275 Y C 0.340 176.290 175.900 0.084 0.000 1.158 275 Y CA -0.572 57.579 58.100 0.086 0.000 1.307 275 Y CB -0.304 38.182 38.460 0.043 0.000 1.036 275 Y HN 0.139 nan 8.280 nan 0.000 0.532 276 F N 2.372 122.350 119.950 0.046 0.000 2.543 276 F HA 0.198 4.725 4.527 -0.000 0.000 0.375 276 F C -1.538 174.339 175.800 0.129 0.000 1.075 276 F CA -3.047 54.952 58.000 -0.003 0.000 1.225 276 F CB -0.222 38.620 39.000 -0.264 0.000 1.099 276 F HN -0.076 nan 8.300 nan 0.000 0.561 277 P HA 0.154 nan 4.420 nan 0.000 0.273 277 P C -0.043 177.466 177.300 0.347 0.000 1.250 277 P CA -0.013 63.205 63.100 0.197 0.000 0.793 277 P CB 0.740 32.502 31.700 0.104 0.000 1.011 278 A N 0.911 123.868 122.820 0.229 0.000 1.855 278 A HA -0.087 4.233 4.320 -0.000 0.000 0.213 278 A C 1.126 178.834 177.584 0.207 0.000 1.195 278 A CA 0.828 52.983 52.037 0.197 0.000 0.610 278 A CB -1.139 17.908 19.000 0.079 0.000 0.837 278 A HN 0.743 nan 8.150 nan 0.000 0.444 279 N N 0.506 119.305 118.700 0.164 0.000 2.400 279 N HA 0.195 4.935 4.740 -0.000 0.000 0.267 279 N C -1.009 174.657 175.510 0.260 0.000 1.208 279 N CA 0.703 53.854 53.050 0.169 0.000 0.951 279 N CB 0.097 38.648 38.487 0.106 0.000 1.227 279 N HN 0.243 nan 8.380 nan 0.000 0.488 280 T N 3.038 117.796 114.554 0.340 0.000 3.401 280 T HA 0.263 4.613 4.350 -0.000 0.000 0.405 280 T C -1.394 173.493 174.700 0.311 0.000 1.688 280 T CA -0.761 61.526 62.100 0.312 0.000 1.143 280 T CB 0.394 69.432 68.868 0.285 0.000 1.526 280 T HN 0.427 nan 8.240 nan 0.000 0.472 281 L N 3.269 124.523 121.223 0.052 0.000 2.332 281 L HA 0.957 5.297 4.340 -0.000 0.000 0.269 281 L C -1.023 175.869 176.870 0.037 0.000 1.016 281 L CA -0.713 54.162 54.840 0.057 0.000 0.809 281 L CB 0.761 42.773 42.059 -0.079 0.000 1.280 281 L HN 0.596 nan 8.230 nan 0.000 0.447 282 L N 1.001 122.269 121.223 0.075 0.000 2.303 282 L HA 0.879 5.219 4.340 -0.000 0.000 0.266 282 L C -1.060 175.816 176.870 0.011 0.000 1.011 282 L CA -1.192 53.679 54.840 0.052 0.000 0.818 282 L CB 2.289 44.404 42.059 0.092 0.000 1.326 282 L HN 0.481 nan 8.230 nan 0.000 0.435 283 V N -0.106 119.808 119.914 -0.001 0.000 2.655 283 V HA 0.448 4.568 4.120 -0.000 0.000 0.301 283 V C -0.179 175.908 176.094 -0.012 0.000 1.082 283 V CA -0.665 61.627 62.300 -0.014 0.000 0.899 283 V CB 1.522 33.327 31.823 -0.030 0.000 1.014 283 V HN 0.917 nan 8.190 nan 0.000 0.429 284 N N 0.991 119.685 118.700 -0.010 0.000 2.384 284 N HA 0.589 5.328 4.740 -0.000 0.000 0.301 284 N C 0.596 176.099 175.510 -0.012 0.000 1.133 284 N CA 0.072 53.115 53.050 -0.012 0.000 0.853 284 N CB 1.867 40.348 38.487 -0.010 0.000 1.241 284 N HN 0.649 nan 8.380 nan 0.000 0.502 285 T N -0.375 114.171 114.554 -0.012 0.000 3.035 285 T HA 0.480 4.830 4.350 -0.000 0.000 0.259 285 T C 0.935 175.630 174.700 -0.008 0.000 1.078 285 T CA 1.202 63.293 62.100 -0.014 0.000 1.132 285 T CB -0.393 68.466 68.868 -0.016 0.000 0.900 285 T HN 1.689 nan 8.240 nan 0.000 0.480 286 G N 0.794 109.595 108.800 0.002 0.000 2.348 286 G HA2 0.222 4.182 3.960 -0.000 0.000 0.606 286 G HA3 0.222 4.182 3.960 -0.000 0.000 0.606 286 G C -1.235 173.678 174.900 0.022 0.000 1.466 286 G CA -0.571 44.537 45.100 0.012 0.000 0.950 286 G HN -0.055 nan 8.290 nan 0.000 0.657 287 D N -0.518 119.905 120.400 0.037 0.000 2.697 287 D HA -0.157 4.483 4.640 -0.000 0.000 0.235 287 D C 1.923 178.264 176.300 0.068 0.000 1.167 287 D CA 1.286 55.316 54.000 0.049 0.000 0.656 287 D CB -0.633 40.182 40.800 0.025 0.000 1.025 287 D HN 0.587 nan 8.370 nan 0.000 0.419 288 L N -0.508 120.771 121.223 0.094 0.000 2.217 288 L HA -0.082 4.257 4.340 -0.000 0.000 0.211 288 L C 2.443 179.439 176.870 0.210 0.000 1.107 288 L CA 0.920 55.817 54.840 0.095 0.000 0.783 288 L CB -0.220 41.850 42.059 0.018 0.000 0.919 288 L HN 0.138 nan 8.230 nan 0.000 0.442 289 E N 0.372 120.755 120.200 0.304 0.000 2.072 289 E HA -0.165 4.184 4.350 -0.000 0.000 0.191 289 E C 1.988 178.671 176.600 0.138 0.000 0.985 289 E CA 1.663 58.247 56.400 0.306 0.000 0.801 289 E CB 0.161 29.938 29.700 0.129 0.000 0.750 289 E HN 0.395 nan 8.360 nan 0.000 0.452 290 T N -0.149 114.458 114.554 0.087 0.000 2.708 290 T HA -0.161 4.188 4.350 -0.000 0.000 0.266 290 T C 1.996 176.726 174.700 0.050 0.000 1.037 290 T CA 1.323 63.450 62.100 0.045 0.000 1.146 290 T CB -0.359 68.524 68.868 0.024 0.000 0.865 290 T HN 0.072 nan 8.240 nan 0.000 0.435 291 S N 0.855 116.590 115.700 0.060 0.000 2.343 291 S HA -0.069 4.401 4.470 -0.000 0.000 0.219 291 S C 2.443 177.102 174.600 0.098 0.000 1.033 291 S CA 1.372 59.605 58.200 0.055 0.000 1.014 291 S CB -0.783 62.443 63.200 0.043 0.000 0.915 291 S HN 0.511 nan 8.310 nan 0.000 0.435 292 A N 1.444 124.342 122.820 0.129 0.000 1.863 292 A HA -0.253 4.067 4.320 -0.000 0.000 0.218 292 A C 2.012 179.672 177.584 0.126 0.000 1.233 292 A CA 2.534 54.663 52.037 0.154 0.000 0.655 292 A CB -1.561 17.572 19.000 0.222 0.000 0.839 292 A HN 0.651 nan 8.150 nan 0.000 0.454 293 E N -0.191 120.070 120.200 0.102 0.000 2.086 293 E HA -0.271 4.078 4.350 -0.000 0.000 0.200 293 E C 2.141 178.772 176.600 0.051 0.000 1.012 293 E CA 2.038 58.469 56.400 0.052 0.000 0.812 293 E CB -0.360 29.355 29.700 0.026 0.000 0.743 293 E HN 0.557 nan 8.360 nan 0.000 0.453 294 R N -0.636 119.898 120.500 0.057 0.000 2.133 294 R HA -0.229 4.111 4.340 -0.000 0.000 0.245 294 R C 2.507 178.861 176.300 0.090 0.000 1.137 294 R CA 1.986 58.112 56.100 0.043 0.000 0.947 294 R CB -0.859 29.453 30.300 0.019 0.000 0.865 294 R HN 0.433 nan 8.270 nan 0.000 0.437 295 F N 1.066 120.966 119.950 -0.083 0.000 2.051 295 F HA -0.309 4.218 4.527 -0.000 0.000 0.296 295 F C 2.806 178.500 175.800 -0.177 0.000 1.122 295 F CA 1.699 59.617 58.000 -0.137 0.000 1.201 295 F CB -0.270 38.646 39.000 -0.140 0.000 0.978 295 F HN 0.260 nan 8.300 nan 0.000 0.472 296 Q N 0.724 120.514 119.800 -0.017 0.000 2.118 296 Q HA -0.326 4.013 4.340 -0.000 0.000 0.211 296 Q C 2.153 178.102 176.000 -0.085 0.000 0.998 296 Q CA 2.298 57.998 55.803 -0.171 0.000 0.872 296 Q CB -0.442 28.229 28.738 -0.112 0.000 0.925 296 Q HN 0.549 nan 8.270 nan 0.000 0.414 297 A N 0.633 123.438 122.820 -0.024 0.000 1.883 297 A HA -0.243 4.077 4.320 -0.000 0.000 0.217 297 A C 1.629 179.200 177.584 -0.021 0.000 1.186 297 A CA 1.987 54.010 52.037 -0.023 0.000 0.624 297 A CB -0.843 18.148 19.000 -0.015 0.000 0.822 297 A HN 0.585 nan 8.150 nan 0.000 0.444 298 D N -0.815 119.589 120.400 0.007 0.000 2.221 298 D HA -0.074 4.566 4.640 -0.000 0.000 0.204 298 D C 1.930 178.217 176.300 -0.022 0.000 0.982 298 D CA 1.667 55.663 54.000 -0.005 0.000 0.857 298 D CB -0.229 40.569 40.800 -0.002 0.000 0.934 298 D HN 0.486 nan 8.370 nan 0.000 0.475 299 T N 0.331 114.854 114.554 -0.051 0.000 2.732 299 T HA -0.085 4.265 4.350 -0.000 0.000 0.261 299 T C 1.865 176.515 174.700 -0.084 0.000 1.040 299 T CA 0.433 62.437 62.100 -0.160 0.000 1.145 299 T CB -0.407 68.204 68.868 -0.429 0.000 0.866 299 T HN 0.063 nan 8.240 nan 0.000 0.427 300 L N 1.895 123.083 121.223 -0.059 0.000 2.013 300 L HA -0.039 4.301 4.340 -0.000 0.000 0.212 300 L C 2.632 179.520 176.870 0.030 0.000 1.073 300 L CA 2.146 56.990 54.840 0.006 0.000 0.753 300 L CB -1.173 40.881 42.059 -0.009 0.000 0.890 300 L HN 0.242 nan 8.230 nan 0.000 0.432 301 A N 0.047 122.856 122.820 -0.018 0.000 1.869 301 A HA -0.311 4.009 4.320 -0.000 0.000 0.218 301 A C 2.397 179.938 177.584 -0.071 0.000 1.203 301 A CA 2.539 54.554 52.037 -0.037 0.000 0.638 301 A CB -0.766 18.207 19.000 -0.045 0.000 0.831 301 A HN 0.595 nan 8.150 nan 0.000 0.450 302 R N -2.111 118.327 120.500 -0.103 0.000 2.081 302 R HA -0.119 4.221 4.340 -0.000 0.000 0.235 302 R C 2.076 178.191 176.300 -0.309 0.000 1.131 302 R CA 1.483 57.481 56.100 -0.170 0.000 0.960 302 R CB -0.662 29.558 30.300 -0.134 0.000 0.856 302 R HN 0.598 nan 8.270 nan 0.000 0.436 303 F N 2.783 122.422 119.950 -0.519 0.000 2.120 303 F HA -0.235 4.292 4.527 -0.000 0.000 0.300 303 F C 2.179 177.824 175.800 -0.259 0.000 1.095 303 F CA 1.620 59.283 58.000 -0.563 0.000 1.249 303 F CB -0.052 38.738 39.000 -0.351 0.000 0.995 303 F HN -0.072 nan 8.300 nan 0.000 0.480 304 E N 0.426 120.514 120.200 -0.186 0.000 2.017 304 E HA -0.233 4.116 4.350 -0.000 0.000 0.193 304 E C 2.305 178.777 176.600 -0.212 0.000 0.997 304 E CA 1.537 57.827 56.400 -0.185 0.000 0.804 304 E CB -1.404 28.272 29.700 -0.040 0.000 0.757 304 E HN 0.654 nan 8.360 nan 0.000 0.448 305 N N 1.283 119.887 118.700 -0.161 0.000 2.135 305 N HA -0.167 4.573 4.740 -0.000 0.000 0.186 305 N C 2.023 177.450 175.510 -0.137 0.000 1.027 305 N CA 1.653 54.626 53.050 -0.128 0.000 0.849 305 N CB -0.456 37.973 38.487 -0.097 0.000 1.002 305 N HN -0.030 nan 8.380 nan 0.000 0.425 306 R N 0.190 120.593 120.500 -0.161 0.000 2.200 306 R HA 0.160 4.499 4.340 -0.000 0.000 0.208 306 R C 2.370 178.586 176.300 -0.139 0.000 1.033 306 R CA 1.087 57.118 56.100 -0.114 0.000 1.000 306 R CB -0.830 29.425 30.300 -0.075 0.000 0.906 306 R HN 0.413 nan 8.270 nan 0.000 0.462 307 G N -0.164 108.455 108.800 -0.302 0.000 2.498 307 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.219 307 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.219 307 G C 0.802 175.577 174.900 -0.209 0.000 1.119 307 G CA 0.911 45.790 45.100 -0.369 0.000 0.766 307 G HN 0.309 nan 8.290 nan 0.000 0.552 308 V N -1.299 118.522 119.914 -0.154 0.000 3.413 308 V HA 0.236 4.356 4.120 -0.000 0.000 0.344 308 V C -0.205 175.870 176.094 -0.032 0.000 1.225 308 V CA -0.661 61.588 62.300 -0.085 0.000 1.324 308 V CB -0.385 31.392 31.823 -0.077 0.000 1.161 308 V HN 0.023 nan 8.190 nan 0.000 0.432 309 D N 2.545 122.940 120.400 -0.009 0.000 2.249 309 D HA 0.329 4.969 4.640 -0.000 0.000 0.246 309 D C -1.369 174.952 176.300 0.036 0.000 1.114 309 D CA -2.101 51.913 54.000 0.024 0.000 0.854 309 D CB 2.447 43.278 40.800 0.052 0.000 1.132 309 D HN 0.210 nan 8.370 nan 0.000 0.461 310 P HA -0.011 nan 4.420 nan 0.000 0.242 310 P C 0.765 178.143 177.300 0.129 0.000 1.197 310 P CA 0.500 63.646 63.100 0.078 0.000 0.765 310 P CB 0.394 32.135 31.700 0.068 0.000 0.936 311 M N -1.626 118.020 119.600 0.077 0.000 2.279 311 M HA 0.189 4.668 4.480 -0.000 0.000 0.306 311 M C 0.655 176.840 176.300 -0.192 0.000 0.965 311 M CA 0.326 55.641 55.300 0.024 0.000 1.038 311 M CB 0.838 33.470 32.600 0.052 0.000 1.636 311 M HN -0.107 nan 8.290 nan 0.000 0.574 312 R N 0.665 121.124 120.500 -0.067 0.000 2.647 312 R HA 0.279 4.619 4.340 -0.000 0.000 0.295 312 R C -2.584 173.761 176.300 0.075 0.000 1.267 312 R CA -1.300 54.779 56.100 -0.036 0.000 1.386 312 R CB 0.532 30.938 30.300 0.177 0.000 1.309 312 R HN -0.051 nan 8.270 nan 0.000 0.692 313 P HA -0.106 nan 4.420 nan 0.000 0.256 313 P C -0.017 177.290 177.300 0.012 0.000 1.173 313 P CA 0.786 63.828 63.100 -0.096 0.000 0.768 313 P CB 0.439 31.964 31.700 -0.291 0.000 0.758 314 L N 3.261 124.680 121.223 0.327 0.000 2.475 314 L HA 0.275 4.615 4.340 -0.000 0.000 0.253 314 L C 0.863 178.258 176.870 0.875 0.000 1.198 314 L CA -0.605 54.642 54.840 0.678 0.000 0.814 314 L CB 0.101 42.494 42.059 0.557 0.000 1.134 314 L HN 0.224 nan 8.230 nan 0.000 0.478 315 L N 1.418 123.194 121.223 0.922 0.000 2.325 315 L HA 0.380 4.720 4.340 -0.000 0.000 0.279 315 L C -2.139 175.083 176.870 0.586 0.000 1.054 315 L CA -1.802 53.507 54.840 0.783 0.000 0.804 315 L CB 1.843 44.246 42.059 0.574 0.000 1.200 315 L HN 0.261 nan 8.230 nan 0.000 0.436 316 P HA 0.019 nan 4.420 nan 0.000 0.262 316 P C -2.165 175.139 177.300 0.008 0.000 1.182 316 P CA -0.685 62.321 63.100 -0.157 0.000 0.761 316 P CB 0.126 31.755 31.700 -0.119 0.000 0.795 317 P HA -0.158 nan 4.420 nan 0.000 0.247 317 P C 0.918 178.338 177.300 0.199 0.000 1.215 317 P CA 1.145 64.409 63.100 0.274 0.000 0.752 317 P CB -0.143 31.625 31.700 0.114 0.000 0.927 318 Q N -1.625 118.214 119.800 0.066 0.000 2.392 318 Q HA 0.023 4.363 4.340 -0.000 0.000 0.219 318 Q C 1.674 177.679 176.000 0.009 0.000 0.895 318 Q CA 0.375 56.197 55.803 0.032 0.000 0.929 318 Q CB 0.195 28.930 28.738 -0.007 0.000 1.077 318 Q HN 0.156 nan 8.270 nan 0.000 0.532 319 S N 0.690 116.395 115.700 0.008 0.000 2.355 319 S HA -0.128 4.342 4.470 -0.000 0.000 0.222 319 S C 1.639 176.159 174.600 -0.133 0.000 1.031 319 S CA 1.222 59.407 58.200 -0.025 0.000 0.993 319 S CB -0.023 63.194 63.200 0.028 0.000 0.859 319 S HN 0.261 nan 8.310 nan 0.000 0.453 320 L N -1.568 119.487 121.223 -0.280 0.000 2.388 320 L HA 0.322 4.662 4.340 -0.000 0.000 0.209 320 L C 0.600 177.079 176.870 -0.652 0.000 1.061 320 L CA 0.233 54.696 54.840 -0.628 0.000 0.834 320 L CB -0.280 41.086 42.059 -1.156 0.000 1.029 320 L HN 0.284 nan 8.230 nan 0.000 0.473 321 W N 1.255 122.497 121.300 -0.097 0.000 2.570 321 W HA 0.563 5.223 4.660 -0.000 0.000 0.337 321 W C -0.464 175.984 176.519 -0.118 0.000 1.067 321 W CA -1.264 55.990 57.345 -0.152 0.000 1.229 321 W CB 1.210 30.506 29.460 -0.273 0.000 1.355 321 W HN -0.179 nan 8.180 nan 0.000 0.555 322 L N 2.748 124.046 121.223 0.123 0.000 2.439 322 L HA 0.327 4.667 4.340 -0.000 0.000 0.269 322 L C 0.900 177.804 176.870 0.057 0.000 1.179 322 L CA -0.401 54.486 54.840 0.078 0.000 0.828 322 L CB 0.143 42.256 42.059 0.090 0.000 1.106 322 L HN 0.281 nan 8.230 nan 0.000 0.467 323 R N 1.111 121.638 120.500 0.046 0.000 2.500 323 R HA 0.174 4.513 4.340 -0.000 0.000 0.275 323 R C 1.067 177.407 176.300 0.065 0.000 1.051 323 R CA -0.686 55.430 56.100 0.027 0.000 1.088 323 R CB 1.199 31.507 30.300 0.014 0.000 1.063 323 R HN 0.426 nan 8.270 nan 0.000 0.511 324 V N 2.111 122.070 119.914 0.074 0.000 2.527 324 V HA -0.301 3.819 4.120 -0.000 0.000 0.255 324 V C 1.020 177.233 176.094 0.198 0.000 1.081 324 V CA 2.086 64.495 62.300 0.181 0.000 1.092 324 V CB -0.740 31.156 31.823 0.120 0.000 0.673 324 V HN 0.745 nan 8.190 nan 0.000 0.470 325 D N 0.781 121.231 120.400 0.083 0.000 2.095 325 D HA -0.218 4.422 4.640 -0.000 0.000 0.192 325 D C 2.129 178.485 176.300 0.093 0.000 0.990 325 D CA 1.775 55.807 54.000 0.053 0.000 0.836 325 D CB -0.355 40.454 40.800 0.016 0.000 0.979 325 D HN 0.729 nan 8.370 nan 0.000 0.447 326 E N 0.363 120.607 120.200 0.073 0.000 2.516 326 E HA -0.069 4.281 4.350 -0.000 0.000 0.199 326 E C 1.772 178.414 176.600 0.071 0.000 1.069 326 E CA 0.157 56.591 56.400 0.057 0.000 0.876 326 E CB -0.060 29.661 29.700 0.035 0.000 0.843 326 E HN 0.223 nan 8.360 nan 0.000 0.530 327 L N 0.386 121.690 121.223 0.136 0.000 2.023 327 L HA 0.012 4.352 4.340 -0.000 0.000 0.205 327 L C 1.843 178.726 176.870 0.021 0.000 1.073 327 L CA 1.603 56.511 54.840 0.114 0.000 0.745 327 L CB -0.573 41.560 42.059 0.124 0.000 0.900 327 L HN -0.034 nan 8.230 nan 0.000 0.435 328 F N -0.542 119.407 119.950 -0.002 0.000 2.546 328 F HA -0.055 4.472 4.527 -0.000 0.000 0.298 328 F C 2.733 178.500 175.800 -0.055 0.000 1.120 328 F CA 1.101 59.091 58.000 -0.016 0.000 1.456 328 F CB -0.949 38.046 39.000 -0.008 0.000 1.088 328 F HN 0.217 nan 8.300 nan 0.000 0.572 329 S N 0.356 116.114 115.700 0.096 0.000 2.361 329 S HA -0.240 4.230 4.470 -0.000 0.000 0.214 329 S C 1.918 176.455 174.600 -0.105 0.000 1.034 329 S CA 1.425 59.626 58.200 0.002 0.000 1.025 329 S CB -0.388 62.809 63.200 -0.006 0.000 0.996 329 S HN 0.421 nan 8.310 nan 0.000 0.422 330 E N -0.058 120.000 120.200 -0.237 0.000 2.526 330 E HA 0.013 4.363 4.350 -0.000 0.000 0.198 330 E C 1.261 177.467 176.600 -0.657 0.000 1.091 330 E CA 0.007 56.125 56.400 -0.470 0.000 0.880 330 E CB 0.016 29.283 29.700 -0.722 0.000 0.873 330 E HN 0.348 nan 8.360 nan 0.000 0.527 331 L N -0.147 120.860 121.223 -0.360 0.000 2.357 331 L HA 0.119 4.458 4.340 -0.000 0.000 0.211 331 L C 2.100 178.955 176.870 -0.026 0.000 1.075 331 L CA 1.588 56.304 54.840 -0.207 0.000 0.830 331 L CB -0.307 41.637 42.059 -0.192 0.000 0.996 331 L HN -0.041 nan 8.230 nan 0.000 0.467 332 K N -0.513 119.873 120.400 -0.024 0.000 2.439 332 K HA 0.010 4.330 4.320 -0.000 0.000 0.197 332 K C 1.382 177.965 176.600 -0.029 0.000 1.041 332 K CA 1.308 57.598 56.287 0.005 0.000 0.970 332 K CB -1.070 31.436 32.500 0.010 0.000 0.773 332 K HN 0.555 nan 8.250 nan 0.000 0.479 333 N N -0.886 117.780 118.700 -0.057 0.000 2.398 333 N HA 0.018 4.758 4.740 -0.000 0.000 0.188 333 N C -0.515 174.793 175.510 -0.336 0.000 1.122 333 N CA 0.091 53.011 53.050 -0.217 0.000 0.866 333 N CB 0.255 38.540 38.487 -0.337 0.000 0.970 333 N HN 0.559 nan 8.380 nan 0.000 0.462 334 W N 1.278 122.521 121.300 -0.094 0.000 2.819 334 W HA 0.354 5.014 4.660 -0.000 0.000 0.337 334 W C -2.558 173.950 176.519 -0.020 0.000 1.077 334 W CA -1.738 55.584 57.345 -0.039 0.000 1.226 334 W CB 1.844 31.288 29.460 -0.026 0.000 1.419 334 W HN -0.233 nan 8.180 nan 0.000 0.502 335 P HA 0.210 nan 4.420 nan 0.000 0.276 335 P C -0.931 176.443 177.300 0.123 0.000 1.230 335 P CA 0.047 63.217 63.100 0.117 0.000 0.776 335 P CB 0.617 32.372 31.700 0.092 0.000 0.888 336 R N 0.912 121.455 120.500 0.072 0.000 2.538 336 R HA 0.539 4.879 4.340 -0.000 0.000 0.292 336 R C -1.452 174.857 176.300 0.015 0.000 1.008 336 R CA -1.022 55.107 56.100 0.048 0.000 0.896 336 R CB 0.716 31.046 30.300 0.050 0.000 1.187 336 R HN 0.022 nan 8.270 nan 0.000 0.440 337 V N 3.632 123.541 119.914 -0.008 0.000 2.222 337 V HA 0.082 4.202 4.120 -0.000 0.000 0.253 337 V C 0.378 176.461 176.094 -0.019 0.000 1.210 337 V CA -0.315 61.965 62.300 -0.032 0.000 1.079 337 V CB 0.068 31.851 31.823 -0.066 0.000 1.265 337 V HN 0.723 nan 8.190 nan 0.000 0.494 338 Q N 2.868 122.667 119.800 -0.002 0.000 2.361 338 Q HA 0.334 4.673 4.340 -0.000 0.000 0.276 338 Q C -0.536 175.461 176.000 -0.004 0.000 1.022 338 Q CA 0.226 56.030 55.803 0.002 0.000 0.898 338 Q CB 0.897 29.645 28.738 0.017 0.000 1.246 338 Q HN 0.594 nan 8.270 nan 0.000 0.410 339 L N 1.678 122.896 121.223 -0.010 0.000 2.309 339 L HA 0.672 5.012 4.340 -0.000 0.000 0.282 339 L C 0.037 176.900 176.870 -0.012 0.000 1.036 339 L CA -0.437 54.391 54.840 -0.019 0.000 0.806 339 L CB 1.123 43.160 42.059 -0.035 0.000 1.220 339 L HN 0.584 nan 8.230 nan 0.000 0.429 340 K N -0.570 119.824 120.400 -0.010 0.000 2.498 340 K HA 0.579 4.899 4.320 -0.000 0.000 0.254 340 K C 0.194 176.789 176.600 -0.010 0.000 0.933 340 K CA -0.113 56.171 56.287 -0.004 0.000 0.806 340 K CB 1.506 34.011 32.500 0.009 0.000 1.301 340 K HN 0.697 nan 8.250 nan 0.000 0.432 341 T N -2.694 111.853 114.554 -0.012 0.000 3.040 341 T HA 0.385 4.735 4.350 -0.000 0.000 0.250 341 T C 0.865 175.566 174.700 0.002 0.000 1.058 341 T CA 1.078 63.170 62.100 -0.013 0.000 0.988 341 T CB 0.064 68.918 68.868 -0.024 0.000 0.993 341 T HN 1.066 nan 8.240 nan 0.000 0.519 342 E N 0.426 120.629 120.200 0.006 0.000 2.504 342 E HA 0.608 4.958 4.350 -0.000 0.000 0.253 342 E C -0.093 176.517 176.600 0.017 0.000 1.151 342 E CA -0.373 56.033 56.400 0.011 0.000 0.972 342 E CB -0.531 29.174 29.700 0.008 0.000 1.247 342 E HN 0.907 nan 8.360 nan 0.000 0.519 343 H N -2.185 116.895 119.070 0.017 0.000 2.458 343 H HA 0.833 5.389 4.556 -0.000 0.000 0.330 343 H C 0.111 175.449 175.328 0.017 0.000 1.111 343 H CA -0.068 55.991 56.048 0.019 0.000 1.245 343 H CB 0.656 30.429 29.762 0.017 0.000 1.456 343 H HN 1.404 nan 8.280 nan 0.000 0.488 344 L N 1.911 123.145 121.223 0.019 0.000 2.171 344 L HA 0.935 5.275 4.340 -0.000 0.000 0.253 344 L C -1.690 175.190 176.870 0.017 0.000 1.054 344 L CA -1.784 53.067 54.840 0.018 0.000 0.927 344 L CB -0.209 41.864 42.059 0.023 0.000 1.513 344 L HN 0.791 nan 8.230 nan 0.000 0.471 345 P HA 0.378 nan 4.420 nan 0.000 0.310 345 P C 0.471 177.780 177.300 0.014 0.000 1.309 345 P CA 0.507 63.615 63.100 0.013 0.000 0.753 345 P CB 0.238 31.946 31.700 0.012 0.000 1.491 346 T N -2.282 112.278 114.554 0.010 0.000 3.001 346 T HA 0.075 4.425 4.350 -0.000 0.000 0.251 346 T C 0.039 174.746 174.700 0.010 0.000 1.040 346 T CA -0.206 61.899 62.100 0.008 0.000 0.985 346 T CB -0.204 68.664 68.868 0.000 0.000 1.011 346 T HN 0.244 nan 8.240 nan 0.000 0.509 347 K N 2.474 122.883 120.400 0.014 0.000 2.326 347 K HA -0.129 4.191 4.320 -0.000 0.000 0.245 347 K C 1.588 178.202 176.600 0.024 0.000 1.229 347 K CA 0.079 56.376 56.287 0.018 0.000 1.238 347 K CB -0.131 32.383 32.500 0.023 0.000 0.730 347 K HN 0.296 nan 8.250 nan 0.000 0.524 348 A N 4.175 127.003 122.820 0.014 0.000 1.920 348 A HA -0.392 3.928 4.320 -0.000 0.000 0.229 348 A C 2.292 179.899 177.584 0.039 0.000 1.516 348 A CA 2.797 54.840 52.037 0.010 0.000 0.714 348 A CB -1.010 17.993 19.000 0.006 0.000 0.845 348 A HN 0.896 nan 8.150 nan 0.000 0.493 349 A N -0.636 122.222 122.820 0.062 0.000 1.908 349 A HA -0.105 4.215 4.320 -0.000 0.000 0.218 349 A C 1.219 178.890 177.584 0.144 0.000 1.181 349 A CA 1.386 53.489 52.037 0.110 0.000 0.627 349 A CB -0.582 18.465 19.000 0.079 0.000 0.818 349 A HN 0.708 nan 8.150 nan 0.000 0.445 350 N N -0.613 118.145 118.700 0.097 0.000 2.445 350 N HA 0.606 5.346 4.740 -0.000 0.000 0.264 350 N C -0.169 175.402 175.510 0.101 0.000 1.227 350 N CA 0.693 53.801 53.050 0.096 0.000 0.963 350 N CB 1.189 39.712 38.487 0.060 0.000 1.188 350 N HN 0.501 nan 8.380 nan 0.000 0.491 351 A N 0.353 123.236 122.820 0.104 0.000 2.515 351 A HA 0.545 4.865 4.320 -0.000 0.000 0.299 351 A C -1.575 176.052 177.584 0.072 0.000 1.179 351 A CA -0.779 51.310 52.037 0.086 0.000 0.656 351 A CB 1.061 20.136 19.000 0.125 0.000 1.306 351 A HN 0.602 nan 8.150 nan 0.000 0.459 352 N N 0.140 118.874 118.700 0.057 0.000 2.648 352 N HA 0.380 5.120 4.740 -0.000 0.000 0.261 352 N C 1.108 176.648 175.510 0.050 0.000 1.138 352 N CA 0.418 53.498 53.050 0.051 0.000 0.804 352 N CB 1.242 39.748 38.487 0.033 0.000 1.237 352 N HN 1.005 nan 8.380 nan 0.000 0.532 353 L N 0.934 122.204 121.223 0.079 0.000 2.051 353 L HA 0.004 4.344 4.340 -0.000 0.000 0.214 353 L C 1.372 178.238 176.870 -0.008 0.000 1.076 353 L CA 2.173 57.056 54.840 0.073 0.000 0.758 353 L CB -1.634 40.518 42.059 0.156 0.000 0.890 353 L HN 0.730 nan 8.230 nan 0.000 0.433 354 G N -1.873 106.935 108.800 0.014 0.000 3.026 354 G HA2 -0.030 3.930 3.960 -0.000 0.000 0.252 354 G HA3 -0.030 3.930 3.960 -0.000 0.000 0.252 354 G C -0.573 174.202 174.900 -0.208 0.000 1.070 354 G CA -0.128 44.933 45.100 -0.064 0.000 1.183 354 G HN 0.903 nan 8.290 nan 0.000 0.571 355 F N 0.574 120.500 119.950 -0.040 0.000 2.449 355 F HA 0.722 5.248 4.527 -0.000 0.000 0.342 355 F C 0.604 176.410 175.800 0.010 0.000 1.127 355 F CA 0.317 58.284 58.000 -0.056 0.000 0.975 355 F CB 1.906 40.803 39.000 -0.173 0.000 1.146 355 F HN 0.724 nan 8.300 nan 0.000 0.444 356 Q N 3.238 123.153 119.800 0.193 0.000 2.235 356 Q HA 0.474 4.814 4.340 -0.000 0.000 0.250 356 Q C -0.163 175.967 176.000 0.218 0.000 0.909 356 Q CA -1.073 54.837 55.803 0.180 0.000 0.910 356 Q CB 1.095 29.929 28.738 0.159 0.000 1.223 356 Q HN 0.638 nan 8.270 nan 0.000 0.432 357 K N 0.275 120.766 120.400 0.151 0.000 2.229 357 K HA 0.388 4.708 4.320 -0.000 0.000 0.250 357 K C -0.605 176.068 176.600 0.121 0.000 1.016 357 K CA -0.158 56.202 56.287 0.121 0.000 0.866 357 K CB 0.272 32.819 32.500 0.079 0.000 1.028 357 K HN 0.630 nan 8.250 nan 0.000 0.514 358 L N 3.822 125.086 121.223 0.069 0.000 2.298 358 L HA 0.490 4.830 4.340 -0.000 0.000 0.284 358 L C -2.274 174.573 176.870 -0.040 0.000 1.013 358 L CA -1.653 53.189 54.840 0.004 0.000 0.824 358 L CB 0.955 42.990 42.059 -0.040 0.000 1.221 358 L HN 0.640 nan 8.230 nan 0.000 0.418 359 P HA 0.288 nan 4.420 nan 0.000 0.281 359 P C -0.651 176.547 177.300 -0.171 0.000 1.249 359 P CA -0.092 62.976 63.100 -0.054 0.000 0.810 359 P CB 0.516 32.246 31.700 0.050 0.000 1.008 360 D N 0.859 121.197 120.400 -0.104 0.000 3.968 360 D HA -0.098 4.542 4.640 -0.000 0.000 0.171 360 D C 0.438 176.612 176.300 -0.210 0.000 1.016 360 D CA 0.840 54.769 54.000 -0.118 0.000 0.663 360 D CB -0.446 40.321 40.800 -0.055 0.000 1.137 360 D HN 0.533 nan 8.370 nan 0.000 0.571 361 L N 0.673 121.781 121.223 -0.192 0.000 3.443 361 L HA 0.481 4.821 4.340 -0.000 0.000 0.358 361 L C 0.972 177.752 176.870 -0.150 0.000 1.338 361 L CA -0.231 54.480 54.840 -0.214 0.000 0.905 361 L CB 0.111 41.977 42.059 -0.322 0.000 1.317 361 L HN 0.812 nan 8.230 nan 0.000 0.602 362 A N 0.188 122.941 122.820 -0.113 0.000 2.332 362 A HA 0.617 4.937 4.320 -0.000 0.000 0.258 362 A C 0.030 177.558 177.584 -0.094 0.000 1.087 362 A CA -0.076 51.901 52.037 -0.100 0.000 0.802 362 A CB 0.856 19.810 19.000 -0.077 0.000 1.042 362 A HN 0.021 nan 8.150 nan 0.000 0.489 363 V N 3.138 122.989 119.914 -0.105 0.000 2.257 363 V HA 0.192 4.312 4.120 -0.000 0.000 0.269 363 V C -0.167 175.873 176.094 -0.090 0.000 1.040 363 V CA -0.124 62.116 62.300 -0.100 0.000 0.813 363 V CB 0.282 32.029 31.823 -0.125 0.000 1.065 363 V HN 0.910 nan 8.190 nan 0.000 0.457 364 Q N 2.834 122.593 119.800 -0.069 0.000 2.331 364 Q HA 0.529 4.869 4.340 -0.000 0.000 0.257 364 Q C 0.890 176.852 176.000 -0.063 0.000 0.957 364 Q CA -0.206 55.560 55.803 -0.062 0.000 0.923 364 Q CB 1.942 30.652 28.738 -0.047 0.000 1.212 364 Q HN 0.773 nan 8.270 nan 0.000 0.443 365 A N 2.964 125.743 122.820 -0.069 0.000 2.218 365 A HA -0.116 4.204 4.320 -0.000 0.000 0.209 365 A C 1.627 179.157 177.584 -0.090 0.000 1.168 365 A CA 0.328 52.321 52.037 -0.074 0.000 0.804 365 A CB 0.050 19.009 19.000 -0.068 0.000 0.834 365 A HN 0.833 nan 8.150 nan 0.000 0.482 366 Q N -0.551 119.205 119.800 -0.074 0.000 2.331 366 Q HA 0.036 4.376 4.340 -0.000 0.000 0.203 366 Q C 0.126 176.080 176.000 -0.076 0.000 0.944 366 Q CA 0.258 56.014 55.803 -0.078 0.000 0.892 366 Q CB -0.170 28.540 28.738 -0.047 0.000 0.983 366 Q HN 0.479 nan 8.270 nan 0.000 0.482 367 Q N 0.727 120.489 119.800 -0.063 0.000 2.306 367 Q HA 0.188 4.528 4.340 -0.000 0.000 0.241 367 Q C 1.162 177.127 176.000 -0.059 0.000 0.948 367 Q CA 0.608 56.381 55.803 -0.050 0.000 0.886 367 Q CB 0.895 29.611 28.738 -0.036 0.000 1.227 367 Q HN 0.280 nan 8.270 nan 0.000 0.457 368 K N 0.943 121.315 120.400 -0.047 0.000 2.097 368 K HA 0.078 4.398 4.320 -0.000 0.000 0.206 368 K C 0.965 177.546 176.600 -0.032 0.000 1.049 368 K CA 1.627 57.887 56.287 -0.044 0.000 0.933 368 K CB -0.134 32.349 32.500 -0.029 0.000 0.717 368 K HN 0.676 nan 8.250 nan 0.000 0.442 369 A N 1.542 124.348 122.820 -0.023 0.000 2.511 369 A HA 0.525 4.844 4.320 -0.000 0.000 0.340 369 A C -1.706 175.867 177.584 -0.019 0.000 1.396 369 A CA -1.168 50.861 52.037 -0.013 0.000 0.887 369 A CB 1.019 20.017 19.000 -0.002 0.000 1.145 369 A HN 0.198 nan 8.150 nan 0.000 0.497 370 P HA -0.081 nan 4.420 nan 0.000 0.226 370 P C 0.597 177.877 177.300 -0.033 0.000 1.153 370 P CA 0.892 63.969 63.100 -0.037 0.000 0.777 370 P CB 0.253 31.927 31.700 -0.043 0.000 0.794 371 L N -0.622 120.590 121.223 -0.018 0.000 2.818 371 L HA 0.163 4.503 4.340 -0.000 0.000 0.243 371 L C 2.034 178.909 176.870 0.008 0.000 1.185 371 L CA -0.160 54.674 54.840 -0.010 0.000 0.988 371 L CB -0.488 41.571 42.059 0.000 0.000 1.292 371 L HN -0.063 nan 8.230 nan 0.000 0.519 372 D N 1.863 122.266 120.400 0.006 0.000 2.240 372 D HA -0.291 4.349 4.640 -0.000 0.000 0.204 372 D C 2.051 178.370 176.300 0.033 0.000 1.018 372 D CA 2.043 56.055 54.000 0.020 0.000 0.887 372 D CB 0.379 41.186 40.800 0.012 0.000 1.087 372 D HN 0.250 nan 8.370 nan 0.000 0.464 373 A N 0.628 123.458 122.820 0.017 0.000 1.944 373 A HA -0.272 4.048 4.320 -0.000 0.000 0.222 373 A C 2.341 179.953 177.584 0.047 0.000 1.237 373 A CA 2.546 54.595 52.037 0.020 0.000 0.668 373 A CB -1.183 17.802 19.000 -0.025 0.000 0.830 373 A HN 0.473 nan 8.150 nan 0.000 0.471 374 L N -0.755 120.488 121.223 0.033 0.000 1.961 374 L HA -0.077 4.263 4.340 -0.000 0.000 0.209 374 L C 2.505 179.469 176.870 0.156 0.000 1.075 374 L CA 2.506 57.394 54.840 0.079 0.000 0.749 374 L CB -0.779 41.303 42.059 0.039 0.000 0.890 374 L HN 0.481 nan 8.230 nan 0.000 0.433 375 R N -0.220 120.348 120.500 0.113 0.000 2.174 375 R HA -0.274 4.065 4.340 -0.000 0.000 0.253 375 R C 2.392 178.767 176.300 0.124 0.000 1.165 375 R CA 2.119 58.287 56.100 0.113 0.000 0.984 375 R CB -0.324 30.021 30.300 0.075 0.000 0.873 375 R HN 0.494 nan 8.270 nan 0.000 0.456 376 K N -0.684 119.796 120.400 0.133 0.000 2.103 376 K HA -0.165 4.155 4.320 -0.000 0.000 0.204 376 K C 1.854 178.568 176.600 0.190 0.000 1.052 376 K CA 1.263 57.632 56.287 0.135 0.000 0.945 376 K CB -0.205 32.371 32.500 0.127 0.000 0.722 376 K HN 0.133 nan 8.250 nan 0.000 0.443 377 F N 1.400 121.387 119.950 0.063 0.000 2.163 377 F HA -0.107 4.420 4.527 -0.000 0.000 0.297 377 F C 1.839 177.699 175.800 0.099 0.000 1.094 377 F CA 0.763 58.810 58.000 0.078 0.000 1.290 377 F CB -0.230 38.801 39.000 0.052 0.000 1.017 377 F HN -0.034 nan 8.300 nan 0.000 0.483 378 L N 0.435 121.818 121.223 0.267 0.000 2.129 378 L HA -0.251 4.088 4.340 -0.000 0.000 0.212 378 L C 2.356 179.273 176.870 0.077 0.000 1.087 378 L CA 2.025 56.961 54.840 0.159 0.000 0.757 378 L CB -0.762 41.389 42.059 0.154 0.000 0.896 378 L HN 0.303 nan 8.230 nan 0.000 0.434 379 E N -2.111 118.128 120.200 0.065 0.000 2.307 379 E HA -0.073 4.277 4.350 -0.000 0.000 0.195 379 E C 1.531 178.127 176.600 -0.007 0.000 0.975 379 E CA 0.877 57.294 56.400 0.028 0.000 0.878 379 E CB 0.286 30.008 29.700 0.036 0.000 0.845 379 E HN 0.401 nan 8.360 nan 0.000 0.488 380 T N 0.356 114.892 114.554 -0.030 0.000 3.054 380 T HA 0.044 4.394 4.350 -0.000 0.000 0.259 380 T C 0.098 174.718 174.700 -0.133 0.000 1.092 380 T CA -0.052 62.001 62.100 -0.079 0.000 1.121 380 T CB -0.087 68.738 68.868 -0.072 0.000 0.912 380 T HN 0.033 nan 8.240 nan 0.000 0.489 381 F N 3.433 123.158 119.950 -0.375 0.000 2.438 381 F HA 0.208 4.734 4.527 -0.000 0.000 0.360 381 F C 1.113 176.796 175.800 -0.196 0.000 1.118 381 F CA -1.559 56.218 58.000 -0.372 0.000 1.164 381 F CB 0.182 38.896 39.000 -0.478 0.000 1.131 381 F HN -0.023 nan 8.300 nan 0.000 0.527 382 D N 3.699 123.784 120.400 -0.525 0.000 2.242 382 D HA -0.193 4.447 4.640 -0.000 0.000 0.193 382 D C 1.491 177.615 176.300 -0.294 0.000 1.005 382 D CA 1.768 55.542 54.000 -0.377 0.000 0.856 382 D CB -0.362 40.199 40.800 -0.399 0.000 1.001 382 D HN 0.655 nan 8.370 nan 0.000 0.452 383 G N 1.111 109.665 108.800 -0.411 0.000 2.441 383 G HA2 0.166 4.126 3.960 -0.000 0.000 0.258 383 G HA3 0.166 4.126 3.960 -0.000 0.000 0.258 383 G C -2.281 172.643 174.900 0.041 0.000 1.487 383 G CA -0.339 44.666 45.100 -0.159 0.000 1.058 383 G HN 0.165 nan 8.290 nan 0.000 0.552 384 P HA 0.424 nan 4.420 nan 0.000 0.278 384 P C -1.060 176.348 177.300 0.179 0.000 1.266 384 P CA -0.327 62.834 63.100 0.102 0.000 0.807 384 P CB 1.780 33.512 31.700 0.054 0.000 1.094 385 V N 0.439 120.358 119.914 0.008 0.000 2.655 385 V HA 0.164 4.284 4.120 -0.000 0.000 0.301 385 V C 0.090 176.061 176.094 -0.204 0.000 1.082 385 V CA -0.802 61.440 62.300 -0.097 0.000 0.899 385 V CB 2.069 33.788 31.823 -0.173 0.000 1.014 385 V HN 0.245 nan 8.190 nan 0.000 0.429 386 V N 4.879 124.741 119.914 -0.086 0.000 2.498 386 V HA 0.419 4.539 4.120 -0.000 0.000 0.279 386 V C -0.273 175.903 176.094 0.137 0.000 1.048 386 V CA -0.053 62.238 62.300 -0.014 0.000 0.967 386 V CB 1.301 33.163 31.823 0.065 0.000 0.988 386 V HN 0.733 nan 8.190 nan 0.000 0.473 387 F N 3.261 123.215 119.950 0.006 0.000 2.293 387 F HA 0.475 5.002 4.527 -0.000 0.000 0.370 387 F C 0.937 176.736 175.800 -0.002 0.000 1.090 387 F CA -0.690 57.305 58.000 -0.009 0.000 1.133 387 F CB 0.960 39.959 39.000 -0.002 0.000 1.360 387 F HN 0.660 nan 8.300 nan 0.000 0.489 388 S N 3.313 119.112 115.700 0.166 0.000 2.528 388 S HA 0.610 5.080 4.470 -0.000 0.000 0.277 388 S C -0.260 174.358 174.600 0.030 0.000 1.297 388 S CA -0.340 57.909 58.200 0.082 0.000 1.052 388 S CB 0.940 64.177 63.200 0.062 0.000 0.917 388 S HN 0.322 nan 8.310 nan 0.000 0.492 389 V N 2.601 122.527 119.914 0.020 0.000 3.040 389 V HA 0.380 4.500 4.120 -0.000 0.000 0.312 389 V C 0.601 176.691 176.094 -0.006 0.000 1.115 389 V CA -0.584 61.715 62.300 -0.002 0.000 0.998 389 V CB 1.944 33.771 31.823 0.006 0.000 1.042 389 V HN 1.049 nan 8.190 nan 0.000 0.433 390 E N 1.150 121.344 120.200 -0.010 0.000 2.190 390 E HA 0.260 4.610 4.350 -0.000 0.000 0.191 390 E C 0.646 177.246 176.600 0.001 0.000 0.978 390 E CA 0.927 57.324 56.400 -0.006 0.000 0.839 390 E CB 0.640 30.337 29.700 -0.004 0.000 0.787 390 E HN 0.888 nan 8.360 nan 0.000 0.473 391 S N 0.280 115.982 115.700 0.004 0.000 2.618 391 S HA 0.294 4.764 4.470 -0.000 0.000 0.277 391 S C 0.327 174.935 174.600 0.014 0.000 1.138 391 S CA -0.610 57.597 58.200 0.011 0.000 0.844 391 S CB 1.527 64.735 63.200 0.014 0.000 1.127 391 S HN -0.113 nan 8.310 nan 0.000 0.474 392 E N 0.935 121.146 120.200 0.018 0.000 2.265 392 E HA 0.028 4.378 4.350 -0.000 0.000 0.196 392 E C 1.632 178.245 176.600 0.021 0.000 0.996 392 E CA 1.954 58.366 56.400 0.021 0.000 0.832 392 E CB -0.421 29.292 29.700 0.022 0.000 0.756 392 E HN 0.755 nan 8.360 nan 0.000 0.491 393 G N -0.778 108.034 108.800 0.020 0.000 2.777 393 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.211 393 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.211 393 G C 1.675 176.585 174.900 0.016 0.000 1.149 393 G CA -0.013 45.100 45.100 0.022 0.000 0.785 393 G HN 0.043 nan 8.290 nan 0.000 0.536 394 R N 0.130 120.637 120.500 0.011 0.000 2.246 394 R HA 0.262 4.602 4.340 -0.000 0.000 0.199 394 R C 2.321 178.619 176.300 -0.002 0.000 0.984 394 R CA 0.085 56.184 56.100 -0.001 0.000 1.015 394 R CB -0.319 29.977 30.300 -0.007 0.000 0.930 394 R HN 0.171 nan 8.270 nan 0.000 0.475 395 R N 0.777 121.284 120.500 0.012 0.000 2.062 395 R HA -0.086 4.254 4.340 -0.000 0.000 0.231 395 R C 1.451 177.762 176.300 0.019 0.000 1.136 395 R CA 1.788 57.901 56.100 0.021 0.000 0.948 395 R CB -0.303 30.016 30.300 0.031 0.000 0.845 395 R HN 0.300 nan 8.270 nan 0.000 0.430 396 E N -0.231 119.981 120.200 0.020 0.000 2.333 396 E HA -0.184 4.166 4.350 -0.000 0.000 0.200 396 E C 1.473 178.080 176.600 0.012 0.000 1.010 396 E CA 1.055 57.468 56.400 0.021 0.000 0.841 396 E CB 0.041 29.756 29.700 0.025 0.000 0.757 396 E HN 0.470 nan 8.360 nan 0.000 0.508 397 A N 0.618 123.438 122.820 -0.001 0.000 1.844 397 A HA -0.073 4.247 4.320 -0.000 0.000 0.212 397 A C 2.059 179.621 177.584 -0.036 0.000 1.221 397 A CA 0.450 52.474 52.037 -0.022 0.000 0.607 397 A CB -0.517 18.461 19.000 -0.036 0.000 0.878 397 A HN 0.278 nan 8.150 nan 0.000 0.451 398 L N 0.075 121.273 121.223 -0.042 0.000 2.079 398 L HA -0.165 4.175 4.340 -0.000 0.000 0.210 398 L C 2.671 179.538 176.870 -0.006 0.000 1.081 398 L CA 2.090 56.896 54.840 -0.057 0.000 0.752 398 L CB -1.737 40.291 42.059 -0.051 0.000 0.896 398 L HN 0.510 nan 8.230 nan 0.000 0.433 399 G N -0.856 107.954 108.800 0.018 0.000 2.475 399 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.220 399 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.220 399 G C 1.560 176.477 174.900 0.029 0.000 1.125 399 G CA 0.892 46.014 45.100 0.036 0.000 0.755 399 G HN 0.515 nan 8.290 nan 0.000 0.565 400 E N -0.562 119.646 120.200 0.013 0.000 2.276 400 E HA 0.064 4.414 4.350 -0.000 0.000 0.193 400 E C 2.264 178.864 176.600 0.000 0.000 0.983 400 E CA -0.102 56.306 56.400 0.012 0.000 0.861 400 E CB -0.060 29.645 29.700 0.008 0.000 0.817 400 E HN 0.309 nan 8.360 nan 0.000 0.485 401 L N 0.852 122.063 121.223 -0.020 0.000 2.217 401 L HA -0.038 4.302 4.340 -0.000 0.000 0.211 401 L C 1.757 178.619 176.870 -0.013 0.000 1.107 401 L CA 1.337 56.154 54.840 -0.039 0.000 0.783 401 L CB 0.013 42.020 42.059 -0.086 0.000 0.919 401 L HN 0.176 nan 8.230 nan 0.000 0.442 402 L N -1.152 120.081 121.223 0.016 0.000 2.298 402 L HA 0.165 4.505 4.340 -0.000 0.000 0.209 402 L C 2.477 179.380 176.870 0.054 0.000 1.084 402 L CA 0.636 55.510 54.840 0.056 0.000 0.816 402 L CB -0.859 41.266 42.059 0.111 0.000 0.967 402 L HN 0.214 nan 8.230 nan 0.000 0.460 403 A N 1.152 123.999 122.820 0.044 0.000 2.245 403 A HA -0.175 4.145 4.320 -0.000 0.000 0.217 403 A C 2.079 179.687 177.584 0.039 0.000 1.171 403 A CA 1.182 53.244 52.037 0.043 0.000 0.688 403 A CB -0.576 18.448 19.000 0.040 0.000 0.781 403 A HN 0.510 nan 8.150 nan 0.000 0.479 404 R N -0.202 120.319 120.500 0.035 0.000 2.334 404 R HA 0.261 4.601 4.340 -0.000 0.000 0.216 404 R C 0.737 177.058 176.300 0.035 0.000 0.905 404 R CA 0.795 56.914 56.100 0.032 0.000 1.064 404 R CB -0.312 30.002 30.300 0.023 0.000 1.046 404 R HN 0.685 nan 8.270 nan 0.000 0.508 405 I N -1.516 119.080 120.570 0.044 0.000 3.833 405 I HA 0.303 4.473 4.170 -0.000 0.000 0.328 405 I C -0.354 175.795 176.117 0.053 0.000 1.554 405 I CA -0.750 60.580 61.300 0.050 0.000 1.116 405 I CB 0.535 38.574 38.000 0.064 0.000 1.182 405 I HN -0.179 nan 8.210 nan 0.000 0.459 406 K N 1.451 121.879 120.400 0.047 0.000 3.363 406 K HA -0.201 4.119 4.320 -0.000 0.000 0.313 406 K C 0.105 176.734 176.600 0.048 0.000 1.259 406 K CA 1.369 57.682 56.287 0.044 0.000 0.942 406 K CB -2.003 30.520 32.500 0.038 0.000 1.229 406 K HN 0.771 nan 8.250 nan 0.000 0.440 407 I N -2.498 118.108 120.570 0.061 0.000 2.412 407 I HA 0.628 4.797 4.170 -0.000 0.000 0.296 407 I C 0.052 176.214 176.117 0.074 0.000 0.987 407 I CA -0.777 60.562 61.300 0.065 0.000 1.180 407 I CB 2.279 40.325 38.000 0.078 0.000 1.340 407 I HN 0.025 nan 8.210 nan 0.000 0.455 408 A N 6.824 129.680 122.820 0.061 0.000 2.360 408 A HA 0.714 5.034 4.320 -0.000 0.000 0.309 408 A C -1.899 175.718 177.584 0.055 0.000 1.311 408 A CA -1.270 50.805 52.037 0.064 0.000 0.805 408 A CB -0.221 18.809 19.000 0.050 0.000 1.144 408 A HN 0.757 nan 8.150 nan 0.000 0.486 409 P HA 0.361 nan 4.420 nan 0.000 0.273 409 P C 0.029 177.349 177.300 0.033 0.000 1.248 409 P CA 0.280 63.404 63.100 0.040 0.000 0.817 409 P CB 0.391 32.146 31.700 0.092 0.000 0.995 410 Q N -0.145 119.666 119.800 0.018 0.000 2.240 410 Q HA 0.504 4.844 4.340 -0.000 0.000 0.260 410 Q C -0.100 175.921 176.000 0.036 0.000 1.018 410 Q CA -0.758 55.059 55.803 0.024 0.000 0.898 410 Q CB 0.786 29.532 28.738 0.014 0.000 1.301 410 Q HN 0.505 nan 8.270 nan 0.000 0.469 411 R N 0.673 121.195 120.500 0.036 0.000 2.230 411 R HA 0.562 4.902 4.340 -0.000 0.000 0.337 411 R C -1.280 175.047 176.300 0.044 0.000 1.063 411 R CA -0.184 55.941 56.100 0.042 0.000 0.935 411 R CB -0.331 29.992 30.300 0.038 0.000 1.121 411 R HN 0.667 nan 8.270 nan 0.000 0.486 412 I N 4.990 125.592 120.570 0.053 0.000 2.389 412 I HA 0.274 4.444 4.170 -0.000 0.000 0.288 412 I C 0.657 176.818 176.117 0.073 0.000 0.999 412 I CA -0.370 60.966 61.300 0.061 0.000 1.129 412 I CB 1.968 40.008 38.000 0.067 0.000 1.288 412 I HN 0.599 nan 8.210 nan 0.000 0.444 413 M N 5.569 125.211 119.600 0.069 0.000 2.383 413 M HA 0.279 4.759 4.480 -0.000 0.000 0.247 413 M C 0.501 176.858 176.300 0.095 0.000 1.117 413 M CA 0.127 55.470 55.300 0.072 0.000 0.995 413 M CB 0.022 32.655 32.600 0.055 0.000 1.480 413 M HN 0.695 nan 8.290 nan 0.000 0.485 414 R N -1.078 119.487 120.500 0.108 0.000 2.888 414 R HA 0.765 5.105 4.340 -0.000 0.000 0.266 414 R C 0.777 177.173 176.300 0.159 0.000 1.020 414 R CA 0.140 56.316 56.100 0.126 0.000 0.963 414 R CB -0.458 29.896 30.300 0.090 0.000 1.197 414 R HN 0.159 nan 8.270 nan 0.000 0.481 415 L N -0.245 121.079 121.223 0.167 0.000 2.013 415 L HA -0.065 4.275 4.340 -0.000 0.000 0.212 415 L C 1.225 178.151 176.870 0.092 0.000 1.073 415 L CA 2.999 57.919 54.840 0.134 0.000 0.753 415 L CB -0.696 41.406 42.059 0.071 0.000 0.890 415 L HN 0.895 nan 8.230 nan 0.000 0.432 416 D N -1.756 118.689 120.400 0.076 0.000 2.527 416 D HA 0.276 4.916 4.640 -0.000 0.000 0.224 416 D C 1.695 178.027 176.300 0.054 0.000 1.217 416 D CA 0.725 54.762 54.000 0.061 0.000 0.819 416 D CB 0.110 40.938 40.800 0.047 0.000 1.061 416 D HN 0.701 nan 8.370 nan 0.000 0.515 417 E N 1.241 121.477 120.200 0.060 0.000 2.501 417 E HA 0.106 4.456 4.350 -0.000 0.000 0.203 417 E C 0.972 177.597 176.600 0.041 0.000 1.072 417 E CA 0.582 57.011 56.400 0.049 0.000 0.885 417 E CB -0.512 29.220 29.700 0.053 0.000 0.813 417 E HN 0.375 nan 8.360 nan 0.000 0.556 418 A N -0.094 122.753 122.820 0.044 0.000 2.362 418 A HA 0.677 4.997 4.320 -0.000 0.000 0.276 418 A C 1.216 178.815 177.584 0.025 0.000 1.153 418 A CA 0.287 52.344 52.037 0.034 0.000 0.813 418 A CB 0.008 19.032 19.000 0.039 0.000 1.081 418 A HN 0.776 nan 8.150 nan 0.000 0.507 419 S N 1.179 116.888 115.700 0.016 0.000 2.688 419 S HA 0.353 4.823 4.470 -0.000 0.000 0.248 419 S C 1.152 175.755 174.600 0.004 0.000 1.361 419 S CA 0.749 58.954 58.200 0.008 0.000 0.979 419 S CB -0.318 62.884 63.200 0.003 0.000 0.947 419 S HN 1.254 nan 8.310 nan 0.000 0.545 420 D N -1.278 119.118 120.400 -0.007 0.000 2.358 420 D HA 0.501 5.141 4.640 -0.000 0.000 0.224 420 D C 0.481 176.767 176.300 -0.023 0.000 1.123 420 D CA 0.762 54.751 54.000 -0.019 0.000 0.833 420 D CB -0.623 40.158 40.800 -0.032 0.000 0.946 420 D HN 0.932 nan 8.370 nan 0.000 0.505 421 R N -0.546 119.948 120.500 -0.011 0.000 2.500 421 R HA 0.684 5.024 4.340 -0.000 0.000 0.299 421 R C 1.519 177.811 176.300 -0.014 0.000 1.038 421 R CA -0.047 56.045 56.100 -0.013 0.000 0.903 421 R CB -0.214 30.076 30.300 -0.016 0.000 1.177 421 R HN 0.848 nan 8.270 nan 0.000 0.455 422 G N -0.116 108.681 108.800 -0.005 0.000 3.147 422 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.301 422 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.301 422 G C 0.847 175.657 174.900 -0.150 0.000 1.053 422 G CA 1.848 46.919 45.100 -0.049 0.000 0.645 422 G HN 1.551 nan 8.290 nan 0.000 0.674 423 R N -1.550 118.886 120.500 -0.107 0.000 2.428 423 R HA 0.782 5.122 4.340 -0.000 0.000 0.294 423 R C -0.374 175.863 176.300 -0.106 0.000 1.000 423 R CA 0.442 56.465 56.100 -0.128 0.000 0.960 423 R CB 0.391 30.658 30.300 -0.054 0.000 1.076 423 R HN 1.923 nan 8.270 nan 0.000 0.475 424 Y N -1.685 118.544 120.300 -0.120 0.000 2.232 424 Y HA 0.579 5.129 4.550 -0.000 0.000 0.316 424 Y C -1.177 174.747 175.900 0.041 0.000 1.345 424 Y CA -1.066 57.014 58.100 -0.033 0.000 1.315 424 Y CB -0.017 38.424 38.460 -0.031 0.000 1.295 424 Y HN 1.868 nan 8.280 nan 0.000 0.412 425 L N 3.812 125.081 121.223 0.076 0.000 2.353 425 L HA 0.922 5.262 4.340 -0.000 0.000 0.270 425 L C -0.317 176.607 176.870 0.090 0.000 1.003 425 L CA -1.147 53.760 54.840 0.111 0.000 0.862 425 L CB 1.023 43.141 42.059 0.098 0.000 1.221 425 L HN 0.956 nan 8.230 nan 0.000 0.430 426 M N 3.102 122.761 119.600 0.098 0.000 2.423 426 M HA 0.695 5.175 4.480 -0.000 0.000 0.335 426 M C -0.738 175.584 176.300 0.037 0.000 1.177 426 M CA -0.556 54.788 55.300 0.073 0.000 1.038 426 M CB 2.116 34.776 32.600 0.101 0.000 1.641 426 M HN 0.614 nan 8.290 nan 0.000 0.455 427 I N 1.722 122.298 120.570 0.010 0.000 2.378 427 I HA 0.768 4.938 4.170 -0.000 0.000 0.291 427 I C 0.287 176.375 176.117 -0.048 0.000 0.992 427 I CA -0.308 60.987 61.300 -0.008 0.000 1.154 427 I CB 1.727 39.730 38.000 0.005 0.000 1.315 427 I HN 0.867 nan 8.210 nan 0.000 0.448 428 G N 3.839 112.607 108.800 -0.054 0.000 2.361 428 G HA2 0.317 4.277 3.960 -0.000 0.000 0.305 428 G HA3 0.317 4.277 3.960 -0.000 0.000 0.305 428 G C -1.002 173.855 174.900 -0.072 0.000 1.367 428 G CA -0.455 44.595 45.100 -0.083 0.000 0.951 428 G HN 0.768 nan 8.290 nan 0.000 0.615 429 A N -0.098 122.686 122.820 -0.061 0.000 2.729 429 A HA 0.518 4.838 4.320 -0.000 0.000 0.291 429 A C 1.223 178.798 177.584 -0.015 0.000 1.574 429 A CA 1.394 53.420 52.037 -0.019 0.000 1.194 429 A CB -0.819 18.186 19.000 0.008 0.000 1.047 429 A HN 2.303 nan 8.150 nan 0.000 0.578 430 A N 2.641 125.462 122.820 0.002 0.000 3.168 430 A HA 0.544 4.864 4.320 -0.000 0.000 0.260 430 A C 1.275 178.903 177.584 0.074 0.000 1.598 430 A CA 0.698 52.758 52.037 0.038 0.000 1.285 430 A CB -0.997 18.015 19.000 0.020 0.000 1.149 430 A HN 1.134 nan 8.150 nan 0.000 0.630 431 E N 1.353 121.617 120.200 0.107 0.000 1.986 431 E HA -0.190 4.160 4.350 -0.000 0.000 0.229 431 E C 0.696 177.377 176.600 0.135 0.000 0.997 431 E CA 1.843 58.299 56.400 0.094 0.000 0.894 431 E CB -1.062 28.712 29.700 0.123 0.000 0.813 431 E HN 1.006 nan 8.360 nan 0.000 0.549 432 H N -3.084 116.016 119.070 0.050 0.000 2.572 432 H HA 0.687 5.243 4.556 -0.000 0.000 0.359 432 H C 0.467 175.829 175.328 0.056 0.000 1.134 432 H CA -1.325 54.745 56.048 0.036 0.000 1.187 432 H CB 1.749 31.527 29.762 0.026 0.000 1.597 432 H HN 0.573 nan 8.280 nan 0.000 0.524 433 G N 0.966 109.825 108.800 0.099 0.000 2.543 433 G HA2 0.461 4.421 3.960 -0.000 0.000 0.290 433 G HA3 0.461 4.421 3.960 -0.000 0.000 0.290 433 G C -0.951 173.967 174.900 0.030 0.000 1.310 433 G CA -0.534 44.541 45.100 -0.042 0.000 1.025 433 G HN 0.641 nan 8.290 nan 0.000 0.502 434 F N -3.729 116.257 119.950 0.059 0.000 3.016 434 F HA 0.776 5.303 4.527 -0.000 0.000 0.324 434 F C -0.654 175.215 175.800 0.115 0.000 1.196 434 F CA -1.594 56.460 58.000 0.090 0.000 0.929 434 F CB 1.386 40.469 39.000 0.139 0.000 1.440 434 F HN 0.893 nan 8.300 nan 0.000 0.505 435 V N 0.230 120.504 119.914 0.600 0.000 2.559 435 V HA 0.569 4.689 4.120 -0.000 0.000 0.289 435 V C -0.649 175.688 176.094 0.405 0.000 1.036 435 V CA -0.489 62.051 62.300 0.400 0.000 0.887 435 V CB 0.692 32.651 31.823 0.227 0.000 1.022 435 V HN 1.224 nan 8.190 nan 0.000 0.442 436 D N 2.646 123.264 120.400 0.363 0.000 2.412 436 D HA 0.387 5.027 4.640 -0.000 0.000 0.257 436 D C 0.991 177.251 176.300 -0.066 0.000 1.217 436 D CA 0.728 54.652 54.000 -0.128 0.000 0.897 436 D CB 0.843 41.536 40.800 -0.178 0.000 1.132 436 D HN 0.819 nan 8.370 nan 0.000 0.493 437 T N 1.296 115.756 114.554 -0.157 0.000 3.014 437 T HA 0.144 4.494 4.350 -0.000 0.000 0.263 437 T C 2.725 177.358 174.700 -0.112 0.000 1.078 437 T CA 1.116 63.176 62.100 -0.067 0.000 1.135 437 T CB 0.066 68.906 68.868 -0.046 0.000 0.895 437 T HN 0.719 nan 8.240 nan 0.000 0.480 438 V N 1.319 121.106 119.914 -0.211 0.000 2.453 438 V HA 0.136 4.256 4.120 -0.000 0.000 0.247 438 V C 2.575 178.598 176.094 -0.120 0.000 1.048 438 V CA 2.297 64.494 62.300 -0.172 0.000 1.049 438 V CB -0.999 30.686 31.823 -0.230 0.000 0.672 438 V HN 0.462 nan 8.190 nan 0.000 0.457 439 R N -0.470 119.960 120.500 -0.117 0.000 2.404 439 R HA 0.287 4.627 4.340 -0.000 0.000 0.237 439 R C 1.044 177.329 176.300 -0.025 0.000 0.907 439 R CA 0.758 56.824 56.100 -0.057 0.000 1.063 439 R CB -0.741 29.538 30.300 -0.036 0.000 1.134 439 R HN 0.997 nan 8.270 nan 0.000 0.529 440 N N -0.939 117.754 118.700 -0.012 0.000 2.726 440 N HA -0.127 4.613 4.740 -0.000 0.000 0.253 440 N C -0.708 174.885 175.510 0.138 0.000 1.059 440 N CA 0.936 53.992 53.050 0.008 0.000 0.701 440 N CB -1.548 36.869 38.487 -0.115 0.000 0.899 440 N HN 0.576 nan 8.380 nan 0.000 0.548 441 L N -0.031 121.391 121.223 0.333 0.000 2.359 441 L HA 0.997 5.337 4.340 -0.000 0.000 0.256 441 L C -1.037 176.055 176.870 0.369 0.000 1.026 441 L CA -0.361 54.748 54.840 0.449 0.000 0.828 441 L CB 1.989 44.193 42.059 0.241 0.000 1.406 441 L HN 0.286 nan 8.230 nan 0.000 0.413 442 A N 2.611 125.473 122.820 0.071 0.000 2.449 442 A HA 0.766 5.086 4.320 -0.000 0.000 0.302 442 A C -2.018 175.461 177.584 -0.175 0.000 1.048 442 A CA -0.384 51.542 52.037 -0.185 0.000 0.708 442 A CB 1.490 20.091 19.000 -0.665 0.000 1.274 442 A HN 0.654 nan 8.150 nan 0.000 0.410 443 L N 2.540 123.571 121.223 -0.319 0.000 2.353 443 L HA 0.684 5.024 4.340 -0.000 0.000 0.270 443 L C -0.214 176.528 176.870 -0.213 0.000 1.003 443 L CA 0.156 54.781 54.840 -0.358 0.000 0.862 443 L CB 1.119 42.654 42.059 -0.873 0.000 1.221 443 L HN 0.885 nan 8.230 nan 0.000 0.430 444 I N 3.379 123.945 120.570 -0.006 0.000 2.337 444 I HA 0.458 4.627 4.170 -0.000 0.000 0.285 444 I C 0.747 176.876 176.117 0.020 0.000 1.041 444 I CA -0.621 60.689 61.300 0.016 0.000 1.199 444 I CB 0.007 38.076 38.000 0.115 0.000 1.370 444 I HN 0.755 nan 8.210 nan 0.000 0.470 445 C N 1.941 121.216 119.300 -0.041 0.000 2.614 445 C HA 0.325 4.785 4.460 -0.000 0.000 0.288 445 C C 2.101 177.018 174.990 -0.121 0.000 2.416 445 C CA 0.271 59.262 59.018 -0.045 0.000 1.848 445 C CB 0.540 28.274 27.740 -0.010 0.000 1.922 445 C HN 0.929 nan 8.230 nan 0.000 0.512 446 E N 0.003 120.141 120.200 -0.104 0.000 2.250 446 E HA -0.065 4.285 4.350 -0.000 0.000 0.192 446 E C 1.960 178.485 176.600 -0.126 0.000 0.986 446 E CA 0.588 56.903 56.400 -0.142 0.000 0.849 446 E CB 0.071 29.700 29.700 -0.119 0.000 0.797 446 E HN 0.629 nan 8.360 nan 0.000 0.482 447 S N 1.264 116.918 115.700 -0.077 0.000 2.383 447 S HA -0.110 4.360 4.470 -0.000 0.000 0.227 447 S C 1.147 175.707 174.600 -0.067 0.000 1.026 447 S CA 1.090 59.257 58.200 -0.056 0.000 0.981 447 S CB -0.099 63.098 63.200 -0.005 0.000 0.818 447 S HN 0.329 nan 8.310 nan 0.000 0.472 448 D N 0.392 120.749 120.400 -0.073 0.000 2.363 448 D HA 0.138 4.778 4.640 -0.000 0.000 0.226 448 D C 1.134 177.352 176.300 -0.137 0.000 1.020 448 D CA 0.302 54.249 54.000 -0.088 0.000 0.892 448 D CB 0.252 40.999 40.800 -0.089 0.000 0.900 448 D HN 0.240 nan 8.370 nan 0.000 0.531 449 L N -0.664 120.463 121.223 -0.161 0.000 2.588 449 L HA 0.180 4.520 4.340 -0.000 0.000 0.194 449 L C 1.262 178.020 176.870 -0.188 0.000 1.070 449 L CA 0.559 55.283 54.840 -0.194 0.000 0.852 449 L CB 0.317 42.220 42.059 -0.259 0.000 1.199 449 L HN -0.152 nan 8.230 nan 0.000 0.486 450 L N -0.150 120.950 121.223 -0.204 0.000 2.851 450 L HA 0.419 4.759 4.340 -0.000 0.000 0.237 450 L C 1.176 177.894 176.870 -0.254 0.000 1.257 450 L CA 0.362 55.050 54.840 -0.253 0.000 1.061 450 L CB -0.780 41.090 42.059 -0.316 0.000 1.372 450 L HN 0.495 nan 8.230 nan 0.000 0.493 451 G N 1.320 110.018 108.800 -0.170 0.000 3.594 451 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.285 451 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.285 451 G C 0.072 174.921 174.900 -0.084 0.000 1.551 451 G CA 0.218 45.244 45.100 -0.123 0.000 1.061 451 G HN 0.424 nan 8.290 nan 0.000 0.624 452 E N 0.509 120.660 120.200 -0.083 0.000 2.343 452 E HA 0.507 4.857 4.350 -0.000 0.000 0.288 452 E C -0.357 176.234 176.600 -0.015 0.000 0.907 452 E CA -0.632 55.746 56.400 -0.036 0.000 0.792 452 E CB 0.943 30.636 29.700 -0.013 0.000 1.275 452 E HN 0.576 nan 8.360 nan 0.000 0.402 453 R N 1.862 122.347 120.500 -0.024 0.000 2.536 453 R HA 0.460 4.800 4.340 -0.000 0.000 0.279 453 R C -0.280 176.007 176.300 -0.023 0.000 1.001 453 R CA -0.842 55.283 56.100 0.042 0.000 1.027 453 R CB 1.698 31.993 30.300 -0.009 0.000 1.096 453 R HN 0.250 nan 8.270 nan 0.000 0.502 454 V N 1.735 121.643 119.914 -0.010 0.000 2.686 454 V HA 0.215 4.335 4.120 -0.000 0.000 0.295 454 V C 0.440 176.423 176.094 -0.184 0.000 1.055 454 V CA -0.293 61.887 62.300 -0.200 0.000 1.050 454 V CB 1.345 32.948 31.823 -0.367 0.000 0.984 454 V HN 0.866 nan 8.190 nan 0.000 0.482 455 A N 4.599 127.239 122.820 -0.300 0.000 2.290 455 A HA 0.917 5.237 4.320 -0.000 0.000 0.310 455 A C 0.217 177.701 177.584 -0.167 0.000 1.202 455 A CA -0.178 51.671 52.037 -0.313 0.000 0.837 455 A CB 0.698 19.273 19.000 -0.708 0.000 1.139 455 A HN 1.200 nan 8.150 nan 0.000 0.509 456 R N 0.510 120.959 120.500 -0.084 0.000 2.867 456 R HA 0.894 5.234 4.340 -0.000 0.000 0.268 456 R C 0.399 176.698 176.300 -0.002 0.000 1.014 456 R CA 0.041 56.126 56.100 -0.025 0.000 0.946 456 R CB -0.080 30.225 30.300 0.009 0.000 1.208 456 R HN 1.998 nan 8.270 nan 0.000 0.477 457 R N -0.544 119.968 120.500 0.018 0.000 2.944 457 R HA 0.639 4.979 4.340 -0.000 0.000 0.279 457 R C 0.857 177.175 176.300 0.029 0.000 1.048 457 R CA 0.735 56.852 56.100 0.029 0.000 1.196 457 R CB -0.510 29.812 30.300 0.037 0.000 1.134 457 R HN 1.980 nan 8.270 nan 0.000 0.525 458 R N 1.347 121.868 120.500 0.034 0.000 2.335 458 R HA 0.271 4.611 4.340 -0.000 0.000 0.302 458 R C 0.800 177.120 176.300 0.034 0.000 1.147 458 R CA -0.444 55.676 56.100 0.034 0.000 1.111 458 R CB 0.274 30.596 30.300 0.037 0.000 1.122 458 R HN 0.810 nan 8.270 nan 0.000 0.557 459 Q N 0.147 119.966 119.800 0.032 0.000 2.308 459 Q HA -0.156 4.184 4.340 -0.000 0.000 0.209 459 Q C 1.409 177.425 176.000 0.028 0.000 0.985 459 Q CA 2.126 57.947 55.803 0.030 0.000 0.881 459 Q CB -0.487 28.268 28.738 0.029 0.000 0.917 459 Q HN 0.953 nan 8.270 nan 0.000 0.443 460 D N 0.556 120.974 120.400 0.029 0.000 2.396 460 D HA 0.264 4.904 4.640 -0.000 0.000 0.255 460 D C 0.689 177.007 176.300 0.030 0.000 1.224 460 D CA 0.643 54.660 54.000 0.028 0.000 0.894 460 D CB -0.700 40.117 40.800 0.028 0.000 0.939 460 D HN 0.430 nan 8.370 nan 0.000 0.506 461 S N -0.460 115.258 115.700 0.030 0.000 2.533 461 S HA 0.539 5.009 4.470 -0.000 0.000 0.282 461 S C 1.489 176.102 174.600 0.022 0.000 1.304 461 S CA 0.213 58.432 58.200 0.030 0.000 1.063 461 S CB 0.091 63.307 63.200 0.027 0.000 0.881 461 S HN 0.902 nan 8.310 nan 0.000 0.493 462 R N 2.946 123.460 120.500 0.023 0.000 4.054 462 R HA 0.326 4.665 4.340 -0.000 0.000 0.227 462 R C 0.442 176.742 176.300 -0.001 0.000 1.902 462 R CA 0.088 56.196 56.100 0.014 0.000 1.590 462 R CB -0.776 29.537 30.300 0.022 0.000 1.245 462 R HN 0.753 nan 8.270 nan 0.000 0.647 463 R N -0.743 119.755 120.500 -0.004 0.000 2.668 463 R HA 0.624 4.964 4.340 -0.000 0.000 0.272 463 R C -1.489 174.809 176.300 -0.003 0.000 1.019 463 R CA -0.584 55.509 56.100 -0.012 0.000 0.894 463 R CB 2.702 32.985 30.300 -0.028 0.000 1.228 463 R HN 0.309 nan 8.270 nan 0.000 0.460 464 T N 2.323 116.875 114.554 -0.003 0.000 4.045 464 T HA 0.228 4.578 4.350 -0.000 0.000 0.399 464 T C -0.531 174.166 174.700 -0.006 0.000 1.270 464 T CA -0.644 61.457 62.100 0.002 0.000 1.126 464 T CB 0.840 69.707 68.868 -0.001 0.000 1.272 464 T HN 0.407 nan 8.240 nan 0.000 0.472 465 I N 3.543 124.112 120.570 -0.001 0.000 2.460 465 I HA 0.104 4.274 4.170 -0.000 0.000 0.297 465 I C 0.946 177.042 176.117 -0.034 0.000 1.139 465 I CA -0.430 60.862 61.300 -0.014 0.000 1.340 465 I CB -0.123 37.875 38.000 -0.003 0.000 1.444 465 I HN 0.518 nan 8.210 nan 0.000 0.557 466 N N 9.862 128.538 118.700 -0.039 0.000 2.357 466 N HA -0.034 4.706 4.740 -0.000 0.000 0.257 466 N C -1.189 174.278 175.510 -0.073 0.000 1.250 466 N CA -1.069 51.951 53.050 -0.049 0.000 0.862 466 N CB 0.806 39.264 38.487 -0.048 0.000 1.066 466 N HN 0.289 nan 8.380 nan 0.000 0.468 467 P HA -0.127 nan 4.420 nan 0.000 0.214 467 P C 0.451 177.671 177.300 -0.133 0.000 1.162 467 P CA 1.084 64.110 63.100 -0.123 0.000 0.874 467 P CB 0.252 31.892 31.700 -0.099 0.000 0.784 468 D N -0.149 120.195 120.400 -0.094 0.000 2.127 468 D HA -0.145 4.494 4.640 -0.000 0.000 0.190 468 D C 1.990 178.226 176.300 -0.106 0.000 1.000 468 D CA 1.908 55.855 54.000 -0.088 0.000 0.839 468 D CB -1.006 39.752 40.800 -0.069 0.000 0.955 468 D HN 0.129 nan 8.370 nan 0.000 0.446 469 T N 1.435 115.928 114.554 -0.103 0.000 2.653 469 T HA -0.213 4.137 4.350 -0.000 0.000 0.267 469 T C 2.131 176.761 174.700 -0.117 0.000 1.037 469 T CA 1.216 63.250 62.100 -0.109 0.000 1.159 469 T CB -0.338 68.476 68.868 -0.091 0.000 0.859 469 T HN 0.179 nan 8.240 nan 0.000 0.449 470 L N -0.676 120.472 121.223 -0.126 0.000 2.168 470 L HA 0.161 4.501 4.340 -0.000 0.000 0.203 470 L C 2.392 179.174 176.870 -0.146 0.000 1.078 470 L CA 0.828 55.589 54.840 -0.133 0.000 0.780 470 L CB -0.453 41.523 42.059 -0.139 0.000 0.939 470 L HN 0.270 nan 8.230 nan 0.000 0.451 471 I N -0.534 119.928 120.570 -0.180 0.000 2.270 471 I HA -0.138 4.032 4.170 -0.000 0.000 0.239 471 I C 2.706 178.766 176.117 -0.095 0.000 1.080 471 I CA 0.964 62.164 61.300 -0.166 0.000 1.383 471 I CB -0.377 37.468 38.000 -0.258 0.000 1.097 471 I HN 0.070 nan 8.210 nan 0.000 0.420 472 R N 0.984 121.432 120.500 -0.087 0.000 2.148 472 R HA -0.014 4.326 4.340 -0.000 0.000 0.223 472 R C 0.688 176.945 176.300 -0.072 0.000 1.088 472 R CA 1.062 57.127 56.100 -0.058 0.000 0.985 472 R CB 0.097 30.368 30.300 -0.049 0.000 0.880 472 R HN 0.364 nan 8.270 nan 0.000 0.451 473 N N 0.821 119.462 118.700 -0.098 0.000 2.328 473 N HA 0.117 4.857 4.740 -0.000 0.000 0.247 473 N C -0.606 174.831 175.510 -0.122 0.000 1.165 473 N CA -0.073 52.909 53.050 -0.115 0.000 0.873 473 N CB 0.599 38.995 38.487 -0.151 0.000 1.125 473 N HN 0.100 nan 8.380 nan 0.000 0.513 474 L N 0.034 121.186 121.223 -0.119 0.000 4.035 474 L HA -0.268 4.072 4.340 -0.000 0.000 0.490 474 L C 0.125 176.900 176.870 -0.158 0.000 1.163 474 L CA 0.123 54.874 54.840 -0.148 0.000 0.680 474 L CB -1.964 39.994 42.059 -0.168 0.000 1.409 474 L HN 0.142 nan 8.230 nan 0.000 0.786 475 A N 1.060 123.795 122.820 -0.142 0.000 2.312 475 A HA 0.622 4.942 4.320 -0.000 0.000 0.328 475 A C 0.951 178.448 177.584 -0.146 0.000 1.158 475 A CA 0.006 51.965 52.037 -0.129 0.000 0.821 475 A CB 0.922 19.858 19.000 -0.106 0.000 1.170 475 A HN 0.583 nan 8.150 nan 0.000 0.490 476 E N -1.442 118.660 120.200 -0.164 0.000 2.252 476 E HA -0.205 4.145 4.350 -0.000 0.000 0.218 476 E C -0.832 175.524 176.600 -0.406 0.000 1.253 476 E CA 0.314 56.567 56.400 -0.245 0.000 0.705 476 E CB -1.151 28.496 29.700 -0.088 0.000 1.172 476 E HN 0.577 nan 8.360 nan 0.000 0.369 477 L N 1.714 122.699 121.223 -0.397 0.000 2.264 477 L HA 0.348 4.687 4.340 -0.000 0.000 0.289 477 L C -0.525 176.158 176.870 -0.312 0.000 1.044 477 L CA -0.361 54.272 54.840 -0.345 0.000 0.807 477 L CB 0.776 42.558 42.059 -0.460 0.000 1.192 477 L HN 0.111 nan 8.230 nan 0.000 0.425 478 H N 5.080 124.223 119.070 0.122 0.000 2.488 478 H HA 0.413 4.969 4.556 -0.000 0.000 0.322 478 H C -0.085 175.402 175.328 0.265 0.000 1.078 478 H CA -0.712 55.446 56.048 0.183 0.000 1.260 478 H CB 0.850 30.668 29.762 0.093 0.000 1.425 478 H HN 0.561 nan 8.280 nan 0.000 0.471 479 I N 3.431 124.185 120.570 0.306 0.000 3.192 479 I HA -0.228 3.942 4.170 -0.000 0.000 0.314 479 I C 1.278 177.437 176.117 0.070 0.000 1.243 479 I CA 1.682 63.002 61.300 0.033 0.000 1.404 479 I CB -0.330 37.587 38.000 -0.138 0.000 1.374 479 I HN 1.141 nan 8.210 nan 0.000 0.522 480 G N 3.981 112.828 108.800 0.078 0.000 2.380 480 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.197 480 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.197 480 G C 0.147 175.087 174.900 0.068 0.000 1.001 480 G CA -0.606 44.520 45.100 0.045 0.000 0.668 480 G HN 0.551 nan 8.290 nan 0.000 0.483 481 Q N 2.182 122.062 119.800 0.134 0.000 2.394 481 Q HA 0.389 4.729 4.340 -0.000 0.000 0.248 481 Q C -2.279 173.764 176.000 0.072 0.000 0.992 481 Q CA -1.342 54.526 55.803 0.108 0.000 0.888 481 Q CB 1.024 29.844 28.738 0.137 0.000 1.257 481 Q HN 0.283 nan 8.270 nan 0.000 0.462 482 P HA 0.041 nan 4.420 nan 0.000 0.271 482 P C -0.839 176.493 177.300 0.053 0.000 1.220 482 P CA 0.205 63.301 63.100 -0.006 0.000 0.768 482 P CB 0.826 32.495 31.700 -0.051 0.000 0.848 483 V N 3.836 123.745 119.914 -0.007 0.000 3.074 483 V HA 0.424 4.544 4.120 -0.000 0.000 0.314 483 V C 0.009 176.123 176.094 0.032 0.000 1.117 483 V CA -0.813 61.504 62.300 0.028 0.000 1.014 483 V CB 2.665 34.491 31.823 0.005 0.000 1.057 483 V HN 0.242 nan 8.190 nan 0.000 0.438 484 V N 1.764 121.732 119.914 0.091 0.000 2.419 484 V HA 0.350 4.470 4.120 -0.000 0.000 0.287 484 V C -0.506 175.658 176.094 0.116 0.000 1.017 484 V CA -0.570 61.794 62.300 0.107 0.000 0.844 484 V CB 1.027 32.985 31.823 0.225 0.000 1.011 484 V HN 0.946 nan 8.190 nan 0.000 0.429 485 H N 3.512 122.582 119.070 -0.001 0.000 2.580 485 H HA 0.440 4.996 4.556 -0.000 0.000 0.322 485 H C 0.820 176.108 175.328 -0.067 0.000 1.082 485 H CA -0.583 55.464 56.048 -0.003 0.000 1.383 485 H CB 1.407 31.214 29.762 0.075 0.000 1.450 485 H HN 0.615 nan 8.280 nan 0.000 0.505 486 L N 3.410 124.854 121.223 0.369 0.000 1.943 486 L HA -0.209 4.131 4.340 -0.000 0.000 0.215 486 L C 2.131 179.202 176.870 0.335 0.000 1.074 486 L CA 1.777 56.836 54.840 0.365 0.000 0.759 486 L CB -0.288 41.914 42.059 0.238 0.000 0.888 486 L HN 0.786 nan 8.230 nan 0.000 0.433 487 E N -1.352 118.902 120.200 0.090 0.000 2.187 487 E HA -0.251 4.099 4.350 -0.000 0.000 0.199 487 E C 1.900 178.250 176.600 -0.416 0.000 1.004 487 E CA 1.568 57.823 56.400 -0.242 0.000 0.813 487 E CB 0.116 29.460 29.700 -0.594 0.000 0.736 487 E HN 0.530 nan 8.360 nan 0.000 0.468 488 H N -2.278 116.533 119.070 -0.433 0.000 2.348 488 H HA 0.423 4.979 4.556 -0.000 0.000 0.306 488 H C 1.173 175.738 175.328 -1.271 0.000 1.034 488 H CA 1.147 56.809 56.048 -0.644 0.000 1.395 488 H CB 0.452 29.793 29.762 -0.702 0.000 1.495 488 H HN 0.224 nan 8.280 nan 0.000 0.616 489 G N -0.136 108.035 108.800 -1.047 0.000 2.320 489 G HA2 0.010 3.970 3.960 -0.000 0.000 0.274 489 G HA3 0.010 3.970 3.960 -0.000 0.000 0.274 489 G C -1.416 173.329 174.900 -0.259 0.000 1.324 489 G CA -0.332 43.825 45.100 -1.571 0.000 0.957 489 G HN 0.139 nan 8.290 nan 0.000 0.481 490 V N 1.993 121.982 119.914 0.125 0.000 2.397 490 V HA 0.571 4.691 4.120 -0.000 0.000 0.262 490 V C 1.256 177.163 176.094 -0.312 0.000 1.047 490 V CA 1.054 63.327 62.300 -0.044 0.000 1.003 490 V CB 0.028 31.777 31.823 -0.125 0.000 1.037 490 V HN 1.361 nan 8.190 nan 0.000 0.480 491 G N 5.470 113.869 108.800 -0.668 0.000 3.122 491 G HA2 0.688 4.648 3.960 -0.000 0.000 0.180 491 G HA3 0.688 4.648 3.960 -0.000 0.000 0.180 491 G C -0.664 173.914 174.900 -0.536 0.000 1.279 491 G CA -0.814 43.587 45.100 -1.165 0.000 0.987 491 G HN 0.454 nan 8.290 nan 0.000 0.589 492 R N -0.777 119.472 120.500 -0.418 0.000 2.574 492 R HA 0.226 4.566 4.340 -0.000 0.000 0.288 492 R C -1.531 174.743 176.300 -0.043 0.000 1.004 492 R CA -0.817 55.183 56.100 -0.166 0.000 0.895 492 R CB 1.629 31.848 30.300 -0.134 0.000 1.191 492 R HN 0.551 nan 8.270 nan 0.000 0.444 493 Y N 1.747 121.988 120.300 -0.099 0.000 2.895 493 Y HA -0.060 4.490 4.550 -0.000 0.000 0.334 493 Y C 0.551 176.414 175.900 -0.061 0.000 1.261 493 Y CA 0.701 58.762 58.100 -0.064 0.000 1.560 493 Y CB 0.562 39.000 38.460 -0.035 0.000 1.253 493 Y HN 0.779 nan 8.280 nan 0.000 0.582 494 A N 3.794 126.413 122.820 -0.335 0.000 2.287 494 A HA 0.631 4.951 4.320 -0.000 0.000 0.214 494 A C 0.997 178.241 177.584 -0.565 0.000 1.228 494 A CA 0.678 52.485 52.037 -0.384 0.000 0.939 494 A CB -0.328 18.538 19.000 -0.223 0.000 0.992 494 A HN 1.641 nan 8.150 nan 0.000 0.502 495 G N -1.153 107.132 108.800 -0.859 0.000 2.298 495 G HA2 0.237 4.197 3.960 -0.000 0.000 0.309 495 G HA3 0.237 4.197 3.960 -0.000 0.000 0.309 495 G C -1.000 173.830 174.900 -0.118 0.000 1.279 495 G CA -0.372 44.388 45.100 -0.567 0.000 1.042 495 G HN 0.359 nan 8.290 nan 0.000 0.480 496 M N 0.799 120.402 119.600 0.006 0.000 2.386 496 M HA 0.559 5.038 4.480 -0.000 0.000 0.293 496 M C -0.368 175.989 176.300 0.094 0.000 1.120 496 M CA -0.667 54.693 55.300 0.099 0.000 0.909 496 M CB 2.570 35.274 32.600 0.172 0.000 1.661 496 M HN 0.841 nan 8.290 nan 0.000 0.452 497 T N -0.597 114.041 114.554 0.140 0.000 2.910 497 T HA 0.690 5.040 4.350 -0.000 0.000 0.287 497 T C -0.458 174.356 174.700 0.190 0.000 1.050 497 T CA -0.788 61.401 62.100 0.148 0.000 1.011 497 T CB 2.041 71.011 68.868 0.169 0.000 1.195 497 T HN 0.559 nan 8.240 nan 0.000 0.540 498 T N 1.820 116.461 114.554 0.145 0.000 2.840 498 T HA 0.639 4.989 4.350 -0.000 0.000 0.287 498 T C -0.820 173.934 174.700 0.090 0.000 0.991 498 T CA -0.594 61.594 62.100 0.147 0.000 0.964 498 T CB 0.242 69.174 68.868 0.106 0.000 0.954 498 T HN 0.419 nan 8.240 nan 0.000 0.438 499 L N 1.891 123.167 121.223 0.090 0.000 2.354 499 L HA 0.596 4.936 4.340 -0.000 0.000 0.264 499 L C 0.085 176.971 176.870 0.026 0.000 1.008 499 L CA -1.197 53.631 54.840 -0.020 0.000 0.819 499 L CB 2.043 43.973 42.059 -0.216 0.000 1.339 499 L HN 0.407 nan 8.230 nan 0.000 0.420 500 E N 1.333 121.528 120.200 -0.009 0.000 2.105 500 E HA 0.354 4.704 4.350 -0.000 0.000 0.285 500 E C 0.002 176.603 176.600 0.002 0.000 1.055 500 E CA -0.155 56.251 56.400 0.009 0.000 0.843 500 E CB 2.132 31.830 29.700 -0.003 0.000 1.067 500 E HN 0.732 nan 8.360 nan 0.000 0.398 501 A N 3.214 126.056 122.820 0.037 0.000 3.702 501 A HA 0.234 4.554 4.320 -0.000 0.000 0.175 501 A C 1.461 179.054 177.584 0.015 0.000 1.741 501 A CA 0.617 52.677 52.037 0.037 0.000 0.912 501 A CB -0.804 18.244 19.000 0.081 0.000 1.154 501 A HN 0.610 nan 8.150 nan 0.000 0.420 502 G N -1.418 107.393 108.800 0.019 0.000 3.375 502 G HA2 0.438 4.398 3.960 -0.000 0.000 0.247 502 G HA3 0.438 4.398 3.960 -0.000 0.000 0.247 502 G C 0.913 175.814 174.900 0.002 0.000 1.343 502 G CA 0.704 45.806 45.100 0.005 0.000 1.368 502 G HN 2.034 nan 8.290 nan 0.000 0.549 503 G N -0.409 108.393 108.800 0.004 0.000 2.134 503 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.209 503 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.209 503 G C 0.055 174.961 174.900 0.010 0.000 0.993 503 G CA -0.030 45.071 45.100 0.002 0.000 0.669 503 G HN 0.540 nan 8.290 nan 0.000 0.519 504 I N 1.927 122.509 120.570 0.020 0.000 2.478 504 I HA 0.345 4.515 4.170 -0.000 0.000 0.287 504 I C 0.666 176.813 176.117 0.050 0.000 1.042 504 I CA -0.695 60.623 61.300 0.029 0.000 1.067 504 I CB 2.076 40.092 38.000 0.027 0.000 1.233 504 I HN 0.197 nan 8.210 nan 0.000 0.431 505 T N 2.266 116.851 114.554 0.052 0.000 2.907 505 T HA 0.644 4.994 4.350 -0.000 0.000 0.298 505 T C 0.172 174.931 174.700 0.097 0.000 1.017 505 T CA -0.621 61.526 62.100 0.078 0.000 1.118 505 T CB 1.540 70.447 68.868 0.064 0.000 0.948 505 T HN 0.810 nan 8.240 nan 0.000 0.531 506 G N 0.772 109.671 108.800 0.165 0.000 2.696 506 G HA2 0.520 4.480 3.960 -0.000 0.000 0.295 506 G HA3 0.520 4.480 3.960 -0.000 0.000 0.295 506 G C -1.516 173.487 174.900 0.172 0.000 1.398 506 G CA -0.863 44.305 45.100 0.113 0.000 0.920 506 G HN 0.817 nan 8.290 nan 0.000 0.492 507 E N -0.368 119.826 120.200 -0.010 0.000 2.301 507 E HA 0.550 4.900 4.350 -0.000 0.000 0.275 507 E C -1.170 175.341 176.600 -0.148 0.000 1.030 507 E CA -0.421 56.000 56.400 0.034 0.000 0.852 507 E CB 0.980 30.674 29.700 -0.010 0.000 1.060 507 E HN 0.412 nan 8.360 nan 0.000 0.401 508 Y N 1.715 122.009 120.300 -0.010 0.000 2.499 508 Y HA 0.341 4.891 4.550 -0.000 0.000 0.347 508 Y C -0.651 175.253 175.900 0.007 0.000 0.987 508 Y CA -1.032 57.075 58.100 0.012 0.000 1.044 508 Y CB 1.399 39.938 38.460 0.131 0.000 1.245 508 Y HN 0.397 nan 8.280 nan 0.000 0.461 509 L N 4.020 125.317 121.223 0.123 0.000 2.255 509 L HA 0.546 4.886 4.340 -0.000 0.000 0.289 509 L C -0.937 175.972 176.870 0.066 0.000 1.046 509 L CA -0.324 54.582 54.840 0.110 0.000 0.816 509 L CB 0.257 42.365 42.059 0.080 0.000 1.197 509 L HN 0.598 nan 8.230 nan 0.000 0.427 510 M N 6.149 125.735 119.600 -0.023 0.000 2.211 510 M HA 0.401 4.881 4.480 -0.000 0.000 0.356 510 M C -0.931 175.320 176.300 -0.082 0.000 1.216 510 M CA 0.015 55.186 55.300 -0.215 0.000 1.134 510 M CB 1.028 33.412 32.600 -0.360 0.000 1.564 510 M HN 0.512 nan 8.290 nan 0.000 0.463 511 L N 2.303 123.483 121.223 -0.072 0.000 2.436 511 L HA 0.508 4.848 4.340 -0.000 0.000 0.268 511 L C -0.078 176.799 176.870 0.012 0.000 0.974 511 L CA -0.736 54.109 54.840 0.008 0.000 0.826 511 L CB 2.467 44.612 42.059 0.144 0.000 1.291 511 L HN 0.721 nan 8.230 nan 0.000 0.406 512 T N -1.231 113.279 114.554 -0.074 0.000 2.867 512 T HA 0.659 5.009 4.350 -0.000 0.000 0.282 512 T C -0.505 174.120 174.700 -0.125 0.000 1.000 512 T CA -0.242 61.843 62.100 -0.025 0.000 1.042 512 T CB 1.707 70.540 68.868 -0.058 0.000 0.973 512 T HN 0.305 nan 8.240 nan 0.000 0.465 513 Y N 0.997 121.261 120.300 -0.061 0.000 3.258 513 Y HA 0.713 5.263 4.550 -0.000 0.000 0.311 513 Y C 1.075 176.942 175.900 -0.055 0.000 1.587 513 Y CA -0.903 57.159 58.100 -0.063 0.000 0.925 513 Y CB 0.221 38.639 38.460 -0.072 0.000 1.323 513 Y HN 0.987 nan 8.280 nan 0.000 0.719 514 A N 0.754 123.678 122.820 0.173 0.000 2.425 514 A HA 0.262 4.582 4.320 -0.000 0.000 0.242 514 A C 0.229 177.843 177.584 0.050 0.000 1.077 514 A CA 0.203 52.282 52.037 0.070 0.000 0.781 514 A CB -0.543 18.497 19.000 0.067 0.000 1.020 514 A HN 0.885 nan 8.150 nan 0.000 0.494 515 N N 0.445 119.160 118.700 0.024 0.000 2.741 515 N HA -0.205 4.535 4.740 -0.000 0.000 0.251 515 N C 0.222 175.741 175.510 0.016 0.000 1.112 515 N CA 1.542 54.601 53.050 0.015 0.000 0.750 515 N CB -0.979 37.516 38.487 0.013 0.000 1.119 515 N HN 0.906 nan 8.380 nan 0.000 0.561 516 D N -2.521 117.891 120.400 0.019 0.000 3.077 516 D HA -0.209 4.431 4.640 -0.000 0.000 0.217 516 D C 0.320 176.639 176.300 0.032 0.000 1.162 516 D CA 1.292 55.302 54.000 0.016 0.000 0.943 516 D CB -1.166 39.638 40.800 0.006 0.000 1.122 516 D HN 0.761 nan 8.370 nan 0.000 0.413 517 A N 0.334 123.181 122.820 0.046 0.000 2.507 517 A HA 0.317 4.637 4.320 -0.000 0.000 0.235 517 A C 0.620 178.249 177.584 0.074 0.000 1.070 517 A CA 0.599 52.662 52.037 0.044 0.000 0.768 517 A CB 0.520 19.528 19.000 0.014 0.000 1.011 517 A HN 0.203 nan 8.150 nan 0.000 0.502 518 K N -0.150 120.293 120.400 0.073 0.000 2.259 518 K HA 0.586 4.906 4.320 -0.000 0.000 0.249 518 K C -1.685 174.966 176.600 0.085 0.000 0.942 518 K CA -0.698 55.634 56.287 0.075 0.000 0.816 518 K CB 1.960 34.520 32.500 0.099 0.000 1.155 518 K HN 0.476 nan 8.250 nan 0.000 0.428 519 L N 3.229 124.472 121.223 0.034 0.000 2.343 519 L HA 0.362 4.702 4.340 -0.000 0.000 0.278 519 L C -1.717 175.150 176.870 -0.005 0.000 0.996 519 L CA -0.397 54.484 54.840 0.069 0.000 0.831 519 L CB 0.688 42.815 42.059 0.112 0.000 1.232 519 L HN 0.456 nan 8.230 nan 0.000 0.413 520 Y N 4.723 125.085 120.300 0.102 0.000 2.477 520 Y HA 0.455 5.005 4.550 -0.000 0.000 0.349 520 Y C 0.079 176.151 175.900 0.286 0.000 0.977 520 Y CA -0.428 57.766 58.100 0.158 0.000 1.214 520 Y CB 1.149 39.615 38.460 0.010 0.000 1.124 520 Y HN 0.281 nan 8.280 nan 0.000 0.521 521 V N 7.189 127.288 119.914 0.309 0.000 2.407 521 V HA 0.324 4.444 4.120 -0.000 0.000 0.278 521 V C -2.137 174.008 176.094 0.085 0.000 1.037 521 V CA -2.400 60.034 62.300 0.223 0.000 0.900 521 V CB 1.494 33.393 31.823 0.126 0.000 0.983 521 V HN 0.536 nan 8.190 nan 0.000 0.459 522 P HA 0.093 nan 4.420 nan 0.000 0.271 522 P C 0.899 178.026 177.300 -0.290 0.000 1.216 522 P CA 0.082 62.970 63.100 -0.352 0.000 0.776 522 P CB 0.948 32.525 31.700 -0.205 0.000 0.881 523 V N 2.604 122.258 119.914 -0.434 0.000 2.720 523 V HA -0.186 3.934 4.120 -0.000 0.000 0.256 523 V C 1.757 177.707 176.094 -0.239 0.000 1.082 523 V CA 2.667 64.688 62.300 -0.465 0.000 1.101 523 V CB -0.928 30.359 31.823 -0.894 0.000 0.693 523 V HN 0.682 nan 8.190 nan 0.000 0.479 524 S N -2.316 113.288 115.700 -0.159 0.000 2.593 524 S HA 0.068 4.538 4.470 -0.000 0.000 0.217 524 S C 1.421 176.076 174.600 0.092 0.000 0.966 524 S CA 0.633 58.822 58.200 -0.019 0.000 0.914 524 S CB 0.370 63.558 63.200 -0.019 0.000 0.776 524 S HN 0.407 nan 8.310 nan 0.000 0.523 525 S N 1.049 116.752 115.700 0.004 0.000 2.578 525 S HA 0.381 4.851 4.470 -0.000 0.000 0.231 525 S C 1.123 175.569 174.600 -0.258 0.000 0.994 525 S CA -0.438 57.718 58.200 -0.075 0.000 0.956 525 S CB 0.034 63.168 63.200 -0.110 0.000 0.870 525 S HN 0.309 nan 8.310 nan 0.000 0.494 526 L N 2.177 123.344 121.223 -0.094 0.000 2.349 526 L HA -0.115 4.225 4.340 -0.000 0.000 0.220 526 L C 1.990 178.800 176.870 -0.100 0.000 1.130 526 L CA 1.725 56.504 54.840 -0.102 0.000 0.791 526 L CB -1.346 40.708 42.059 -0.008 0.000 0.918 526 L HN 0.635 nan 8.230 nan 0.000 0.444 527 H N -2.401 116.630 119.070 -0.065 0.000 2.561 527 H HA -0.032 4.524 4.556 -0.000 0.000 0.278 527 H C 1.625 176.916 175.328 -0.062 0.000 1.014 527 H CA 0.520 56.539 56.048 -0.048 0.000 1.211 527 H CB -0.315 29.429 29.762 -0.030 0.000 1.365 527 H HN 0.296 nan 8.280 nan 0.000 0.594 528 L N 0.698 121.610 121.223 -0.519 0.000 2.667 528 L HA 0.245 4.585 4.340 -0.000 0.000 0.232 528 L C -0.190 176.485 176.870 -0.327 0.000 1.138 528 L CA -0.279 54.302 54.840 -0.432 0.000 0.921 528 L CB 0.256 41.931 42.059 -0.639 0.000 1.180 528 L HN 0.240 nan 8.230 nan 0.000 0.487 529 I N -0.321 120.112 120.570 -0.229 0.000 2.498 529 I HA 0.376 4.546 4.170 -0.000 0.000 0.301 529 I C 0.060 176.151 176.117 -0.042 0.000 0.984 529 I CA 0.023 61.243 61.300 -0.132 0.000 1.204 529 I CB 1.745 39.673 38.000 -0.121 0.000 1.362 529 I HN -0.089 nan 8.210 nan 0.000 0.471 530 S N 4.533 120.236 115.700 0.005 0.000 2.543 530 S HA 0.377 4.847 4.470 -0.000 0.000 0.273 530 S C -0.375 174.264 174.600 0.064 0.000 1.152 530 S CA -0.795 57.429 58.200 0.039 0.000 0.910 530 S CB 2.436 65.685 63.200 0.081 0.000 1.105 530 S HN 0.558 nan 8.310 nan 0.000 0.465 531 R N 1.870 122.395 120.500 0.042 0.000 2.489 531 R HA 0.164 4.504 4.340 -0.000 0.000 0.287 531 R C -0.925 175.458 176.300 0.138 0.000 1.053 531 R CA -0.156 55.980 56.100 0.059 0.000 1.036 531 R CB 0.242 30.545 30.300 0.004 0.000 0.966 531 R HN 0.720 nan 8.270 nan 0.000 0.432 532 Y N 3.003 123.334 120.300 0.051 0.000 2.425 532 Y HA 0.300 4.850 4.550 -0.000 0.000 0.331 532 Y C -0.755 175.203 175.900 0.096 0.000 1.157 532 Y CA 0.075 58.226 58.100 0.085 0.000 1.372 532 Y CB 0.994 39.491 38.460 0.062 0.000 1.253 532 Y HN 0.672 nan 8.280 nan 0.000 0.536 533 A N 4.188 126.664 122.820 -0.573 0.000 2.530 533 A HA 0.575 4.895 4.320 -0.000 0.000 0.279 533 A C 0.011 177.217 177.584 -0.629 0.000 1.109 533 A CA 0.025 51.818 52.037 -0.407 0.000 0.763 533 A CB 0.239 19.206 19.000 -0.055 0.000 1.257 533 A HN 1.159 nan 8.150 nan 0.000 0.424 534 G N 0.412 108.833 108.800 -0.632 0.000 4.658 534 G HA2 0.532 4.492 3.960 -0.000 0.000 0.279 534 G HA3 0.532 4.492 3.960 -0.000 0.000 0.279 534 G C 0.926 175.731 174.900 -0.158 0.000 0.997 534 G CA 0.615 45.494 45.100 -0.367 0.000 0.765 534 G HN 2.258 nan 8.290 nan 0.000 0.442 535 G N -1.188 107.498 108.800 -0.190 0.000 2.176 535 G HA2 0.288 4.248 3.960 -0.000 0.000 0.253 535 G HA3 0.288 4.248 3.960 -0.000 0.000 0.253 535 G C 0.319 175.190 174.900 -0.049 0.000 0.979 535 G CA 0.669 45.689 45.100 -0.134 0.000 0.641 535 G HN 2.076 nan 8.290 nan 0.000 0.530 536 A N -0.992 121.836 122.820 0.013 0.000 2.581 536 A HA 0.634 4.953 4.320 -0.000 0.000 0.309 536 A C -0.087 177.576 177.584 0.131 0.000 1.022 536 A CA 0.756 52.828 52.037 0.059 0.000 0.833 536 A CB 0.339 19.368 19.000 0.048 0.000 1.208 536 A HN 0.606 nan 8.150 nan 0.000 0.388 537 E N 1.171 121.438 120.200 0.112 0.000 2.368 537 E HA 0.236 4.586 4.350 -0.000 0.000 0.188 537 E C 1.281 177.923 176.600 0.071 0.000 1.061 537 E CA 0.879 57.351 56.400 0.121 0.000 0.933 537 E CB 0.078 29.840 29.700 0.104 0.000 1.091 537 E HN 0.877 nan 8.360 nan 0.000 0.458 538 E N 1.282 121.521 120.200 0.065 0.000 2.075 538 E HA -0.096 4.254 4.350 -0.000 0.000 0.190 538 E C 0.643 177.257 176.600 0.023 0.000 0.969 538 E CA 1.080 57.503 56.400 0.039 0.000 0.815 538 E CB -0.403 29.321 29.700 0.039 0.000 0.776 538 E HN 0.385 nan 8.360 nan 0.000 0.457 539 N N -0.274 118.447 118.700 0.035 0.000 2.844 539 N HA 0.533 5.273 4.740 -0.000 0.000 0.268 539 N C -0.899 174.609 175.510 -0.003 0.000 1.574 539 N CA 0.051 53.108 53.050 0.010 0.000 0.838 539 N CB 1.007 39.507 38.487 0.022 0.000 1.177 539 N HN 0.375 nan 8.380 nan 0.000 0.495 540 A N 1.739 124.506 122.820 -0.089 0.000 2.253 540 A HA 0.599 4.919 4.320 -0.000 0.000 0.316 540 A C -1.957 175.410 177.584 -0.362 0.000 1.327 540 A CA -1.324 50.514 52.037 -0.331 0.000 0.917 540 A CB 0.300 18.995 19.000 -0.509 0.000 1.162 540 A HN 0.377 nan 8.150 nan 0.000 0.535 541 P HA -0.069 nan 4.420 nan 0.000 0.277 541 P C -0.640 176.418 177.300 -0.403 0.000 1.237 541 P CA 0.176 63.072 63.100 -0.340 0.000 0.819 541 P CB 0.438 31.917 31.700 -0.368 0.000 0.841 542 L N 1.501 122.487 121.223 -0.394 0.000 2.457 542 L HA 0.250 4.590 4.340 -0.000 0.000 0.259 542 L C -0.176 176.598 176.870 -0.159 0.000 1.377 542 L CA -0.469 54.214 54.840 -0.262 0.000 0.887 542 L CB -0.278 41.687 42.059 -0.157 0.000 1.085 542 L HN 0.327 nan 8.230 nan 0.000 0.509 543 H N 1.547 120.677 119.070 0.099 0.000 2.852 543 H HA 0.106 4.662 4.556 -0.000 0.000 0.362 543 H C -0.006 175.418 175.328 0.159 0.000 1.122 543 H CA 0.256 56.389 56.048 0.142 0.000 1.419 543 H CB 0.960 30.794 29.762 0.120 0.000 1.401 543 H HN 0.440 nan 8.280 nan 0.000 0.609 544 K N 2.489 123.008 120.400 0.198 0.000 2.205 544 K HA 0.221 4.541 4.320 -0.000 0.000 0.279 544 K C -0.397 176.175 176.600 -0.047 0.000 1.027 544 K CA -0.605 55.727 56.287 0.075 0.000 0.932 544 K CB 0.541 33.078 32.500 0.061 0.000 1.032 544 K HN 0.427 nan 8.250 nan 0.000 0.466 545 L N 4.425 125.551 121.223 -0.161 0.000 2.433 545 L HA 0.129 4.468 4.340 -0.000 0.000 0.275 545 L C 1.226 177.988 176.870 -0.181 0.000 1.128 545 L CA 0.933 55.581 54.840 -0.319 0.000 0.875 545 L CB 0.531 42.364 42.059 -0.377 0.000 1.171 545 L HN 1.226 nan 8.230 nan 0.000 0.463 546 G N 2.349 111.059 108.800 -0.150 0.000 2.284 546 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.216 546 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.216 546 G C 0.561 175.459 174.900 -0.004 0.000 1.009 546 G CA -0.299 44.764 45.100 -0.062 0.000 0.625 546 G HN 0.908 nan 8.290 nan 0.000 0.501 547 G N -0.149 108.659 108.800 0.012 0.000 2.606 547 G HA2 0.448 4.407 3.960 -0.000 0.000 0.252 547 G HA3 0.448 4.407 3.960 -0.000 0.000 0.252 547 G C 0.346 175.294 174.900 0.080 0.000 1.206 547 G CA 0.520 45.649 45.100 0.049 0.000 0.861 547 G HN 0.126 nan 8.290 nan 0.000 0.561 548 D N 0.706 121.152 120.400 0.076 0.000 2.350 548 D HA 0.057 4.696 4.640 -0.000 0.000 0.213 548 D C 2.443 178.799 176.300 0.093 0.000 1.031 548 D CA 0.640 54.686 54.000 0.077 0.000 0.861 548 D CB 0.366 41.193 40.800 0.045 0.000 0.926 548 D HN 0.397 nan 8.370 nan 0.000 0.520 549 A N 1.651 124.545 122.820 0.125 0.000 1.896 549 A HA -0.231 4.089 4.320 -0.000 0.000 0.220 549 A C 2.072 179.745 177.584 0.148 0.000 1.206 549 A CA 1.452 53.581 52.037 0.153 0.000 0.647 549 A CB -1.250 17.889 19.000 0.231 0.000 0.828 549 A HN 0.515 nan 8.150 nan 0.000 0.455 550 W N 0.468 121.720 121.300 -0.081 0.000 2.353 550 W HA -0.176 4.483 4.660 -0.000 0.000 0.319 550 W C 2.603 179.061 176.519 -0.102 0.000 1.207 550 W CA 2.089 59.303 57.345 -0.218 0.000 1.291 550 W CB -0.653 28.606 29.460 -0.335 0.000 1.159 550 W HN 0.420 nan 8.180 nan 0.000 0.478 551 S N 0.891 116.573 115.700 -0.030 0.000 2.409 551 S HA -0.320 4.150 4.470 -0.000 0.000 0.237 551 S C 2.026 176.513 174.600 -0.189 0.000 1.060 551 S CA 2.491 60.614 58.200 -0.128 0.000 1.052 551 S CB -0.474 62.724 63.200 -0.002 0.000 0.871 551 S HN 0.563 nan 8.310 nan 0.000 0.465 552 R N 0.251 120.675 120.500 -0.127 0.000 2.128 552 R HA 0.372 4.712 4.340 -0.000 0.000 0.211 552 R C 2.470 178.683 176.300 -0.145 0.000 1.067 552 R CA 0.943 56.978 56.100 -0.108 0.000 1.010 552 R CB -0.965 29.310 30.300 -0.042 0.000 0.922 552 R HN 0.304 nan 8.270 nan 0.000 0.457 553 A N 1.915 124.643 122.820 -0.153 0.000 2.032 553 A HA -0.190 4.130 4.320 -0.000 0.000 0.221 553 A C 2.266 179.689 177.584 -0.268 0.000 1.165 553 A CA 1.593 53.544 52.037 -0.143 0.000 0.645 553 A CB -0.608 18.351 19.000 -0.069 0.000 0.807 553 A HN 0.414 nan 8.150 nan 0.000 0.453 554 R N -1.172 119.054 120.500 -0.456 0.000 2.055 554 R HA -0.127 4.213 4.340 -0.000 0.000 0.226 554 R C 2.430 178.576 176.300 -0.256 0.000 1.135 554 R CA 1.518 57.340 56.100 -0.463 0.000 0.959 554 R CB -0.316 29.606 30.300 -0.630 0.000 0.854 554 R HN 0.542 nan 8.270 nan 0.000 0.431 555 Q N 1.373 121.047 119.800 -0.209 0.000 2.096 555 Q HA -0.241 4.099 4.340 -0.000 0.000 0.208 555 Q C 1.895 177.833 176.000 -0.104 0.000 0.993 555 Q CA 2.310 58.033 55.803 -0.133 0.000 0.862 555 Q CB -0.142 28.536 28.738 -0.100 0.000 0.915 555 Q HN 0.203 nan 8.270 nan 0.000 0.416 556 K N -0.808 119.537 120.400 -0.093 0.000 2.001 556 K HA -0.244 4.076 4.320 -0.000 0.000 0.214 556 K C 1.923 178.491 176.600 -0.053 0.000 1.050 556 K CA 1.592 57.846 56.287 -0.055 0.000 0.934 556 K CB -0.527 31.952 32.500 -0.035 0.000 0.718 556 K HN 0.292 nan 8.250 nan 0.000 0.443 557 A N 1.093 123.873 122.820 -0.067 0.000 1.859 557 A HA -0.257 4.063 4.320 -0.000 0.000 0.218 557 A C 2.395 179.918 177.584 -0.101 0.000 1.209 557 A CA 2.766 54.769 52.037 -0.056 0.000 0.639 557 A CB -1.433 17.521 19.000 -0.076 0.000 0.835 557 A HN 0.571 nan 8.150 nan 0.000 0.450 558 A N -1.213 121.528 122.820 -0.132 0.000 1.971 558 A HA -0.127 4.193 4.320 -0.000 0.000 0.222 558 A C 2.141 179.666 177.584 -0.098 0.000 1.182 558 A CA 3.180 55.138 52.037 -0.131 0.000 0.649 558 A CB -1.264 17.663 19.000 -0.121 0.000 0.818 558 A HN 0.945 nan 8.150 nan 0.000 0.458 559 E N -0.048 120.108 120.200 -0.074 0.000 2.028 559 E HA -0.146 4.204 4.350 -0.000 0.000 0.190 559 E C 2.031 178.608 176.600 -0.039 0.000 0.984 559 E CA 1.461 57.831 56.400 -0.051 0.000 0.800 559 E CB -0.581 29.096 29.700 -0.039 0.000 0.758 559 E HN 0.769 nan 8.360 nan 0.000 0.448 560 K N 0.018 120.402 120.400 -0.027 0.000 2.032 560 K HA -0.077 4.242 4.320 -0.000 0.000 0.209 560 K C 2.344 178.935 176.600 -0.013 0.000 1.048 560 K CA 1.314 57.600 56.287 -0.002 0.000 0.927 560 K CB -0.429 32.091 32.500 0.033 0.000 0.712 560 K HN 0.231 nan 8.250 nan 0.000 0.441 561 V N 1.915 121.792 119.914 -0.060 0.000 2.324 561 V HA -0.306 3.814 4.120 -0.000 0.000 0.250 561 V C 2.536 178.584 176.094 -0.077 0.000 1.060 561 V CA 1.796 64.029 62.300 -0.111 0.000 1.042 561 V CB -0.574 31.104 31.823 -0.243 0.000 0.650 561 V HN 0.376 nan 8.190 nan 0.000 0.450 562 R N 0.161 120.620 120.500 -0.069 0.000 2.070 562 R HA -0.185 4.154 4.340 -0.000 0.000 0.233 562 R C 2.022 178.303 176.300 -0.030 0.000 1.137 562 R CA 2.351 58.420 56.100 -0.052 0.000 0.945 562 R CB -0.861 29.410 30.300 -0.049 0.000 0.845 562 R HN 0.522 nan 8.270 nan 0.000 0.430 563 D N 0.350 120.738 120.400 -0.020 0.000 2.108 563 D HA -0.160 4.480 4.640 -0.000 0.000 0.190 563 D C 2.103 178.404 176.300 0.002 0.000 0.995 563 D CA 1.707 55.703 54.000 -0.006 0.000 0.834 563 D CB -0.585 40.215 40.800 0.000 0.000 0.967 563 D HN 0.065 nan 8.370 nan 0.000 0.446 564 V N 1.762 121.682 119.914 0.010 0.000 2.233 564 V HA -0.346 3.774 4.120 -0.000 0.000 0.252 564 V C 2.552 178.654 176.094 0.013 0.000 1.063 564 V CA 2.346 64.659 62.300 0.023 0.000 1.032 564 V CB -1.073 30.776 31.823 0.043 0.000 0.645 564 V HN 0.257 nan 8.190 nan 0.000 0.446 565 A N -0.039 122.779 122.820 -0.004 0.000 1.859 565 A HA -0.269 4.051 4.320 -0.000 0.000 0.218 565 A C 2.460 180.039 177.584 -0.008 0.000 1.209 565 A CA 3.137 55.165 52.037 -0.015 0.000 0.639 565 A CB -1.238 17.739 19.000 -0.037 0.000 0.835 565 A HN 0.692 nan 8.150 nan 0.000 0.450 566 A N -0.701 122.113 122.820 -0.010 0.000 1.865 566 A HA -0.251 4.069 4.320 -0.000 0.000 0.217 566 A C 2.075 179.664 177.584 0.008 0.000 1.191 566 A CA 2.169 54.204 52.037 -0.005 0.000 0.623 566 A CB -0.832 18.163 19.000 -0.008 0.000 0.826 566 A HN 0.730 nan 8.150 nan 0.000 0.444 567 E N -0.118 120.089 120.200 0.012 0.000 2.048 567 E HA -0.251 4.099 4.350 -0.000 0.000 0.202 567 E C 2.007 178.626 176.600 0.033 0.000 1.021 567 E CA 1.775 58.187 56.400 0.020 0.000 0.825 567 E CB -0.335 29.378 29.700 0.021 0.000 0.756 567 E HN 0.606 nan 8.360 nan 0.000 0.454 568 L N 0.403 121.649 121.223 0.038 0.000 1.971 568 L HA -0.265 4.075 4.340 -0.000 0.000 0.215 568 L C 2.869 179.787 176.870 0.079 0.000 1.072 568 L CA 1.357 56.234 54.840 0.063 0.000 0.758 568 L CB -0.698 41.395 42.059 0.058 0.000 0.889 568 L HN 0.300 nan 8.230 nan 0.000 0.433 569 L N -0.364 120.883 121.223 0.041 0.000 2.151 569 L HA -0.305 4.034 4.340 -0.000 0.000 0.215 569 L C 2.191 179.098 176.870 0.062 0.000 1.084 569 L CA 1.268 56.124 54.840 0.027 0.000 0.764 569 L CB -0.582 41.471 42.059 -0.012 0.000 0.891 569 L HN 0.391 nan 8.230 nan 0.000 0.435 570 D N -0.493 119.940 120.400 0.055 0.000 2.201 570 D HA -0.023 4.617 4.640 -0.000 0.000 0.209 570 D C 2.344 178.686 176.300 0.070 0.000 0.961 570 D CA 0.823 54.854 54.000 0.053 0.000 0.861 570 D CB 0.118 40.936 40.800 0.030 0.000 0.997 570 D HN 0.295 nan 8.370 nan 0.000 0.486 571 I N 0.644 121.256 120.570 0.070 0.000 2.118 571 I HA -0.342 3.828 4.170 -0.000 0.000 0.241 571 I C 2.466 178.630 176.117 0.078 0.000 1.070 571 I CA 1.262 62.597 61.300 0.058 0.000 1.327 571 I CB -0.409 37.622 38.000 0.053 0.000 1.034 571 I HN 0.008 nan 8.210 nan 0.000 0.405 572 Y N 1.486 121.786 120.300 -0.000 0.000 2.081 572 Y HA -0.398 4.152 4.550 -0.000 0.000 0.280 572 Y C 2.591 178.490 175.900 -0.001 0.000 1.163 572 Y CA 2.019 60.119 58.100 0.000 0.000 1.135 572 Y CB -0.329 38.132 38.460 0.001 0.000 0.970 572 Y HN 0.177 nan 8.280 nan 0.000 0.498 573 A N 0.192 123.189 122.820 0.295 0.000 1.859 573 A HA -0.332 3.988 4.320 -0.000 0.000 0.217 573 A C 2.048 179.677 177.584 0.075 0.000 1.198 573 A CA 2.224 54.373 52.037 0.186 0.000 0.629 573 A CB -1.051 18.018 19.000 0.114 0.000 0.830 573 A HN 0.693 nan 8.150 nan 0.000 0.446 574 Q N -1.254 118.572 119.800 0.045 0.000 2.197 574 Q HA -0.217 4.123 4.340 -0.000 0.000 0.207 574 Q C 2.291 178.280 176.000 -0.017 0.000 0.984 574 Q CA 1.634 57.444 55.803 0.011 0.000 0.869 574 Q CB -0.204 28.538 28.738 0.007 0.000 0.906 574 Q HN 0.664 nan 8.270 nan 0.000 0.426 575 R N -0.102 120.368 120.500 -0.051 0.000 2.148 575 R HA -0.016 4.324 4.340 -0.000 0.000 0.223 575 R C 1.787 178.030 176.300 -0.094 0.000 1.088 575 R CA 0.915 56.955 56.100 -0.100 0.000 0.985 575 R CB 0.016 30.201 30.300 -0.192 0.000 0.880 575 R HN 0.203 nan 8.270 nan 0.000 0.451 576 A N -0.197 122.584 122.820 -0.066 0.000 2.169 576 A HA 0.151 4.471 4.320 -0.000 0.000 0.212 576 A C 1.947 179.528 177.584 -0.005 0.000 1.153 576 A CA 0.927 52.950 52.037 -0.025 0.000 0.756 576 A CB -0.050 18.980 19.000 0.049 0.000 0.813 576 A HN 0.427 nan 8.150 nan 0.000 0.471 577 A N -0.194 122.624 122.820 -0.004 0.000 1.903 577 A HA 0.139 4.458 4.320 -0.000 0.000 0.213 577 A C 1.375 178.952 177.584 -0.011 0.000 1.185 577 A CA 0.852 52.888 52.037 -0.002 0.000 0.628 577 A CB -0.168 18.834 19.000 0.003 0.000 0.830 577 A HN 0.404 nan 8.150 nan 0.000 0.446 578 K N 0.288 120.677 120.400 -0.019 0.000 2.202 578 K HA 0.447 4.767 4.320 -0.000 0.000 0.264 578 K C 0.094 176.680 176.600 -0.024 0.000 1.010 578 K CA 0.464 56.739 56.287 -0.021 0.000 0.940 578 K CB 0.485 32.971 32.500 -0.023 0.000 0.983 578 K HN 0.355 nan 8.250 nan 0.000 0.475 579 E N 0.561 120.747 120.200 -0.024 0.000 2.250 579 E HA 0.523 4.873 4.350 -0.000 0.000 0.269 579 E C 0.086 176.671 176.600 -0.025 0.000 1.018 579 E CA -0.352 56.031 56.400 -0.028 0.000 0.873 579 E CB 1.547 31.227 29.700 -0.034 0.000 1.134 579 E HN 0.809 nan 8.360 nan 0.000 0.403 580 G N -0.817 107.968 108.800 -0.026 0.000 3.107 580 G HA2 0.526 4.486 3.960 -0.000 0.000 0.233 580 G HA3 0.526 4.486 3.960 -0.000 0.000 0.233 580 G C -1.387 173.510 174.900 -0.005 0.000 1.168 580 G CA -0.476 44.622 45.100 -0.002 0.000 0.801 580 G HN 0.725 nan 8.290 nan 0.000 0.605 581 F N 1.662 121.512 119.950 -0.166 0.000 2.415 581 F HA 0.670 5.197 4.527 -0.000 0.000 0.348 581 F C 0.361 175.976 175.800 -0.308 0.000 1.119 581 F CA -0.834 57.002 58.000 -0.274 0.000 1.069 581 F CB 1.488 40.240 39.000 -0.413 0.000 1.124 581 F HN 0.516 nan 8.300 nan 0.000 0.472 582 A N 7.020 129.547 122.820 -0.488 0.000 2.269 582 A HA 0.464 4.784 4.320 -0.000 0.000 0.302 582 A C -1.027 176.418 177.584 -0.232 0.000 1.266 582 A CA -0.396 51.503 52.037 -0.230 0.000 0.894 582 A CB -0.276 18.598 19.000 -0.210 0.000 1.147 582 A HN 0.728 nan 8.150 nan 0.000 0.537 583 F N 1.577 121.646 119.950 0.198 0.000 2.418 583 F HA 0.253 4.780 4.527 -0.000 0.000 0.341 583 F C 1.096 176.964 175.800 0.112 0.000 1.120 583 F CA 0.668 58.832 58.000 0.273 0.000 1.232 583 F CB 1.136 40.235 39.000 0.165 0.000 1.175 583 F HN 0.423 nan 8.300 nan 0.000 0.569 584 K N 2.098 122.675 120.400 0.294 0.000 2.281 584 K HA 0.175 4.495 4.320 -0.000 0.000 0.272 584 K C -0.902 175.809 176.600 0.186 0.000 1.048 584 K CA -0.698 55.693 56.287 0.174 0.000 0.898 584 K CB 0.714 33.279 32.500 0.107 0.000 1.128 584 K HN 0.545 nan 8.250 nan 0.000 0.460 585 H N 1.567 120.672 119.070 0.057 0.000 2.629 585 H HA 0.084 4.640 4.556 -0.000 0.000 0.357 585 H C -0.846 174.513 175.328 0.051 0.000 1.121 585 H CA 0.405 56.463 56.048 0.016 0.000 1.406 585 H CB 0.876 30.620 29.762 -0.029 0.000 1.456 585 H HN 0.438 nan 8.280 nan 0.000 0.579 586 D N 3.832 123.969 120.400 -0.437 0.000 2.346 586 D HA 0.093 4.733 4.640 -0.000 0.000 0.255 586 D C 1.012 177.170 176.300 -0.237 0.000 1.276 586 D CA -0.482 53.403 54.000 -0.191 0.000 0.941 586 D CB 0.447 41.226 40.800 -0.036 0.000 1.199 586 D HN 0.764 nan 8.370 nan 0.000 0.537 587 R N 2.470 122.895 120.500 -0.124 0.000 2.134 587 R HA -0.264 4.075 4.340 -0.000 0.000 0.248 587 R C 1.075 177.448 176.300 0.122 0.000 1.143 587 R CA 2.330 58.472 56.100 0.069 0.000 0.957 587 R CB 0.279 30.671 30.300 0.154 0.000 0.867 587 R HN 0.335 nan 8.270 nan 0.000 0.441 588 E N -0.011 120.250 120.200 0.100 0.000 2.023 588 E HA -0.226 4.123 4.350 -0.000 0.000 0.196 588 E C 2.244 178.950 176.600 0.176 0.000 1.003 588 E CA 1.500 57.972 56.400 0.121 0.000 0.809 588 E CB -0.149 29.615 29.700 0.107 0.000 0.755 588 E HN 0.312 nan 8.360 nan 0.000 0.449 589 Q N -0.232 119.699 119.800 0.219 0.000 2.045 589 Q HA -0.212 4.128 4.340 -0.000 0.000 0.206 589 Q C 2.211 178.425 176.000 0.356 0.000 0.991 589 Q CA 1.510 57.539 55.803 0.377 0.000 0.851 589 Q CB -0.805 28.176 28.738 0.405 0.000 0.911 589 Q HN 0.408 nan 8.270 nan 0.000 0.418 590 Y N 2.195 122.562 120.300 0.112 0.000 2.139 590 Y HA -0.277 4.273 4.550 -0.000 0.000 0.282 590 Y C 2.159 178.083 175.900 0.039 0.000 1.179 590 Y CA 1.864 59.974 58.100 0.017 0.000 1.161 590 Y CB -0.258 38.201 38.460 -0.002 0.000 0.970 590 Y HN 0.185 nan 8.280 nan 0.000 0.511 591 Q N -0.704 119.100 119.800 0.007 0.000 2.124 591 Q HA -0.165 4.175 4.340 -0.000 0.000 0.202 591 Q C 2.305 178.290 176.000 -0.026 0.000 0.977 591 Q CA 1.155 56.907 55.803 -0.085 0.000 0.850 591 Q CB -0.508 28.233 28.738 0.004 0.000 0.901 591 Q HN 0.433 nan 8.270 nan 0.000 0.429 592 L N -0.268 121.025 121.223 0.115 0.000 2.131 592 L HA -0.130 4.210 4.340 -0.000 0.000 0.210 592 L C 2.201 179.247 176.870 0.292 0.000 1.092 592 L CA 1.291 56.259 54.840 0.213 0.000 0.759 592 L CB -1.063 41.217 42.059 0.369 0.000 0.903 592 L HN 0.147 nan 8.230 nan 0.000 0.435 593 F N 0.659 120.576 119.950 -0.056 0.000 2.084 593 F HA -0.213 4.314 4.527 -0.000 0.000 0.296 593 F C 2.606 178.229 175.800 -0.295 0.000 1.111 593 F CA 1.381 59.127 58.000 -0.424 0.000 1.224 593 F CB -0.415 37.736 39.000 -1.415 0.000 0.991 593 F HN 0.055 nan 8.300 nan 0.000 0.471 594 C N 0.693 119.838 119.300 -0.258 0.000 2.443 594 C HA -0.119 4.341 4.460 -0.000 0.000 0.290 594 C C 2.184 177.082 174.990 -0.153 0.000 1.476 594 C CA 0.551 59.431 59.018 -0.230 0.000 1.772 594 C CB -1.491 26.096 27.740 -0.255 0.000 1.714 594 C HN 0.434 nan 8.230 nan 0.000 0.562 595 D N 0.964 121.282 120.400 -0.137 0.000 2.219 595 D HA -0.065 4.575 4.640 -0.000 0.000 0.205 595 D C 1.991 178.210 176.300 -0.135 0.000 0.970 595 D CA 1.087 55.018 54.000 -0.116 0.000 0.851 595 D CB -0.149 40.612 40.800 -0.065 0.000 0.943 595 D HN 0.395 nan 8.370 nan 0.000 0.488 596 S N -0.673 114.934 115.700 -0.155 0.000 2.631 596 S HA 0.079 4.549 4.470 -0.000 0.000 0.217 596 S C 0.418 174.999 174.600 -0.031 0.000 0.958 596 S CA -0.377 57.746 58.200 -0.129 0.000 0.920 596 S CB 0.073 63.162 63.200 -0.185 0.000 0.776 596 S HN 0.197 nan 8.310 nan 0.000 0.517 597 F N 3.206 123.038 119.950 -0.198 0.000 2.584 597 F HA 0.325 4.852 4.527 -0.000 0.000 0.328 597 F C -2.487 173.225 175.800 -0.147 0.000 1.407 597 F CA -2.053 55.931 58.000 -0.028 0.000 1.145 597 F CB 1.370 40.325 39.000 -0.076 0.000 1.440 597 F HN -0.067 nan 8.300 nan 0.000 0.580 598 P HA 0.074 nan 4.420 nan 0.000 0.249 598 P C -1.096 175.425 177.300 -1.298 0.000 1.686 598 P CA 0.608 63.162 63.100 -0.909 0.000 0.873 598 P CB -0.679 30.520 31.700 -0.835 0.000 1.828 599 F N -0.279 119.334 119.950 -0.562 0.000 2.599 599 F HA 0.335 4.862 4.527 -0.000 0.000 0.311 599 F C 0.764 176.436 175.800 -0.215 0.000 1.076 599 F CA -1.423 56.309 58.000 -0.448 0.000 0.937 599 F CB 1.253 39.886 39.000 -0.612 0.000 1.282 599 F HN -0.136 nan 8.300 nan 0.000 0.460 600 E N -0.087 120.183 120.200 0.117 0.000 2.366 600 E HA 0.427 4.777 4.350 -0.000 0.000 0.266 600 E C -0.643 176.083 176.600 0.209 0.000 1.051 600 E CA -0.614 55.862 56.400 0.127 0.000 0.884 600 E CB 1.166 30.911 29.700 0.075 0.000 1.006 600 E HN 0.617 nan 8.360 nan 0.000 0.417 601 T N 0.187 114.856 114.554 0.192 0.000 2.895 601 T HA 0.285 4.635 4.350 -0.000 0.000 0.283 601 T C 0.246 175.009 174.700 0.104 0.000 1.014 601 T CA -0.854 61.352 62.100 0.176 0.000 1.037 601 T CB 1.470 70.426 68.868 0.147 0.000 1.006 601 T HN 0.406 nan 8.240 nan 0.000 0.468 602 T N 4.701 119.304 114.554 0.081 0.000 2.900 602 T HA 0.200 4.550 4.350 -0.000 0.000 0.307 602 T C -1.401 173.326 174.700 0.045 0.000 1.065 602 T CA -0.829 61.305 62.100 0.057 0.000 1.105 602 T CB 0.644 69.539 68.868 0.045 0.000 0.979 602 T HN 0.464 nan 8.240 nan 0.000 0.544 603 P HA -0.114 nan 4.420 nan 0.000 0.214 603 P C 0.813 178.129 177.300 0.027 0.000 1.163 603 P CA 1.233 64.353 63.100 0.033 0.000 0.889 603 P CB 0.050 31.767 31.700 0.029 0.000 0.790 604 D N -1.333 119.081 120.400 0.022 0.000 2.144 604 D HA -0.185 4.454 4.640 -0.000 0.000 0.199 604 D C 2.105 178.413 176.300 0.013 0.000 0.984 604 D CA 0.829 54.839 54.000 0.016 0.000 0.834 604 D CB -0.505 40.303 40.800 0.014 0.000 0.955 604 D HN 0.259 nan 8.370 nan 0.000 0.465 605 Q N 0.161 119.970 119.800 0.014 0.000 2.020 605 Q HA -0.172 4.168 4.340 -0.000 0.000 0.202 605 Q C 2.173 178.178 176.000 0.008 0.000 0.982 605 Q CA 1.593 57.399 55.803 0.004 0.000 0.838 605 Q CB -0.128 28.616 28.738 0.010 0.000 0.899 605 Q HN 0.335 nan 8.270 nan 0.000 0.423 606 A N 0.266 123.101 122.820 0.026 0.000 1.930 606 A HA -0.216 4.104 4.320 -0.000 0.000 0.217 606 A C 1.886 179.485 177.584 0.025 0.000 1.175 606 A CA 1.417 53.475 52.037 0.035 0.000 0.627 606 A CB -0.457 18.573 19.000 0.050 0.000 0.815 606 A HN 0.469 nan 8.150 nan 0.000 0.443 607 Q N -0.723 119.089 119.800 0.020 0.000 2.124 607 Q HA -0.099 4.241 4.340 -0.000 0.000 0.202 607 Q C 2.388 178.392 176.000 0.006 0.000 0.977 607 Q CA 1.281 57.093 55.803 0.014 0.000 0.850 607 Q CB -0.323 28.424 28.738 0.015 0.000 0.901 607 Q HN 0.703 nan 8.270 nan 0.000 0.429 608 A N 0.831 123.653 122.820 0.003 0.000 1.897 608 A HA -0.128 4.192 4.320 -0.000 0.000 0.215 608 A C 2.004 179.581 177.584 -0.011 0.000 1.181 608 A CA 0.788 52.823 52.037 -0.003 0.000 0.620 608 A CB -0.512 18.485 19.000 -0.005 0.000 0.821 608 A HN 0.259 nan 8.150 nan 0.000 0.443 609 I N 0.282 120.847 120.570 -0.009 0.000 2.091 609 I HA -0.328 3.841 4.170 -0.000 0.000 0.239 609 I C 2.183 178.285 176.117 -0.025 0.000 1.061 609 I CA 1.598 62.892 61.300 -0.010 0.000 1.317 609 I CB -0.628 37.383 38.000 0.018 0.000 1.031 609 I HN 0.324 nan 8.210 nan 0.000 0.401 610 N N 1.155 119.847 118.700 -0.013 0.000 2.104 610 N HA -0.177 4.563 4.740 -0.000 0.000 0.190 610 N C 1.852 177.332 175.510 -0.050 0.000 1.024 610 N CA 1.721 54.748 53.050 -0.038 0.000 0.853 610 N CB -0.538 37.941 38.487 -0.014 0.000 1.008 610 N HN 0.412 nan 8.380 nan 0.000 0.424 611 A N 0.815 123.618 122.820 -0.028 0.000 1.865 611 A HA -0.122 4.198 4.320 -0.000 0.000 0.217 611 A C 2.535 180.098 177.584 -0.034 0.000 1.191 611 A CA 1.755 53.779 52.037 -0.022 0.000 0.623 611 A CB -0.938 18.058 19.000 -0.006 0.000 0.826 611 A HN 0.117 nan 8.150 nan 0.000 0.444 612 V N 0.014 119.903 119.914 -0.041 0.000 2.407 612 V HA -0.253 3.867 4.120 -0.000 0.000 0.248 612 V C 2.561 178.604 176.094 -0.085 0.000 1.055 612 V CA 1.901 64.168 62.300 -0.055 0.000 1.049 612 V CB -0.782 31.008 31.823 -0.055 0.000 0.662 612 V HN 0.544 nan 8.190 nan 0.000 0.455 613 L N 0.574 121.731 121.223 -0.110 0.000 2.027 613 L HA -0.163 4.177 4.340 -0.000 0.000 0.206 613 L C 2.845 179.634 176.870 -0.135 0.000 1.074 613 L CA 1.902 56.642 54.840 -0.167 0.000 0.745 613 L CB -0.714 41.188 42.059 -0.262 0.000 0.898 613 L HN 0.581 nan 8.230 nan 0.000 0.433 614 S N -0.360 115.275 115.700 -0.108 0.000 2.351 614 S HA -0.248 4.222 4.470 -0.000 0.000 0.220 614 S C 1.667 176.253 174.600 -0.023 0.000 1.035 614 S CA 1.571 59.729 58.200 -0.069 0.000 1.031 614 S CB -0.581 62.590 63.200 -0.049 0.000 0.928 614 S HN 0.342 nan 8.310 nan 0.000 0.433 615 D N 1.632 122.022 120.400 -0.017 0.000 2.126 615 D HA -0.137 4.503 4.640 -0.000 0.000 0.190 615 D C 2.087 178.415 176.300 0.046 0.000 1.001 615 D CA 1.730 55.734 54.000 0.007 0.000 0.841 615 D CB -0.555 40.242 40.800 -0.004 0.000 0.949 615 D HN 0.451 nan 8.370 nan 0.000 0.446 616 M N -0.103 119.518 119.600 0.035 0.000 2.143 616 M HA -0.210 4.270 4.480 -0.000 0.000 0.258 616 M C 2.409 178.906 176.300 0.330 0.000 1.071 616 M CA 1.046 56.428 55.300 0.137 0.000 1.088 616 M CB -0.395 32.126 32.600 -0.130 0.000 1.360 616 M HN 0.138 nan 8.290 nan 0.000 0.404 617 C N 0.261 119.660 119.300 0.166 0.000 2.432 617 C HA -0.065 4.395 4.460 -0.000 0.000 0.282 617 C C 1.453 176.497 174.990 0.090 0.000 1.388 617 C CA 0.283 59.390 59.018 0.149 0.000 1.777 617 C CB -0.988 26.784 27.740 0.053 0.000 1.882 617 C HN 0.468 nan 8.230 nan 0.000 0.520 618 Q N 0.466 120.306 119.800 0.068 0.000 2.260 618 Q HA 0.136 4.476 4.340 -0.000 0.000 0.242 618 Q C -1.616 174.395 176.000 0.019 0.000 0.932 618 Q CA -1.353 54.467 55.803 0.027 0.000 0.891 618 Q CB 0.436 29.185 28.738 0.017 0.000 1.222 618 Q HN 0.134 nan 8.270 nan 0.000 0.453 619 P HA -0.172 nan 4.420 nan 0.000 0.218 619 P C -0.240 177.047 177.300 -0.021 0.000 1.146 619 P CA 1.282 64.355 63.100 -0.044 0.000 0.813 619 P CB 0.135 31.804 31.700 -0.052 0.000 0.778 620 L N -0.814 120.403 121.223 -0.009 0.000 2.349 620 L HA 0.346 4.685 4.340 -0.000 0.000 0.275 620 L C 0.810 177.679 176.870 -0.002 0.000 1.115 620 L CA -1.270 53.561 54.840 -0.016 0.000 0.820 620 L CB 0.132 42.173 42.059 -0.030 0.000 1.135 620 L HN -0.118 nan 8.230 nan 0.000 0.445 621 A N 4.687 127.498 122.820 -0.014 0.000 2.531 621 A HA 0.223 4.543 4.320 -0.000 0.000 0.236 621 A C 0.033 177.601 177.584 -0.026 0.000 1.062 621 A CA -0.067 51.968 52.037 -0.004 0.000 0.760 621 A CB 0.300 19.285 19.000 -0.026 0.000 0.995 621 A HN 0.847 nan 8.150 nan 0.000 0.501 622 M N 1.333 120.933 119.600 0.000 0.000 2.283 622 M HA 0.426 4.906 4.480 -0.000 0.000 0.314 622 M C -0.880 175.389 176.300 -0.051 0.000 1.153 622 M CA 0.014 55.299 55.300 -0.025 0.000 1.084 622 M CB 1.015 33.614 32.600 -0.001 0.000 1.468 622 M HN 0.667 nan 8.290 nan 0.000 0.474 623 D N 2.462 122.826 120.400 -0.060 0.000 3.171 623 D HA 0.212 4.851 4.640 -0.000 0.000 0.240 623 D C -1.522 174.759 176.300 -0.031 0.000 1.432 623 D CA -0.144 53.823 54.000 -0.055 0.000 0.892 623 D CB 0.647 41.400 40.800 -0.078 0.000 1.499 623 D HN 0.719 nan 8.370 nan 0.000 0.597 624 R N 1.135 121.624 120.500 -0.018 0.000 2.787 624 R HA 0.784 5.124 4.340 -0.000 0.000 0.271 624 R C -1.362 174.942 176.300 0.007 0.000 0.993 624 R CA -0.777 55.324 56.100 0.002 0.000 0.993 624 R CB 1.392 31.690 30.300 -0.002 0.000 1.155 624 R HN 0.190 nan 8.270 nan 0.000 0.486 625 L N 2.738 123.973 121.223 0.020 0.000 2.408 625 L HA 0.544 4.884 4.340 -0.000 0.000 0.268 625 L C -1.815 175.069 176.870 0.025 0.000 0.986 625 L CA -0.566 54.289 54.840 0.025 0.000 0.820 625 L CB 2.385 44.465 42.059 0.036 0.000 1.303 625 L HN 0.384 nan 8.230 nan 0.000 0.411 626 V N 3.272 123.200 119.914 0.024 0.000 2.531 626 V HA 0.373 4.493 4.120 -0.000 0.000 0.301 626 V C -0.549 175.560 176.094 0.024 0.000 1.034 626 V CA -0.636 61.676 62.300 0.020 0.000 0.865 626 V CB 1.643 33.472 31.823 0.011 0.000 0.995 626 V HN 0.919 nan 8.190 nan 0.000 0.424 627 C N 4.719 124.031 119.300 0.019 0.000 2.289 627 C HA 0.657 5.117 4.460 -0.000 0.000 0.340 627 C C 1.375 176.370 174.990 0.009 0.000 1.152 627 C CA -0.509 58.519 59.018 0.017 0.000 1.650 627 C CB -0.875 26.870 27.740 0.008 0.000 2.203 627 C HN 1.062 nan 8.230 nan 0.000 0.511 628 G N 2.523 111.330 108.800 0.012 0.000 2.504 628 G HA2 0.611 4.571 3.960 -0.000 0.000 0.257 628 G HA3 0.611 4.571 3.960 -0.000 0.000 0.257 628 G C -0.647 174.253 174.900 -0.001 0.000 1.451 628 G CA -0.003 45.098 45.100 0.001 0.000 1.059 628 G HN 0.787 nan 8.290 nan 0.000 0.550 629 D N -2.905 117.491 120.400 -0.006 0.000 2.717 629 D HA 0.067 4.707 4.640 -0.000 0.000 0.223 629 D C -0.415 175.880 176.300 -0.009 0.000 1.240 629 D CA -0.653 53.345 54.000 -0.003 0.000 0.801 629 D CB 1.317 42.118 40.800 0.002 0.000 1.556 629 D HN 0.205 nan 8.370 nan 0.000 0.462 630 V N 1.182 121.093 119.914 -0.006 0.000 3.297 630 V HA 0.323 4.442 4.120 -0.000 0.000 0.357 630 V C 1.262 177.358 176.094 0.004 0.000 1.238 630 V CA 0.726 63.020 62.300 -0.009 0.000 1.454 630 V CB -0.830 30.986 31.823 -0.012 0.000 1.159 630 V HN 0.585 nan 8.190 nan 0.000 0.435 631 G N -1.070 107.735 108.800 0.008 0.000 2.477 631 G HA2 0.425 4.385 3.960 -0.000 0.000 0.304 631 G HA3 0.425 4.385 3.960 -0.000 0.000 0.304 631 G C -0.717 174.217 174.900 0.057 0.000 1.175 631 G CA -0.628 44.495 45.100 0.039 0.000 0.907 631 G HN 0.209 nan 8.290 nan 0.000 0.509 632 F N 1.008 120.924 119.950 -0.056 0.000 2.541 632 F HA 0.425 4.952 4.527 -0.000 0.000 0.378 632 F C 1.282 177.075 175.800 -0.012 0.000 1.068 632 F CA 0.792 58.747 58.000 -0.075 0.000 1.199 632 F CB 0.659 39.576 39.000 -0.139 0.000 1.091 632 F HN 0.960 nan 8.300 nan 0.000 0.555 633 G N 4.128 112.527 108.800 -0.667 0.000 2.157 633 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.239 633 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.239 633 G C 1.071 175.776 174.900 -0.326 0.000 0.982 633 G CA 0.242 45.034 45.100 -0.513 0.000 0.650 633 G HN 0.594 nan 8.290 nan 0.000 0.527 634 K N 0.220 120.490 120.400 -0.215 0.000 2.365 634 K HA 0.170 4.489 4.320 -0.000 0.000 0.199 634 K C 2.373 178.874 176.600 -0.165 0.000 1.045 634 K CA 1.330 57.529 56.287 -0.146 0.000 0.962 634 K CB -0.487 31.962 32.500 -0.084 0.000 0.759 634 K HN 0.338 nan 8.250 nan 0.000 0.469 635 T N 0.519 114.938 114.554 -0.224 0.000 2.915 635 T HA -0.083 4.267 4.350 -0.000 0.000 0.269 635 T C 1.326 175.881 174.700 -0.242 0.000 1.071 635 T CA 0.856 62.824 62.100 -0.219 0.000 1.132 635 T CB -0.005 68.707 68.868 -0.261 0.000 0.878 635 T HN 0.159 nan 8.240 nan 0.000 0.479 636 E N 0.742 120.732 120.200 -0.350 0.000 2.097 636 E HA -0.111 4.238 4.350 -0.000 0.000 0.196 636 E C 2.309 178.804 176.600 -0.176 0.000 1.000 636 E CA 0.856 57.026 56.400 -0.384 0.000 0.804 636 E CB -0.681 28.613 29.700 -0.677 0.000 0.740 636 E HN 0.337 nan 8.360 nan 0.000 0.454 637 V N 1.437 121.272 119.914 -0.131 0.000 2.250 637 V HA -0.352 3.768 4.120 -0.000 0.000 0.253 637 V C 2.416 178.505 176.094 -0.009 0.000 1.065 637 V CA 2.367 64.634 62.300 -0.055 0.000 1.039 637 V CB -0.802 30.996 31.823 -0.041 0.000 0.647 637 V HN 0.345 nan 8.190 nan 0.000 0.446 638 A N -1.606 121.221 122.820 0.012 0.000 2.014 638 A HA -0.129 4.191 4.320 -0.000 0.000 0.218 638 A C 2.152 179.843 177.584 0.180 0.000 1.163 638 A CA 1.552 53.645 52.037 0.095 0.000 0.652 638 A CB -0.371 18.719 19.000 0.151 0.000 0.808 638 A HN 0.428 nan 8.150 nan 0.000 0.449 639 M N -0.023 119.637 119.600 0.100 0.000 2.086 639 M HA -0.111 4.369 4.480 -0.000 0.000 0.261 639 M C 2.177 178.680 176.300 0.338 0.000 1.067 639 M CA 1.463 56.915 55.300 0.254 0.000 1.116 639 M CB -1.263 31.378 32.600 0.068 0.000 1.348 639 M HN 0.425 nan 8.290 nan 0.000 0.407 640 R N -0.063 120.552 120.500 0.192 0.000 2.070 640 R HA -0.055 4.285 4.340 -0.000 0.000 0.233 640 R C 2.326 178.659 176.300 0.055 0.000 1.137 640 R CA 1.554 57.740 56.100 0.144 0.000 0.945 640 R CB -0.825 29.568 30.300 0.156 0.000 0.845 640 R HN 0.393 nan 8.270 nan 0.000 0.430 641 A N 1.758 124.588 122.820 0.016 0.000 1.873 641 A HA -0.196 4.123 4.320 -0.000 0.000 0.218 641 A C 2.454 179.976 177.584 -0.104 0.000 1.193 641 A CA 2.055 54.040 52.037 -0.087 0.000 0.629 641 A CB -0.804 18.145 19.000 -0.084 0.000 0.826 641 A HN 0.430 nan 8.150 nan 0.000 0.447 642 A N -1.791 121.058 122.820 0.048 0.000 2.019 642 A HA -0.031 4.289 4.320 -0.000 0.000 0.219 642 A C 2.006 179.603 177.584 0.022 0.000 1.164 642 A CA 1.588 53.646 52.037 0.036 0.000 0.644 642 A CB -0.657 18.470 19.000 0.211 0.000 0.805 642 A HN 0.694 nan 8.150 nan 0.000 0.449 643 F N 0.018 119.917 119.950 -0.084 0.000 2.146 643 F HA -0.081 4.446 4.527 -0.000 0.000 0.298 643 F C 1.790 177.378 175.800 -0.354 0.000 1.096 643 F CA 1.516 59.286 58.000 -0.384 0.000 1.275 643 F CB -0.245 37.997 39.000 -1.263 0.000 1.008 643 F HN 0.214 nan 8.300 nan 0.000 0.480 644 L N 0.812 121.844 121.223 -0.319 0.000 2.046 644 L HA -0.050 4.290 4.340 -0.000 0.000 0.208 644 L C 2.461 179.106 176.870 -0.374 0.000 1.077 644 L CA 2.106 56.748 54.840 -0.330 0.000 0.747 644 L CB -1.399 40.503 42.059 -0.262 0.000 0.896 644 L HN 0.145 nan 8.230 nan 0.000 0.432 645 A N -0.933 121.630 122.820 -0.429 0.000 1.883 645 A HA -0.186 4.134 4.320 -0.000 0.000 0.217 645 A C 2.222 179.670 177.584 -0.227 0.000 1.186 645 A CA 2.373 54.206 52.037 -0.340 0.000 0.624 645 A CB -1.231 17.559 19.000 -0.349 0.000 0.822 645 A HN 0.331 nan 8.150 nan 0.000 0.444 646 V N 0.364 120.081 119.914 -0.328 0.000 2.427 646 V HA -0.216 3.904 4.120 -0.000 0.000 0.248 646 V C 2.243 178.065 176.094 -0.453 0.000 1.051 646 V CA 2.256 64.355 62.300 -0.335 0.000 1.048 646 V CB -0.913 30.727 31.823 -0.306 0.000 0.666 646 V HN 0.630 nan 8.190 nan 0.000 0.456 647 D N 0.475 120.530 120.400 -0.575 0.000 2.218 647 D HA -0.149 4.491 4.640 -0.000 0.000 0.204 647 D C 1.722 177.850 176.300 -0.286 0.000 0.976 647 D CA 0.974 54.661 54.000 -0.521 0.000 0.853 647 D CB -0.170 40.262 40.800 -0.614 0.000 0.939 647 D HN 0.366 nan 8.370 nan 0.000 0.481 648 N N -0.189 118.432 118.700 -0.132 0.000 2.268 648 N HA -0.032 4.708 4.740 -0.000 0.000 0.204 648 N C -0.479 175.099 175.510 0.113 0.000 1.124 648 N CA 0.071 53.181 53.050 0.100 0.000 0.838 648 N CB 0.198 38.867 38.487 0.305 0.000 0.994 648 N HN 0.338 nan 8.380 nan 0.000 0.489 649 H N -0.264 118.794 119.070 -0.021 0.000 2.756 649 H HA -0.133 4.423 4.556 -0.000 0.000 0.315 649 H C -0.360 174.928 175.328 -0.066 0.000 1.210 649 H CA 0.876 56.905 56.048 -0.031 0.000 1.150 649 H CB -1.186 28.575 29.762 -0.003 0.000 1.463 649 H HN 0.276 nan 8.280 nan 0.000 0.427 650 K N 0.989 121.362 120.400 -0.045 0.000 2.281 650 K HA 0.441 4.761 4.320 -0.000 0.000 0.242 650 K C 0.658 177.193 176.600 -0.108 0.000 0.971 650 K CA -0.799 55.428 56.287 -0.101 0.000 0.834 650 K CB 2.113 34.539 32.500 -0.122 0.000 1.181 650 K HN 0.198 nan 8.250 nan 0.000 0.435 651 Q N 0.573 120.298 119.800 -0.124 0.000 2.221 651 Q HA 0.478 4.818 4.340 -0.000 0.000 0.242 651 Q C -0.545 175.322 176.000 -0.222 0.000 0.940 651 Q CA -0.859 54.867 55.803 -0.128 0.000 0.896 651 Q CB 1.745 30.463 28.738 -0.033 0.000 1.226 651 Q HN 0.205 nan 8.270 nan 0.000 0.463 652 V N 0.365 120.148 119.914 -0.219 0.000 2.735 652 V HA 0.775 4.895 4.120 -0.000 0.000 0.310 652 V C -0.979 174.967 176.094 -0.247 0.000 1.061 652 V CA -0.762 61.377 62.300 -0.270 0.000 0.913 652 V CB 1.821 33.473 31.823 -0.285 0.000 1.005 652 V HN 0.847 nan 8.190 nan 0.000 0.428 653 A N 3.359 126.018 122.820 -0.268 0.000 2.371 653 A HA 0.896 5.216 4.320 -0.000 0.000 0.311 653 A C -1.261 176.219 177.584 -0.173 0.000 1.068 653 A CA -0.560 51.377 52.037 -0.166 0.000 0.744 653 A CB 1.942 20.834 19.000 -0.180 0.000 1.239 653 A HN 0.730 nan 8.150 nan 0.000 0.435 654 V N 3.781 123.601 119.914 -0.156 0.000 2.409 654 V HA 0.315 4.435 4.120 -0.000 0.000 0.290 654 V C -0.394 175.621 176.094 -0.131 0.000 1.017 654 V CA -0.242 61.961 62.300 -0.163 0.000 0.841 654 V CB 1.196 32.894 31.823 -0.209 0.000 1.003 654 V HN 0.794 nan 8.190 nan 0.000 0.426 655 L N 5.965 127.127 121.223 -0.101 0.000 2.290 655 L HA 0.699 5.039 4.340 -0.000 0.000 0.284 655 L C -0.247 176.680 176.870 0.094 0.000 1.078 655 L CA -0.498 54.325 54.840 -0.028 0.000 0.815 655 L CB 1.651 43.626 42.059 -0.141 0.000 1.162 655 L HN 0.607 nan 8.230 nan 0.000 0.435 656 V N 1.532 121.546 119.914 0.167 0.000 2.789 656 V HA 0.451 4.571 4.120 -0.000 0.000 0.311 656 V C -2.066 174.040 176.094 0.020 0.000 1.073 656 V CA -1.483 60.887 62.300 0.116 0.000 0.921 656 V CB 1.705 33.510 31.823 -0.029 0.000 1.009 656 V HN 0.504 nan 8.190 nan 0.000 0.426 657 P HA -0.033 nan 4.420 nan 0.000 0.219 657 P C 0.524 177.643 177.300 -0.302 0.000 1.146 657 P CA 1.797 64.477 63.100 -0.699 0.000 0.808 657 P CB 0.066 31.353 31.700 -0.688 0.000 0.779 658 T N -5.352 109.099 114.554 -0.173 0.000 2.923 658 T HA 0.320 4.670 4.350 -0.000 0.000 0.311 658 T C 0.892 175.509 174.700 -0.138 0.000 1.183 658 T CA -0.224 61.802 62.100 -0.124 0.000 1.020 658 T CB 1.210 70.021 68.868 -0.095 0.000 1.165 658 T HN -0.072 nan 8.240 nan 0.000 0.482 659 T N 0.589 115.021 114.554 -0.204 0.000 2.897 659 T HA -0.054 4.296 4.350 -0.000 0.000 0.271 659 T C 1.804 176.356 174.700 -0.247 0.000 1.084 659 T CA 0.515 62.419 62.100 -0.326 0.000 1.123 659 T CB -0.442 68.054 68.868 -0.620 0.000 0.865 659 T HN 0.523 nan 8.240 nan 0.000 0.496 660 L N 0.020 121.172 121.223 -0.119 0.000 2.056 660 L HA 0.060 4.400 4.340 -0.000 0.000 0.207 660 L C 2.579 179.465 176.870 0.028 0.000 1.078 660 L CA 1.375 56.208 54.840 -0.013 0.000 0.749 660 L CB -0.334 41.738 42.059 0.022 0.000 0.901 660 L HN 0.362 nan 8.230 nan 0.000 0.433 661 L N -1.152 120.087 121.223 0.027 0.000 2.179 661 L HA -0.052 4.288 4.340 -0.000 0.000 0.208 661 L C 2.791 179.777 176.870 0.193 0.000 1.096 661 L CA 0.740 55.644 54.840 0.106 0.000 0.779 661 L CB -0.804 41.328 42.059 0.122 0.000 0.922 661 L HN 0.174 nan 8.230 nan 0.000 0.443 662 A N 0.238 123.102 122.820 0.074 0.000 1.986 662 A HA -0.295 4.025 4.320 -0.000 0.000 0.220 662 A C 2.246 179.907 177.584 0.127 0.000 1.171 662 A CA 2.140 54.206 52.037 0.050 0.000 0.640 662 A CB -0.430 18.506 19.000 -0.107 0.000 0.811 662 A HN 0.422 nan 8.150 nan 0.000 0.451 663 Q N -0.532 119.339 119.800 0.118 0.000 2.163 663 Q HA -0.109 4.231 4.340 -0.000 0.000 0.198 663 Q C 2.145 178.295 176.000 0.250 0.000 0.954 663 Q CA 1.802 57.748 55.803 0.238 0.000 0.851 663 Q CB -0.385 28.505 28.738 0.254 0.000 0.928 663 Q HN 0.749 nan 8.270 nan 0.000 0.459 664 Q N -0.945 118.955 119.800 0.167 0.000 2.077 664 Q HA -0.256 4.084 4.340 -0.000 0.000 0.206 664 Q C 1.814 177.870 176.000 0.093 0.000 0.989 664 Q CA 1.739 57.593 55.803 0.084 0.000 0.853 664 Q CB -0.178 28.558 28.738 -0.004 0.000 0.907 664 Q HN 0.614 nan 8.270 nan 0.000 0.418 665 H N -1.067 118.102 119.070 0.164 0.000 2.326 665 H HA -0.155 4.401 4.556 -0.000 0.000 0.301 665 H C 1.870 177.432 175.328 0.390 0.000 1.081 665 H CA 1.541 57.736 56.048 0.245 0.000 1.334 665 H CB -0.557 29.384 29.762 0.297 0.000 1.385 665 H HN 0.459 nan 8.280 nan 0.000 0.504 666 Y N 2.100 122.593 120.300 0.321 0.000 2.040 666 Y HA -0.336 4.214 4.550 -0.000 0.000 0.275 666 Y C 2.209 178.245 175.900 0.226 0.000 1.171 666 Y CA 1.379 59.624 58.100 0.241 0.000 1.123 666 Y CB 0.056 38.609 38.460 0.154 0.000 0.963 666 Y HN 0.155 nan 8.280 nan 0.000 0.493 667 D N 0.165 120.660 120.400 0.159 0.000 2.103 667 D HA -0.229 4.410 4.640 -0.000 0.000 0.190 667 D C 1.758 178.094 176.300 0.061 0.000 0.997 667 D CA 1.521 55.526 54.000 0.007 0.000 0.833 667 D CB -0.834 39.986 40.800 0.033 0.000 0.961 667 D HN 0.384 nan 8.370 nan 0.000 0.447 668 N N 0.168 118.912 118.700 0.072 0.000 2.021 668 N HA -0.180 4.560 4.740 -0.000 0.000 0.198 668 N C 1.947 177.486 175.510 0.048 0.000 1.041 668 N CA 0.833 53.885 53.050 0.002 0.000 0.862 668 N CB -0.815 37.601 38.487 -0.118 0.000 1.048 668 N HN 0.210 nan 8.380 nan 0.000 0.427 669 F N 1.373 121.435 119.950 0.187 0.000 2.095 669 F HA -0.119 4.408 4.527 -0.000 0.000 0.298 669 F C 2.651 178.597 175.800 0.244 0.000 1.104 669 F CA 1.199 59.345 58.000 0.244 0.000 1.232 669 F CB -0.102 38.998 39.000 0.166 0.000 0.987 669 F HN 0.004 nan 8.300 nan 0.000 0.475 670 R N 0.385 121.070 120.500 0.308 0.000 2.082 670 R HA -0.186 4.154 4.340 -0.000 0.000 0.234 670 R C 2.057 178.479 176.300 0.203 0.000 1.136 670 R CA 2.161 58.369 56.100 0.181 0.000 0.935 670 R CB -1.020 29.244 30.300 -0.059 0.000 0.842 670 R HN 0.237 nan 8.270 nan 0.000 0.430 671 D N -0.214 120.266 120.400 0.134 0.000 2.158 671 D HA -0.129 4.511 4.640 -0.000 0.000 0.197 671 D C 1.990 178.384 176.300 0.156 0.000 0.995 671 D CA 0.932 55.001 54.000 0.116 0.000 0.846 671 D CB -0.149 40.693 40.800 0.071 0.000 0.941 671 D HN 0.182 nan 8.370 nan 0.000 0.456 672 R N -0.555 120.068 120.500 0.204 0.000 2.090 672 R HA 0.064 4.404 4.340 -0.000 0.000 0.228 672 R C 1.226 177.633 176.300 0.178 0.000 1.110 672 R CA 0.742 56.930 56.100 0.148 0.000 0.973 672 R CB -0.606 29.761 30.300 0.111 0.000 0.869 672 R HN 0.373 nan 8.270 nan 0.000 0.440 673 F N 0.183 120.295 119.950 0.270 0.000 2.645 673 F HA 0.297 4.824 4.527 -0.000 0.000 0.300 673 F C 1.765 177.818 175.800 0.422 0.000 1.115 673 F CA -0.097 58.152 58.000 0.415 0.000 1.355 673 F CB -0.352 38.901 39.000 0.423 0.000 1.026 673 F HN -0.023 nan 8.300 nan 0.000 0.536 674 A N 0.493 123.556 122.820 0.405 0.000 1.940 674 A HA -0.257 4.063 4.320 -0.000 0.000 0.221 674 A C 1.791 179.522 177.584 0.245 0.000 1.190 674 A CA 1.987 54.186 52.037 0.270 0.000 0.647 674 A CB -0.525 18.574 19.000 0.165 0.000 0.821 674 A HN 0.335 nan 8.150 nan 0.000 0.457 675 N N -1.367 117.489 118.700 0.260 0.000 2.455 675 N HA 0.218 4.958 4.740 -0.000 0.000 0.258 675 N C -1.450 173.944 175.510 -0.194 0.000 1.158 675 N CA 0.174 53.236 53.050 0.019 0.000 0.893 675 N CB -0.030 38.390 38.487 -0.111 0.000 1.173 675 N HN 0.605 nan 8.380 nan 0.000 0.503 676 W N 0.309 121.736 121.300 0.212 0.000 3.138 676 W HA 0.328 4.988 4.660 -0.000 0.000 0.331 676 W C -2.120 174.545 176.519 0.243 0.000 1.166 676 W CA -1.570 55.935 57.345 0.267 0.000 1.212 676 W CB 1.025 30.741 29.460 0.428 0.000 1.399 676 W HN -0.131 nan 8.180 nan 0.000 0.514 677 P HA 0.085 nan 4.420 nan 0.000 0.231 677 P C -0.611 176.851 177.300 0.270 0.000 1.756 677 P CA 0.438 63.698 63.100 0.267 0.000 0.990 677 P CB -0.026 31.794 31.700 0.200 0.000 1.973 678 V N 2.294 122.390 119.914 0.304 0.000 2.540 678 V HA 0.380 4.500 4.120 -0.000 0.000 0.302 678 V C 0.473 176.638 176.094 0.120 0.000 1.035 678 V CA -0.973 61.445 62.300 0.196 0.000 0.873 678 V CB 2.188 34.148 31.823 0.227 0.000 0.992 678 V HN 0.149 nan 8.190 nan 0.000 0.428 679 R N 4.695 125.229 120.500 0.057 0.000 2.202 679 R HA 0.611 4.951 4.340 -0.000 0.000 0.334 679 R C -0.971 175.332 176.300 0.006 0.000 1.036 679 R CA 0.054 56.183 56.100 0.048 0.000 0.878 679 R CB 0.121 30.445 30.300 0.041 0.000 1.067 679 R HN 0.706 nan 8.270 nan 0.000 0.457 680 I N 2.633 123.234 120.570 0.052 0.000 2.562 680 I HA 0.538 4.708 4.170 -0.000 0.000 0.301 680 I C -0.198 176.006 176.117 0.145 0.000 1.003 680 I CA -0.997 60.335 61.300 0.052 0.000 1.127 680 I CB 2.060 40.130 38.000 0.117 0.000 1.304 680 I HN 0.577 nan 8.210 nan 0.000 0.446 681 E N 4.661 124.881 120.200 0.032 0.000 2.416 681 E HA 0.559 4.909 4.350 -0.000 0.000 0.280 681 E C -1.716 174.674 176.600 -0.351 0.000 1.055 681 E CA -0.775 55.570 56.400 -0.091 0.000 0.825 681 E CB 2.166 31.831 29.700 -0.058 0.000 1.312 681 E HN 0.567 nan 8.360 nan 0.000 0.452 682 M N 3.419 122.699 119.600 -0.534 0.000 2.457 682 M HA 0.564 5.044 4.480 -0.000 0.000 0.300 682 M C -1.571 174.554 176.300 -0.292 0.000 1.141 682 M CA -0.826 54.175 55.300 -0.499 0.000 0.901 682 M CB 1.318 33.426 32.600 -0.820 0.000 1.687 682 M HN 0.441 nan 8.290 nan 0.000 0.449 683 I N 4.311 124.743 120.570 -0.230 0.000 2.390 683 I HA 0.515 4.685 4.170 -0.000 0.000 0.283 683 I C -0.428 175.570 176.117 -0.197 0.000 1.016 683 I CA 0.221 61.414 61.300 -0.178 0.000 1.151 683 I CB 0.908 38.814 38.000 -0.157 0.000 1.293 683 I HN 0.945 nan 8.210 nan 0.000 0.458 684 S N 6.084 121.674 115.700 -0.184 0.000 2.703 684 S HA 0.453 4.923 4.470 -0.000 0.000 0.273 684 S C 0.838 175.332 174.600 -0.176 0.000 1.178 684 S CA -0.794 57.264 58.200 -0.236 0.000 0.838 684 S CB 1.712 64.716 63.200 -0.327 0.000 1.178 684 S HN 0.542 nan 8.310 nan 0.000 0.494 685 R N -0.337 120.020 120.500 -0.237 0.000 2.185 685 R HA -0.001 4.339 4.340 -0.000 0.000 0.247 685 R C 0.771 177.150 176.300 0.133 0.000 1.159 685 R CA 1.827 57.871 56.100 -0.093 0.000 0.988 685 R CB -0.595 29.625 30.300 -0.135 0.000 0.871 685 R HN 0.702 nan 8.270 nan 0.000 0.458 686 F N 0.786 120.716 119.950 -0.035 0.000 2.740 686 F HA 0.130 4.657 4.527 -0.000 0.000 0.294 686 F C 0.330 176.117 175.800 -0.021 0.000 1.225 686 F CA -0.373 57.618 58.000 -0.015 0.000 1.426 686 F CB 0.186 39.189 39.000 0.005 0.000 1.021 686 F HN -0.237 nan 8.300 nan 0.000 0.508 687 R N 0.373 120.950 120.500 0.129 0.000 2.533 687 R HA 0.197 4.536 4.340 -0.000 0.000 0.288 687 R C -0.397 175.923 176.300 0.032 0.000 1.039 687 R CA -0.468 55.666 56.100 0.057 0.000 0.909 687 R CB 1.857 32.161 30.300 0.007 0.000 1.195 687 R HN 0.099 nan 8.270 nan 0.000 0.438 688 S N 0.727 116.443 115.700 0.027 0.000 2.579 688 S HA 0.174 4.643 4.470 -0.000 0.000 0.275 688 S C 1.513 176.114 174.600 0.002 0.000 1.345 688 S CA 0.015 58.225 58.200 0.016 0.000 1.031 688 S CB 1.457 64.666 63.200 0.015 0.000 0.892 688 S HN 0.694 nan 8.310 nan 0.000 0.529 689 A N 2.175 124.995 122.820 -0.000 0.000 2.009 689 A HA -0.226 4.094 4.320 -0.000 0.000 0.222 689 A C 2.155 179.731 177.584 -0.013 0.000 1.175 689 A CA 2.157 54.189 52.037 -0.009 0.000 0.651 689 A CB -0.887 18.110 19.000 -0.005 0.000 0.815 689 A HN 0.967 nan 8.150 nan 0.000 0.459 690 K N -0.377 120.018 120.400 -0.008 0.000 1.980 690 K HA -0.159 4.161 4.320 -0.000 0.000 0.208 690 K C 1.943 178.535 176.600 -0.013 0.000 1.043 690 K CA 1.406 57.687 56.287 -0.010 0.000 0.938 690 K CB -0.294 32.204 32.500 -0.004 0.000 0.724 690 K HN 0.581 nan 8.250 nan 0.000 0.438 691 E N 0.564 120.759 120.200 -0.008 0.000 2.136 691 E HA -0.302 4.048 4.350 -0.000 0.000 0.202 691 E C 2.291 178.875 176.600 -0.026 0.000 1.019 691 E CA 1.634 58.028 56.400 -0.009 0.000 0.819 691 E CB -0.101 29.601 29.700 0.002 0.000 0.739 691 E HN 0.432 nan 8.360 nan 0.000 0.458 692 Q N -0.027 119.754 119.800 -0.031 0.000 2.050 692 Q HA -0.149 4.191 4.340 -0.000 0.000 0.202 692 Q C 2.355 178.322 176.000 -0.056 0.000 0.980 692 Q CA 1.799 57.572 55.803 -0.050 0.000 0.840 692 Q CB -0.132 28.576 28.738 -0.049 0.000 0.898 692 Q HN 0.290 nan 8.270 nan 0.000 0.424 693 T N 0.741 115.269 114.554 -0.043 0.000 2.595 693 T HA -0.234 4.116 4.350 -0.000 0.000 0.264 693 T C 1.727 176.398 174.700 -0.048 0.000 1.058 693 T CA 1.628 63.701 62.100 -0.045 0.000 1.166 693 T CB -0.381 68.467 68.868 -0.032 0.000 0.863 693 T HN 0.183 nan 8.240 nan 0.000 0.415 694 Q N 0.722 120.501 119.800 -0.036 0.000 2.156 694 Q HA -0.120 4.219 4.340 -0.000 0.000 0.211 694 Q C 2.067 178.041 176.000 -0.043 0.000 0.995 694 Q CA 1.662 57.446 55.803 -0.032 0.000 0.877 694 Q CB -0.791 27.936 28.738 -0.019 0.000 0.920 694 Q HN 0.640 nan 8.270 nan 0.000 0.416 695 I N -0.655 119.884 120.570 -0.052 0.000 2.142 695 I HA -0.305 3.865 4.170 -0.000 0.000 0.240 695 I C 2.180 178.240 176.117 -0.095 0.000 1.078 695 I CA 1.008 62.267 61.300 -0.068 0.000 1.343 695 I CB -0.414 37.538 38.000 -0.081 0.000 1.046 695 I HN 0.209 nan 8.210 nan 0.000 0.405 696 L N 0.687 121.845 121.223 -0.109 0.000 2.013 696 L HA -0.292 4.047 4.340 -0.000 0.000 0.212 696 L C 2.928 179.722 176.870 -0.126 0.000 1.073 696 L CA 1.621 56.375 54.840 -0.144 0.000 0.753 696 L CB -0.861 41.118 42.059 -0.132 0.000 0.890 696 L HN 0.307 nan 8.230 nan 0.000 0.432 697 A N 0.075 122.843 122.820 -0.087 0.000 1.873 697 A HA -0.280 4.040 4.320 -0.000 0.000 0.218 697 A C 2.123 179.668 177.584 -0.065 0.000 1.193 697 A CA 2.139 54.135 52.037 -0.068 0.000 0.629 697 A CB -0.661 18.311 19.000 -0.046 0.000 0.826 697 A HN 0.508 nan 8.150 nan 0.000 0.447 698 E N -0.523 119.642 120.200 -0.058 0.000 2.070 698 E HA -0.162 4.188 4.350 -0.000 0.000 0.197 698 E C 1.988 178.553 176.600 -0.058 0.000 1.004 698 E CA 1.460 57.834 56.400 -0.045 0.000 0.805 698 E CB -0.407 29.273 29.700 -0.033 0.000 0.744 698 E HN 0.414 nan 8.360 nan 0.000 0.451 699 V N 1.400 121.256 119.914 -0.098 0.000 2.392 699 V HA -0.269 3.851 4.120 -0.000 0.000 0.249 699 V C 2.306 178.329 176.094 -0.118 0.000 1.059 699 V CA 1.791 64.015 62.300 -0.126 0.000 1.051 699 V CB -0.689 30.978 31.823 -0.261 0.000 0.658 699 V HN 0.326 nan 8.190 nan 0.000 0.455 700 A N -0.457 122.284 122.820 -0.130 0.000 2.067 700 A HA -0.170 4.150 4.320 -0.000 0.000 0.219 700 A C 2.038 179.599 177.584 -0.038 0.000 1.158 700 A CA 1.475 53.457 52.037 -0.093 0.000 0.661 700 A CB -0.331 18.612 19.000 -0.094 0.000 0.801 700 A HN 0.665 nan 8.150 nan 0.000 0.452 701 E N -1.913 118.268 120.200 -0.031 0.000 2.474 701 E HA 0.292 4.642 4.350 -0.000 0.000 0.194 701 E C 1.246 177.848 176.600 0.004 0.000 1.041 701 E CA 0.303 56.696 56.400 -0.012 0.000 0.874 701 E CB 0.132 29.824 29.700 -0.013 0.000 0.914 701 E HN 0.670 nan 8.360 nan 0.000 0.498 702 G N 1.792 110.598 108.800 0.010 0.000 2.234 702 G HA2 -0.357 3.603 3.960 -0.000 0.000 0.235 702 G HA3 -0.357 3.603 3.960 -0.000 0.000 0.235 702 G C 1.032 175.948 174.900 0.026 0.000 0.997 702 G CA 0.438 45.554 45.100 0.028 0.000 0.623 702 G HN 0.200 nan 8.290 nan 0.000 0.514 703 K N -0.242 120.166 120.400 0.015 0.000 2.152 703 K HA 0.020 4.340 4.320 -0.000 0.000 0.206 703 K C 0.943 177.552 176.600 0.015 0.000 1.048 703 K CA 0.963 57.260 56.287 0.017 0.000 0.933 703 K CB -0.001 32.505 32.500 0.010 0.000 0.721 703 K HN 0.390 nan 8.250 nan 0.000 0.447 704 I N 2.019 122.591 120.570 0.004 0.000 2.315 704 I HA -0.008 4.162 4.170 -0.000 0.000 0.291 704 I C 0.877 176.989 176.117 -0.008 0.000 1.006 704 I CA 0.142 61.438 61.300 -0.006 0.000 1.265 704 I CB 1.273 39.258 38.000 -0.025 0.000 1.387 704 I HN 0.047 nan 8.210 nan 0.000 0.475 705 D N 5.730 126.111 120.400 -0.033 0.000 2.149 705 D HA 0.139 4.779 4.640 -0.000 0.000 0.206 705 D C 0.596 176.814 176.300 -0.135 0.000 0.967 705 D CA 1.488 55.444 54.000 -0.072 0.000 0.848 705 D CB 0.782 41.532 40.800 -0.084 0.000 0.998 705 D HN 0.380 nan 8.370 nan 0.000 0.474 706 I N 1.799 122.253 120.570 -0.194 0.000 2.411 706 I HA 0.171 4.341 4.170 -0.000 0.000 0.284 706 I C -0.980 175.002 176.117 -0.226 0.000 1.012 706 I CA -0.804 60.317 61.300 -0.297 0.000 1.119 706 I CB 2.340 40.011 38.000 -0.548 0.000 1.261 706 I HN -0.167 nan 8.210 nan 0.000 0.448 707 L N 8.519 129.654 121.223 -0.147 0.000 2.262 707 L HA 0.551 4.891 4.340 -0.000 0.000 0.288 707 L C -0.496 176.284 176.870 -0.150 0.000 1.035 707 L CA -0.051 54.725 54.840 -0.108 0.000 0.820 707 L CB 0.708 42.773 42.059 0.010 0.000 1.204 707 L HN 0.395 nan 8.230 nan 0.000 0.424 708 I N 4.625 125.077 120.570 -0.197 0.000 2.396 708 I HA 0.668 4.838 4.170 -0.000 0.000 0.292 708 I C 0.738 176.753 176.117 -0.170 0.000 0.999 708 I CA -0.116 61.073 61.300 -0.185 0.000 1.310 708 I CB 1.416 39.328 38.000 -0.147 0.000 1.404 708 I HN 0.747 nan 8.210 nan 0.000 0.496 709 G N 3.076 111.794 108.800 -0.138 0.000 2.690 709 G HA2 0.514 4.474 3.960 -0.000 0.000 0.291 709 G HA3 0.514 4.474 3.960 -0.000 0.000 0.291 709 G C -1.162 173.667 174.900 -0.119 0.000 1.403 709 G CA -0.315 44.702 45.100 -0.137 0.000 0.864 709 G HN 0.434 nan 8.290 nan 0.000 0.480 710 T N -1.594 112.855 114.554 -0.174 0.000 2.880 710 T HA 0.303 4.653 4.350 -0.000 0.000 0.279 710 T C 1.897 176.484 174.700 -0.188 0.000 0.990 710 T CA 0.126 62.097 62.100 -0.215 0.000 0.938 710 T CB 0.444 69.074 68.868 -0.397 0.000 1.206 710 T HN 0.669 nan 8.240 nan 0.000 0.573 711 H N 0.494 119.525 119.070 -0.065 0.000 2.426 711 H HA -0.046 4.510 4.556 -0.000 0.000 0.298 711 H C 1.793 177.039 175.328 -0.136 0.000 1.107 711 H CA 1.331 57.278 56.048 -0.169 0.000 1.298 711 H CB -0.160 29.314 29.762 -0.480 0.000 1.377 711 H HN 0.459 nan 8.280 nan 0.000 0.519 712 K N 0.675 120.856 120.400 -0.365 0.000 2.520 712 K HA -0.041 4.279 4.320 -0.000 0.000 0.197 712 K C 2.078 178.625 176.600 -0.088 0.000 1.044 712 K CA 0.356 56.553 56.287 -0.149 0.000 0.938 712 K CB -0.005 32.353 32.500 -0.236 0.000 0.767 712 K HN 0.345 nan 8.250 nan 0.000 0.481 713 L N 0.165 121.332 121.223 -0.094 0.000 2.354 713 L HA -0.027 4.312 4.340 -0.000 0.000 0.212 713 L C 1.600 178.452 176.870 -0.030 0.000 1.091 713 L CA 0.506 55.303 54.840 -0.071 0.000 0.828 713 L CB 0.125 42.141 42.059 -0.071 0.000 0.973 713 L HN 0.212 nan 8.230 nan 0.000 0.461 714 L N -0.961 120.257 121.223 -0.008 0.000 2.102 714 L HA -0.142 4.197 4.340 -0.000 0.000 0.202 714 L C 2.414 179.326 176.870 0.069 0.000 1.076 714 L CA 0.810 55.666 54.840 0.027 0.000 0.761 714 L CB -0.505 41.575 42.059 0.035 0.000 0.921 714 L HN 0.198 nan 8.230 nan 0.000 0.444 715 Q N -0.129 119.737 119.800 0.110 0.000 2.294 715 Q HA -0.196 4.144 4.340 -0.000 0.000 0.215 715 Q C 0.401 176.435 176.000 0.057 0.000 1.000 715 Q CA 1.513 57.388 55.803 0.119 0.000 0.916 715 Q CB -0.078 28.736 28.738 0.127 0.000 0.932 715 Q HN 0.493 nan 8.270 nan 0.000 0.420 716 S N -0.381 115.332 115.700 0.023 0.000 2.739 716 S HA 0.256 4.726 4.470 -0.000 0.000 0.306 716 S C -0.620 173.975 174.600 -0.008 0.000 1.115 716 S CA -0.896 57.303 58.200 -0.002 0.000 0.985 716 S CB 1.367 64.551 63.200 -0.027 0.000 1.133 716 S HN 0.041 nan 8.310 nan 0.000 0.541 717 D N 2.184 122.573 120.400 -0.018 0.000 2.518 717 D HA 0.295 4.935 4.640 -0.000 0.000 0.230 717 D C -0.671 175.600 176.300 -0.049 0.000 1.138 717 D CA -0.056 53.934 54.000 -0.017 0.000 0.964 717 D CB 0.737 41.531 40.800 -0.010 0.000 1.011 717 D HN 0.138 nan 8.370 nan 0.000 0.517 718 V N 2.972 122.839 119.914 -0.077 0.000 2.585 718 V HA -0.008 4.112 4.120 -0.000 0.000 0.296 718 V C 0.821 176.798 176.094 -0.194 0.000 1.035 718 V CA 0.056 62.244 62.300 -0.187 0.000 1.084 718 V CB 1.092 32.736 31.823 -0.299 0.000 0.953 718 V HN 0.226 nan 8.190 nan 0.000 0.483 719 K N 5.104 125.373 120.400 -0.219 0.000 2.253 719 K HA 0.406 4.726 4.320 -0.000 0.000 0.277 719 K C -0.973 175.490 176.600 -0.229 0.000 1.053 719 K CA -0.381 55.825 56.287 -0.135 0.000 0.892 719 K CB 0.508 32.959 32.500 -0.082 0.000 1.102 719 K HN 0.443 nan 8.250 nan 0.000 0.469 720 F N 2.472 122.393 119.950 -0.048 0.000 2.375 720 F HA 0.224 4.750 4.527 -0.000 0.000 0.317 720 F C 1.615 177.387 175.800 -0.046 0.000 1.124 720 F CA -0.420 57.548 58.000 -0.054 0.000 1.050 720 F CB 0.957 39.919 39.000 -0.065 0.000 1.314 720 F HN 0.546 nan 8.300 nan 0.000 0.511 721 K N -0.076 120.430 120.400 0.177 0.000 2.141 721 K HA 0.056 4.376 4.320 -0.000 0.000 0.202 721 K C -0.484 176.152 176.600 0.060 0.000 1.045 721 K CA 1.069 57.403 56.287 0.078 0.000 0.971 721 K CB 0.278 32.809 32.500 0.053 0.000 0.795 721 K HN 0.450 nan 8.250 nan 0.000 0.459 722 D N 0.405 120.837 120.400 0.053 0.000 2.752 722 D HA 0.075 4.715 4.640 -0.000 0.000 0.242 722 D C -1.815 174.427 176.300 -0.097 0.000 1.295 722 D CA -0.384 53.600 54.000 -0.026 0.000 0.846 722 D CB 0.316 41.094 40.800 -0.037 0.000 1.454 722 D HN 0.102 nan 8.370 nan 0.000 0.535 723 L N 2.057 123.186 121.223 -0.156 0.000 2.456 723 L HA 0.575 4.915 4.340 -0.000 0.000 0.277 723 L C 1.203 177.894 176.870 -0.298 0.000 1.124 723 L CA 0.776 55.383 54.840 -0.389 0.000 0.880 723 L CB 0.830 42.438 42.059 -0.751 0.000 1.192 723 L HN 0.346 nan 8.230 nan 0.000 0.463 724 G N 5.128 113.778 108.800 -0.250 0.000 2.673 724 G HA2 0.161 4.121 3.960 -0.000 0.000 0.208 724 G HA3 0.161 4.121 3.960 -0.000 0.000 0.208 724 G C -0.151 174.731 174.900 -0.030 0.000 1.128 724 G CA 0.132 45.139 45.100 -0.155 0.000 0.805 724 G HN 0.483 nan 8.290 nan 0.000 0.526 725 L N 0.257 121.394 121.223 -0.142 0.000 2.401 725 L HA 0.816 5.155 4.340 -0.000 0.000 0.266 725 L C -1.795 174.945 176.870 -0.217 0.000 0.991 725 L CA -1.334 53.409 54.840 -0.161 0.000 0.818 725 L CB 2.341 44.263 42.059 -0.228 0.000 1.321 725 L HN -0.031 nan 8.230 nan 0.000 0.413 726 L N 5.695 126.811 121.223 -0.178 0.000 2.376 726 L HA 0.676 5.016 4.340 -0.000 0.000 0.275 726 L C -1.441 175.350 176.870 -0.132 0.000 0.987 726 L CA -0.122 54.611 54.840 -0.180 0.000 0.828 726 L CB 1.385 43.341 42.059 -0.173 0.000 1.249 726 L HN 0.584 nan 8.230 nan 0.000 0.409 727 I N 5.579 126.075 120.570 -0.123 0.000 2.404 727 I HA 0.538 4.708 4.170 -0.000 0.000 0.293 727 I C -0.833 175.234 176.117 -0.083 0.000 0.992 727 I CA -0.881 60.372 61.300 -0.078 0.000 1.149 727 I CB 2.013 39.990 38.000 -0.038 0.000 1.315 727 I HN 0.280 nan 8.210 nan 0.000 0.446 728 V N 4.709 124.588 119.914 -0.058 0.000 2.487 728 V HA 0.332 4.452 4.120 -0.000 0.000 0.298 728 V C -0.710 175.397 176.094 0.023 0.000 1.028 728 V CA -0.552 61.720 62.300 -0.046 0.000 0.860 728 V CB 2.023 33.791 31.823 -0.092 0.000 0.991 728 V HN 0.614 nan 8.190 nan 0.000 0.427 729 D N 3.329 123.769 120.400 0.066 0.000 2.168 729 D HA 0.327 4.966 4.640 -0.000 0.000 0.246 729 D C 0.160 176.534 176.300 0.125 0.000 1.050 729 D CA -0.107 53.952 54.000 0.098 0.000 0.857 729 D CB 1.088 41.954 40.800 0.110 0.000 1.169 729 D HN 0.563 nan 8.370 nan 0.000 0.453 730 E N 1.894 122.139 120.200 0.075 0.000 2.160 730 E HA -0.280 4.070 4.350 -0.000 0.000 0.180 730 E C 0.697 177.278 176.600 -0.032 0.000 1.452 730 E CA 0.550 56.926 56.400 -0.039 0.000 0.683 730 E CB -0.903 28.705 29.700 -0.154 0.000 1.072 730 E HN 0.776 nan 8.360 nan 0.000 0.332 731 E N 0.411 120.680 120.200 0.115 0.000 2.085 731 E HA -0.258 4.092 4.350 -0.000 0.000 0.194 731 E C 1.802 178.531 176.600 0.214 0.000 0.994 731 E CA 1.610 58.154 56.400 0.240 0.000 0.801 731 E CB -0.117 29.647 29.700 0.107 0.000 0.743 731 E HN 0.721 nan 8.360 nan 0.000 0.453 732 H N -0.292 118.874 119.070 0.159 0.000 2.539 732 H HA -0.062 4.494 4.556 -0.000 0.000 0.292 732 H C 1.347 176.735 175.328 0.100 0.000 1.069 732 H CA 1.445 57.559 56.048 0.111 0.000 1.244 732 H CB -0.274 29.525 29.762 0.061 0.000 1.365 732 H HN 0.077 nan 8.280 nan 0.000 0.575 733 R N -0.838 119.447 120.500 -0.360 0.000 2.334 733 R HA 0.113 4.453 4.340 -0.000 0.000 0.220 733 R C 0.570 176.757 176.300 -0.188 0.000 0.917 733 R CA 0.078 56.019 56.100 -0.265 0.000 1.073 733 R CB 0.062 30.102 30.300 -0.433 0.000 1.056 733 R HN 0.321 nan 8.270 nan 0.000 0.506 734 F N 0.212 120.139 119.950 -0.038 0.000 2.416 734 F HA 0.109 4.636 4.527 -0.000 0.000 0.296 734 F C 1.856 177.707 175.800 0.085 0.000 1.099 734 F CA 1.270 59.286 58.000 0.027 0.000 1.427 734 F CB 0.287 39.309 39.000 0.036 0.000 1.079 734 F HN 0.222 nan 8.300 nan 0.000 0.536 735 G N -0.286 108.639 108.800 0.208 0.000 2.659 735 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.214 735 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.214 735 G C 0.263 175.223 174.900 0.100 0.000 1.191 735 G CA -0.241 44.932 45.100 0.121 0.000 1.141 735 G HN -0.027 nan 8.290 nan 0.000 0.581 736 V N -0.024 119.916 119.914 0.043 0.000 3.629 736 V HA 0.299 4.419 4.120 -0.000 0.000 0.194 736 V C 2.393 178.477 176.094 -0.016 0.000 1.343 736 V CA 1.482 63.793 62.300 0.017 0.000 1.292 736 V CB -0.217 31.602 31.823 -0.007 0.000 1.287 736 V HN 0.730 nan 8.190 nan 0.000 0.554 737 R N 0.029 120.465 120.500 -0.106 0.000 2.133 737 R HA -0.240 4.100 4.340 -0.000 0.000 0.247 737 R C 2.212 178.458 176.300 -0.090 0.000 1.151 737 R CA 2.271 58.283 56.100 -0.148 0.000 0.971 737 R CB -0.277 29.858 30.300 -0.274 0.000 0.866 737 R HN 0.630 nan 8.270 nan 0.000 0.447 738 H N 0.246 119.338 119.070 0.037 0.000 2.343 738 H HA 0.020 4.575 4.556 -0.000 0.000 0.303 738 H C 1.980 177.293 175.328 -0.024 0.000 1.068 738 H CA 1.102 57.175 56.048 0.041 0.000 1.359 738 H CB -0.109 29.754 29.762 0.169 0.000 1.402 738 H HN 0.212 nan 8.280 nan 0.000 0.515 739 K N 0.878 121.359 120.400 0.134 0.000 2.113 739 K HA -0.173 4.147 4.320 -0.000 0.000 0.208 739 K C 2.008 178.608 176.600 -0.001 0.000 1.047 739 K CA 1.477 57.785 56.287 0.035 0.000 0.928 739 K CB 0.022 32.563 32.500 0.068 0.000 0.716 739 K HN 0.493 nan 8.250 nan 0.000 0.446 740 E N 0.236 120.444 120.200 0.013 0.000 2.046 740 E HA -0.178 4.172 4.350 -0.000 0.000 0.190 740 E C 2.090 178.687 176.600 -0.006 0.000 0.982 740 E CA 0.716 57.117 56.400 0.000 0.000 0.800 740 E CB -0.056 29.644 29.700 -0.001 0.000 0.756 740 E HN 0.084 nan 8.360 nan 0.000 0.449 741 R N 1.095 121.601 120.500 0.009 0.000 2.193 741 R HA -0.066 4.274 4.340 -0.000 0.000 0.229 741 R C 1.913 178.195 176.300 -0.031 0.000 1.110 741 R CA 0.897 57.002 56.100 0.008 0.000 0.988 741 R CB -0.180 30.152 30.300 0.054 0.000 0.871 741 R HN 0.207 nan 8.270 nan 0.000 0.458 742 I N -0.136 120.394 120.570 -0.067 0.000 2.400 742 I HA -0.120 4.050 4.170 -0.000 0.000 0.248 742 I C 2.452 178.519 176.117 -0.083 0.000 1.109 742 I CA 1.300 62.526 61.300 -0.123 0.000 1.425 742 I CB -0.378 37.489 38.000 -0.222 0.000 1.094 742 I HN 0.257 nan 8.210 nan 0.000 0.425 743 K N 1.319 121.686 120.400 -0.056 0.000 2.281 743 K HA -0.052 4.268 4.320 -0.000 0.000 0.203 743 K C 1.972 178.551 176.600 -0.035 0.000 1.046 743 K CA 1.421 57.684 56.287 -0.039 0.000 0.938 743 K CB -1.053 31.434 32.500 -0.021 0.000 0.737 743 K HN 0.490 nan 8.250 nan 0.000 0.458 744 A N 0.714 123.515 122.820 -0.033 0.000 1.833 744 A HA 0.079 4.399 4.320 -0.000 0.000 0.215 744 A C 2.357 179.921 177.584 -0.034 0.000 1.275 744 A CA 1.621 53.642 52.037 -0.025 0.000 0.602 744 A CB -0.582 18.409 19.000 -0.016 0.000 0.929 744 A HN 0.450 nan 8.150 nan 0.000 0.462 745 M N -0.680 118.898 119.600 -0.037 0.000 2.254 745 M HA -0.313 4.167 4.480 -0.000 0.000 0.252 745 M C 2.171 178.432 176.300 -0.064 0.000 1.094 745 M CA 2.145 57.418 55.300 -0.046 0.000 1.053 745 M CB -0.479 32.089 32.600 -0.054 0.000 1.371 745 M HN 0.598 nan 8.290 nan 0.000 0.405 746 R N 0.884 121.346 120.500 -0.064 0.000 2.147 746 R HA -0.067 4.273 4.340 -0.000 0.000 0.225 746 R C 0.698 176.965 176.300 -0.055 0.000 1.120 746 R CA 1.508 57.570 56.100 -0.064 0.000 0.891 746 R CB -0.494 29.773 30.300 -0.056 0.000 0.822 746 R HN 0.331 nan 8.270 nan 0.000 0.433 747 A N 0.119 122.913 122.820 -0.044 0.000 2.598 747 A HA 0.212 4.532 4.320 -0.000 0.000 0.239 747 A C 0.775 178.336 177.584 -0.039 0.000 1.032 747 A CA 1.371 53.385 52.037 -0.039 0.000 0.760 747 A CB -0.976 18.006 19.000 -0.030 0.000 0.946 747 A HN 0.989 nan 8.150 nan 0.000 0.512 748 N N -0.556 118.122 118.700 -0.036 0.000 2.940 748 N HA -0.108 4.632 4.740 -0.000 0.000 0.185 748 N C 0.254 175.739 175.510 -0.041 0.000 1.118 748 N CA 1.232 54.262 53.050 -0.034 0.000 1.014 748 N CB -2.163 36.304 38.487 -0.033 0.000 0.973 748 N HN 1.582 nan 8.380 nan 0.000 0.561 749 V N 0.680 120.564 119.914 -0.051 0.000 3.001 749 V HA 0.647 4.766 4.120 -0.000 0.000 0.314 749 V C -0.638 175.434 176.094 -0.037 0.000 1.099 749 V CA -0.822 61.443 62.300 -0.058 0.000 0.989 749 V CB 1.788 33.547 31.823 -0.106 0.000 1.040 749 V HN 0.491 nan 8.190 nan 0.000 0.434 750 D N 2.015 122.415 120.400 0.000 0.000 2.382 750 D HA 0.426 5.066 4.640 -0.000 0.000 0.245 750 D C -0.530 175.745 176.300 -0.043 0.000 1.120 750 D CA 0.190 54.199 54.000 0.015 0.000 0.890 750 D CB 0.688 41.556 40.800 0.113 0.000 1.201 750 D HN 0.174 nan 8.370 nan 0.000 0.433 751 I N 2.030 122.571 120.570 -0.049 0.000 2.646 751 I HA 0.448 4.617 4.170 -0.000 0.000 0.299 751 I C -0.957 175.128 176.117 -0.054 0.000 1.036 751 I CA -0.855 60.407 61.300 -0.063 0.000 1.074 751 I CB 1.754 39.717 38.000 -0.061 0.000 1.258 751 I HN 0.232 nan 8.210 nan 0.000 0.430 752 L N 5.034 126.224 121.223 -0.055 0.000 2.439 752 L HA 0.545 4.885 4.340 -0.000 0.000 0.270 752 L C -0.702 176.154 176.870 -0.023 0.000 0.972 752 L CA 0.181 54.998 54.840 -0.037 0.000 0.836 752 L CB 1.867 43.900 42.059 -0.042 0.000 1.255 752 L HN 0.551 nan 8.230 nan 0.000 0.404 753 T N 5.689 120.240 114.554 -0.006 0.000 2.895 753 T HA 0.773 5.123 4.350 -0.000 0.000 0.283 753 T C -0.564 174.155 174.700 0.031 0.000 1.014 753 T CA -0.387 61.720 62.100 0.012 0.000 1.037 753 T CB 1.277 70.156 68.868 0.018 0.000 1.006 753 T HN 0.500 nan 8.240 nan 0.000 0.468 754 L N 1.433 122.686 121.223 0.050 0.000 2.371 754 L HA 0.852 5.192 4.340 -0.000 0.000 0.262 754 L C -0.136 176.782 176.870 0.080 0.000 1.006 754 L CA -0.854 54.023 54.840 0.062 0.000 0.818 754 L CB 2.497 44.601 42.059 0.076 0.000 1.354 754 L HN 0.589 nan 8.230 nan 0.000 0.415 755 T N -0.371 114.228 114.554 0.075 0.000 3.159 755 T HA 0.520 4.870 4.350 -0.000 0.000 0.343 755 T C 0.246 174.985 174.700 0.066 0.000 1.364 755 T CA 0.336 62.493 62.100 0.095 0.000 1.102 755 T CB 1.761 70.703 68.868 0.124 0.000 1.263 755 T HN 0.699 nan 8.240 nan 0.000 0.477 756 A N 2.778 125.639 122.820 0.069 0.000 1.855 756 A HA 0.242 4.562 4.320 -0.000 0.000 0.213 756 A C 1.182 178.780 177.584 0.023 0.000 1.195 756 A CA 1.275 53.336 52.037 0.040 0.000 0.610 756 A CB -1.124 17.900 19.000 0.040 0.000 0.837 756 A HN 0.893 nan 8.150 nan 0.000 0.444 757 T N 2.530 117.100 114.554 0.027 0.000 2.923 757 T HA 0.322 4.672 4.350 -0.000 0.000 0.304 757 T C -2.140 172.546 174.700 -0.024 0.000 1.044 757 T CA -0.336 61.755 62.100 -0.015 0.000 1.141 757 T CB 0.421 69.264 68.868 -0.042 0.000 1.023 757 T HN 0.405 nan 8.240 nan 0.000 0.533 758 P HA 0.618 nan 4.420 nan 0.000 0.289 758 P C -0.692 176.571 177.300 -0.062 0.000 1.300 758 P CA -0.929 62.145 63.100 -0.043 0.000 0.828 758 P CB 1.313 32.987 31.700 -0.044 0.000 1.235 759 I N 0.035 120.579 120.570 -0.043 0.000 2.530 759 I HA 0.355 4.525 4.170 -0.000 0.000 0.297 759 I C -2.347 173.747 176.117 -0.038 0.000 1.011 759 I CA -3.003 58.272 61.300 -0.041 0.000 1.107 759 I CB 2.061 40.059 38.000 -0.003 0.000 1.285 759 I HN 0.119 nan 8.210 nan 0.000 0.436 760 P HA 0.069 nan 4.420 nan 0.000 0.268 760 P C 0.377 177.700 177.300 0.038 0.000 1.205 760 P CA -0.191 62.901 63.100 -0.014 0.000 0.771 760 P CB 0.625 32.325 31.700 0.000 0.000 0.858 761 R N 2.322 122.843 120.500 0.036 0.000 2.096 761 R HA -0.173 4.167 4.340 -0.000 0.000 0.240 761 R C 1.211 177.544 176.300 0.056 0.000 1.139 761 R CA 2.562 58.684 56.100 0.037 0.000 0.952 761 R CB -1.183 29.134 30.300 0.028 0.000 0.854 761 R HN 0.415 nan 8.270 nan 0.000 0.436 762 T N 2.357 116.961 114.554 0.084 0.000 2.531 762 T HA -0.269 4.081 4.350 -0.000 0.000 0.261 762 T C 1.810 176.564 174.700 0.091 0.000 1.141 762 T CA 1.841 64.000 62.100 0.099 0.000 1.176 762 T CB -0.627 68.342 68.868 0.169 0.000 0.863 762 T HN 0.294 nan 8.240 nan 0.000 0.424 763 L N 1.939 123.242 121.223 0.133 0.000 2.081 763 L HA -0.143 4.197 4.340 -0.000 0.000 0.212 763 L C 2.178 179.088 176.870 0.066 0.000 1.080 763 L CA 1.952 56.860 54.840 0.114 0.000 0.754 763 L CB -0.993 41.167 42.059 0.169 0.000 0.893 763 L HN 0.391 nan 8.230 nan 0.000 0.433 764 N N -1.232 117.501 118.700 0.056 0.000 2.061 764 N HA -0.274 4.466 4.740 -0.000 0.000 0.193 764 N C 1.888 177.413 175.510 0.025 0.000 1.030 764 N CA 1.905 54.977 53.050 0.038 0.000 0.856 764 N CB -0.106 38.399 38.487 0.031 0.000 1.023 764 N HN 0.403 nan 8.380 nan 0.000 0.424 765 M N 0.691 120.305 119.600 0.023 0.000 2.066 765 M HA -0.112 4.368 4.480 -0.000 0.000 0.259 765 M C 2.358 178.657 176.300 -0.001 0.000 1.074 765 M CA 1.800 57.105 55.300 0.009 0.000 1.114 765 M CB -0.342 32.264 32.600 0.010 0.000 1.306 765 M HN 0.231 nan 8.290 nan 0.000 0.411 766 A N -0.386 122.436 122.820 0.003 0.000 2.245 766 A HA -0.141 4.179 4.320 -0.000 0.000 0.217 766 A C 2.015 179.590 177.584 -0.016 0.000 1.171 766 A CA 1.286 53.316 52.037 -0.011 0.000 0.688 766 A CB -0.545 18.449 19.000 -0.010 0.000 0.781 766 A HN 0.467 nan 8.150 nan 0.000 0.479 767 M N -0.235 119.362 119.600 -0.005 0.000 2.534 767 M HA 0.054 4.534 4.480 -0.000 0.000 0.263 767 M C 1.247 177.522 176.300 -0.041 0.000 1.152 767 M CA 0.692 55.988 55.300 -0.008 0.000 1.145 767 M CB -0.873 31.741 32.600 0.024 0.000 1.333 767 M HN 0.523 nan 8.290 nan 0.000 0.477 768 S N 0.902 116.577 115.700 -0.043 0.000 2.626 768 S HA 0.254 4.723 4.470 -0.000 0.000 0.303 768 S C 1.271 175.763 174.600 -0.179 0.000 1.256 768 S CA 0.898 59.052 58.200 -0.077 0.000 1.069 768 S CB 0.159 63.330 63.200 -0.049 0.000 0.807 768 S HN 0.718 nan 8.310 nan 0.000 0.500 769 G N 3.350 111.933 108.800 -0.361 0.000 2.213 769 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.226 769 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.226 769 G C 0.480 174.909 174.900 -0.786 0.000 0.992 769 G CA 0.401 45.122 45.100 -0.631 0.000 0.632 769 G HN 0.674 nan 8.290 nan 0.000 0.511 770 M N -1.651 117.704 119.600 -0.408 0.000 2.312 770 M HA 0.382 4.861 4.480 -0.000 0.000 0.260 770 M C 0.785 177.177 176.300 0.154 0.000 1.253 770 M CA 0.276 55.506 55.300 -0.116 0.000 1.114 770 M CB 1.151 33.723 32.600 -0.046 0.000 1.660 770 M HN 0.089 nan 8.290 nan 0.000 0.581 771 R N 1.271 121.857 120.500 0.143 0.000 2.542 771 R HA 0.193 4.533 4.340 -0.000 0.000 0.284 771 R C -2.118 174.289 176.300 0.179 0.000 1.167 771 R CA -0.216 56.002 56.100 0.196 0.000 1.000 771 R CB 0.930 31.294 30.300 0.108 0.000 1.229 771 R HN -0.096 nan 8.270 nan 0.000 0.416 772 D N 5.414 125.939 120.400 0.208 0.000 2.344 772 D HA 0.218 4.858 4.640 -0.000 0.000 0.253 772 D C -0.204 176.143 176.300 0.079 0.000 1.255 772 D CA 0.435 54.521 54.000 0.143 0.000 0.894 772 D CB 0.630 41.498 40.800 0.113 0.000 1.067 772 D HN 0.349 nan 8.370 nan 0.000 0.492 773 L N 1.150 122.411 121.223 0.063 0.000 2.370 773 L HA 0.446 4.786 4.340 -0.000 0.000 0.266 773 L C 0.084 176.973 176.870 0.033 0.000 1.002 773 L CA -0.732 54.135 54.840 0.044 0.000 0.818 773 L CB 2.117 44.202 42.059 0.043 0.000 1.325 773 L HN 0.069 nan 8.230 nan 0.000 0.418 774 S N 2.617 118.332 115.700 0.024 0.000 2.707 774 S HA 0.648 5.118 4.470 -0.000 0.000 0.303 774 S C -0.563 174.046 174.600 0.015 0.000 1.132 774 S CA -0.426 57.784 58.200 0.017 0.000 1.046 774 S CB 1.126 64.332 63.200 0.011 0.000 1.004 774 S HN 0.328 nan 8.310 nan 0.000 0.483 775 I N 3.368 123.946 120.570 0.013 0.000 2.460 775 I HA 0.488 4.658 4.170 -0.000 0.000 0.298 775 I C -0.389 175.733 176.117 0.007 0.000 0.989 775 I CA -0.685 60.621 61.300 0.010 0.000 1.173 775 I CB 1.524 39.530 38.000 0.010 0.000 1.338 775 I HN 0.493 nan 8.210 nan 0.000 0.456 776 I N 5.490 126.063 120.570 0.004 0.000 2.620 776 I HA 0.288 4.458 4.170 -0.000 0.000 0.280 776 I C 0.566 176.684 176.117 0.003 0.000 1.143 776 I CA -0.491 60.811 61.300 0.004 0.000 1.163 776 I CB 0.821 38.821 38.000 0.000 0.000 1.461 776 I HN 0.647 nan 8.210 nan 0.000 0.530 777 A N 4.033 126.855 122.820 0.003 0.000 2.580 777 A HA 0.145 4.465 4.320 -0.000 0.000 0.244 777 A C 0.750 178.336 177.584 0.003 0.000 1.045 777 A CA 0.473 52.510 52.037 -0.000 0.000 0.761 777 A CB -0.280 18.721 19.000 0.002 0.000 0.962 777 A HN 0.608 nan 8.150 nan 0.000 0.512 778 T N 5.039 119.592 114.554 -0.003 0.000 2.926 778 T HA 0.331 4.681 4.350 -0.000 0.000 0.307 778 T C -2.159 172.550 174.700 0.015 0.000 1.059 778 T CA -0.285 61.820 62.100 0.007 0.000 1.122 778 T CB 0.064 68.932 68.868 0.001 0.000 0.972 778 T HN 0.537 nan 8.240 nan 0.000 0.545 779 P HA 0.096 nan 4.420 nan 0.000 0.260 779 P C -2.142 175.184 177.300 0.044 0.000 1.172 779 P CA -0.730 62.393 63.100 0.039 0.000 0.760 779 P CB -0.484 31.247 31.700 0.051 0.000 0.773 780 P HA -0.018 nan 4.420 nan 0.000 0.269 780 P C -0.429 176.907 177.300 0.059 0.000 1.200 780 P CA 0.290 63.404 63.100 0.023 0.000 0.779 780 P CB 0.366 32.075 31.700 0.015 0.000 0.841 781 A N 3.012 125.861 122.820 0.049 0.000 2.401 781 A HA 0.380 4.700 4.320 -0.000 0.000 0.259 781 A C 0.313 177.964 177.584 0.111 0.000 1.103 781 A CA -0.008 52.114 52.037 0.140 0.000 0.789 781 A CB 0.069 19.105 19.000 0.060 0.000 1.035 781 A HN 0.480 nan 8.150 nan 0.000 0.491 782 R N 0.453 121.032 120.500 0.132 0.000 2.892 782 R HA 0.509 4.849 4.340 -0.000 0.000 0.265 782 R C -0.457 175.868 176.300 0.042 0.000 1.025 782 R CA -0.918 55.216 56.100 0.056 0.000 0.982 782 R CB 2.023 32.338 30.300 0.026 0.000 1.185 782 R HN 0.793 nan 8.270 nan 0.000 0.484 783 R N 2.164 122.669 120.500 0.009 0.000 2.207 783 R HA 0.414 4.753 4.340 -0.000 0.000 0.334 783 R C -1.025 175.254 176.300 -0.036 0.000 1.013 783 R CA -0.126 55.971 56.100 -0.005 0.000 0.858 783 R CB 0.342 30.640 30.300 -0.003 0.000 1.094 783 R HN 0.422 nan 8.270 nan 0.000 0.457 784 L N 2.397 123.586 121.223 -0.057 0.000 2.371 784 L HA 0.583 4.922 4.340 -0.000 0.000 0.262 784 L C -0.346 176.463 176.870 -0.101 0.000 1.006 784 L CA -1.359 53.429 54.840 -0.087 0.000 0.818 784 L CB 2.059 44.058 42.059 -0.099 0.000 1.354 784 L HN 0.610 nan 8.230 nan 0.000 0.415 785 A N 1.942 124.683 122.820 -0.131 0.000 2.410 785 A HA 0.556 4.876 4.320 -0.000 0.000 0.292 785 A C -0.477 176.984 177.584 -0.204 0.000 1.232 785 A CA -0.081 51.867 52.037 -0.150 0.000 0.893 785 A CB -0.228 18.629 19.000 -0.237 0.000 1.131 785 A HN 0.375 nan 8.150 nan 0.000 0.530 786 V N 5.309 125.110 119.914 -0.189 0.000 2.509 786 V HA 0.191 4.311 4.120 -0.000 0.000 0.289 786 V C -0.169 175.778 176.094 -0.245 0.000 1.026 786 V CA -0.760 61.404 62.300 -0.225 0.000 0.872 786 V CB 1.544 33.249 31.823 -0.196 0.000 1.017 786 V HN 0.910 nan 8.190 nan 0.000 0.436 787 K N 2.377 122.602 120.400 -0.293 0.000 2.218 787 K HA 0.650 4.970 4.320 -0.000 0.000 0.276 787 K C -0.256 176.027 176.600 -0.530 0.000 1.022 787 K CA -0.325 55.746 56.287 -0.360 0.000 0.946 787 K CB 1.576 34.002 32.500 -0.125 0.000 1.000 787 K HN 0.583 nan 8.250 nan 0.000 0.468 788 T N 2.935 117.001 114.554 -0.813 0.000 2.824 788 T HA 0.529 4.879 4.350 -0.000 0.000 0.282 788 T C -0.901 173.159 174.700 -1.066 0.000 0.993 788 T CA -0.601 61.074 62.100 -0.708 0.000 0.967 788 T CB 0.353 68.981 68.868 -0.401 0.000 0.960 788 T HN 0.258 nan 8.240 nan 0.000 0.441 789 F N 1.050 120.795 119.950 -0.341 0.000 2.551 789 F HA 0.624 5.151 4.527 -0.000 0.000 0.316 789 F C -0.237 175.514 175.800 -0.083 0.000 1.089 789 F CA -1.188 56.656 58.000 -0.261 0.000 0.915 789 F CB 1.839 40.527 39.000 -0.519 0.000 1.186 789 F HN 0.167 nan 8.300 nan 0.000 0.456 790 V N 3.838 123.851 119.914 0.164 0.000 2.284 790 V HA 0.518 4.638 4.120 -0.000 0.000 0.274 790 V C -0.232 175.976 176.094 0.190 0.000 1.023 790 V CA -0.609 61.778 62.300 0.145 0.000 0.808 790 V CB 0.681 32.546 31.823 0.069 0.000 1.035 790 V HN 0.726 nan 8.190 nan 0.000 0.445 791 R N 2.137 122.786 120.500 0.247 0.000 2.854 791 R HA 0.583 4.923 4.340 -0.000 0.000 0.271 791 R C -0.559 175.845 176.300 0.174 0.000 0.994 791 R CA -0.918 55.313 56.100 0.220 0.000 0.945 791 R CB 2.470 32.945 30.300 0.292 0.000 1.194 791 R HN 0.621 nan 8.270 nan 0.000 0.476 792 E N 1.383 121.652 120.200 0.116 0.000 2.354 792 E HA -0.017 4.333 4.350 -0.000 0.000 0.269 792 E C -0.729 175.938 176.600 0.112 0.000 1.036 792 E CA -0.278 56.171 56.400 0.082 0.000 0.876 792 E CB 0.573 30.277 29.700 0.007 0.000 1.009 792 E HN 0.376 nan 8.360 nan 0.000 0.416 793 Y N 2.040 122.344 120.300 0.007 0.000 2.987 793 Y HA -0.197 4.353 4.550 -0.000 0.000 0.339 793 Y C 0.661 176.563 175.900 0.004 0.000 1.272 793 Y CA 1.277 59.390 58.100 0.021 0.000 1.562 793 Y CB 0.369 38.839 38.460 0.017 0.000 1.253 793 Y HN 0.597 nan 8.280 nan 0.000 0.604 794 D N 1.237 121.257 120.400 -0.634 0.000 2.486 794 D HA 0.010 4.650 4.640 -0.000 0.000 0.243 794 D C 1.225 177.177 176.300 -0.579 0.000 1.146 794 D CA 1.107 54.838 54.000 -0.449 0.000 0.821 794 D CB 0.278 40.936 40.800 -0.237 0.000 1.201 794 D HN 0.613 nan 8.370 nan 0.000 0.525 795 S N -1.172 113.924 115.700 -1.007 0.000 2.580 795 S HA -0.417 4.052 4.470 -0.000 0.000 0.251 795 S C 1.192 175.609 174.600 -0.306 0.000 1.281 795 S CA 1.763 59.618 58.200 -0.574 0.000 1.558 795 S CB -1.562 61.467 63.200 -0.284 0.000 1.996 795 S HN 0.327 nan 8.310 nan 0.000 0.656 796 M N 1.458 120.883 119.600 -0.293 0.000 2.557 796 M HA 0.437 4.917 4.480 -0.000 0.000 0.262 796 M C 1.983 178.133 176.300 -0.249 0.000 1.168 796 M CA 1.602 56.775 55.300 -0.211 0.000 1.194 796 M CB -0.392 32.113 32.600 -0.158 0.000 1.311 796 M HN 0.268 nan 8.290 nan 0.000 0.489 797 V N -0.355 119.382 119.914 -0.295 0.000 2.287 797 V HA -0.257 3.863 4.120 -0.000 0.000 0.248 797 V C 2.345 178.142 176.094 -0.495 0.000 1.053 797 V CA 1.917 63.974 62.300 -0.404 0.000 1.027 797 V CB -1.192 30.401 31.823 -0.383 0.000 0.646 797 V HN 0.361 nan 8.190 nan 0.000 0.447 798 V N 0.093 119.785 119.914 -0.369 0.000 2.282 798 V HA -0.348 3.772 4.120 -0.000 0.000 0.249 798 V C 2.588 178.534 176.094 -0.247 0.000 1.057 798 V CA 2.675 64.825 62.300 -0.250 0.000 1.032 798 V CB -0.833 30.942 31.823 -0.080 0.000 0.645 798 V HN 0.531 nan 8.190 nan 0.000 0.447 799 R N -0.176 120.189 120.500 -0.226 0.000 2.073 799 R HA -0.190 4.150 4.340 -0.000 0.000 0.234 799 R C 2.351 178.526 176.300 -0.208 0.000 1.134 799 R CA 2.005 57.991 56.100 -0.189 0.000 0.952 799 R CB -0.252 29.954 30.300 -0.156 0.000 0.850 799 R HN 0.629 nan 8.270 nan 0.000 0.433 800 E N 0.044 120.100 120.200 -0.239 0.000 2.023 800 E HA -0.239 4.111 4.350 -0.000 0.000 0.196 800 E C 2.027 178.457 176.600 -0.283 0.000 1.003 800 E CA 1.305 57.567 56.400 -0.229 0.000 0.809 800 E CB -0.259 29.308 29.700 -0.222 0.000 0.755 800 E HN 0.482 nan 8.360 nan 0.000 0.449 801 A N 1.461 124.028 122.820 -0.422 0.000 1.894 801 A HA -0.276 4.044 4.320 -0.000 0.000 0.220 801 A C 2.206 179.639 177.584 -0.252 0.000 1.237 801 A CA 2.070 53.837 52.037 -0.451 0.000 0.660 801 A CB -1.033 17.544 19.000 -0.706 0.000 0.835 801 A HN 0.245 nan 8.150 nan 0.000 0.461 802 I N -1.348 119.101 120.570 -0.202 0.000 2.394 802 I HA -0.177 3.992 4.170 -0.000 0.000 0.251 802 I C 2.202 178.234 176.117 -0.141 0.000 1.136 802 I CA 0.624 61.842 61.300 -0.136 0.000 1.425 802 I CB -0.259 37.662 38.000 -0.130 0.000 1.079 802 I HN 0.235 nan 8.210 nan 0.000 0.425 803 L N 0.659 121.786 121.223 -0.160 0.000 2.179 803 L HA -0.060 4.280 4.340 -0.000 0.000 0.208 803 L C 2.492 179.272 176.870 -0.148 0.000 1.096 803 L CA 1.542 56.294 54.840 -0.147 0.000 0.779 803 L CB -0.914 41.060 42.059 -0.142 0.000 0.922 803 L HN 0.148 nan 8.230 nan 0.000 0.443 804 R N -1.058 119.337 120.500 -0.176 0.000 2.235 804 R HA -0.086 4.254 4.340 -0.000 0.000 0.213 804 R C 1.806 178.013 176.300 -0.155 0.000 1.059 804 R CA 0.752 56.739 56.100 -0.188 0.000 0.997 804 R CB 0.232 30.345 30.300 -0.313 0.000 0.884 804 R HN 0.257 nan 8.270 nan 0.000 0.462 805 E N 0.364 120.484 120.200 -0.134 0.000 2.127 805 E HA -0.010 4.340 4.350 -0.000 0.000 0.191 805 E C 1.935 178.479 176.600 -0.092 0.000 0.964 805 E CA 0.603 56.950 56.400 -0.088 0.000 0.832 805 E CB 0.110 29.773 29.700 -0.061 0.000 0.790 805 E HN 0.367 nan 8.360 nan 0.000 0.465 806 I N 1.744 122.248 120.570 -0.110 0.000 2.315 806 I HA -0.233 3.937 4.170 -0.000 0.000 0.248 806 I C 2.514 178.556 176.117 -0.125 0.000 1.117 806 I CA 0.473 61.701 61.300 -0.120 0.000 1.404 806 I CB -0.249 37.674 38.000 -0.128 0.000 1.071 806 I HN 0.144 nan 8.210 nan 0.000 0.419 807 L N 2.509 123.654 121.223 -0.129 0.000 2.021 807 L HA -0.219 4.120 4.340 -0.000 0.000 0.215 807 L C 2.425 179.224 176.870 -0.119 0.000 1.074 807 L CA 2.206 56.959 54.840 -0.146 0.000 0.760 807 L CB -0.754 41.221 42.059 -0.140 0.000 0.889 807 L HN 0.437 nan 8.230 nan 0.000 0.433 808 R N -0.631 119.817 120.500 -0.086 0.000 2.391 808 R HA 0.247 4.587 4.340 -0.000 0.000 0.249 808 R C 0.934 177.180 176.300 -0.090 0.000 0.957 808 R CA 0.575 56.632 56.100 -0.071 0.000 1.093 808 R CB -0.562 29.713 30.300 -0.041 0.000 1.156 808 R HN 0.367 nan 8.270 nan 0.000 0.526 809 G N 0.068 108.807 108.800 -0.102 0.000 2.272 809 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.280 809 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.280 809 G C 0.046 174.882 174.900 -0.106 0.000 1.067 809 G CA 0.016 45.050 45.100 -0.109 0.000 0.902 809 G HN 0.730 nan 8.290 nan 0.000 0.500 810 G N -1.453 107.288 108.800 -0.099 0.000 2.569 810 G HA2 0.751 4.711 3.960 -0.000 0.000 0.300 810 G HA3 0.751 4.711 3.960 -0.000 0.000 0.300 810 G C -0.317 174.531 174.900 -0.087 0.000 1.269 810 G CA -0.565 44.486 45.100 -0.083 0.000 0.959 810 G HN 0.400 nan 8.290 nan 0.000 0.478 811 Q N -1.531 118.230 119.800 -0.065 0.000 2.293 811 Q HA 0.750 5.090 4.340 -0.000 0.000 0.216 811 Q C -0.476 175.494 176.000 -0.051 0.000 1.003 811 Q CA -0.658 55.119 55.803 -0.043 0.000 0.995 811 Q CB 1.949 30.752 28.738 0.107 0.000 1.172 811 Q HN 0.359 nan 8.270 nan 0.000 0.518 812 V N 0.314 120.224 119.914 -0.007 0.000 2.733 812 V HA 0.356 4.476 4.120 -0.000 0.000 0.306 812 V C -1.462 174.648 176.094 0.028 0.000 1.084 812 V CA -0.950 61.343 62.300 -0.012 0.000 0.905 812 V CB 1.128 32.987 31.823 0.060 0.000 1.010 812 V HN 0.616 nan 8.190 nan 0.000 0.424 813 Y N 3.208 123.610 120.300 0.170 0.000 2.299 813 Y HA 0.545 5.095 4.550 -0.000 0.000 0.326 813 Y C -0.477 175.556 175.900 0.221 0.000 1.164 813 Y CA -0.209 57.974 58.100 0.139 0.000 1.234 813 Y CB 1.218 39.721 38.460 0.071 0.000 1.219 813 Y HN 0.676 nan 8.280 nan 0.000 0.497 814 Y N 3.853 124.287 120.300 0.224 0.000 2.344 814 Y HA 0.379 4.929 4.550 -0.000 0.000 0.328 814 Y C -1.461 174.534 175.900 0.158 0.000 1.067 814 Y CA -0.885 57.316 58.100 0.169 0.000 1.247 814 Y CB 0.524 39.061 38.460 0.127 0.000 1.113 814 Y HN 0.571 nan 8.280 nan 0.000 0.465 815 L N 7.307 128.460 121.223 -0.117 0.000 2.331 815 L HA 0.323 4.663 4.340 -0.000 0.000 0.278 815 L C -0.349 176.492 176.870 -0.049 0.000 1.106 815 L CA -0.568 54.268 54.840 -0.006 0.000 0.824 815 L CB 0.601 42.672 42.059 0.020 0.000 1.142 815 L HN 0.758 nan 8.230 nan 0.000 0.443 816 Y N 1.199 121.459 120.300 -0.065 0.000 2.596 816 Y HA 0.377 4.926 4.550 -0.000 0.000 0.326 816 Y C 1.012 176.924 175.900 0.021 0.000 1.167 816 Y CA -0.653 57.424 58.100 -0.038 0.000 1.246 816 Y CB 1.023 39.528 38.460 0.074 0.000 1.347 816 Y HN 0.568 nan 8.280 nan 0.000 0.515 817 N N 0.191 118.718 118.700 -0.289 0.000 2.512 817 N HA -0.105 4.635 4.740 -0.000 0.000 0.183 817 N C 0.585 175.750 175.510 -0.574 0.000 1.073 817 N CA 1.199 54.058 53.050 -0.318 0.000 0.911 817 N CB -0.608 37.786 38.487 -0.154 0.000 0.964 817 N HN 0.849 nan 8.380 nan 0.000 0.447 818 D N -3.473 116.125 120.400 -1.337 0.000 2.495 818 D HA -0.219 4.421 4.640 -0.000 0.000 0.175 818 D C 1.660 177.702 176.300 -0.430 0.000 1.040 818 D CA 1.258 54.691 54.000 -0.945 0.000 1.049 818 D CB -1.576 38.982 40.800 -0.402 0.000 1.105 818 D HN 0.668 nan 8.370 nan 0.000 0.457 819 V N 0.559 120.271 119.914 -0.336 0.000 2.254 819 V HA -0.111 4.009 4.120 -0.000 0.000 0.242 819 V C 1.604 177.668 176.094 -0.050 0.000 1.024 819 V CA 4.098 66.317 62.300 -0.137 0.000 1.009 819 V CB -1.279 30.488 31.823 -0.094 0.000 0.653 819 V HN 0.480 nan 8.190 nan 0.000 0.474 820 E N 1.289 121.494 120.200 0.009 0.000 2.816 820 E HA 0.366 4.715 4.350 -0.000 0.000 0.260 820 E C 0.268 176.973 176.600 0.175 0.000 1.414 820 E CA -0.148 56.303 56.400 0.085 0.000 1.074 820 E CB -0.362 29.396 29.700 0.098 0.000 1.123 820 E HN 0.811 nan 8.360 nan 0.000 0.664 821 N N 0.513 119.308 118.700 0.159 0.000 2.520 821 N HA 0.149 4.889 4.740 -0.000 0.000 0.273 821 N C 1.376 177.009 175.510 0.205 0.000 1.155 821 N CA 0.143 53.295 53.050 0.171 0.000 0.967 821 N CB 1.235 39.785 38.487 0.105 0.000 1.092 821 N HN 0.588 nan 8.380 nan 0.000 0.457 822 I N -0.117 120.558 120.570 0.175 0.000 2.335 822 I HA -0.277 3.893 4.170 -0.000 0.000 0.251 822 I C 1.824 177.928 176.117 -0.021 0.000 1.129 822 I CA 1.007 62.280 61.300 -0.044 0.000 1.402 822 I CB -0.338 37.539 38.000 -0.206 0.000 1.069 822 I HN 0.317 nan 8.210 nan 0.000 0.424 823 Q N 1.794 121.615 119.800 0.036 0.000 2.124 823 Q HA -0.142 4.197 4.340 -0.000 0.000 0.202 823 Q C 2.142 178.165 176.000 0.038 0.000 0.977 823 Q CA 1.501 57.325 55.803 0.035 0.000 0.850 823 Q CB -0.322 28.446 28.738 0.049 0.000 0.901 823 Q HN 0.622 nan 8.270 nan 0.000 0.429 824 K N 0.235 120.670 120.400 0.059 0.000 2.031 824 K HA 0.026 4.346 4.320 -0.000 0.000 0.205 824 K C 2.148 178.789 176.600 0.068 0.000 1.049 824 K CA 0.909 57.233 56.287 0.062 0.000 0.939 824 K CB -0.109 32.434 32.500 0.072 0.000 0.717 824 K HN 0.110 nan 8.250 nan 0.000 0.438 825 A N 1.899 124.779 122.820 0.099 0.000 1.865 825 A HA -0.168 4.152 4.320 -0.000 0.000 0.217 825 A C 2.437 180.055 177.584 0.058 0.000 1.191 825 A CA 2.056 54.167 52.037 0.124 0.000 0.623 825 A CB -0.880 18.261 19.000 0.234 0.000 0.826 825 A HN 0.333 nan 8.150 nan 0.000 0.444 826 A N -0.380 122.449 122.820 0.015 0.000 1.958 826 A HA -0.253 4.067 4.320 -0.000 0.000 0.221 826 A C 1.942 179.521 177.584 -0.007 0.000 1.178 826 A CA 1.974 54.002 52.037 -0.015 0.000 0.642 826 A CB -0.557 18.427 19.000 -0.026 0.000 0.816 826 A HN 0.701 nan 8.150 nan 0.000 0.453 827 E N -0.795 119.412 120.200 0.011 0.000 2.008 827 E HA -0.176 4.174 4.350 -0.000 0.000 0.191 827 E C 2.169 178.772 176.600 0.006 0.000 0.986 827 E CA 0.985 57.391 56.400 0.010 0.000 0.807 827 E CB -0.311 29.401 29.700 0.020 0.000 0.766 827 E HN 0.754 nan 8.360 nan 0.000 0.450 828 R N 1.242 121.755 120.500 0.021 0.000 2.417 828 R HA -0.139 4.201 4.340 -0.000 0.000 0.220 828 R C 1.681 177.988 176.300 0.011 0.000 1.128 828 R CA 0.842 56.957 56.100 0.026 0.000 1.048 828 R CB -0.113 30.217 30.300 0.050 0.000 0.835 828 R HN 0.161 nan 8.270 nan 0.000 0.483 829 L N -0.658 120.553 121.223 -0.021 0.000 2.575 829 L HA 0.366 4.706 4.340 -0.000 0.000 0.228 829 L C 2.062 178.882 176.870 -0.085 0.000 1.075 829 L CA 1.088 55.881 54.840 -0.079 0.000 0.867 829 L CB 0.409 42.363 42.059 -0.175 0.000 1.097 829 L HN 0.176 nan 8.230 nan 0.000 0.485 830 A N -0.094 122.693 122.820 -0.055 0.000 2.067 830 A HA -0.065 4.255 4.320 -0.000 0.000 0.217 830 A C 1.757 179.313 177.584 -0.046 0.000 1.156 830 A CA 1.043 53.050 52.037 -0.051 0.000 0.683 830 A CB -0.459 18.523 19.000 -0.029 0.000 0.808 830 A HN 0.645 nan 8.150 nan 0.000 0.455 831 E N -0.842 119.337 120.200 -0.035 0.000 2.444 831 E HA 0.203 4.553 4.350 -0.000 0.000 0.191 831 E C 1.095 177.674 176.600 -0.035 0.000 1.041 831 E CA -0.062 56.319 56.400 -0.031 0.000 0.883 831 E CB 0.045 29.734 29.700 -0.017 0.000 1.024 831 E HN 0.382 nan 8.360 nan 0.000 0.470 832 L N 0.176 121.371 121.223 -0.047 0.000 2.500 832 L HA 0.223 4.563 4.340 -0.000 0.000 0.219 832 L C 0.267 177.092 176.870 -0.076 0.000 1.057 832 L CA 0.643 55.451 54.840 -0.054 0.000 0.854 832 L CB 1.365 43.394 42.059 -0.051 0.000 1.078 832 L HN 0.005 nan 8.230 nan 0.000 0.480 833 V N 1.010 120.873 119.914 -0.084 0.000 2.462 833 V HA 0.309 4.429 4.120 -0.000 0.000 0.257 833 V C -1.853 174.189 176.094 -0.086 0.000 0.944 833 V CA -0.668 61.575 62.300 -0.094 0.000 0.903 833 V CB 0.698 32.452 31.823 -0.114 0.000 1.128 833 V HN 0.032 nan 8.190 nan 0.000 0.486 834 P HA -0.135 nan 4.420 nan 0.000 0.218 834 P C 1.125 178.377 177.300 -0.080 0.000 1.146 834 P CA 1.199 64.257 63.100 -0.069 0.000 0.813 834 P CB 0.353 32.016 31.700 -0.060 0.000 0.778 835 E N -0.953 119.194 120.200 -0.088 0.000 2.482 835 E HA 0.118 4.468 4.350 -0.000 0.000 0.196 835 E C 0.846 177.380 176.600 -0.110 0.000 1.047 835 E CA 0.125 56.466 56.400 -0.098 0.000 0.869 835 E CB -0.434 29.204 29.700 -0.102 0.000 0.836 835 E HN 0.188 nan 8.360 nan 0.000 0.520 836 A N 1.182 123.939 122.820 -0.105 0.000 2.293 836 A HA 0.557 4.877 4.320 -0.000 0.000 0.302 836 A C -0.211 177.311 177.584 -0.103 0.000 1.119 836 A CA -0.572 51.401 52.037 -0.107 0.000 0.823 836 A CB 0.660 19.600 19.000 -0.100 0.000 1.097 836 A HN 0.033 nan 8.150 nan 0.000 0.491 837 R N 2.097 122.530 120.500 -0.110 0.000 2.352 837 R HA 0.342 4.682 4.340 -0.000 0.000 0.304 837 R C -0.958 175.373 176.300 0.051 0.000 1.104 837 R CA -0.221 55.812 56.100 -0.111 0.000 0.991 837 R CB 0.841 30.978 30.300 -0.272 0.000 1.140 837 R HN 0.697 nan 8.270 nan 0.000 0.540 838 I N 1.877 122.508 120.570 0.102 0.000 2.696 838 I HA 0.239 4.409 4.170 -0.000 0.000 0.284 838 I C 0.527 176.865 176.117 0.370 0.000 1.129 838 I CA 0.153 61.560 61.300 0.179 0.000 1.410 838 I CB 1.013 39.051 38.000 0.064 0.000 1.399 838 I HN 0.540 nan 8.210 nan 0.000 0.579 839 A N 6.821 129.771 122.820 0.217 0.000 2.549 839 A HA 0.788 5.108 4.320 -0.000 0.000 0.297 839 A C -0.891 176.645 177.584 -0.079 0.000 1.061 839 A CA -0.551 51.460 52.037 -0.043 0.000 0.690 839 A CB 1.271 20.086 19.000 -0.308 0.000 1.287 839 A HN 0.585 nan 8.150 nan 0.000 0.402 840 I N 1.000 121.456 120.570 -0.189 0.000 2.525 840 I HA 0.604 4.774 4.170 -0.000 0.000 0.301 840 I C 0.734 176.621 176.117 -0.383 0.000 0.992 840 I CA -0.671 60.462 61.300 -0.278 0.000 1.162 840 I CB 2.258 40.051 38.000 -0.345 0.000 1.332 840 I HN 0.735 nan 8.210 nan 0.000 0.458 841 G N 3.977 112.552 108.800 -0.374 0.000 2.605 841 G HA2 0.444 4.404 3.960 -0.000 0.000 0.304 841 G HA3 0.444 4.404 3.960 -0.000 0.000 0.304 841 G C -0.512 174.202 174.900 -0.310 0.000 1.333 841 G CA -0.376 44.541 45.100 -0.305 0.000 0.973 841 G HN 0.546 nan 8.290 nan 0.000 0.507 842 H N 1.104 120.144 119.070 -0.050 0.000 2.490 842 H HA 0.506 5.061 4.556 -0.000 0.000 0.354 842 H C 1.002 176.327 175.328 -0.005 0.000 1.365 842 H CA 0.185 56.220 56.048 -0.022 0.000 1.413 842 H CB 1.254 31.008 29.762 -0.013 0.000 1.631 842 H HN 0.583 nan 8.280 nan 0.000 0.607 843 G N -0.868 108.037 108.800 0.176 0.000 2.476 843 G HA2 0.217 4.177 3.960 -0.000 0.000 0.286 843 G HA3 0.217 4.177 3.960 -0.000 0.000 0.286 843 G C -0.586 174.362 174.900 0.080 0.000 1.177 843 G CA -0.516 44.645 45.100 0.101 0.000 0.870 843 G HN 0.602 nan 8.290 nan 0.000 0.528 844 Q N -0.917 118.912 119.800 0.048 0.000 2.453 844 Q HA -0.171 4.169 4.340 -0.000 0.000 0.294 844 Q C 0.567 176.583 176.000 0.027 0.000 1.295 844 Q CA 0.624 56.444 55.803 0.029 0.000 0.853 844 Q CB -1.614 27.148 28.738 0.040 0.000 1.193 844 Q HN 0.588 nan 8.270 nan 0.000 0.461 845 M N 0.823 120.441 119.600 0.029 0.000 2.338 845 M HA -0.014 4.466 4.480 -0.000 0.000 0.360 845 M C 0.620 176.927 176.300 0.011 0.000 1.547 845 M CA 0.645 55.963 55.300 0.030 0.000 1.001 845 M CB 0.158 32.767 32.600 0.015 0.000 2.008 845 M HN 0.110 nan 8.290 nan 0.000 0.464 846 R N 2.123 122.634 120.500 0.017 0.000 2.694 846 R HA 0.014 4.354 4.340 -0.000 0.000 0.268 846 R C 1.074 177.392 176.300 0.030 0.000 1.061 846 R CA -0.051 56.054 56.100 0.009 0.000 1.133 846 R CB 0.236 30.546 30.300 0.016 0.000 1.020 846 R HN 0.513 nan 8.270 nan 0.000 0.475 847 E N 2.340 122.555 120.200 0.025 0.000 2.048 847 E HA -0.276 4.074 4.350 -0.000 0.000 0.202 847 E C 1.666 178.374 176.600 0.180 0.000 1.021 847 E CA 2.192 58.652 56.400 0.101 0.000 0.825 847 E CB -0.052 29.653 29.700 0.008 0.000 0.756 847 E HN 0.560 nan 8.360 nan 0.000 0.454 848 R N 0.650 121.216 120.500 0.110 0.000 2.170 848 R HA -0.204 4.136 4.340 -0.000 0.000 0.242 848 R C 1.767 178.085 176.300 0.029 0.000 1.145 848 R CA 1.863 58.013 56.100 0.082 0.000 0.984 848 R CB -0.519 29.818 30.300 0.061 0.000 0.869 848 R HN 0.283 nan 8.270 nan 0.000 0.455 849 E N 0.749 120.965 120.200 0.026 0.000 2.072 849 E HA -0.105 4.245 4.350 -0.000 0.000 0.190 849 E C 2.072 178.641 176.600 -0.052 0.000 0.982 849 E CA 0.954 57.350 56.400 -0.006 0.000 0.803 849 E CB -0.069 29.640 29.700 0.016 0.000 0.755 849 E HN 0.175 nan 8.360 nan 0.000 0.453 850 L N 1.493 122.697 121.223 -0.031 0.000 1.989 850 L HA -0.248 4.092 4.340 -0.000 0.000 0.211 850 L C 2.474 179.172 176.870 -0.286 0.000 1.071 850 L CA 1.854 56.630 54.840 -0.106 0.000 0.749 850 L CB -0.559 41.523 42.059 0.039 0.000 0.890 850 L HN 0.161 nan 8.230 nan 0.000 0.431 851 E N -0.234 119.735 120.200 -0.385 0.000 2.068 851 E HA -0.357 3.993 4.350 -0.000 0.000 0.207 851 E C 2.406 178.830 176.600 -0.293 0.000 1.032 851 E CA 1.992 58.061 56.400 -0.552 0.000 0.839 851 E CB -0.166 29.326 29.700 -0.348 0.000 0.758 851 E HN 0.323 nan 8.360 nan 0.000 0.457 852 R N -0.010 120.396 120.500 -0.157 0.000 2.103 852 R HA -0.189 4.151 4.340 -0.000 0.000 0.234 852 R C 2.470 178.708 176.300 -0.102 0.000 1.132 852 R CA 2.152 58.194 56.100 -0.096 0.000 0.925 852 R CB -0.680 29.587 30.300 -0.055 0.000 0.842 852 R HN 0.182 nan 8.270 nan 0.000 0.430 853 V N 1.217 121.054 119.914 -0.129 0.000 2.233 853 V HA -0.396 3.724 4.120 -0.000 0.000 0.252 853 V C 2.502 178.544 176.094 -0.087 0.000 1.063 853 V CA 2.533 64.751 62.300 -0.138 0.000 1.032 853 V CB -0.429 31.255 31.823 -0.232 0.000 0.645 853 V HN 0.487 nan 8.190 nan 0.000 0.446 854 M N -0.700 118.793 119.600 -0.178 0.000 2.202 854 M HA -0.228 4.252 4.480 -0.000 0.000 0.262 854 M C 1.918 178.170 176.300 -0.080 0.000 1.063 854 M CA 2.109 57.317 55.300 -0.153 0.000 1.097 854 M CB -0.561 31.862 32.600 -0.294 0.000 1.382 854 M HN 0.502 nan 8.290 nan 0.000 0.413 855 N N -0.116 118.504 118.700 -0.134 0.000 2.081 855 N HA -0.159 4.581 4.740 -0.000 0.000 0.191 855 N C 1.181 176.654 175.510 -0.061 0.000 1.053 855 N CA 1.275 54.219 53.050 -0.176 0.000 0.846 855 N CB -0.095 38.267 38.487 -0.208 0.000 1.032 855 N HN 0.196 nan 8.380 nan 0.000 0.431 856 D N 0.504 120.939 120.400 0.058 0.000 2.191 856 D HA -0.193 4.446 4.640 -0.000 0.000 0.195 856 D C 1.538 177.989 176.300 0.253 0.000 1.003 856 D CA 1.190 55.322 54.000 0.221 0.000 0.867 856 D CB -0.349 40.651 40.800 0.333 0.000 0.926 856 D HN 0.230 nan 8.370 nan 0.000 0.450 857 F N -0.332 119.650 119.950 0.054 0.000 2.325 857 F HA -0.054 4.472 4.527 -0.000 0.000 0.299 857 F C 2.343 178.191 175.800 0.080 0.000 1.090 857 F CA 0.707 58.744 58.000 0.062 0.000 1.392 857 F CB -0.351 38.655 39.000 0.010 0.000 1.053 857 F HN 0.061 nan 8.300 nan 0.000 0.521 858 H N -1.421 117.702 119.070 0.089 0.000 2.428 858 H HA -0.003 4.553 4.556 -0.000 0.000 0.296 858 H C 1.329 176.737 175.328 0.134 0.000 1.062 858 H CA 1.689 57.768 56.048 0.052 0.000 1.350 858 H CB -0.327 29.419 29.762 -0.028 0.000 1.403 858 H HN 0.314 nan 8.280 nan 0.000 0.533 859 H N 0.798 119.872 119.070 0.006 0.000 2.592 859 H HA 0.054 4.610 4.556 -0.000 0.000 0.291 859 H C 0.205 175.467 175.328 -0.110 0.000 1.052 859 H CA -0.016 55.986 56.048 -0.077 0.000 1.175 859 H CB 0.287 30.036 29.762 -0.021 0.000 1.378 859 H HN 0.357 nan 8.280 nan 0.000 0.576 860 Q N -0.161 119.617 119.800 -0.037 0.000 2.405 860 Q HA -0.288 4.051 4.340 -0.000 0.000 0.265 860 Q C 1.038 176.938 176.000 -0.167 0.000 1.096 860 Q CA 0.613 56.328 55.803 -0.145 0.000 0.982 860 Q CB -0.985 27.664 28.738 -0.147 0.000 1.426 860 Q HN 0.675 nan 8.270 nan 0.000 0.527 861 R N -0.799 119.642 120.500 -0.099 0.000 2.115 861 R HA 0.062 4.402 4.340 -0.000 0.000 0.226 861 R C 0.382 176.368 176.300 -0.523 0.000 1.100 861 R CA 1.046 57.022 56.100 -0.207 0.000 0.980 861 R CB 0.230 30.526 30.300 -0.007 0.000 0.875 861 R HN 0.066 nan 8.270 nan 0.000 0.445 862 F N 0.026 119.780 119.950 -0.327 0.000 2.588 862 F HA 0.229 4.756 4.527 -0.000 0.000 0.314 862 F C 0.153 175.395 175.800 -0.930 0.000 1.069 862 F CA -1.347 56.376 58.000 -0.461 0.000 0.931 862 F CB 1.515 40.337 39.000 -0.297 0.000 1.260 862 F HN -0.061 nan 8.300 nan 0.000 0.465 863 N N -0.581 117.819 118.700 -0.501 0.000 2.307 863 N HA 0.340 5.080 4.740 -0.000 0.000 0.248 863 N C -1.679 173.732 175.510 -0.164 0.000 1.322 863 N CA -0.045 52.685 53.050 -0.533 0.000 0.861 863 N CB 0.824 39.130 38.487 -0.301 0.000 1.303 863 N HN 0.201 nan 8.380 nan 0.000 0.498 864 V N 1.111 121.069 119.914 0.074 0.000 2.624 864 V HA 0.332 4.452 4.120 -0.000 0.000 0.294 864 V C -1.422 174.923 176.094 0.418 0.000 1.077 864 V CA -0.781 61.664 62.300 0.243 0.000 0.905 864 V CB 2.009 33.877 31.823 0.074 0.000 1.025 864 V HN 0.230 nan 8.190 nan 0.000 0.440 865 L N 6.453 127.903 121.223 0.378 0.000 2.265 865 L HA 0.649 4.989 4.340 -0.000 0.000 0.289 865 L C -0.261 176.693 176.870 0.140 0.000 1.033 865 L CA 0.083 55.019 54.840 0.160 0.000 0.814 865 L CB 1.614 43.587 42.059 -0.143 0.000 1.203 865 L HN 0.452 nan 8.230 nan 0.000 0.423 866 V N 5.637 125.591 119.914 0.066 0.000 2.372 866 V HA 0.190 4.310 4.120 -0.000 0.000 0.261 866 V C 0.111 176.180 176.094 -0.041 0.000 1.055 866 V CA -0.385 61.961 62.300 0.078 0.000 0.930 866 V CB 0.218 32.042 31.823 0.001 0.000 1.031 866 V HN 0.883 nan 8.190 nan 0.000 0.479 867 C N 3.910 123.232 119.300 0.035 0.000 2.398 867 C HA 0.391 4.851 4.460 -0.000 0.000 0.364 867 C C 1.937 176.960 174.990 0.054 0.000 1.219 867 C CA -0.381 58.638 59.018 0.002 0.000 2.312 867 C CB 1.010 28.768 27.740 0.031 0.000 2.428 867 C HN 0.920 nan 8.230 nan 0.000 0.564 868 T N 0.307 114.907 114.554 0.076 0.000 3.010 868 T HA 0.069 4.419 4.350 -0.000 0.000 0.252 868 T C 0.669 175.519 174.700 0.250 0.000 1.047 868 T CA 0.955 63.221 62.100 0.276 0.000 1.140 868 T CB 0.072 69.059 68.868 0.198 0.000 0.885 868 T HN 0.778 nan 8.240 nan 0.000 0.464 869 T N 0.516 115.156 114.554 0.143 0.000 2.887 869 T HA 0.496 4.846 4.350 -0.000 0.000 0.292 869 T C 0.915 175.672 174.700 0.095 0.000 1.087 869 T CA -0.760 61.413 62.100 0.123 0.000 1.009 869 T CB 2.135 71.053 68.868 0.083 0.000 1.203 869 T HN 0.064 nan 8.240 nan 0.000 0.518 870 I N 0.977 121.620 120.570 0.122 0.000 2.756 870 I HA -0.080 4.090 4.170 -0.000 0.000 0.262 870 I C 1.138 177.257 176.117 0.003 0.000 1.225 870 I CA 1.053 62.392 61.300 0.064 0.000 1.472 870 I CB -0.002 38.079 38.000 0.135 0.000 1.094 870 I HN 0.491 nan 8.210 nan 0.000 0.454 871 I N 1.033 121.614 120.570 0.017 0.000 2.500 871 I HA -0.127 4.043 4.170 -0.000 0.000 0.252 871 I C 2.217 178.312 176.117 -0.036 0.000 1.142 871 I CA 0.873 62.170 61.300 -0.006 0.000 1.451 871 I CB -1.254 36.753 38.000 0.011 0.000 1.093 871 I HN 0.269 nan 8.210 nan 0.000 0.430 872 E N 0.535 120.716 120.200 -0.032 0.000 2.268 872 E HA -0.102 4.248 4.350 -0.000 0.000 0.195 872 E C 1.847 178.370 176.600 -0.129 0.000 0.995 872 E CA 0.866 57.232 56.400 -0.057 0.000 0.836 872 E CB -0.709 28.971 29.700 -0.034 0.000 0.763 872 E HN 0.387 nan 8.360 nan 0.000 0.491 873 T N -0.039 114.407 114.554 -0.181 0.000 3.148 873 T HA 0.076 4.426 4.350 -0.000 0.000 0.253 873 T C 1.633 176.101 174.700 -0.387 0.000 1.134 873 T CA 0.755 62.612 62.100 -0.405 0.000 1.051 873 T CB 0.048 68.688 68.868 -0.380 0.000 0.959 873 T HN 0.335 nan 8.240 nan 0.000 0.525 874 G N 1.343 110.027 108.800 -0.192 0.000 2.623 874 G HA2 0.107 4.067 3.960 -0.000 0.000 0.214 874 G HA3 0.107 4.067 3.960 -0.000 0.000 0.214 874 G C 0.660 175.505 174.900 -0.091 0.000 1.138 874 G CA -0.340 44.688 45.100 -0.119 0.000 0.794 874 G HN 0.516 nan 8.290 nan 0.000 0.535 875 I N 2.519 123.028 120.570 -0.101 0.000 2.933 875 I HA -0.056 4.114 4.170 -0.000 0.000 0.301 875 I C 0.156 176.274 176.117 0.001 0.000 1.163 875 I CA -0.265 61.005 61.300 -0.051 0.000 1.629 875 I CB -0.333 37.624 38.000 -0.073 0.000 1.530 875 I HN 0.062 nan 8.210 nan 0.000 0.755 876 D N 7.656 128.067 120.400 0.019 0.000 2.520 876 D HA 0.120 4.760 4.640 -0.000 0.000 0.243 876 D C -0.398 175.947 176.300 0.074 0.000 1.160 876 D CA 0.543 54.582 54.000 0.065 0.000 0.877 876 D CB 0.446 41.272 40.800 0.044 0.000 1.150 876 D HN 0.336 nan 8.370 nan 0.000 0.494 877 I N 5.378 126.034 120.570 0.144 0.000 2.497 877 I HA 0.173 4.343 4.170 -0.000 0.000 0.284 877 I C -1.715 174.464 176.117 0.103 0.000 1.060 877 I CA -2.008 59.353 61.300 0.102 0.000 1.071 877 I CB 2.189 40.238 38.000 0.082 0.000 1.216 877 I HN 0.334 nan 8.210 nan 0.000 0.442 878 P HA -0.144 nan 4.420 nan 0.000 0.218 878 P C 1.327 178.658 177.300 0.053 0.000 1.148 878 P CA 1.397 64.538 63.100 0.070 0.000 0.822 878 P CB 0.131 31.871 31.700 0.067 0.000 0.784 879 T N -3.917 110.670 114.554 0.055 0.000 3.100 879 T HA 0.271 4.621 4.350 -0.000 0.000 0.253 879 T C 1.041 175.728 174.700 -0.021 0.000 1.118 879 T CA 0.030 62.138 62.100 0.013 0.000 1.058 879 T CB -0.428 68.450 68.868 0.016 0.000 0.953 879 T HN 0.013 nan 8.240 nan 0.000 0.515 880 A N 2.506 125.293 122.820 -0.055 0.000 2.539 880 A HA 0.431 4.751 4.320 -0.000 0.000 0.306 880 A C 0.492 178.020 177.584 -0.094 0.000 1.392 880 A CA -0.695 51.214 52.037 -0.213 0.000 1.060 880 A CB -0.314 18.258 19.000 -0.713 0.000 1.134 880 A HN 0.341 nan 8.150 nan 0.000 0.542 881 N N 1.564 120.256 118.700 -0.013 0.000 2.401 881 N HA 0.135 4.875 4.740 -0.000 0.000 0.264 881 N C -0.923 174.677 175.510 0.150 0.000 1.238 881 N CA 0.183 53.275 53.050 0.069 0.000 0.889 881 N CB 1.221 39.741 38.487 0.055 0.000 1.196 881 N HN 0.472 nan 8.380 nan 0.000 0.511 882 T N 0.867 115.513 114.554 0.154 0.000 3.032 882 T HA 0.470 4.820 4.350 -0.000 0.000 0.312 882 T C -0.863 174.003 174.700 0.277 0.000 1.078 882 T CA -0.392 61.864 62.100 0.260 0.000 1.028 882 T CB 2.133 71.140 68.868 0.232 0.000 1.091 882 T HN 0.050 nan 8.240 nan 0.000 0.457 883 I N 3.718 124.491 120.570 0.339 0.000 2.533 883 I HA 0.646 4.816 4.170 -0.000 0.000 0.290 883 I C -1.656 174.666 176.117 0.342 0.000 1.056 883 I CA -1.286 60.212 61.300 0.329 0.000 1.057 883 I CB 1.136 39.294 38.000 0.264 0.000 1.240 883 I HN 0.619 nan 8.210 nan 0.000 0.423 884 I N 7.928 128.680 120.570 0.303 0.000 2.406 884 I HA 0.395 4.565 4.170 -0.000 0.000 0.290 884 I C -0.918 175.216 176.117 0.030 0.000 0.999 884 I CA -0.490 60.974 61.300 0.273 0.000 1.124 884 I CB 1.915 40.139 38.000 0.375 0.000 1.289 884 I HN 0.375 nan 8.210 nan 0.000 0.441 885 I N 5.315 125.903 120.570 0.030 0.000 2.362 885 I HA 0.187 4.357 4.170 -0.000 0.000 0.289 885 I C 1.242 177.341 176.117 -0.030 0.000 0.994 885 I CA 0.095 61.360 61.300 -0.057 0.000 1.158 885 I CB 1.519 39.474 38.000 -0.074 0.000 1.315 885 I HN 0.615 nan 8.210 nan 0.000 0.451 886 E N 4.406 124.530 120.200 -0.128 0.000 2.265 886 E HA -0.045 4.305 4.350 -0.000 0.000 0.196 886 E C 0.585 177.192 176.600 0.012 0.000 0.996 886 E CA 0.874 57.223 56.400 -0.085 0.000 0.832 886 E CB 0.327 29.939 29.700 -0.147 0.000 0.756 886 E HN 0.335 nan 8.360 nan 0.000 0.491 887 R N -1.391 119.173 120.500 0.107 0.000 2.924 887 R HA 0.213 4.553 4.340 -0.000 0.000 0.233 887 R C 0.048 176.512 176.300 0.272 0.000 1.685 887 R CA 0.086 56.251 56.100 0.108 0.000 1.462 887 R CB 0.466 30.784 30.300 0.030 0.000 1.542 887 R HN 0.033 nan 8.270 nan 0.000 0.667 888 A N 0.782 123.747 122.820 0.242 0.000 2.076 888 A HA -0.211 4.109 4.320 -0.000 0.000 0.220 888 A C 1.753 179.524 177.584 0.313 0.000 1.160 888 A CA 1.644 53.886 52.037 0.341 0.000 0.653 888 A CB -0.267 18.801 19.000 0.113 0.000 0.801 888 A HN 0.740 nan 8.150 nan 0.000 0.455 889 D N 0.958 121.409 120.400 0.084 0.000 2.248 889 D HA -0.225 4.415 4.640 -0.000 0.000 0.189 889 D C 0.750 177.049 176.300 -0.001 0.000 1.011 889 D CA 1.742 55.707 54.000 -0.058 0.000 0.868 889 D CB -0.409 40.221 40.800 -0.283 0.000 0.931 889 D HN 0.813 nan 8.370 nan 0.000 0.449 890 H N -2.273 116.809 119.070 0.020 0.000 2.643 890 H HA 0.531 5.086 4.556 -0.000 0.000 0.259 890 H C -0.820 174.325 175.328 -0.306 0.000 1.298 890 H CA -0.777 55.203 56.048 -0.112 0.000 1.301 890 H CB -0.601 29.049 29.762 -0.187 0.000 1.422 890 H HN -0.054 nan 8.280 nan 0.000 0.521 891 F N 0.703 120.724 119.950 0.118 0.000 2.672 891 F HA 0.357 4.884 4.527 -0.000 0.000 0.311 891 F C 0.476 176.299 175.800 0.038 0.000 1.113 891 F CA -0.870 57.167 58.000 0.061 0.000 0.996 891 F CB 2.136 41.165 39.000 0.049 0.000 1.286 891 F HN 0.625 nan 8.300 nan 0.000 0.441 892 G N 1.997 110.936 108.800 0.232 0.000 2.599 892 G HA2 0.350 4.310 3.960 -0.000 0.000 0.264 892 G HA3 0.350 4.310 3.960 -0.000 0.000 0.264 892 G C 0.892 175.869 174.900 0.128 0.000 1.200 892 G CA -0.543 44.642 45.100 0.140 0.000 0.896 892 G HN 0.823 nan 8.290 nan 0.000 0.536 893 L N 0.593 121.873 121.223 0.096 0.000 2.043 893 L HA -0.224 4.116 4.340 -0.000 0.000 0.212 893 L C 3.271 180.234 176.870 0.155 0.000 1.075 893 L CA 1.878 56.774 54.840 0.093 0.000 0.752 893 L CB -0.287 41.842 42.059 0.116 0.000 0.891 893 L HN 0.666 nan 8.230 nan 0.000 0.432 894 A N -0.754 122.154 122.820 0.147 0.000 1.865 894 A HA -0.295 4.025 4.320 -0.000 0.000 0.217 894 A C 2.108 179.777 177.584 0.142 0.000 1.191 894 A CA 1.922 54.044 52.037 0.141 0.000 0.623 894 A CB -0.586 18.459 19.000 0.075 0.000 0.826 894 A HN 0.535 nan 8.150 nan 0.000 0.444 895 Q N -0.372 119.506 119.800 0.129 0.000 2.002 895 Q HA -0.142 4.198 4.340 -0.000 0.000 0.204 895 Q C 2.173 178.188 176.000 0.024 0.000 0.988 895 Q CA 1.586 57.459 55.803 0.118 0.000 0.843 895 Q CB -0.453 28.444 28.738 0.265 0.000 0.908 895 Q HN 0.659 nan 8.270 nan 0.000 0.420 896 L N -0.132 121.084 121.223 -0.013 0.000 1.976 896 L HA -0.335 4.005 4.340 -0.000 0.000 0.223 896 L C 2.381 179.208 176.870 -0.072 0.000 1.081 896 L CA 2.009 56.774 54.840 -0.126 0.000 0.784 896 L CB -0.774 41.205 42.059 -0.135 0.000 0.896 896 L HN 0.375 nan 8.230 nan 0.000 0.438 897 H N -1.266 117.830 119.070 0.044 0.000 2.319 897 H HA -0.269 4.287 4.556 -0.000 0.000 0.297 897 H C 2.414 177.884 175.328 0.237 0.000 1.097 897 H CA 1.927 58.064 56.048 0.149 0.000 1.285 897 H CB 0.006 29.889 29.762 0.202 0.000 1.368 897 H HN 0.348 nan 8.280 nan 0.000 0.495 898 Q N 0.384 120.371 119.800 0.311 0.000 2.077 898 Q HA -0.197 4.143 4.340 -0.000 0.000 0.206 898 Q C 2.149 178.222 176.000 0.122 0.000 0.989 898 Q CA 1.684 57.645 55.803 0.262 0.000 0.853 898 Q CB -0.061 28.750 28.738 0.121 0.000 0.907 898 Q HN 0.469 nan 8.270 nan 0.000 0.418 899 L N -0.206 121.011 121.223 -0.009 0.000 1.976 899 L HA -0.214 4.126 4.340 -0.000 0.000 0.209 899 L C 2.618 179.422 176.870 -0.109 0.000 1.071 899 L CA 1.539 56.316 54.840 -0.106 0.000 0.746 899 L CB -0.461 41.477 42.059 -0.202 0.000 0.890 899 L HN 0.167 nan 8.230 nan 0.000 0.432 900 R N -0.107 120.322 120.500 -0.118 0.000 2.140 900 R HA -0.215 4.125 4.340 -0.000 0.000 0.250 900 R C 2.199 178.323 176.300 -0.294 0.000 1.150 900 R CA 1.535 57.530 56.100 -0.175 0.000 0.966 900 R CB -0.984 29.215 30.300 -0.168 0.000 0.869 900 R HN 0.526 nan 8.270 nan 0.000 0.445 901 G N 0.574 109.097 108.800 -0.462 0.000 2.509 901 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.218 901 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.218 901 G C 1.236 175.978 174.900 -0.262 0.000 1.124 901 G CA 0.027 44.684 45.100 -0.739 0.000 0.776 901 G HN 0.140 nan 8.290 nan 0.000 0.547 902 R N 0.000 120.420 120.500 -0.135 0.000 2.105 902 R HA -0.018 4.322 4.340 -0.000 0.000 0.239 902 R C 0.948 177.277 176.300 0.048 0.000 1.135 902 R CA 0.309 56.364 56.100 -0.075 0.000 0.967 902 R CB -1.046 29.136 30.300 -0.198 0.000 0.861 902 R HN 0.312 nan 8.270 nan 0.000 0.442 903 V N -0.442 119.490 119.914 0.031 0.000 2.837 903 V HA 0.656 4.776 4.120 -0.000 0.000 0.310 903 V C 0.419 176.495 176.094 -0.030 0.000 1.059 903 V CA -0.046 62.297 62.300 0.071 0.000 1.004 903 V CB 1.575 33.448 31.823 0.084 0.000 1.045 903 V HN 0.607 nan 8.190 nan 0.000 0.465 904 G N 3.043 111.836 108.800 -0.011 0.000 2.621 904 G HA2 0.210 4.170 3.960 -0.000 0.000 0.355 904 G HA3 0.210 4.170 3.960 -0.000 0.000 0.355 904 G C -1.271 173.617 174.900 -0.020 0.000 1.509 904 G CA -0.827 44.242 45.100 -0.053 0.000 1.000 904 G HN 0.758 nan 8.290 nan 0.000 0.646 905 R N 1.132 121.620 120.500 -0.019 0.000 2.744 905 R HA 0.764 5.104 4.340 -0.000 0.000 0.279 905 R C 0.266 176.567 176.300 0.002 0.000 0.977 905 R CA -0.408 55.708 56.100 0.027 0.000 0.906 905 R CB 1.605 31.949 30.300 0.072 0.000 1.197 905 R HN 0.751 nan 8.270 nan 0.000 0.463 906 S N 2.569 118.275 115.700 0.011 0.000 2.537 906 S HA 0.262 4.731 4.470 -0.000 0.000 0.275 906 S C -0.088 174.483 174.600 -0.048 0.000 1.272 906 S CA -0.436 57.693 58.200 -0.118 0.000 1.050 906 S CB 0.779 63.869 63.200 -0.183 0.000 0.961 906 S HN 0.934 nan 8.310 nan 0.000 0.496 907 H N -0.141 118.899 119.070 -0.050 0.000 3.433 907 H HA -0.124 4.432 4.556 -0.000 0.000 0.197 907 H C -0.380 174.676 175.328 -0.453 0.000 1.059 907 H CA 1.454 57.422 56.048 -0.133 0.000 1.185 907 H CB -1.804 27.853 29.762 -0.175 0.000 1.106 907 H HN 0.829 nan 8.280 nan 0.000 0.329 908 H N -0.321 118.663 119.070 -0.144 0.000 2.961 908 H HA 0.372 4.928 4.556 -0.000 0.000 0.371 908 H C 0.028 175.090 175.328 -0.444 0.000 1.190 908 H CA -0.694 55.230 56.048 -0.208 0.000 1.138 908 H CB 2.043 31.783 29.762 -0.038 0.000 1.816 908 H HN 0.053 nan 8.280 nan 0.000 0.551 909 Q N 0.851 120.516 119.800 -0.225 0.000 2.306 909 Q HA 0.608 4.948 4.340 -0.000 0.000 0.241 909 Q C -1.214 174.629 176.000 -0.261 0.000 0.948 909 Q CA -0.519 55.085 55.803 -0.332 0.000 0.886 909 Q CB 1.110 29.677 28.738 -0.284 0.000 1.227 909 Q HN 0.753 nan 8.270 nan 0.000 0.457 910 A N 3.000 125.574 122.820 -0.410 0.000 2.414 910 A HA 0.701 5.021 4.320 -0.000 0.000 0.306 910 A C -1.853 175.522 177.584 -0.347 0.000 1.054 910 A CA -0.566 51.354 52.037 -0.195 0.000 0.724 910 A CB 0.871 19.817 19.000 -0.091 0.000 1.267 910 A HN 0.673 nan 8.150 nan 0.000 0.418 911 Y N 0.015 120.343 120.300 0.048 0.000 2.468 911 Y HA 0.719 5.269 4.550 -0.000 0.000 0.342 911 Y C 0.414 176.337 175.900 0.038 0.000 1.021 911 Y CA -0.956 57.175 58.100 0.052 0.000 1.079 911 Y CB 2.293 40.864 38.460 0.185 0.000 1.226 911 Y HN 0.889 nan 8.280 nan 0.000 0.460 912 A N 1.870 124.694 122.820 0.006 0.000 2.357 912 A HA 0.636 4.956 4.320 -0.000 0.000 0.295 912 A C -2.109 175.414 177.584 -0.103 0.000 1.121 912 A CA -0.656 51.386 52.037 0.009 0.000 0.742 912 A CB 0.188 19.145 19.000 -0.072 0.000 1.181 912 A HN 0.763 nan 8.150 nan 0.000 0.454 913 W N 3.246 124.668 121.300 0.204 0.000 2.294 913 W HA 0.556 5.216 4.660 -0.000 0.000 0.314 913 W C -0.420 176.178 176.519 0.131 0.000 1.044 913 W CA -0.396 57.079 57.345 0.217 0.000 1.284 913 W CB 1.256 30.839 29.460 0.205 0.000 1.231 913 W HN 0.433 nan 8.180 nan 0.000 0.419 914 L N 5.891 127.262 121.223 0.247 0.000 2.264 914 L HA 0.437 4.777 4.340 -0.000 0.000 0.287 914 L C -0.083 176.913 176.870 0.210 0.000 1.039 914 L CA -0.699 54.237 54.840 0.159 0.000 0.829 914 L CB 0.029 42.124 42.059 0.060 0.000 1.211 914 L HN 0.255 nan 8.230 nan 0.000 0.427 915 L N 2.478 123.830 121.223 0.215 0.000 2.357 915 L HA 0.617 4.957 4.340 -0.000 0.000 0.273 915 L C 0.375 177.329 176.870 0.139 0.000 1.080 915 L CA -0.079 54.893 54.840 0.221 0.000 0.803 915 L CB 1.573 43.806 42.059 0.290 0.000 1.174 915 L HN 0.504 nan 8.230 nan 0.000 0.443 916 T N 1.745 116.369 114.554 0.116 0.000 2.838 916 T HA 0.657 5.007 4.350 -0.000 0.000 0.292 916 T C -2.620 172.094 174.700 0.023 0.000 1.113 916 T CA -1.334 60.797 62.100 0.051 0.000 1.008 916 T CB 2.371 71.267 68.868 0.047 0.000 1.259 916 T HN 0.480 nan 8.240 nan 0.000 0.520 917 P HA 0.409 nan 4.420 nan 0.000 0.338 917 P C -0.798 176.468 177.300 -0.057 0.000 1.273 917 P CA -0.561 62.504 63.100 -0.058 0.000 0.778 917 P CB 0.691 32.370 31.700 -0.033 0.000 1.452 918 H N -0.201 118.890 119.070 0.034 0.000 2.886 918 H HA 0.070 4.626 4.556 -0.000 0.000 0.329 918 H C -1.449 173.891 175.328 0.020 0.000 1.044 918 H CA -0.721 55.346 56.048 0.031 0.000 1.456 918 H CB -0.127 29.652 29.762 0.028 0.000 1.464 918 H HN 0.227 nan 8.280 nan 0.000 0.573 919 P HA -0.204 nan 4.420 nan 0.000 0.219 919 P C 1.297 178.636 177.300 0.066 0.000 1.144 919 P CA 1.849 64.998 63.100 0.082 0.000 0.806 919 P CB 0.223 31.966 31.700 0.072 0.000 0.771 920 K N -0.908 119.539 120.400 0.078 0.000 2.211 920 K HA 0.029 4.349 4.320 -0.000 0.000 0.203 920 K C 1.530 178.154 176.600 0.041 0.000 1.050 920 K CA 1.571 57.885 56.287 0.045 0.000 0.945 920 K CB -0.493 32.022 32.500 0.024 0.000 0.732 920 K HN 0.015 nan 8.250 nan 0.000 0.451 921 A N 1.016 123.869 122.820 0.056 0.000 2.535 921 A HA 0.329 4.649 4.320 -0.000 0.000 0.273 921 A C 0.148 177.737 177.584 0.008 0.000 1.267 921 A CA -0.603 51.455 52.037 0.034 0.000 0.940 921 A CB 0.022 19.049 19.000 0.045 0.000 1.101 921 A HN 0.364 nan 8.150 nan 0.000 0.521 922 M N 1.328 120.935 119.600 0.012 0.000 2.311 922 M HA 0.376 4.856 4.480 -0.000 0.000 0.325 922 M C -0.496 175.805 176.300 0.002 0.000 1.061 922 M CA -0.228 55.068 55.300 -0.008 0.000 0.957 922 M CB 1.382 33.983 32.600 0.001 0.000 1.646 922 M HN 0.185 nan 8.290 nan 0.000 0.434 923 T N 2.288 116.840 114.554 -0.004 0.000 2.908 923 T HA -0.008 4.342 4.350 -0.000 0.000 0.325 923 T C 1.424 176.131 174.700 0.011 0.000 1.092 923 T CA 0.569 62.673 62.100 0.007 0.000 1.125 923 T CB 0.471 69.346 68.868 0.010 0.000 1.016 923 T HN 0.860 nan 8.240 nan 0.000 0.550 924 T N -1.500 113.062 114.554 0.013 0.000 3.055 924 T HA -0.045 4.304 4.350 -0.000 0.000 0.265 924 T C 1.182 175.891 174.700 0.014 0.000 1.111 924 T CA 0.601 62.709 62.100 0.014 0.000 1.118 924 T CB 0.007 68.882 68.868 0.012 0.000 0.909 924 T HN 0.488 nan 8.240 nan 0.000 0.501 925 D N 1.438 121.847 120.400 0.015 0.000 2.194 925 D HA 0.182 4.821 4.640 -0.000 0.000 0.204 925 D C 2.372 178.684 176.300 0.020 0.000 0.964 925 D CA 1.064 55.074 54.000 0.017 0.000 0.846 925 D CB -0.151 40.661 40.800 0.019 0.000 0.962 925 D HN 0.572 nan 8.370 nan 0.000 0.490 926 A N 1.130 123.962 122.820 0.021 0.000 1.898 926 A HA -0.190 4.130 4.320 -0.000 0.000 0.216 926 A C 2.077 179.673 177.584 0.020 0.000 1.181 926 A CA 1.069 53.120 52.037 0.024 0.000 0.620 926 A CB -0.583 18.428 19.000 0.019 0.000 0.819 926 A HN 0.159 nan 8.150 nan 0.000 0.442 927 Q N -0.437 119.373 119.800 0.018 0.000 2.297 927 Q HA -0.207 4.133 4.340 -0.000 0.000 0.208 927 Q C 1.996 178.004 176.000 0.014 0.000 0.981 927 Q CA 1.696 57.510 55.803 0.018 0.000 0.876 927 Q CB -0.167 28.583 28.738 0.020 0.000 0.921 927 Q HN 0.735 nan 8.270 nan 0.000 0.446 928 K N 1.290 121.697 120.400 0.012 0.000 1.979 928 K HA -0.142 4.178 4.320 -0.000 0.000 0.213 928 K C 2.138 178.740 176.600 0.003 0.000 1.036 928 K CA 1.113 57.404 56.287 0.008 0.000 0.954 928 K CB -0.071 32.434 32.500 0.009 0.000 0.743 928 K HN 0.097 nan 8.250 nan 0.000 0.443 929 R N 0.954 121.458 120.500 0.008 0.000 2.185 929 R HA -0.182 4.158 4.340 -0.000 0.000 0.247 929 R C 2.161 178.453 176.300 -0.015 0.000 1.159 929 R CA 1.616 57.717 56.100 0.002 0.000 0.988 929 R CB -0.800 29.511 30.300 0.017 0.000 0.871 929 R HN 0.250 nan 8.270 nan 0.000 0.458 930 L N 1.297 122.518 121.223 -0.004 0.000 2.007 930 L HA -0.127 4.213 4.340 -0.000 0.000 0.205 930 L C 2.883 179.739 176.870 -0.024 0.000 1.073 930 L CA 1.836 56.669 54.840 -0.012 0.000 0.744 930 L CB -0.561 41.505 42.059 0.011 0.000 0.898 930 L HN 0.389 nan 8.230 nan 0.000 0.435 931 E N 0.735 120.928 120.200 -0.011 0.000 2.204 931 E HA -0.218 4.132 4.350 -0.000 0.000 0.195 931 E C 1.954 178.533 176.600 -0.035 0.000 0.990 931 E CA 1.178 57.569 56.400 -0.015 0.000 0.821 931 E CB -0.168 29.531 29.700 -0.002 0.000 0.750 931 E HN 0.417 nan 8.360 nan 0.000 0.477 932 A N 1.095 123.894 122.820 -0.036 0.000 2.014 932 A HA 0.014 4.334 4.320 -0.000 0.000 0.218 932 A C 2.164 179.706 177.584 -0.070 0.000 1.163 932 A CA 0.921 52.931 52.037 -0.046 0.000 0.652 932 A CB -0.359 18.623 19.000 -0.031 0.000 0.808 932 A HN 0.429 nan 8.150 nan 0.000 0.449 933 I N -1.312 119.205 120.570 -0.089 0.000 3.603 933 I HA 0.092 4.261 4.170 -0.000 0.000 0.297 933 I C 2.211 178.241 176.117 -0.145 0.000 1.269 933 I CA 0.765 61.982 61.300 -0.139 0.000 1.361 933 I CB 0.168 38.053 38.000 -0.190 0.000 1.063 933 I HN 0.273 nan 8.210 nan 0.000 0.448 934 A N -0.506 122.244 122.820 -0.117 0.000 2.067 934 A HA -0.060 4.260 4.320 -0.000 0.000 0.217 934 A C 2.292 179.789 177.584 -0.146 0.000 1.156 934 A CA 1.300 53.253 52.037 -0.139 0.000 0.683 934 A CB -0.406 18.547 19.000 -0.079 0.000 0.808 934 A HN 0.405 nan 8.150 nan 0.000 0.455 935 S N 0.204 115.839 115.700 -0.107 0.000 2.383 935 S HA 0.015 4.485 4.470 -0.000 0.000 0.227 935 S C 0.731 175.269 174.600 -0.104 0.000 1.026 935 S CA 0.279 58.424 58.200 -0.092 0.000 0.981 935 S CB -0.529 62.625 63.200 -0.076 0.000 0.818 935 S HN 0.542 nan 8.310 nan 0.000 0.472 936 L N 3.266 124.421 121.223 -0.113 0.000 2.654 936 L HA 0.020 4.360 4.340 -0.000 0.000 0.271 936 L C 1.370 178.162 176.870 -0.130 0.000 1.169 936 L CA -0.011 54.771 54.840 -0.098 0.000 0.947 936 L CB -0.149 41.865 42.059 -0.075 0.000 1.232 936 L HN 0.413 nan 8.230 nan 0.000 0.486 937 E N 1.874 122.017 120.200 -0.094 0.000 2.489 937 E HA 0.027 4.377 4.350 -0.000 0.000 0.193 937 E C -0.339 176.207 176.600 -0.089 0.000 1.057 937 E CA -0.134 56.206 56.400 -0.100 0.000 0.866 937 E CB 0.160 29.825 29.700 -0.058 0.000 0.916 937 E HN 0.773 nan 8.360 nan 0.000 0.500 938 D N 0.158 120.511 120.400 -0.080 0.000 2.720 938 D HA -0.008 4.632 4.640 -0.000 0.000 0.239 938 D C -1.024 175.241 176.300 -0.059 0.000 1.218 938 D CA -0.796 53.161 54.000 -0.072 0.000 0.748 938 D CB 0.684 41.463 40.800 -0.036 0.000 1.387 938 D HN 0.034 nan 8.370 nan 0.000 0.438 939 L N 2.129 123.302 121.223 -0.082 0.000 2.451 939 L HA 0.491 4.831 4.340 -0.000 0.000 0.272 939 L C 0.703 177.575 176.870 0.002 0.000 1.258 939 L CA 0.800 55.595 54.840 -0.076 0.000 1.132 939 L CB -0.322 41.626 42.059 -0.184 0.000 1.361 939 L HN 0.636 nan 8.230 nan 0.000 0.438 940 G N 1.519 110.349 108.800 0.050 0.000 3.434 940 G HA2 0.434 4.394 3.960 -0.000 0.000 0.197 940 G HA3 0.434 4.394 3.960 -0.000 0.000 0.197 940 G C 0.864 175.821 174.900 0.094 0.000 1.559 940 G CA 0.184 45.324 45.100 0.066 0.000 0.852 940 G HN 0.577 nan 8.290 nan 0.000 0.682 941 A N 0.011 122.869 122.820 0.064 0.000 1.841 941 A HA 0.091 4.411 4.320 -0.000 0.000 0.216 941 A C 2.674 180.261 177.584 0.004 0.000 1.199 941 A CA 2.786 54.843 52.037 0.034 0.000 0.621 941 A CB -1.562 17.465 19.000 0.046 0.000 0.835 941 A HN 1.263 nan 8.150 nan 0.000 0.445 942 G N -1.417 107.399 108.800 0.026 0.000 2.550 942 G HA2 -0.335 3.625 3.960 -0.000 0.000 0.222 942 G HA3 -0.335 3.625 3.960 -0.000 0.000 0.222 942 G C 1.432 176.115 174.900 -0.361 0.000 1.113 942 G CA 1.494 46.540 45.100 -0.090 0.000 0.748 942 G HN 0.513 nan 8.290 nan 0.000 0.585 943 F N 2.188 121.973 119.950 -0.275 0.000 2.163 943 F HA 0.258 4.785 4.527 -0.000 0.000 0.297 943 F C 2.734 178.425 175.800 -0.183 0.000 1.094 943 F CA 0.926 58.775 58.000 -0.250 0.000 1.290 943 F CB -0.512 38.460 39.000 -0.048 0.000 1.017 943 F HN 0.219 nan 8.300 nan 0.000 0.483 944 A N 0.629 123.334 122.820 -0.193 0.000 1.877 944 A HA -0.137 4.183 4.320 -0.000 0.000 0.216 944 A C 2.113 179.551 177.584 -0.244 0.000 1.186 944 A CA 1.675 53.570 52.037 -0.237 0.000 0.620 944 A CB -1.092 17.848 19.000 -0.100 0.000 0.822 944 A HN 0.371 nan 8.150 nan 0.000 0.443 945 L N -0.587 120.518 121.223 -0.196 0.000 2.083 945 L HA -0.128 4.212 4.340 -0.000 0.000 0.209 945 L C 2.972 179.754 176.870 -0.146 0.000 1.083 945 L CA 1.968 56.722 54.840 -0.142 0.000 0.752 945 L CB -1.738 40.260 42.059 -0.103 0.000 0.899 945 L HN 0.450 nan 8.230 nan 0.000 0.433 946 A N -1.035 121.612 122.820 -0.288 0.000 1.930 946 A HA -0.160 4.160 4.320 -0.000 0.000 0.217 946 A C 2.297 179.711 177.584 -0.284 0.000 1.175 946 A CA 2.006 53.868 52.037 -0.291 0.000 0.627 946 A CB -0.773 17.964 19.000 -0.438 0.000 0.815 946 A HN 0.424 nan 8.150 nan 0.000 0.443 947 T N -1.357 112.947 114.554 -0.417 0.000 2.962 947 T HA -0.098 4.252 4.350 -0.000 0.000 0.270 947 T C 1.790 176.364 174.700 -0.210 0.000 1.088 947 T CA 1.632 63.503 62.100 -0.383 0.000 1.127 947 T CB -0.339 68.205 68.868 -0.541 0.000 0.883 947 T HN 0.733 nan 8.240 nan 0.000 0.493 948 H N 1.896 120.798 119.070 -0.281 0.000 2.299 948 H HA -0.036 4.520 4.556 -0.000 0.000 0.302 948 H C 1.932 177.096 175.328 -0.273 0.000 1.078 948 H CA 1.481 57.378 56.048 -0.251 0.000 1.323 948 H CB -0.333 29.298 29.762 -0.219 0.000 1.381 948 H HN 0.163 nan 8.280 nan 0.000 0.498 949 D N 0.164 120.425 120.400 -0.233 0.000 2.123 949 D HA -0.163 4.477 4.640 -0.000 0.000 0.196 949 D C 2.347 178.477 176.300 -0.284 0.000 0.992 949 D CA 1.015 54.841 54.000 -0.290 0.000 0.833 949 D CB -0.444 40.259 40.800 -0.162 0.000 0.954 949 D HN 0.278 nan 8.370 nan 0.000 0.455 950 L N 1.437 122.528 121.223 -0.219 0.000 2.043 950 L HA -0.202 4.137 4.340 -0.000 0.000 0.212 950 L C 2.080 178.821 176.870 -0.215 0.000 1.075 950 L CA 1.757 56.488 54.840 -0.182 0.000 0.752 950 L CB -0.410 41.561 42.059 -0.147 0.000 0.891 950 L HN 0.001 nan 8.230 nan 0.000 0.432 951 E N -0.844 119.197 120.200 -0.264 0.000 2.106 951 E HA -0.195 4.155 4.350 -0.000 0.000 0.192 951 E C 2.278 178.658 176.600 -0.367 0.000 0.984 951 E CA 1.341 57.579 56.400 -0.271 0.000 0.806 951 E CB -0.140 29.405 29.700 -0.258 0.000 0.750 951 E HN 0.538 nan 8.360 nan 0.000 0.458 952 I N 0.695 120.937 120.570 -0.546 0.000 2.286 952 I HA -0.262 3.908 4.170 -0.000 0.000 0.248 952 I C 2.659 178.564 176.117 -0.352 0.000 1.115 952 I CA 0.914 61.828 61.300 -0.644 0.000 1.392 952 I CB -0.225 37.294 38.000 -0.801 0.000 1.065 952 I HN 0.038 nan 8.210 nan 0.000 0.418 953 R N 1.078 121.413 120.500 -0.276 0.000 2.096 953 R HA -0.128 4.212 4.340 -0.000 0.000 0.235 953 R C 2.323 178.512 176.300 -0.186 0.000 1.127 953 R CA 1.491 57.473 56.100 -0.196 0.000 0.968 953 R CB -0.418 29.786 30.300 -0.160 0.000 0.861 953 R HN 0.416 nan 8.270 nan 0.000 0.440 954 G N 0.134 108.824 108.800 -0.183 0.000 2.453 954 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.215 954 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.215 954 G C 1.519 176.348 174.900 -0.117 0.000 1.201 954 G CA 0.841 45.855 45.100 -0.144 0.000 0.784 954 G HN 0.462 nan 8.290 nan 0.000 0.545 955 A N 0.853 123.604 122.820 -0.116 0.000 1.958 955 A HA 0.016 4.336 4.320 -0.000 0.000 0.221 955 A C 2.657 180.211 177.584 -0.050 0.000 1.178 955 A CA 2.415 54.428 52.037 -0.040 0.000 0.642 955 A CB -1.153 17.860 19.000 0.022 0.000 0.816 955 A HN 0.626 nan 8.150 nan 0.000 0.453 956 G N -0.386 108.351 108.800 -0.104 0.000 2.484 956 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.215 956 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.215 956 G C 1.339 176.188 174.900 -0.085 0.000 1.219 956 G CA 0.939 45.977 45.100 -0.103 0.000 0.791 956 G HN 0.669 nan 8.290 nan 0.000 0.550 957 E N -0.032 120.090 120.200 -0.130 0.000 2.171 957 E HA -0.156 4.194 4.350 -0.000 0.000 0.197 957 E C 2.341 178.922 176.600 -0.032 0.000 0.997 957 E CA 0.753 57.069 56.400 -0.140 0.000 0.810 957 E CB -0.182 29.297 29.700 -0.368 0.000 0.738 957 E HN 0.338 nan 8.360 nan 0.000 0.467 958 L N 0.730 121.940 121.223 -0.021 0.000 1.988 958 L HA -0.143 4.197 4.340 -0.000 0.000 0.207 958 L C 2.032 178.923 176.870 0.035 0.000 1.071 958 L CA 1.692 56.546 54.840 0.023 0.000 0.744 958 L CB -0.291 41.784 42.059 0.027 0.000 0.893 958 L HN 0.101 nan 8.230 nan 0.000 0.433 959 L N -0.707 120.534 121.223 0.029 0.000 2.313 959 L HA 0.277 4.617 4.340 -0.000 0.000 0.214 959 L C 0.923 177.816 176.870 0.039 0.000 1.119 959 L CA 0.332 55.199 54.840 0.045 0.000 0.809 959 L CB -0.907 41.189 42.059 0.062 0.000 0.933 959 L HN 0.514 nan 8.230 nan 0.000 0.449 960 G N 0.153 108.967 108.800 0.023 0.000 2.576 960 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.686 960 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.686 960 G C 0.098 175.007 174.900 0.015 0.000 1.242 960 G CA -0.155 44.962 45.100 0.028 0.000 0.819 960 G HN 0.041 nan 8.290 nan 0.000 0.655 961 E N 0.541 120.752 120.200 0.019 0.000 2.097 961 E HA -0.107 4.243 4.350 -0.000 0.000 0.196 961 E C 2.670 179.281 176.600 0.017 0.000 1.000 961 E CA 3.356 59.763 56.400 0.013 0.000 0.804 961 E CB -0.275 29.437 29.700 0.020 0.000 0.740 961 E HN 1.232 nan 8.360 nan 0.000 0.454 962 E N 0.418 120.635 120.200 0.027 0.000 2.160 962 E HA -0.233 4.117 4.350 -0.000 0.000 0.195 962 E C 1.932 178.560 176.600 0.046 0.000 0.991 962 E CA 1.697 58.118 56.400 0.035 0.000 0.810 962 E CB -0.620 29.102 29.700 0.037 0.000 0.742 962 E HN 0.323 nan 8.360 nan 0.000 0.466 963 Q N -0.386 119.439 119.800 0.041 0.000 2.204 963 Q HA 0.065 4.405 4.340 -0.000 0.000 0.198 963 Q C 2.585 178.550 176.000 -0.057 0.000 0.946 963 Q CA 1.210 57.040 55.803 0.044 0.000 0.859 963 Q CB 0.056 28.832 28.738 0.064 0.000 0.946 963 Q HN 0.541 nan 8.270 nan 0.000 0.474 964 S N 1.087 116.753 115.700 -0.056 0.000 2.387 964 S HA -0.145 4.325 4.470 -0.000 0.000 0.230 964 S C 1.926 176.503 174.600 -0.039 0.000 1.035 964 S CA 1.289 59.442 58.200 -0.077 0.000 1.014 964 S CB -0.522 62.648 63.200 -0.050 0.000 0.836 964 S HN 0.614 nan 8.310 nan 0.000 0.466 965 G N 1.333 110.135 108.800 0.004 0.000 2.433 965 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.216 965 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.216 965 G C 1.595 176.537 174.900 0.070 0.000 1.186 965 G CA 1.138 46.262 45.100 0.041 0.000 0.779 965 G HN 0.529 nan 8.290 nan 0.000 0.543 966 S N 0.548 116.297 115.700 0.082 0.000 2.359 966 S HA -0.173 4.297 4.470 -0.000 0.000 0.223 966 S C 2.414 177.108 174.600 0.156 0.000 1.039 966 S CA 1.711 60.003 58.200 0.153 0.000 1.042 966 S CB -0.382 62.978 63.200 0.266 0.000 0.915 966 S HN 0.346 nan 8.310 nan 0.000 0.439 967 M N 0.915 120.491 119.600 -0.040 0.000 2.143 967 M HA -0.230 4.249 4.480 -0.000 0.000 0.258 967 M C 2.386 178.729 176.300 0.073 0.000 1.071 967 M CA 1.723 56.955 55.300 -0.113 0.000 1.088 967 M CB -0.446 31.973 32.600 -0.302 0.000 1.360 967 M HN 0.431 nan 8.290 nan 0.000 0.404 968 E N -0.600 119.657 120.200 0.095 0.000 2.208 968 E HA -0.130 4.220 4.350 -0.000 0.000 0.193 968 E C 1.515 178.318 176.600 0.339 0.000 0.988 968 E CA 1.509 58.029 56.400 0.200 0.000 0.828 968 E CB 0.182 29.964 29.700 0.138 0.000 0.763 968 E HN 0.450 nan 8.360 nan 0.000 0.478 969 T N 1.842 116.566 114.554 0.284 0.000 2.698 969 T HA -0.078 4.272 4.350 -0.000 0.000 0.260 969 T C 1.906 176.922 174.700 0.526 0.000 1.044 969 T CA 1.489 63.797 62.100 0.346 0.000 1.149 969 T CB -0.208 68.808 68.868 0.246 0.000 0.864 969 T HN 0.421 nan 8.240 nan 0.000 0.419 970 I N -0.839 119.995 120.570 0.440 0.000 3.883 970 I HA 0.502 4.672 4.170 -0.000 0.000 0.326 970 I C 0.872 177.319 176.117 0.549 0.000 1.283 970 I CA -0.224 61.400 61.300 0.540 0.000 1.161 970 I CB -0.781 37.340 38.000 0.200 0.000 1.012 970 I HN 0.326 nan 8.210 nan 0.000 0.421 971 G N 1.585 110.669 108.800 0.473 0.000 2.721 971 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.686 971 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.686 971 G C -0.283 174.731 174.900 0.190 0.000 1.236 971 G CA -0.047 45.188 45.100 0.225 0.000 0.786 971 G HN 0.323 nan 8.290 nan 0.000 0.616 972 F N 1.843 121.745 119.950 -0.080 0.000 2.134 972 F HA -0.018 4.509 4.527 -0.000 0.000 0.299 972 F C 2.777 178.642 175.800 0.108 0.000 1.097 972 F CA 2.642 60.638 58.000 -0.007 0.000 1.264 972 F CB -0.162 38.761 39.000 -0.128 0.000 1.001 972 F HN 0.662 nan 8.300 nan 0.000 0.479 973 S N 0.479 116.301 115.700 0.203 0.000 2.377 973 S HA -0.285 4.185 4.470 -0.000 0.000 0.224 973 S C 2.018 176.633 174.600 0.024 0.000 1.042 973 S CA 1.919 60.189 58.200 0.118 0.000 1.086 973 S CB -0.923 62.364 63.200 0.144 0.000 0.995 973 S HN 0.439 nan 8.310 nan 0.000 0.428 974 L N 0.675 121.952 121.223 0.091 0.000 2.012 974 L HA -0.072 4.268 4.340 -0.000 0.000 0.210 974 L C 2.040 178.896 176.870 -0.023 0.000 1.073 974 L CA 2.313 57.192 54.840 0.066 0.000 0.748 974 L CB -1.289 40.869 42.059 0.164 0.000 0.891 974 L HN 0.574 nan 8.230 nan 0.000 0.431 975 Y N -0.786 119.448 120.300 -0.110 0.000 2.193 975 Y HA -0.313 4.237 4.550 -0.000 0.000 0.285 975 Y C 2.233 177.965 175.900 -0.281 0.000 1.166 975 Y CA 2.167 60.157 58.100 -0.182 0.000 1.181 975 Y CB -0.063 38.280 38.460 -0.196 0.000 0.976 975 Y HN 0.215 nan 8.280 nan 0.000 0.520 976 M N 0.074 119.504 119.600 -0.284 0.000 2.419 976 M HA -0.093 4.387 4.480 -0.000 0.000 0.264 976 M C 1.739 177.909 176.300 -0.217 0.000 1.082 976 M CA 1.166 56.278 55.300 -0.314 0.000 1.119 976 M CB -0.729 31.635 32.600 -0.394 0.000 1.398 976 M HN 0.420 nan 8.290 nan 0.000 0.453 977 E N 0.045 120.143 120.200 -0.170 0.000 2.072 977 E HA -0.142 4.208 4.350 -0.000 0.000 0.190 977 E C 1.948 178.456 176.600 -0.154 0.000 0.982 977 E CA 0.885 57.214 56.400 -0.118 0.000 0.803 977 E CB -0.084 29.577 29.700 -0.066 0.000 0.755 977 E HN 0.258 nan 8.360 nan 0.000 0.453 978 L N 0.649 121.738 121.223 -0.222 0.000 2.046 978 L HA -0.181 4.159 4.340 -0.000 0.000 0.208 978 L C 2.341 179.056 176.870 -0.258 0.000 1.077 978 L CA 1.165 55.857 54.840 -0.247 0.000 0.747 978 L CB -0.717 41.144 42.059 -0.329 0.000 0.896 978 L HN 0.151 nan 8.230 nan 0.000 0.432 979 L N -0.572 120.449 121.223 -0.337 0.000 2.005 979 L HA -0.161 4.179 4.340 -0.000 0.000 0.207 979 L C 2.453 179.234 176.870 -0.149 0.000 1.072 979 L CA 1.630 56.319 54.840 -0.252 0.000 0.744 979 L CB -0.631 41.275 42.059 -0.256 0.000 0.895 979 L HN 0.315 nan 8.230 nan 0.000 0.433 980 E N -0.509 119.613 120.200 -0.130 0.000 2.070 980 E HA -0.314 4.036 4.350 -0.000 0.000 0.197 980 E C 1.933 178.485 176.600 -0.080 0.000 1.004 980 E CA 1.611 57.959 56.400 -0.087 0.000 0.805 980 E CB -0.393 29.264 29.700 -0.072 0.000 0.744 980 E HN 0.621 nan 8.360 nan 0.000 0.451 981 N N 0.952 119.598 118.700 -0.089 0.000 2.039 981 N HA -0.168 4.572 4.740 -0.000 0.000 0.193 981 N C 1.781 177.246 175.510 -0.076 0.000 1.044 981 N CA 1.899 54.904 53.050 -0.075 0.000 0.847 981 N CB -0.288 38.153 38.487 -0.077 0.000 1.030 981 N HN 0.114 nan 8.380 nan 0.000 0.422 982 A N -0.249 122.514 122.820 -0.094 0.000 2.084 982 A HA -0.101 4.219 4.320 -0.000 0.000 0.221 982 A C 2.271 179.812 177.584 -0.070 0.000 1.161 982 A CA 1.706 53.691 52.037 -0.086 0.000 0.653 982 A CB -0.722 18.213 19.000 -0.108 0.000 0.802 982 A HN 0.256 nan 8.150 nan 0.000 0.457 983 V N -0.180 119.691 119.914 -0.071 0.000 2.341 983 V HA -0.123 3.997 4.120 -0.000 0.000 0.240 983 V C 2.004 178.065 176.094 -0.055 0.000 1.035 983 V CA 1.675 63.938 62.300 -0.061 0.000 1.033 983 V CB -0.697 31.088 31.823 -0.062 0.000 0.678 983 V HN 0.446 nan 8.190 nan 0.000 0.464 984 D N 0.599 120.967 120.400 -0.053 0.000 2.271 984 D HA -0.170 4.470 4.640 -0.000 0.000 0.207 984 D C 2.040 178.315 176.300 -0.041 0.000 0.983 984 D CA 1.590 55.562 54.000 -0.046 0.000 0.878 984 D CB -0.089 40.686 40.800 -0.042 0.000 0.920 984 D HN 0.458 nan 8.370 nan 0.000 0.479 985 A N 0.591 123.385 122.820 -0.043 0.000 1.826 985 A HA -0.114 4.206 4.320 -0.000 0.000 0.214 985 A C 2.148 179.711 177.584 -0.035 0.000 1.212 985 A CA 0.800 52.814 52.037 -0.038 0.000 0.605 985 A CB -0.791 18.184 19.000 -0.042 0.000 0.861 985 A HN 0.137 nan 8.150 nan 0.000 0.447 986 L N 0.066 121.266 121.223 -0.038 0.000 2.187 986 L HA -0.136 4.204 4.340 -0.000 0.000 0.213 986 L C 2.095 178.946 176.870 -0.032 0.000 1.100 986 L CA 1.700 56.520 54.840 -0.033 0.000 0.765 986 L CB -0.481 41.558 42.059 -0.033 0.000 0.904 986 L HN 0.320 nan 8.230 nan 0.000 0.437 987 K N -0.666 119.711 120.400 -0.038 0.000 2.555 987 K HA 0.162 4.481 4.320 -0.000 0.000 0.193 987 K C 0.886 177.468 176.600 -0.031 0.000 1.032 987 K CA 0.617 56.880 56.287 -0.039 0.000 1.004 987 K CB 0.026 32.496 32.500 -0.049 0.000 0.804 987 K HN 0.273 nan 8.250 nan 0.000 0.496 988 A N -0.321 122.483 122.820 -0.027 0.000 2.663 988 A HA 0.439 4.758 4.320 -0.000 0.000 0.273 988 A C 0.922 178.494 177.584 -0.019 0.000 0.932 988 A CA 0.146 52.169 52.037 -0.023 0.000 1.055 988 A CB 0.053 19.040 19.000 -0.023 0.000 1.206 988 A HN 0.275 nan 8.150 nan 0.000 0.485 989 G N 0.546 109.335 108.800 -0.019 0.000 2.480 989 G HA2 -0.359 3.601 3.960 -0.000 0.000 0.246 989 G HA3 -0.359 3.601 3.960 -0.000 0.000 0.246 989 G C 0.762 175.652 174.900 -0.017 0.000 1.073 989 G CA 0.794 45.884 45.100 -0.016 0.000 0.643 989 G HN 0.754 nan 8.290 nan 0.000 0.525 990 R N 0.794 121.282 120.500 -0.019 0.000 2.980 990 R HA 0.503 4.843 4.340 -0.000 0.000 0.285 990 R C 0.372 176.658 176.300 -0.022 0.000 1.072 990 R CA 0.315 56.403 56.100 -0.020 0.000 1.203 990 R CB 0.305 30.592 30.300 -0.022 0.000 1.163 990 R HN 0.385 nan 8.270 nan 0.000 0.545 991 E N 0.976 121.162 120.200 -0.023 0.000 2.235 991 E HA 0.150 4.500 4.350 -0.000 0.000 0.265 991 E C -1.642 174.938 176.600 -0.033 0.000 0.940 991 E CA -2.005 54.379 56.400 -0.026 0.000 0.819 991 E CB 1.667 31.354 29.700 -0.023 0.000 1.206 991 E HN 0.405 nan 8.360 nan 0.000 0.409 992 P HA -0.154 nan 4.420 nan 0.000 0.223 992 P C 0.961 178.231 177.300 -0.050 0.000 1.144 992 P CA 1.061 64.131 63.100 -0.050 0.000 0.783 992 P CB 0.125 31.792 31.700 -0.056 0.000 0.771 993 S N 0.161 115.836 115.700 -0.041 0.000 2.693 993 S HA 0.051 4.521 4.470 -0.000 0.000 0.243 993 S C 1.686 176.265 174.600 -0.036 0.000 0.973 993 S CA 0.960 59.137 58.200 -0.039 0.000 0.969 993 S CB -1.592 61.590 63.200 -0.030 0.000 0.771 993 S HN 0.262 nan 8.310 nan 0.000 0.542 994 L N 1.119 122.318 121.223 -0.039 0.000 3.566 994 L HA 0.225 4.565 4.340 -0.000 0.000 0.256 994 L C 1.334 178.182 176.870 -0.036 0.000 1.404 994 L CA 0.590 55.409 54.840 -0.035 0.000 1.080 994 L CB -1.726 40.310 42.059 -0.038 0.000 1.522 994 L HN 0.446 nan 8.230 nan 0.000 0.430 995 E N 0.307 120.486 120.200 -0.036 0.000 2.452 995 E HA -0.105 4.245 4.350 -0.000 0.000 0.209 995 E C 1.724 178.311 176.600 -0.022 0.000 1.228 995 E CA 0.888 57.267 56.400 -0.035 0.000 0.968 995 E CB -1.279 28.401 29.700 -0.033 0.000 0.947 995 E HN 0.921 nan 8.360 nan 0.000 0.564 996 D N 0.622 121.011 120.400 -0.019 0.000 2.263 996 D HA -0.098 4.542 4.640 -0.000 0.000 0.208 996 D C 2.073 178.370 176.300 -0.005 0.000 0.971 996 D CA 0.671 54.666 54.000 -0.010 0.000 0.867 996 D CB -0.392 40.401 40.800 -0.011 0.000 0.929 996 D HN 0.174 nan 8.370 nan 0.000 0.492 997 L N 0.326 121.542 121.223 -0.013 0.000 2.010 997 L HA -0.086 4.254 4.340 -0.000 0.000 0.219 997 L C 2.475 179.356 176.870 0.018 0.000 1.077 997 L CA 1.481 56.319 54.840 -0.004 0.000 0.773 997 L CB -1.278 40.771 42.059 -0.016 0.000 0.892 997 L HN 0.482 nan 8.230 nan 0.000 0.436 998 T N 0.149 114.713 114.554 0.017 0.000 2.751 998 T HA 0.244 4.594 4.350 -0.000 0.000 0.279 998 T C 0.626 175.348 174.700 0.036 0.000 0.941 998 T CA 0.337 62.457 62.100 0.033 0.000 1.192 998 T CB -0.221 68.661 68.868 0.024 0.000 0.883 998 T HN 0.366 nan 8.240 nan 0.000 0.534 999 S N 2.229 117.961 115.700 0.054 0.000 2.593 999 S HA 0.558 5.028 4.470 -0.000 0.000 0.269 999 S C 0.439 175.068 174.600 0.048 0.000 1.334 999 S CA 0.048 58.277 58.200 0.048 0.000 1.015 999 S CB 0.513 63.746 63.200 0.056 0.000 0.912 999 S HN 1.165 nan 8.310 nan 0.000 0.541 1000 Q N 1.903 121.724 119.800 0.036 0.000 2.348 1000 Q HA 0.263 4.603 4.340 -0.000 0.000 0.251 1000 Q C 0.524 176.548 176.000 0.040 0.000 1.113 1000 Q CA -0.672 55.154 55.803 0.038 0.000 0.902 1000 Q CB -0.740 28.019 28.738 0.036 0.000 1.333 1000 Q HN 0.829 nan 8.270 nan 0.000 0.457 1001 Q N 0.562 120.394 119.800 0.054 0.000 2.352 1001 Q HA 0.485 4.825 4.340 -0.000 0.000 0.260 1001 Q C -0.102 175.925 176.000 0.045 0.000 0.976 1001 Q CA 0.213 56.053 55.803 0.061 0.000 0.881 1001 Q CB 0.538 29.326 28.738 0.083 0.000 1.235 1001 Q HN 0.648 nan 8.270 nan 0.000 0.419 1002 T N -0.404 114.171 114.554 0.035 0.000 2.900 1002 T HA 0.588 4.938 4.350 -0.000 0.000 0.295 1002 T C -0.872 173.846 174.700 0.031 0.000 1.044 1002 T CA -1.017 61.099 62.100 0.028 0.000 0.995 1002 T CB 1.946 70.823 68.868 0.014 0.000 1.072 1002 T HN 0.693 nan 8.240 nan 0.000 0.473 1003 E N 0.839 121.058 120.200 0.030 0.000 2.248 1003 E HA 0.609 4.959 4.350 -0.000 0.000 0.267 1003 E C -1.327 175.292 176.600 0.031 0.000 0.877 1003 E CA -1.151 55.267 56.400 0.031 0.000 0.759 1003 E CB 2.638 32.358 29.700 0.033 0.000 1.182 1003 E HN 0.462 nan 8.360 nan 0.000 0.418 1004 V N 2.508 122.441 119.914 0.032 0.000 2.340 1004 V HA 0.223 4.343 4.120 -0.000 0.000 0.277 1004 V C -0.684 175.434 176.094 0.041 0.000 1.017 1004 V CA -0.728 61.599 62.300 0.044 0.000 0.820 1004 V CB 1.064 32.914 31.823 0.045 0.000 1.028 1004 V HN 0.607 nan 8.190 nan 0.000 0.436 1005 E N 4.113 124.338 120.200 0.041 0.000 2.115 1005 E HA 0.482 4.832 4.350 -0.000 0.000 0.282 1005 E C -0.004 176.621 176.600 0.041 0.000 0.987 1005 E CA -0.167 56.252 56.400 0.032 0.000 0.797 1005 E CB 1.277 30.989 29.700 0.020 0.000 1.086 1005 E HN 0.592 nan 8.360 nan 0.000 0.397 1006 L N 4.116 125.363 121.223 0.040 0.000 2.959 1006 L HA 0.337 4.677 4.340 -0.000 0.000 0.259 1006 L C 0.385 177.271 176.870 0.027 0.000 1.185 1006 L CA -0.419 54.450 54.840 0.048 0.000 0.998 1006 L CB 0.098 42.195 42.059 0.064 0.000 1.337 1006 L HN 0.597 nan 8.230 nan 0.000 0.555 1007 R N 2.063 122.572 120.500 0.015 0.000 3.422 1007 R HA -0.177 4.163 4.340 -0.000 0.000 0.267 1007 R C -0.484 175.821 176.300 0.009 0.000 1.074 1007 R CA 0.956 57.060 56.100 0.006 0.000 0.718 1007 R CB -1.181 29.115 30.300 -0.008 0.000 1.157 1007 R HN 0.571 nan 8.270 nan 0.000 0.440 1008 M N -2.237 117.371 119.600 0.015 0.000 2.520 1008 M HA 0.668 5.148 4.480 -0.000 0.000 0.283 1008 M C -2.562 173.746 176.300 0.014 0.000 1.237 1008 M CA -2.207 53.101 55.300 0.013 0.000 0.885 1008 M CB 2.476 35.086 32.600 0.016 0.000 1.727 1008 M HN -0.178 nan 8.290 nan 0.000 0.468 1009 P HA 0.062 nan 4.420 nan 0.000 0.265 1009 P C -0.775 176.531 177.300 0.010 0.000 1.193 1009 P CA 0.217 63.325 63.100 0.013 0.000 0.765 1009 P CB 0.981 32.687 31.700 0.011 0.000 0.823 1010 S N 4.364 120.073 115.700 0.015 0.000 2.461 1010 S HA 0.563 5.033 4.470 -0.000 0.000 0.216 1010 S C -0.546 174.082 174.600 0.047 0.000 1.201 1010 S CA -0.647 57.566 58.200 0.021 0.000 1.171 1010 S CB -0.638 62.570 63.200 0.013 0.000 1.169 1010 S HN 0.456 nan 8.310 nan 0.000 0.456 1011 L N 0.946 122.218 121.223 0.080 0.000 2.963 1011 L HA 0.645 4.985 4.340 -0.000 0.000 0.273 1011 L C -1.920 175.045 176.870 0.158 0.000 1.078 1011 L CA -1.197 53.763 54.840 0.200 0.000 0.970 1011 L CB 1.302 43.464 42.059 0.171 0.000 1.564 1011 L HN 0.332 nan 8.230 nan 0.000 0.381 1012 L N 2.120 123.477 121.223 0.223 0.000 2.259 1012 L HA 0.448 4.788 4.340 -0.000 0.000 0.288 1012 L C -2.157 174.768 176.870 0.092 0.000 1.051 1012 L CA -1.506 53.361 54.840 0.044 0.000 0.824 1012 L CB 1.156 43.093 42.059 -0.204 0.000 1.206 1012 L HN 0.361 nan 8.230 nan 0.000 0.429 1013 P HA -0.129 nan 4.420 nan 0.000 0.264 1013 P C 0.488 177.848 177.300 0.100 0.000 1.179 1013 P CA 0.159 63.296 63.100 0.062 0.000 0.763 1013 P CB 0.685 32.386 31.700 0.001 0.000 0.806 1014 D N 2.065 122.510 120.400 0.075 0.000 2.149 1014 D HA -0.194 4.446 4.640 -0.000 0.000 0.198 1014 D C 0.443 176.773 176.300 0.050 0.000 0.990 1014 D CA 1.367 55.403 54.000 0.059 0.000 0.839 1014 D CB 0.067 40.901 40.800 0.056 0.000 0.948 1014 D HN 0.463 nan 8.370 nan 0.000 0.460 1015 D N -1.147 119.296 120.400 0.072 0.000 2.587 1015 D HA -0.019 4.621 4.640 -0.000 0.000 0.233 1015 D C 0.787 177.163 176.300 0.127 0.000 1.213 1015 D CA -0.424 53.621 54.000 0.074 0.000 0.827 1015 D CB -0.522 40.319 40.800 0.068 0.000 1.006 1015 D HN 0.199 nan 8.370 nan 0.000 0.490 1016 F N 0.478 120.378 119.950 -0.083 0.000 2.619 1016 F HA 0.446 4.972 4.527 -0.000 0.000 0.281 1016 F C -0.172 175.476 175.800 -0.253 0.000 1.065 1016 F CA -0.279 57.643 58.000 -0.131 0.000 1.304 1016 F CB 0.774 39.673 39.000 -0.168 0.000 1.059 1016 F HN -0.155 nan 8.300 nan 0.000 0.648 1017 I N 1.632 121.989 120.570 -0.355 0.000 2.649 1017 I HA 0.188 4.358 4.170 -0.000 0.000 0.275 1017 I C -2.125 173.863 176.117 -0.215 0.000 1.180 1017 I CA -1.423 59.554 61.300 -0.538 0.000 1.049 1017 I CB 1.634 39.135 38.000 -0.830 0.000 1.234 1017 I HN -0.167 nan 8.210 nan 0.000 0.506 1018 P HA -0.158 nan 4.420 nan 0.000 0.215 1018 P C 0.281 177.559 177.300 -0.037 0.000 1.153 1018 P CA 1.114 64.187 63.100 -0.045 0.000 0.853 1018 P CB 0.080 31.767 31.700 -0.022 0.000 0.788 1019 D N -0.725 119.647 120.400 -0.046 0.000 2.356 1019 D HA -0.034 4.606 4.640 -0.000 0.000 0.272 1019 D C 1.232 177.523 176.300 -0.014 0.000 1.337 1019 D CA 0.105 54.092 54.000 -0.022 0.000 0.970 1019 D CB 0.195 40.988 40.800 -0.012 0.000 1.092 1019 D HN -0.249 nan 8.370 nan 0.000 0.516 1020 V N 4.611 124.536 119.914 0.018 0.000 2.250 1020 V HA -0.323 3.797 4.120 -0.000 0.000 0.250 1020 V C 2.382 178.514 176.094 0.062 0.000 1.060 1020 V CA 1.837 64.171 62.300 0.056 0.000 1.030 1020 V CB -0.659 31.215 31.823 0.087 0.000 0.643 1020 V HN 0.726 nan 8.190 nan 0.000 0.445 1021 N N -0.411 118.317 118.700 0.046 0.000 2.205 1021 N HA -0.163 4.577 4.740 -0.000 0.000 0.186 1021 N C 1.822 177.330 175.510 -0.002 0.000 1.015 1021 N CA 2.060 55.117 53.050 0.012 0.000 0.862 1021 N CB -0.045 38.423 38.487 -0.031 0.000 0.986 1021 N HN 0.549 nan 8.380 nan 0.000 0.429 1022 T N 0.198 114.759 114.554 0.012 0.000 2.809 1022 T HA -0.010 4.340 4.350 -0.000 0.000 0.260 1022 T C 1.956 176.692 174.700 0.059 0.000 1.039 1022 T CA 0.499 62.632 62.100 0.055 0.000 1.141 1022 T CB 0.112 69.029 68.868 0.082 0.000 0.869 1022 T HN 0.239 nan 8.240 nan 0.000 0.437 1023 R N 0.478 120.948 120.500 -0.050 0.000 2.096 1023 R HA -0.121 4.219 4.340 -0.000 0.000 0.240 1023 R C 2.340 178.556 176.300 -0.139 0.000 1.139 1023 R CA 1.429 57.419 56.100 -0.183 0.000 0.952 1023 R CB -0.636 29.577 30.300 -0.146 0.000 0.854 1023 R HN 0.267 nan 8.270 nan 0.000 0.436 1024 L N 0.118 121.382 121.223 0.068 0.000 1.990 1024 L HA -0.214 4.125 4.340 -0.000 0.000 0.213 1024 L C 2.289 179.212 176.870 0.088 0.000 1.072 1024 L CA 2.443 57.394 54.840 0.184 0.000 0.755 1024 L CB -0.978 41.134 42.059 0.089 0.000 0.889 1024 L HN 0.194 nan 8.230 nan 0.000 0.432 1025 S N -1.317 114.383 115.700 0.000 0.000 2.374 1025 S HA -0.235 4.235 4.470 -0.000 0.000 0.227 1025 S C 1.942 176.466 174.600 -0.126 0.000 1.037 1025 S CA 1.751 59.906 58.200 -0.076 0.000 1.024 1025 S CB -0.610 62.525 63.200 -0.108 0.000 0.861 1025 S HN 0.509 nan 8.310 nan 0.000 0.456 1026 F N 0.243 120.119 119.950 -0.124 0.000 2.259 1026 F HA 0.097 4.624 4.527 -0.000 0.000 0.298 1026 F C 1.918 177.662 175.800 -0.094 0.000 1.088 1026 F CA 0.929 58.848 58.000 -0.136 0.000 1.358 1026 F CB -0.450 38.415 39.000 -0.225 0.000 1.040 1026 F HN 0.288 nan 8.300 nan 0.000 0.505 1027 Y N -0.194 120.179 120.300 0.123 0.000 2.060 1027 Y HA -0.285 4.265 4.550 -0.000 0.000 0.276 1027 Y C 2.690 178.604 175.900 0.023 0.000 1.127 1027 Y CA 1.123 59.262 58.100 0.065 0.000 1.104 1027 Y CB -0.402 38.079 38.460 0.035 0.000 0.983 1027 Y HN -0.268 nan 8.280 nan 0.000 0.483 1028 K N 1.043 121.548 120.400 0.174 0.000 2.077 1028 K HA -0.270 4.050 4.320 -0.000 0.000 0.213 1028 K C 2.010 178.629 176.600 0.033 0.000 1.051 1028 K CA 1.767 58.094 56.287 0.067 0.000 0.929 1028 K CB -0.456 32.045 32.500 0.003 0.000 0.715 1028 K HN 0.318 nan 8.250 nan 0.000 0.451 1029 R N 0.014 120.501 120.500 -0.022 0.000 2.097 1029 R HA -0.110 4.229 4.340 -0.000 0.000 0.236 1029 R C 2.585 178.888 176.300 0.005 0.000 1.135 1029 R CA 1.999 58.066 56.100 -0.056 0.000 0.934 1029 R CB -0.492 29.702 30.300 -0.177 0.000 0.846 1029 R HN 0.239 nan 8.270 nan 0.000 0.431 1030 I N 0.512 121.115 120.570 0.055 0.000 2.151 1030 I HA -0.356 3.814 4.170 -0.000 0.000 0.243 1030 I C 2.643 178.795 176.117 0.059 0.000 1.080 1030 I CA 1.512 62.858 61.300 0.078 0.000 1.339 1030 I CB -0.503 37.576 38.000 0.132 0.000 1.039 1030 I HN 0.296 nan 8.210 nan 0.000 0.409 1031 A N -0.052 122.818 122.820 0.084 0.000 1.865 1031 A HA -0.227 4.093 4.320 -0.000 0.000 0.217 1031 A C 2.347 179.953 177.584 0.036 0.000 1.191 1031 A CA 2.365 54.448 52.037 0.077 0.000 0.623 1031 A CB -0.873 18.213 19.000 0.142 0.000 0.826 1031 A HN 0.410 nan 8.150 nan 0.000 0.444 1032 S N -0.147 115.584 115.700 0.051 0.000 2.603 1032 S HA 0.379 4.849 4.470 -0.000 0.000 0.229 1032 S C 0.936 175.532 174.600 -0.007 0.000 0.972 1032 S CA 0.247 58.465 58.200 0.031 0.000 0.935 1032 S CB -0.685 62.534 63.200 0.033 0.000 0.769 1032 S HN 0.774 nan 8.310 nan 0.000 0.536 1033 A N 1.502 124.315 122.820 -0.013 0.000 2.406 1033 A HA 0.374 4.694 4.320 -0.000 0.000 0.243 1033 A C 0.996 178.560 177.584 -0.033 0.000 1.082 1033 A CA 0.019 52.044 52.037 -0.019 0.000 0.786 1033 A CB 0.436 19.431 19.000 -0.009 0.000 1.029 1033 A HN 0.383 nan 8.150 nan 0.000 0.495 1034 K N -0.521 119.860 120.400 -0.031 0.000 2.550 1034 K HA 0.111 4.431 4.320 -0.000 0.000 0.205 1034 K C 0.040 176.619 176.600 -0.035 0.000 1.429 1034 K CA 0.417 56.681 56.287 -0.038 0.000 0.997 1034 K CB 0.631 33.110 32.500 -0.035 0.000 1.328 1034 K HN 0.702 nan 8.250 nan 0.000 0.546 1035 T N 1.103 115.640 114.554 -0.028 0.000 2.902 1035 T HA 0.061 4.411 4.350 -0.000 0.000 0.280 1035 T C 0.911 175.597 174.700 -0.023 0.000 0.992 1035 T CA -0.359 61.724 62.100 -0.027 0.000 1.015 1035 T CB 1.989 70.844 68.868 -0.023 0.000 1.044 1035 T HN 0.150 nan 8.240 nan 0.000 0.520 1036 E N 0.435 120.620 120.200 -0.025 0.000 2.216 1036 E HA -0.129 4.221 4.350 -0.000 0.000 0.192 1036 E C 1.214 177.806 176.600 -0.014 0.000 0.988 1036 E CA 0.886 57.273 56.400 -0.021 0.000 0.834 1036 E CB 0.071 29.754 29.700 -0.027 0.000 0.772 1036 E HN 0.480 nan 8.360 nan 0.000 0.479 1037 N N 1.028 119.719 118.700 -0.014 0.000 2.173 1037 N HA -0.112 4.628 4.740 -0.000 0.000 0.184 1037 N C 1.362 176.870 175.510 -0.003 0.000 1.025 1037 N CA 1.174 54.219 53.050 -0.008 0.000 0.852 1037 N CB -0.208 38.272 38.487 -0.011 0.000 0.998 1037 N HN 0.198 nan 8.380 nan 0.000 0.427 1038 E N 0.475 120.671 120.200 -0.007 0.000 2.187 1038 E HA -0.186 4.164 4.350 -0.000 0.000 0.199 1038 E C 1.651 178.255 176.600 0.007 0.000 1.004 1038 E CA 0.703 57.101 56.400 -0.004 0.000 0.813 1038 E CB -0.186 29.508 29.700 -0.011 0.000 0.736 1038 E HN 0.371 nan 8.360 nan 0.000 0.468 1039 L N 0.647 121.875 121.223 0.008 0.000 2.095 1039 L HA -0.111 4.229 4.340 -0.000 0.000 0.204 1039 L C 2.499 179.387 176.870 0.030 0.000 1.080 1039 L CA 0.706 55.558 54.840 0.021 0.000 0.759 1039 L CB -0.091 41.975 42.059 0.012 0.000 0.914 1039 L HN 0.056 nan 8.230 nan 0.000 0.439 1040 E N -0.023 120.188 120.200 0.019 0.000 2.106 1040 E HA -0.249 4.100 4.350 -0.000 0.000 0.192 1040 E C 1.922 178.542 176.600 0.033 0.000 0.984 1040 E CA 0.976 57.389 56.400 0.021 0.000 0.806 1040 E CB 0.174 29.880 29.700 0.009 0.000 0.750 1040 E HN 0.310 nan 8.360 nan 0.000 0.458 1041 E N 0.899 121.116 120.200 0.030 0.000 2.051 1041 E HA -0.095 4.255 4.350 -0.000 0.000 0.192 1041 E C 2.072 178.713 176.600 0.069 0.000 0.991 1041 E CA 0.754 57.176 56.400 0.036 0.000 0.799 1041 E CB -0.284 29.428 29.700 0.020 0.000 0.748 1041 E HN 0.243 nan 8.360 nan 0.000 0.449 1042 I N 0.455 121.075 120.570 0.083 0.000 2.361 1042 I HA -0.273 3.897 4.170 -0.000 0.000 0.251 1042 I C 2.492 178.724 176.117 0.191 0.000 1.133 1042 I CA 1.151 62.547 61.300 0.159 0.000 1.413 1042 I CB -0.314 37.777 38.000 0.151 0.000 1.073 1042 I HN 0.137 nan 8.210 nan 0.000 0.424 1043 K N 1.249 121.720 120.400 0.119 0.000 2.002 1043 K HA -0.154 4.166 4.320 -0.000 0.000 0.209 1043 K C 2.145 178.801 176.600 0.094 0.000 1.048 1043 K CA 1.572 57.918 56.287 0.098 0.000 0.930 1043 K CB -0.051 32.484 32.500 0.058 0.000 0.714 1043 K HN 0.063 nan 8.250 nan 0.000 0.438 1044 V N 1.896 121.853 119.914 0.071 0.000 2.250 1044 V HA -0.320 3.800 4.120 -0.000 0.000 0.250 1044 V C 2.451 178.584 176.094 0.065 0.000 1.060 1044 V CA 2.471 64.803 62.300 0.053 0.000 1.030 1044 V CB -0.702 31.143 31.823 0.036 0.000 0.643 1044 V HN 0.536 nan 8.190 nan 0.000 0.445 1045 E N -0.035 120.225 120.200 0.100 0.000 2.023 1045 E HA -0.246 4.104 4.350 -0.000 0.000 0.196 1045 E C 2.272 178.949 176.600 0.129 0.000 1.003 1045 E CA 1.846 58.321 56.400 0.124 0.000 0.809 1045 E CB -0.248 29.585 29.700 0.221 0.000 0.755 1045 E HN 0.540 nan 8.360 nan 0.000 0.449 1046 L N 0.639 121.968 121.223 0.175 0.000 2.010 1046 L HA -0.292 4.048 4.340 -0.000 0.000 0.219 1046 L C 2.660 179.649 176.870 0.197 0.000 1.077 1046 L CA 1.555 56.471 54.840 0.127 0.000 0.773 1046 L CB -0.503 41.611 42.059 0.090 0.000 0.892 1046 L HN 0.348 nan 8.230 nan 0.000 0.436 1047 I N -0.747 119.908 120.570 0.141 0.000 2.179 1047 I HA -0.309 3.861 4.170 -0.000 0.000 0.242 1047 I C 2.419 178.544 176.117 0.014 0.000 1.088 1047 I CA 1.385 62.749 61.300 0.107 0.000 1.357 1047 I CB -0.533 37.505 38.000 0.064 0.000 1.051 1047 I HN 0.397 nan 8.210 nan 0.000 0.409 1048 D N 1.401 121.788 120.400 -0.022 0.000 2.116 1048 D HA -0.218 4.421 4.640 -0.000 0.000 0.193 1048 D C 2.226 178.388 176.300 -0.230 0.000 0.998 1048 D CA 1.678 55.623 54.000 -0.092 0.000 0.836 1048 D CB 0.066 40.823 40.800 -0.071 0.000 0.951 1048 D HN 0.315 nan 8.370 nan 0.000 0.449 1049 R N -1.719 118.564 120.500 -0.362 0.000 2.246 1049 R HA 0.069 4.408 4.340 -0.000 0.000 0.199 1049 R C 1.000 176.539 176.300 -1.268 0.000 0.984 1049 R CA 0.397 55.981 56.100 -0.859 0.000 1.015 1049 R CB 0.247 29.886 30.300 -1.101 0.000 0.930 1049 R HN 0.230 nan 8.270 nan 0.000 0.475 1050 F N -1.067 118.731 119.950 -0.255 0.000 2.915 1050 F HA 0.372 4.898 4.527 -0.000 0.000 0.347 1050 F C 1.139 176.881 175.800 -0.097 0.000 1.104 1050 F CA 0.066 57.882 58.000 -0.307 0.000 1.126 1050 F CB 0.980 39.523 39.000 -0.762 0.000 1.145 1050 F HN 0.098 nan 8.300 nan 0.000 0.541 1051 G N 1.276 110.125 108.800 0.082 0.000 2.512 1051 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.240 1051 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.240 1051 G C -0.591 174.420 174.900 0.185 0.000 1.246 1051 G CA -0.819 44.349 45.100 0.112 0.000 0.919 1051 G HN 0.042 nan 8.290 nan 0.000 0.577 1052 L N -0.120 121.185 121.223 0.137 0.000 2.529 1052 L HA 0.355 4.694 4.340 -0.000 0.000 0.287 1052 L C 0.803 177.743 176.870 0.117 0.000 1.241 1052 L CA 0.294 55.189 54.840 0.091 0.000 0.857 1052 L CB 0.351 42.436 42.059 0.044 0.000 1.113 1052 L HN 0.590 nan 8.230 nan 0.000 0.504 1053 L N 6.017 127.229 121.223 -0.018 0.000 2.276 1053 L HA 0.446 4.786 4.340 -0.000 0.000 0.286 1053 L C -1.918 174.782 176.870 -0.284 0.000 1.061 1053 L CA -1.241 53.470 54.840 -0.215 0.000 0.807 1053 L CB 0.752 42.733 42.059 -0.131 0.000 1.177 1053 L HN 0.506 nan 8.230 nan 0.000 0.429 1054 P HA 0.205 nan 4.420 nan 0.000 0.276 1054 P C 0.049 177.205 177.300 -0.240 0.000 1.244 1054 P CA -0.458 62.443 63.100 -0.332 0.000 0.801 1054 P CB 0.707 32.144 31.700 -0.438 0.000 1.006 1055 D N 1.676 121.991 120.400 -0.142 0.000 2.116 1055 D HA -0.139 4.501 4.640 -0.000 0.000 0.193 1055 D C -0.806 175.434 176.300 -0.100 0.000 0.998 1055 D CA 2.016 55.958 54.000 -0.097 0.000 0.836 1055 D CB -1.903 38.863 40.800 -0.057 0.000 0.951 1055 D HN 0.374 nan 8.370 nan 0.000 0.449 1056 P HA -0.060 nan 4.420 nan 0.000 0.221 1056 P C 0.981 178.225 177.300 -0.093 0.000 1.145 1056 P CA 1.584 64.638 63.100 -0.076 0.000 0.795 1056 P CB 0.042 31.708 31.700 -0.057 0.000 0.775 1057 A N -0.792 121.912 122.820 -0.193 0.000 1.878 1057 A HA -0.093 4.227 4.320 -0.000 0.000 0.213 1057 A C 2.331 179.848 177.584 -0.113 0.000 1.192 1057 A CA 0.762 52.681 52.037 -0.197 0.000 0.619 1057 A CB -0.835 17.892 19.000 -0.456 0.000 0.837 1057 A HN -0.091 nan 8.150 nan 0.000 0.446 1058 R N -0.152 120.272 120.500 -0.127 0.000 2.115 1058 R HA -0.151 4.188 4.340 -0.000 0.000 0.239 1058 R C 2.282 178.562 176.300 -0.034 0.000 1.133 1058 R CA 2.336 58.394 56.100 -0.070 0.000 0.935 1058 R CB -1.322 28.937 30.300 -0.069 0.000 0.853 1058 R HN 0.558 nan 8.270 nan 0.000 0.433 1059 T N 2.280 116.816 114.554 -0.031 0.000 2.624 1059 T HA -0.226 4.124 4.350 -0.000 0.000 0.268 1059 T C 1.884 176.589 174.700 0.008 0.000 1.041 1059 T CA 1.659 63.755 62.100 -0.006 0.000 1.159 1059 T CB -0.502 68.363 68.868 -0.005 0.000 0.863 1059 T HN 0.182 nan 8.240 nan 0.000 0.434 1060 L N 0.636 121.866 121.223 0.013 0.000 2.051 1060 L HA -0.133 4.207 4.340 -0.000 0.000 0.214 1060 L C 2.227 179.124 176.870 0.045 0.000 1.076 1060 L CA 1.730 56.596 54.840 0.044 0.000 0.758 1060 L CB -0.555 41.553 42.059 0.081 0.000 0.890 1060 L HN 0.297 nan 8.230 nan 0.000 0.433 1061 L N -1.319 119.924 121.223 0.032 0.000 2.044 1061 L HA -0.158 4.182 4.340 -0.000 0.000 0.205 1061 L C 2.273 179.156 176.870 0.021 0.000 1.075 1061 L CA 1.162 56.021 54.840 0.033 0.000 0.747 1061 L CB -0.837 41.238 42.059 0.028 0.000 0.903 1061 L HN 0.259 nan 8.230 nan 0.000 0.435 1062 D N 0.467 120.875 120.400 0.014 0.000 2.123 1062 D HA -0.187 4.453 4.640 -0.000 0.000 0.196 1062 D C 2.258 178.568 176.300 0.018 0.000 0.992 1062 D CA 1.330 55.337 54.000 0.013 0.000 0.833 1062 D CB -0.080 40.728 40.800 0.013 0.000 0.954 1062 D HN 0.279 nan 8.370 nan 0.000 0.455 1063 I N 1.032 121.615 120.570 0.023 0.000 2.142 1063 I HA -0.265 3.905 4.170 -0.000 0.000 0.240 1063 I C 2.476 178.603 176.117 0.017 0.000 1.078 1063 I CA 0.994 62.309 61.300 0.025 0.000 1.343 1063 I CB -0.312 37.705 38.000 0.027 0.000 1.046 1063 I HN -0.070 nan 8.210 nan 0.000 0.405 1064 A N 0.745 123.575 122.820 0.017 0.000 1.958 1064 A HA -0.315 4.005 4.320 -0.000 0.000 0.221 1064 A C 2.285 179.866 177.584 -0.006 0.000 1.178 1064 A CA 2.266 54.307 52.037 0.007 0.000 0.642 1064 A CB -0.597 18.416 19.000 0.022 0.000 0.816 1064 A HN 0.320 nan 8.150 nan 0.000 0.453 1065 R N -0.104 120.396 120.500 -0.000 0.000 2.090 1065 R HA 0.102 4.442 4.340 -0.000 0.000 0.228 1065 R C 1.836 178.128 176.300 -0.012 0.000 1.110 1065 R CA 1.360 57.455 56.100 -0.009 0.000 0.973 1065 R CB -0.816 29.480 30.300 -0.007 0.000 0.869 1065 R HN 0.538 nan 8.270 nan 0.000 0.440 1066 L N -0.116 121.107 121.223 0.000 0.000 2.027 1066 L HA -0.035 4.305 4.340 -0.000 0.000 0.206 1066 L C 2.668 179.539 176.870 0.002 0.000 1.074 1066 L CA 1.649 56.493 54.840 0.008 0.000 0.745 1066 L CB -0.521 41.556 42.059 0.030 0.000 0.898 1066 L HN 0.206 nan 8.230 nan 0.000 0.433 1067 R N 0.206 120.706 120.500 -0.001 0.000 2.119 1067 R HA -0.271 4.069 4.340 -0.000 0.000 0.246 1067 R C 2.300 178.582 176.300 -0.030 0.000 1.146 1067 R CA 1.955 58.046 56.100 -0.014 0.000 0.962 1067 R CB -0.198 30.085 30.300 -0.028 0.000 0.863 1067 R HN 0.381 nan 8.270 nan 0.000 0.442 1068 Q N -0.130 119.648 119.800 -0.037 0.000 2.030 1068 Q HA -0.231 4.109 4.340 -0.000 0.000 0.204 1068 Q C 2.265 178.238 176.000 -0.044 0.000 0.986 1068 Q CA 2.223 57.998 55.803 -0.047 0.000 0.843 1068 Q CB 0.047 28.759 28.738 -0.044 0.000 0.904 1068 Q HN 0.541 nan 8.270 nan 0.000 0.420 1069 Q N -0.487 119.291 119.800 -0.038 0.000 2.050 1069 Q HA -0.163 4.176 4.340 -0.000 0.000 0.202 1069 Q C 2.124 178.106 176.000 -0.030 0.000 0.980 1069 Q CA 1.208 56.984 55.803 -0.044 0.000 0.840 1069 Q CB -0.258 28.454 28.738 -0.043 0.000 0.898 1069 Q HN 0.399 nan 8.270 nan 0.000 0.424 1070 A N 1.309 124.126 122.820 -0.006 0.000 1.917 1070 A HA -0.276 4.044 4.320 -0.000 0.000 0.219 1070 A C 2.118 179.707 177.584 0.008 0.000 1.182 1070 A CA 1.494 53.542 52.037 0.018 0.000 0.633 1070 A CB -0.547 18.469 19.000 0.025 0.000 0.819 1070 A HN 0.299 nan 8.150 nan 0.000 0.448 1071 Q N -0.574 119.218 119.800 -0.015 0.000 2.045 1071 Q HA -0.244 4.096 4.340 -0.000 0.000 0.206 1071 Q C 2.202 178.181 176.000 -0.035 0.000 0.991 1071 Q CA 2.105 57.895 55.803 -0.022 0.000 0.851 1071 Q CB -0.339 28.373 28.738 -0.043 0.000 0.911 1071 Q HN 0.823 nan 8.270 nan 0.000 0.418 1072 K N 0.498 120.857 120.400 -0.067 0.000 2.211 1072 K HA -0.070 4.250 4.320 -0.000 0.000 0.203 1072 K C 1.698 178.181 176.600 -0.195 0.000 1.050 1072 K CA 0.648 56.858 56.287 -0.129 0.000 0.945 1072 K CB 0.095 32.516 32.500 -0.133 0.000 0.732 1072 K HN 0.149 nan 8.250 nan 0.000 0.451 1073 L N 0.125 121.293 121.223 -0.092 0.000 2.628 1073 L HA 0.243 4.583 4.340 -0.000 0.000 0.229 1073 L C 0.583 177.525 176.870 0.119 0.000 1.137 1073 L CA 0.150 54.971 54.840 -0.032 0.000 0.909 1073 L CB 0.443 42.516 42.059 0.024 0.000 1.137 1073 L HN 0.385 nan 8.230 nan 0.000 0.470 1074 G N 1.859 110.720 108.800 0.101 0.000 2.324 1074 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.292 1074 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.292 1074 G C -0.077 174.947 174.900 0.207 0.000 1.079 1074 G CA -0.137 45.061 45.100 0.163 0.000 1.026 1074 G HN 0.336 nan 8.290 nan 0.000 0.506 1075 I N 0.635 121.286 120.570 0.136 0.000 2.388 1075 I HA 0.244 4.414 4.170 -0.000 0.000 0.281 1075 I C 1.566 177.708 176.117 0.042 0.000 1.046 1075 I CA -1.136 60.215 61.300 0.085 0.000 1.187 1075 I CB 0.971 39.012 38.000 0.068 0.000 1.351 1075 I HN 0.069 nan 8.210 nan 0.000 0.472 1076 R N 3.418 123.942 120.500 0.039 0.000 2.120 1076 R HA 0.016 4.356 4.340 -0.000 0.000 0.234 1076 R C 0.530 176.840 176.300 0.017 0.000 1.123 1076 R CA 0.970 57.090 56.100 0.034 0.000 0.975 1076 R CB -0.133 30.191 30.300 0.040 0.000 0.866 1076 R HN 0.504 nan 8.270 nan 0.000 0.446 1077 K N -0.102 120.293 120.400 -0.008 0.000 2.557 1077 K HA 0.224 4.544 4.320 -0.000 0.000 0.261 1077 K C -1.930 174.665 176.600 -0.008 0.000 0.932 1077 K CA -0.630 55.656 56.287 -0.002 0.000 0.829 1077 K CB 1.269 33.768 32.500 -0.001 0.000 1.358 1077 K HN -0.092 nan 8.250 nan 0.000 0.430 1078 L N 3.737 124.977 121.223 0.029 0.000 2.489 1078 L HA 0.390 4.730 4.340 -0.000 0.000 0.257 1078 L C -0.815 176.103 176.870 0.081 0.000 1.215 1078 L CA -0.166 54.719 54.840 0.075 0.000 0.915 1078 L CB 0.859 42.989 42.059 0.118 0.000 1.146 1078 L HN 0.617 nan 8.230 nan 0.000 0.494 1079 E N 1.615 121.835 120.200 0.034 0.000 2.392 1079 E HA 0.676 5.026 4.350 -0.000 0.000 0.256 1079 E C 0.056 176.660 176.600 0.006 0.000 1.145 1079 E CA 0.102 56.504 56.400 0.003 0.000 0.929 1079 E CB 1.359 31.032 29.700 -0.045 0.000 0.998 1079 E HN 0.729 nan 8.360 nan 0.000 0.442 1080 G N 1.890 110.681 108.800 -0.016 0.000 2.552 1080 G HA2 0.230 4.190 3.960 -0.000 0.000 0.288 1080 G HA3 0.230 4.190 3.960 -0.000 0.000 0.288 1080 G C -0.740 174.127 174.900 -0.056 0.000 1.358 1080 G CA -0.701 44.386 45.100 -0.021 0.000 1.305 1080 G HN 0.480 nan 8.290 nan 0.000 0.602 1081 N N 0.429 119.048 118.700 -0.134 0.000 2.815 1081 N HA 0.261 5.001 4.740 -0.000 0.000 0.315 1081 N C 0.943 176.383 175.510 -0.117 0.000 1.320 1081 N CA -0.490 52.494 53.050 -0.110 0.000 0.846 1081 N CB 1.347 39.759 38.487 -0.124 0.000 1.344 1081 N HN 0.588 nan 8.380 nan 0.000 0.593 1082 E N -0.368 119.775 120.200 -0.094 0.000 2.401 1082 E HA -0.122 4.228 4.350 -0.000 0.000 0.199 1082 E C 0.555 177.081 176.600 -0.124 0.000 1.023 1082 E CA 1.173 57.519 56.400 -0.090 0.000 0.859 1082 E CB -0.187 29.474 29.700 -0.065 0.000 0.780 1082 E HN 0.519 nan 8.360 nan 0.000 0.523 1083 K N 0.027 120.331 120.400 -0.160 0.000 2.374 1083 K HA 0.296 4.616 4.320 -0.000 0.000 0.202 1083 K C 0.462 176.899 176.600 -0.271 0.000 1.040 1083 K CA 0.215 56.393 56.287 -0.182 0.000 1.085 1083 K CB 1.584 33.993 32.500 -0.151 0.000 0.873 1083 K HN 0.235 nan 8.250 nan 0.000 0.539 1084 G N -0.030 108.558 108.800 -0.354 0.000 2.439 1084 G HA2 0.308 4.268 3.960 -0.000 0.000 0.186 1084 G HA3 0.308 4.268 3.960 -0.000 0.000 0.186 1084 G C -0.815 173.523 174.900 -0.938 0.000 1.260 1084 G CA -0.490 44.250 45.100 -0.599 0.000 1.020 1084 G HN 0.281 nan 8.290 nan 0.000 0.470 1085 G N -2.299 105.459 108.800 -1.737 0.000 2.490 1085 G HA2 0.664 4.624 3.960 -0.000 0.000 0.308 1085 G HA3 0.664 4.624 3.960 -0.000 0.000 0.308 1085 G C -2.079 172.128 174.900 -1.154 0.000 1.286 1085 G CA 0.484 44.684 45.100 -1.500 0.000 0.825 1085 G HN 1.641 nan 8.290 nan 0.000 0.479 1086 V N 0.674 120.291 119.914 -0.496 0.000 2.697 1086 V HA 0.423 4.543 4.120 -0.000 0.000 0.300 1086 V C -0.644 175.455 176.094 0.007 0.000 1.115 1086 V CA -0.424 61.768 62.300 -0.179 0.000 0.912 1086 V CB 1.499 33.227 31.823 -0.158 0.000 1.024 1086 V HN 0.672 nan 8.190 nan 0.000 0.431 1087 I N 3.497 124.094 120.570 0.045 0.000 2.437 1087 I HA 0.547 4.717 4.170 -0.000 0.000 0.298 1087 I C 0.034 175.958 176.117 -0.322 0.000 0.984 1087 I CA -0.443 60.787 61.300 -0.117 0.000 1.214 1087 I CB 1.846 39.755 38.000 -0.152 0.000 1.365 1087 I HN 0.605 nan 8.210 nan 0.000 0.469 1088 E N 5.928 125.924 120.200 -0.340 0.000 2.186 1088 E HA 0.374 4.724 4.350 -0.000 0.000 0.255 1088 E C -1.380 175.065 176.600 -0.259 0.000 0.881 1088 E CA -0.607 55.655 56.400 -0.230 0.000 0.752 1088 E CB 1.033 30.693 29.700 -0.067 0.000 1.176 1088 E HN 0.319 nan 8.360 nan 0.000 0.421 1089 F N 1.707 121.729 119.950 0.119 0.000 2.418 1089 F HA 0.372 4.899 4.527 -0.000 0.000 0.341 1089 F C 1.041 176.894 175.800 0.088 0.000 1.120 1089 F CA -0.500 57.568 58.000 0.114 0.000 1.232 1089 F CB 0.826 39.900 39.000 0.123 0.000 1.175 1089 F HN 0.407 nan 8.300 nan 0.000 0.569 1090 A N 1.879 124.862 122.820 0.272 0.000 2.286 1090 A HA 0.313 4.633 4.320 -0.000 0.000 0.286 1090 A C 1.378 179.062 177.584 0.167 0.000 1.097 1090 A CA -0.542 51.599 52.037 0.173 0.000 0.821 1090 A CB 0.413 19.494 19.000 0.135 0.000 1.076 1090 A HN 0.810 nan 8.150 nan 0.000 0.490 1091 E N 1.166 121.435 120.200 0.116 0.000 2.065 1091 E HA -0.190 4.160 4.350 -0.000 0.000 0.201 1091 E C 0.746 177.392 176.600 0.075 0.000 1.016 1091 E CA 2.316 58.769 56.400 0.087 0.000 0.818 1091 E CB -1.024 28.713 29.700 0.062 0.000 0.749 1091 E HN 0.704 nan 8.360 nan 0.000 0.453 1092 K N 2.097 122.543 120.400 0.077 0.000 2.257 1092 K HA 0.365 4.685 4.320 -0.000 0.000 0.270 1092 K C -0.249 176.424 176.600 0.122 0.000 1.098 1092 K CA -0.012 56.313 56.287 0.064 0.000 0.943 1092 K CB -0.784 31.750 32.500 0.056 0.000 1.316 1092 K HN 0.629 nan 8.250 nan 0.000 0.447 1093 N N -1.363 117.404 118.700 0.111 0.000 2.701 1093 N HA 0.491 5.231 4.740 -0.000 0.000 0.290 1093 N C -0.149 175.463 175.510 0.169 0.000 1.338 1093 N CA -0.837 52.352 53.050 0.233 0.000 0.799 1093 N CB 1.130 39.752 38.487 0.226 0.000 1.491 1093 N HN 0.301 nan 8.380 nan 0.000 0.540 1094 H N -1.299 117.787 119.070 0.026 0.000 2.475 1094 H HA 0.391 4.947 4.556 -0.000 0.000 0.276 1094 H C -0.620 174.691 175.328 -0.028 0.000 1.126 1094 H CA -0.567 55.475 56.048 -0.010 0.000 1.023 1094 H CB -0.084 29.667 29.762 -0.019 0.000 1.669 1094 H HN 0.205 nan 8.280 nan 0.000 0.573 1095 V N 1.781 121.727 119.914 0.053 0.000 2.521 1095 V HA -0.057 4.063 4.120 -0.000 0.000 0.286 1095 V C 0.784 176.898 176.094 0.033 0.000 1.034 1095 V CA -0.484 61.831 62.300 0.025 0.000 1.045 1095 V CB 0.364 32.090 31.823 -0.162 0.000 0.974 1095 V HN 0.487 nan 8.190 nan 0.000 0.480 1096 N N 7.374 126.134 118.700 0.099 0.000 2.399 1096 N HA 0.179 4.919 4.740 -0.000 0.000 0.259 1096 N C -1.576 174.024 175.510 0.150 0.000 1.160 1096 N CA -1.703 51.407 53.050 0.099 0.000 0.946 1096 N CB 1.316 39.849 38.487 0.077 0.000 1.156 1096 N HN 0.244 nan 8.380 nan 0.000 0.489 1097 P HA -0.227 nan 4.420 nan 0.000 0.216 1097 P C 0.877 178.197 177.300 0.033 0.000 1.157 1097 P CA 1.995 65.105 63.100 0.017 0.000 0.880 1097 P CB 0.076 31.771 31.700 -0.009 0.000 0.791 1098 A N -1.262 121.591 122.820 0.054 0.000 1.884 1098 A HA -0.245 4.075 4.320 -0.000 0.000 0.219 1098 A C 2.216 179.848 177.584 0.079 0.000 1.197 1098 A CA 2.081 54.151 52.037 0.054 0.000 0.637 1098 A CB -2.048 16.988 19.000 0.060 0.000 0.827 1098 A HN 0.283 nan 8.150 nan 0.000 0.450 1099 W N 0.415 121.681 121.300 -0.058 0.000 2.329 1099 W HA -0.179 4.481 4.660 -0.000 0.000 0.324 1099 W C 1.834 178.313 176.519 -0.067 0.000 1.222 1099 W CA 2.008 59.313 57.345 -0.067 0.000 1.270 1099 W CB -0.917 28.494 29.460 -0.081 0.000 1.167 1099 W HN 0.315 nan 8.180 nan 0.000 0.467 1100 L N 1.272 122.326 121.223 -0.282 0.000 1.997 1100 L HA -0.280 4.060 4.340 -0.000 0.000 0.216 1100 L C 2.431 179.081 176.870 -0.367 0.000 1.074 1100 L CA 2.438 56.971 54.840 -0.511 0.000 0.763 1100 L CB -1.402 40.547 42.059 -0.183 0.000 0.890 1100 L HN 0.246 nan 8.230 nan 0.000 0.434 1101 I N -0.542 119.915 120.570 -0.188 0.000 2.151 1101 I HA -0.326 3.844 4.170 -0.000 0.000 0.243 1101 I C 2.493 178.512 176.117 -0.163 0.000 1.080 1101 I CA 1.560 62.782 61.300 -0.130 0.000 1.339 1101 I CB -1.109 36.851 38.000 -0.067 0.000 1.039 1101 I HN 0.503 nan 8.210 nan 0.000 0.409 1102 G N 0.857 109.545 108.800 -0.188 0.000 2.469 1102 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.219 1102 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.219 1102 G C 1.675 176.432 174.900 -0.238 0.000 1.150 1102 G CA 0.784 45.781 45.100 -0.172 0.000 0.763 1102 G HN 0.307 nan 8.290 nan 0.000 0.561 1103 L N -0.176 120.791 121.223 -0.427 0.000 2.056 1103 L HA 0.036 4.376 4.340 -0.000 0.000 0.207 1103 L C 2.841 179.530 176.870 -0.300 0.000 1.078 1103 L CA 0.504 55.036 54.840 -0.514 0.000 0.749 1103 L CB -0.360 41.119 42.059 -0.965 0.000 0.901 1103 L HN 0.165 nan 8.230 nan 0.000 0.433 1104 L N -0.803 120.289 121.223 -0.218 0.000 2.265 1104 L HA -0.213 4.127 4.340 -0.000 0.000 0.215 1104 L C 2.550 179.393 176.870 -0.044 0.000 1.117 1104 L CA 1.015 55.813 54.840 -0.070 0.000 0.782 1104 L CB -0.371 41.659 42.059 -0.048 0.000 0.914 1104 L HN 0.408 nan 8.230 nan 0.000 0.441 1105 Q N 0.145 119.902 119.800 -0.073 0.000 2.061 1105 Q HA -0.115 4.225 4.340 -0.000 0.000 0.195 1105 Q C 2.046 178.030 176.000 -0.025 0.000 0.967 1105 Q CA 1.110 56.887 55.803 -0.042 0.000 0.829 1105 Q CB 0.119 28.829 28.738 -0.047 0.000 0.900 1105 Q HN 0.537 nan 8.270 nan 0.000 0.450 1106 K N -0.056 120.325 120.400 -0.032 0.000 2.356 1106 K HA 0.047 4.366 4.320 -0.000 0.000 0.195 1106 K C 0.544 177.164 176.600 0.033 0.000 1.037 1106 K CA 0.456 56.743 56.287 -0.001 0.000 1.014 1106 K CB 0.343 32.845 32.500 0.003 0.000 0.815 1106 K HN 0.050 nan 8.250 nan 0.000 0.507 1107 Q N 0.748 120.583 119.800 0.058 0.000 2.628 1107 Q HA 0.188 4.528 4.340 -0.000 0.000 0.397 1107 Q C -2.243 173.859 176.000 0.170 0.000 0.916 1107 Q CA -1.728 54.168 55.803 0.155 0.000 1.071 1107 Q CB 1.483 30.446 28.738 0.375 0.000 1.367 1107 Q HN 0.046 nan 8.270 nan 0.000 0.404 1108 P HA -0.225 nan 4.420 nan 0.000 0.220 1108 P C 0.405 177.717 177.300 0.020 0.000 1.144 1108 P CA 1.303 64.433 63.100 0.051 0.000 0.800 1108 P CB 0.291 31.997 31.700 0.010 0.000 0.772 1109 Q N -2.620 117.130 119.800 -0.083 0.000 2.320 1109 Q HA 0.037 4.377 4.340 -0.000 0.000 0.201 1109 Q C 0.900 176.767 176.000 -0.222 0.000 0.910 1109 Q CA 0.883 56.575 55.803 -0.185 0.000 0.946 1109 Q CB -0.607 27.959 28.738 -0.287 0.000 1.062 1109 Q HN 0.405 nan 8.270 nan 0.000 0.503 1110 H N -1.562 117.549 119.070 0.068 0.000 3.440 1110 H HA 0.289 4.845 4.556 -0.000 0.000 0.259 1110 H C -0.648 174.452 175.328 -0.380 0.000 1.120 1110 H CA -0.004 55.969 56.048 -0.124 0.000 1.191 1110 H CB 0.723 30.455 29.762 -0.050 0.000 1.537 1110 H HN 0.128 nan 8.280 nan 0.000 0.547 1111 Y N 0.455 120.847 120.300 0.154 0.000 2.492 1111 Y HA 0.618 5.168 4.550 -0.000 0.000 0.346 1111 Y C 0.014 175.956 175.900 0.070 0.000 0.997 1111 Y CA -0.985 57.190 58.100 0.124 0.000 1.025 1111 Y CB 1.977 40.510 38.460 0.121 0.000 1.263 1111 Y HN -0.250 nan 8.280 nan 0.000 0.454 1112 R N 2.304 122.920 120.500 0.193 0.000 2.643 1112 R HA 0.618 4.958 4.340 -0.000 0.000 0.269 1112 R C -1.639 174.738 176.300 0.127 0.000 1.037 1112 R CA -1.059 55.113 56.100 0.120 0.000 0.894 1112 R CB 2.381 32.715 30.300 0.057 0.000 1.238 1112 R HN 0.510 nan 8.270 nan 0.000 0.459 1113 L N 0.374 121.661 121.223 0.107 0.000 2.488 1113 L HA 0.446 4.786 4.340 -0.000 0.000 0.249 1113 L C 0.055 176.976 176.870 0.085 0.000 1.151 1113 L CA -0.011 54.899 54.840 0.118 0.000 0.806 1113 L CB 0.499 42.617 42.059 0.099 0.000 1.261 1113 L HN 0.660 nan 8.230 nan 0.000 0.484 1114 D N -0.095 120.358 120.400 0.089 0.000 2.826 1114 D HA 0.468 5.108 4.640 -0.000 0.000 0.239 1114 D C -0.456 175.883 176.300 0.065 0.000 1.329 1114 D CA 0.654 54.690 54.000 0.059 0.000 0.854 1114 D CB 0.200 41.025 40.800 0.042 0.000 1.494 1114 D HN 0.905 nan 8.370 nan 0.000 0.540 1115 G N 2.842 111.678 108.800 0.060 0.000 2.699 1115 G HA2 -0.145 3.815 3.960 -0.000 0.000 0.686 1115 G HA3 -0.145 3.815 3.960 -0.000 0.000 0.686 1115 G C -1.717 173.232 174.900 0.080 0.000 1.301 1115 G CA -0.447 44.688 45.100 0.059 0.000 0.816 1115 G HN 0.239 nan 8.290 nan 0.000 0.595 1116 P HA 0.027 nan 4.420 nan 0.000 0.236 1116 P C 1.010 178.383 177.300 0.122 0.000 1.172 1116 P CA 1.906 65.054 63.100 0.080 0.000 0.759 1116 P CB 0.381 32.116 31.700 0.059 0.000 0.843 1117 T N -1.760 112.882 114.554 0.146 0.000 2.975 1117 T HA 0.198 4.547 4.350 -0.000 0.000 0.261 1117 T C 0.532 175.397 174.700 0.275 0.000 0.984 1117 T CA -0.167 62.057 62.100 0.207 0.000 0.911 1117 T CB 0.266 69.217 68.868 0.138 0.000 1.127 1117 T HN 0.125 nan 8.240 nan 0.000 0.514 1118 R N 1.074 121.704 120.500 0.217 0.000 2.621 1118 R HA 0.691 5.031 4.340 -0.000 0.000 0.292 1118 R C -1.540 174.906 176.300 0.245 0.000 0.969 1118 R CA -0.928 55.277 56.100 0.175 0.000 0.887 1118 R CB 2.095 32.435 30.300 0.067 0.000 1.180 1118 R HN 0.110 nan 8.270 nan 0.000 0.450 1119 L N 1.019 122.423 121.223 0.301 0.000 2.334 1119 L HA 0.589 4.929 4.340 -0.000 0.000 0.272 1119 L C -0.926 176.071 176.870 0.212 0.000 1.020 1119 L CA -0.357 54.692 54.840 0.348 0.000 0.812 1119 L CB 1.549 43.961 42.059 0.589 0.000 1.264 1119 L HN 0.623 nan 8.230 nan 0.000 0.439 1120 K N 3.377 123.879 120.400 0.170 0.000 2.443 1120 K HA 0.518 4.838 4.320 -0.000 0.000 0.252 1120 K C -1.658 174.949 176.600 0.012 0.000 0.933 1120 K CA -0.614 55.685 56.287 0.020 0.000 0.792 1120 K CB 1.214 33.688 32.500 -0.044 0.000 1.185 1120 K HN 0.596 nan 8.250 nan 0.000 0.425 1121 F N 2.167 121.968 119.950 -0.248 0.000 2.470 1121 F HA 0.685 5.212 4.527 -0.000 0.000 0.329 1121 F C -0.664 174.876 175.800 -0.434 0.000 1.072 1121 F CA -1.300 56.409 58.000 -0.485 0.000 0.989 1121 F CB 0.788 39.372 39.000 -0.694 0.000 1.193 1121 F HN 0.123 nan 8.300 nan 0.000 0.481 1122 I N 2.987 123.395 120.570 -0.270 0.000 2.448 1122 I HA 0.354 4.524 4.170 -0.000 0.000 0.281 1122 I C -0.794 175.202 176.117 -0.202 0.000 1.027 1122 I CA -0.258 60.912 61.300 -0.216 0.000 1.111 1122 I CB 1.384 39.333 38.000 -0.084 0.000 1.236 1122 I HN 0.583 nan 8.210 nan 0.000 0.452 1123 Q N 2.713 122.310 119.800 -0.338 0.000 2.501 1123 Q HA 0.308 4.648 4.340 -0.000 0.000 0.288 1123 Q C -1.194 174.633 176.000 -0.288 0.000 1.051 1123 Q CA -0.905 54.652 55.803 -0.410 0.000 0.788 1123 Q CB 2.723 30.979 28.738 -0.804 0.000 1.469 1123 Q HN 0.411 nan 8.270 nan 0.000 0.416 1124 D N 1.669 121.942 120.400 -0.211 0.000 2.517 1124 D HA 0.209 4.849 4.640 -0.000 0.000 0.220 1124 D C -0.237 175.982 176.300 -0.134 0.000 1.158 1124 D CA 0.078 53.998 54.000 -0.134 0.000 0.992 1124 D CB -0.306 40.451 40.800 -0.071 0.000 1.058 1124 D HN 0.320 nan 8.370 nan 0.000 0.516 1125 L N 2.400 123.531 121.223 -0.154 0.000 3.036 1125 L HA 0.143 4.483 4.340 -0.000 0.000 0.237 1125 L C 1.776 178.609 176.870 -0.061 0.000 1.319 1125 L CA -0.301 54.475 54.840 -0.107 0.000 1.112 1125 L CB -0.205 41.779 42.059 -0.125 0.000 1.480 1125 L HN 0.246 nan 8.230 nan 0.000 0.506 1126 S N -1.639 114.030 115.700 -0.052 0.000 2.406 1126 S HA -0.046 4.424 4.470 -0.000 0.000 0.228 1126 S C 0.759 175.347 174.600 -0.019 0.000 1.020 1126 S CA 0.384 58.562 58.200 -0.036 0.000 0.965 1126 S CB -0.111 63.069 63.200 -0.033 0.000 0.798 1126 S HN 0.511 nan 8.310 nan 0.000 0.488 1127 E N 1.694 121.889 120.200 -0.009 0.000 2.194 1127 E HA 0.227 4.577 4.350 -0.000 0.000 0.284 1127 E C 0.825 177.432 176.600 0.011 0.000 1.035 1127 E CA -0.467 55.935 56.400 0.002 0.000 0.836 1127 E CB 0.926 30.631 29.700 0.008 0.000 1.070 1127 E HN 0.253 nan 8.360 nan 0.000 0.401 1128 R N 3.766 124.271 120.500 0.010 0.000 2.162 1128 R HA -0.290 4.050 4.340 -0.000 0.000 0.245 1128 R C 1.456 177.774 176.300 0.028 0.000 1.129 1128 R CA 2.081 58.190 56.100 0.016 0.000 0.940 1128 R CB 0.032 30.338 30.300 0.010 0.000 0.875 1128 R HN 0.435 nan 8.270 nan 0.000 0.437 1129 K N -0.916 119.499 120.400 0.026 0.000 2.002 1129 K HA -0.107 4.212 4.320 -0.000 0.000 0.209 1129 K C 2.172 178.805 176.600 0.055 0.000 1.048 1129 K CA 2.160 58.468 56.287 0.034 0.000 0.930 1129 K CB -0.275 32.239 32.500 0.024 0.000 0.714 1129 K HN 0.303 nan 8.250 nan 0.000 0.438 1130 T N 0.943 115.531 114.554 0.056 0.000 2.699 1130 T HA -0.224 4.126 4.350 -0.000 0.000 0.268 1130 T C 1.833 176.611 174.700 0.130 0.000 1.036 1130 T CA 1.784 63.934 62.100 0.084 0.000 1.147 1130 T CB -0.229 68.676 68.868 0.061 0.000 0.862 1130 T HN 0.333 nan 8.240 nan 0.000 0.446 1131 R N 0.678 121.236 120.500 0.096 0.000 2.080 1131 R HA -0.018 4.322 4.340 -0.000 0.000 0.236 1131 R C 2.502 178.920 176.300 0.198 0.000 1.137 1131 R CA 1.621 57.796 56.100 0.124 0.000 0.943 1131 R CB -0.614 29.723 30.300 0.063 0.000 0.846 1131 R HN 0.443 nan 8.270 nan 0.000 0.431 1132 I N 0.738 121.389 120.570 0.135 0.000 2.179 1132 I HA -0.250 3.920 4.170 -0.000 0.000 0.242 1132 I C 2.033 178.230 176.117 0.133 0.000 1.088 1132 I CA 1.864 63.239 61.300 0.125 0.000 1.357 1132 I CB -0.151 37.894 38.000 0.075 0.000 1.051 1132 I HN 0.335 nan 8.210 nan 0.000 0.409 1133 E N 0.343 120.616 120.200 0.121 0.000 2.153 1133 E HA -0.296 4.054 4.350 -0.000 0.000 0.194 1133 E C 1.662 178.329 176.600 0.113 0.000 0.988 1133 E CA 1.559 58.015 56.400 0.093 0.000 0.811 1133 E CB -0.483 29.266 29.700 0.081 0.000 0.746 1133 E HN 0.637 nan 8.360 nan 0.000 0.466 1134 W N -0.171 121.138 121.300 0.014 0.000 2.381 1134 W HA -0.193 4.467 4.660 -0.000 0.000 0.321 1134 W C 2.109 178.636 176.519 0.012 0.000 1.196 1134 W CA 2.113 59.461 57.345 0.005 0.000 1.304 1134 W CB -0.665 28.784 29.460 -0.017 0.000 1.166 1134 W HN -0.083 nan 8.180 nan 0.000 0.473 1135 V N 2.158 122.290 119.914 0.363 0.000 2.277 1135 V HA -0.434 3.686 4.120 -0.000 0.000 0.253 1135 V C 2.626 178.737 176.094 0.028 0.000 1.067 1135 V CA 2.400 64.826 62.300 0.210 0.000 1.047 1135 V CB -1.183 30.793 31.823 0.254 0.000 0.649 1135 V HN 0.225 nan 8.190 nan 0.000 0.447 1136 R N -0.399 120.114 120.500 0.022 0.000 2.094 1136 R HA -0.194 4.145 4.340 -0.000 0.000 0.239 1136 R C 2.330 178.572 176.300 -0.097 0.000 1.137 1136 R CA 1.646 57.732 56.100 -0.023 0.000 0.943 1136 R CB -0.763 29.530 30.300 -0.011 0.000 0.850 1136 R HN 0.516 nan 8.270 nan 0.000 0.433 1137 Q N -0.142 119.563 119.800 -0.158 0.000 2.135 1137 Q HA -0.133 4.207 4.340 -0.000 0.000 0.204 1137 Q C 1.899 177.725 176.000 -0.291 0.000 0.981 1137 Q CA 1.182 56.849 55.803 -0.226 0.000 0.856 1137 Q CB -0.380 28.196 28.738 -0.270 0.000 0.902 1137 Q HN 0.261 nan 8.270 nan 0.000 0.425 1138 F N 0.318 119.911 119.950 -0.595 0.000 2.186 1138 F HA -0.132 4.395 4.527 -0.000 0.000 0.299 1138 F C 2.072 177.743 175.800 -0.215 0.000 1.090 1138 F CA 1.045 58.722 58.000 -0.538 0.000 1.307 1138 F CB -0.061 38.423 39.000 -0.859 0.000 1.019 1138 F HN 0.014 nan 8.300 nan 0.000 0.489 1139 M N -0.204 119.290 119.600 -0.177 0.000 2.229 1139 M HA -0.144 4.336 4.480 -0.000 0.000 0.264 1139 M C 2.355 178.503 176.300 -0.253 0.000 1.063 1139 M CA 1.206 56.395 55.300 -0.186 0.000 1.114 1139 M CB -0.917 31.649 32.600 -0.056 0.000 1.387 1139 M HN 0.211 nan 8.290 nan 0.000 0.420 1140 R N 0.491 120.853 120.500 -0.229 0.000 2.070 1140 R HA -0.212 4.128 4.340 -0.000 0.000 0.233 1140 R C 1.960 178.079 176.300 -0.301 0.000 1.137 1140 R CA 1.975 57.945 56.100 -0.217 0.000 0.945 1140 R CB -0.188 30.011 30.300 -0.168 0.000 0.845 1140 R HN 0.110 nan 8.270 nan 0.000 0.430 1141 E N 0.693 120.688 120.200 -0.342 0.000 2.118 1141 E HA -0.185 4.165 4.350 -0.000 0.000 0.195 1141 E C 1.925 178.047 176.600 -0.796 0.000 0.992 1141 E CA 1.157 57.309 56.400 -0.413 0.000 0.804 1141 E CB -0.237 29.332 29.700 -0.219 0.000 0.741 1141 E HN 0.419 nan 8.360 nan 0.000 0.458 1142 L N 0.103 120.821 121.223 -0.843 0.000 2.156 1142 L HA -0.078 4.262 4.340 -0.000 0.000 0.208 1142 L C 2.320 178.791 176.870 -0.665 0.000 1.095 1142 L CA 1.488 55.701 54.840 -1.044 0.000 0.770 1142 L CB -0.119 41.584 42.059 -0.594 0.000 0.914 1142 L HN 0.192 nan 8.230 nan 0.000 0.439 1143 E N -0.365 119.569 120.200 -0.443 0.000 2.122 1143 E HA -0.196 4.154 4.350 -0.000 0.000 0.190 1143 E C 1.827 178.246 176.600 -0.302 0.000 0.977 1143 E CA 0.804 57.026 56.400 -0.297 0.000 0.820 1143 E CB 0.073 29.646 29.700 -0.211 0.000 0.770 1143 E HN 0.571 nan 8.360 nan 0.000 0.462 1144 E N 0.250 120.245 120.200 -0.341 0.000 2.204 1144 E HA -0.113 4.237 4.350 -0.000 0.000 0.194 1144 E C 1.416 177.822 176.600 -0.324 0.000 0.989 1144 E CA 0.547 56.776 56.400 -0.285 0.000 0.824 1144 E CB 0.021 29.566 29.700 -0.258 0.000 0.756 1144 E HN 0.245 nan 8.360 nan 0.000 0.477 1145 N N 0.427 118.824 118.700 -0.504 0.000 2.299 1145 N HA 0.097 4.837 4.740 -0.000 0.000 0.187 1145 N C 0.296 175.606 175.510 -0.333 0.000 1.099 1145 N CA 0.072 52.824 53.050 -0.496 0.000 0.867 1145 N CB 0.475 38.393 38.487 -0.948 0.000 0.974 1145 N HN 0.006 nan 8.380 nan 0.000 0.477 1146 A N 1.226 123.873 122.820 -0.288 0.000 2.567 1146 A HA 0.224 4.544 4.320 -0.000 0.000 0.236 1146 A C 0.625 178.173 177.584 -0.059 0.000 1.088 1146 A CA 0.440 52.397 52.037 -0.134 0.000 0.776 1146 A CB 0.196 19.140 19.000 -0.093 0.000 1.033 1146 A HN 0.149 nan 8.150 nan 0.000 0.513 1147 I N 0.000 120.578 120.570 0.013 0.000 2.984 1147 I HA 0.000 4.170 4.170 -0.000 0.000 0.288 1147 I CA 0.000 61.303 61.300 0.004 0.000 1.566 1147 I CB 0.000 37.982 38.000 -0.030 0.000 1.214 1147 I HN 0.000 nan 8.210 nan 0.000 0.494