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 1ofe_1_B DATA FIRST_RESID 1 DATA SEQUENCE CGVGFIANLR GKPDHTLVEQ ALKALGCMEH RGGCSADNDS GDGAGVMTAI DATA SEQUENCE PRELLAQWFN TRNLPMPDGD RLGVGMVFLP QEPSAREVAR AYVEEVVRLE DATA SEQUENCE KLTVLGWREV PVNSDVLGIQ AKNNQPHIEQ ILVTCPEGCA GDELDRRLYI DATA SEQUENCE ARSIIGKKLA EDFYVCSFSC RTIVYKGMVR SIILGEFYLD LKNPGYTSNF DATA SEQUENCE AVYHRRFSTN TMPKWPLAQP MRLLGHNGEI NTLLGNINWM AAREKELEVS DATA SEQUENCE GWTKAELEAL TPIVNQANSD SYNLDSALEL LVRTGRSPLE AAMILVPEAY DATA SEQUENCE KNQPALKDYP EISDFHDYYS GLQEPWDGPA LLVFSDGKIV GAGLDRNGLR DATA SEQUENCE PARYCITKDD YIVLGSEAGV VDLPEVDIVE KGRLAPGQMI AVDLAEQKIL DATA SEQUENCE KNYQIKQQAA QKYPYGEWIK IQRQTVASDS FAEKTLFNDA QTVLQQQAAF DATA SEQUENCE GYTAEDVEMV VVPMASQGKE PTFCMGDDTP LAVLSHKPRL LYDYFKQRFA DATA SEQUENCE QVTNPPIDPL RENLVMSLAM FLGKRGNLLE PKAESARTIK LRSPLVNEVE DATA SEQUENCE LQAIKTGQLQ VAEVSTLYDX XXXNSLEDAL TNLVKTAIAT VQAGAEILVL DATA SEQUENCE TDRPNGAILT ENQSFIPPLL AVGAVHHHLI RAGLRLKASL IVDTAQCWST DATA SEQUENCE HHFACLVGYG ASAICPYLAL ESVRQWWLDE KTQKLMENGR LXXIDLPTAL DATA SEQUENCE KNYRQSVEAG LFKILSKMGI SLLASYHGAQ IFEAIGLGAE LVEYAFAGTT DATA SEQUENCE SRVGGLTIAD VAGEVMVFHG MAFXXXXKKL ENFGFVNYRP GGEYHMNSPE DATA SEQUENCE MSKSLHKAVA AYXXXXXXXX XXXXDHYELY RQYLKDRPVT ALRDLLDFNA DATA SEQUENCE DQPAISLEEV ESVESIVKRF CTGGMSLGAL SREAHETLAI AMNRLGAKSN DATA SEQUENCE SGEGGEDVVR YLTLDDVDSE GNSPTLPHLH GLQNGDTANS AIKQIASGRF DATA SEQUENCE GVTPEYLMSG KQLEIKMAQG AKPGEGGQLP GKKVSEYIAM LRRSKPGVTL DATA SEQUENCE ISPPPHHDIY SIEDLAQLIY DLHQINPEAQ VSVKLVAEIG IGTIAAGVAK DATA SEQUENCE ANADIIQISG HDGGTGASPL SSIKHAGSPW ELGVTEVHRV LMENQLRDRV DATA SEQUENCE LLRADGGLKT GWDVVMAALM GAEEYGFGSI AMIAEGCIMA RVCHTNNCPV DATA SEQUENCE GVATQQERLR QRFKGVPGQV VNFFYFIAEE VRSLLAHLGY RSLDDIIGRT DATA SEQUENCE DLLKVRSDVQ LSKTQNLTLD CLLNLPDTKQ NRQWLNHEPV HSNGPVLDDD DATA SEQUENCE ILADPDIQEA INHQTTATKT YRLVNTDRTV GTRLSGAIAK KYGNNGFEGN DATA SEQUENCE ITLNFQGAAG QSFGAFNLDG MTLHLQGEAN DYVGKGMNGG EIVIVPHPQA DATA SEQUENCE SFAPEDNVII GNTCLYGATG GNLYANGRAG ERFAVRNSVG KAVIEGAGDH DATA SEQUENCE CCEYMTGGVI VVLGPVGRNV GAGMTGGLAY FLDEVGDLPE KINPEIITLQ DATA SEQUENCE RITASKGEEQ LKSLITAHVE HTGSPKGKAI LANWSDYLGK FWQAVPPSEK DATA SEQUENCE DSPEANN VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 C HA 0.000 nan 4.460 nan 0.000 0.325 1 C C 0.000 174.891 174.990 -0.165 0.000 1.270 1 C CA 0.000 58.965 59.018 -0.088 0.000 1.963 1 C CB 0.000 27.673 27.740 -0.112 0.000 2.134 2 G N 0.452 109.095 108.800 -0.262 0.000 2.643 2 G HA2 0.749 4.709 3.960 -0.000 0.000 0.305 2 G HA3 0.749 4.709 3.960 -0.000 0.000 0.305 2 G C -1.751 173.017 174.900 -0.219 0.000 1.387 2 G CA -0.353 44.646 45.100 -0.167 0.000 0.982 2 G HN 1.128 nan 8.290 nan 0.000 0.501 3 V N 1.054 120.875 119.914 -0.154 0.000 3.012 3 V HA 1.016 5.136 4.120 -0.000 0.000 0.307 3 V C 0.087 175.939 176.094 -0.403 0.000 1.166 3 V CA 0.610 62.767 62.300 -0.239 0.000 0.974 3 V CB 2.141 33.908 31.823 -0.094 0.000 1.040 3 V HN 1.746 nan 8.190 nan 0.000 0.428 4 G N 3.431 111.716 108.800 -0.858 0.000 2.430 4 G HA2 0.675 4.635 3.960 -0.000 0.000 0.300 4 G HA3 0.675 4.635 3.960 -0.000 0.000 0.300 4 G C -1.732 172.751 174.900 -0.694 0.000 1.330 4 G CA 0.029 44.639 45.100 -0.817 0.000 0.813 4 G HN 1.753 nan 8.290 nan 0.000 0.487 5 F N -1.254 118.509 119.950 -0.311 0.000 2.645 5 F HA 0.885 5.412 4.527 -0.000 0.000 0.310 5 F C -1.374 174.477 175.800 0.085 0.000 1.102 5 F CA -1.646 56.319 58.000 -0.059 0.000 0.952 5 F CB 1.321 40.280 39.000 -0.069 0.000 1.326 5 F HN 0.498 nan 8.300 nan 0.000 0.456 6 I N 2.182 122.991 120.570 0.399 0.000 2.608 6 I HA 0.810 4.979 4.170 -0.000 0.000 0.295 6 I C -0.813 175.453 176.117 0.249 0.000 1.049 6 I CA -1.253 60.177 61.300 0.216 0.000 1.063 6 I CB 2.144 40.238 38.000 0.157 0.000 1.248 6 I HN 0.993 nan 8.210 nan 0.000 0.424 7 A N 3.708 126.542 122.820 0.025 0.000 2.381 7 A HA 0.585 4.905 4.320 -0.000 0.000 0.299 7 A C -1.192 176.163 177.584 -0.383 0.000 1.049 7 A CA -0.560 51.455 52.037 -0.037 0.000 0.715 7 A CB 1.268 20.317 19.000 0.081 0.000 1.222 7 A HN 0.647 nan 8.150 nan 0.000 0.428 8 N N 3.194 121.743 118.700 -0.252 0.000 2.589 8 N HA 0.344 5.084 4.740 -0.000 0.000 0.232 8 N C 0.538 176.045 175.510 -0.006 0.000 1.015 8 N CA -0.555 52.387 53.050 -0.180 0.000 0.931 8 N CB 0.271 38.776 38.487 0.030 0.000 1.150 8 N HN 0.587 nan 8.380 nan 0.000 0.512 9 L N 2.089 123.316 121.223 0.006 0.000 2.131 9 L HA 0.094 4.434 4.340 -0.000 0.000 0.206 9 L C 1.782 178.681 176.870 0.049 0.000 1.087 9 L CA 0.735 55.590 54.840 0.024 0.000 0.767 9 L CB -0.048 42.022 42.059 0.018 0.000 0.917 9 L HN 0.465 nan 8.230 nan 0.000 0.441 10 R N -0.120 120.428 120.500 0.079 0.000 2.237 10 R HA 0.160 4.500 4.340 -0.000 0.000 0.195 10 R C 1.022 177.370 176.300 0.079 0.000 0.956 10 R CA 0.262 56.407 56.100 0.075 0.000 1.029 10 R CB 0.267 30.615 30.300 0.081 0.000 0.972 10 R HN 0.238 nan 8.270 nan 0.000 0.493 11 G N 1.004 109.866 108.800 0.104 0.000 2.547 11 G HA2 0.205 4.165 3.960 -0.000 0.000 0.291 11 G HA3 0.205 4.165 3.960 -0.000 0.000 0.291 11 G C -0.667 174.281 174.900 0.080 0.000 1.211 11 G CA -0.573 44.585 45.100 0.097 0.000 0.950 11 G HN -0.013 nan 8.290 nan 0.000 0.504 12 K N 1.089 121.531 120.400 0.071 0.000 2.518 12 K HA 0.064 4.384 4.320 -0.000 0.000 0.276 12 K C -1.928 174.718 176.600 0.077 0.000 0.974 12 K CA -0.545 55.779 56.287 0.063 0.000 0.986 12 K CB 0.395 32.930 32.500 0.058 0.000 0.901 12 K HN 0.242 nan 8.250 nan 0.000 0.497 13 P HA -0.050 nan 4.420 nan 0.000 0.264 13 P C -1.267 176.086 177.300 0.089 0.000 1.193 13 P CA 0.180 63.327 63.100 0.078 0.000 0.763 13 P CB 0.605 32.340 31.700 0.058 0.000 0.810 14 D N 0.095 120.562 120.400 0.112 0.000 2.531 14 D HA 0.111 4.751 4.640 -0.000 0.000 0.244 14 D C 0.671 177.075 176.300 0.173 0.000 1.090 14 D CA -0.674 53.406 54.000 0.133 0.000 0.989 14 D CB 0.481 41.356 40.800 0.125 0.000 1.433 14 D HN 0.415 nan 8.370 nan 0.000 0.492 15 H N -0.409 118.711 119.070 0.082 0.000 2.470 15 H HA -0.031 4.525 4.556 -0.000 0.000 0.289 15 H C 0.837 176.204 175.328 0.065 0.000 1.033 15 H CA 1.377 57.474 56.048 0.082 0.000 1.331 15 H CB 0.474 30.277 29.762 0.069 0.000 1.414 15 H HN 0.434 nan 8.280 nan 0.000 0.545 16 T N 2.688 117.278 114.554 0.060 0.000 2.665 16 T HA -0.179 4.171 4.350 -0.000 0.000 0.268 16 T C 2.153 176.846 174.700 -0.013 0.000 1.035 16 T CA 1.175 63.282 62.100 0.012 0.000 1.151 16 T CB -0.471 68.430 68.868 0.056 0.000 0.862 16 T HN 0.209 nan 8.240 nan 0.000 0.438 17 L N 1.724 122.981 121.223 0.056 0.000 2.043 17 L HA -0.090 4.250 4.340 -0.000 0.000 0.212 17 L C 2.394 179.247 176.870 -0.029 0.000 1.075 17 L CA 1.762 56.652 54.840 0.084 0.000 0.752 17 L CB -1.326 40.802 42.059 0.115 0.000 0.891 17 L HN 0.180 nan 8.230 nan 0.000 0.432 18 V N 0.298 120.129 119.914 -0.139 0.000 2.358 18 V HA -0.245 3.875 4.120 -0.000 0.000 0.246 18 V C 2.560 178.489 176.094 -0.276 0.000 1.047 18 V CA 1.766 63.921 62.300 -0.242 0.000 1.035 18 V CB -0.573 31.047 31.823 -0.338 0.000 0.658 18 V HN 0.452 nan 8.190 nan 0.000 0.452 19 E N -0.174 119.823 120.200 -0.339 0.000 2.110 19 E HA -0.264 4.086 4.350 -0.000 0.000 0.193 19 E C 2.345 178.869 176.600 -0.126 0.000 0.988 19 E CA 1.309 57.578 56.400 -0.219 0.000 0.804 19 E CB -0.163 29.437 29.700 -0.168 0.000 0.745 19 E HN 0.663 nan 8.360 nan 0.000 0.458 20 Q N 0.137 119.885 119.800 -0.087 0.000 2.079 20 Q HA -0.126 4.214 4.340 -0.000 0.000 0.200 20 Q C 2.279 178.223 176.000 -0.094 0.000 0.974 20 Q CA 1.237 57.011 55.803 -0.047 0.000 0.840 20 Q CB -0.144 28.615 28.738 0.034 0.000 0.898 20 Q HN 0.241 nan 8.270 nan 0.000 0.430 21 A N 0.811 123.574 122.820 -0.095 0.000 1.933 21 A HA -0.147 4.173 4.320 -0.000 0.000 0.218 21 A C 2.033 179.461 177.584 -0.260 0.000 1.175 21 A CA 1.054 52.996 52.037 -0.158 0.000 0.628 21 A CB -0.564 18.425 19.000 -0.018 0.000 0.814 21 A HN 0.273 nan 8.150 nan 0.000 0.444 22 L N -0.999 120.120 121.223 -0.172 0.000 2.109 22 L HA -0.134 4.206 4.340 -0.000 0.000 0.207 22 L C 2.589 179.374 176.870 -0.142 0.000 1.086 22 L CA 1.753 56.509 54.840 -0.139 0.000 0.760 22 L CB -0.418 41.581 42.059 -0.100 0.000 0.910 22 L HN 0.434 nan 8.230 nan 0.000 0.437 23 K N 0.532 120.853 120.400 -0.132 0.000 2.097 23 K HA -0.161 4.159 4.320 -0.000 0.000 0.206 23 K C 2.146 178.657 176.600 -0.149 0.000 1.049 23 K CA 1.280 57.504 56.287 -0.106 0.000 0.933 23 K CB -0.045 32.411 32.500 -0.074 0.000 0.717 23 K HN 0.251 nan 8.250 nan 0.000 0.442 24 A N 1.269 123.936 122.820 -0.255 0.000 1.873 24 A HA -0.125 4.195 4.320 -0.000 0.000 0.215 24 A C 2.100 179.439 177.584 -0.409 0.000 1.186 24 A CA 1.208 53.030 52.037 -0.358 0.000 0.616 24 A CB -0.695 17.966 19.000 -0.565 0.000 0.823 24 A HN 0.334 nan 8.150 nan 0.000 0.442 25 L N -0.557 120.353 121.223 -0.521 0.000 2.021 25 L HA -0.255 4.085 4.340 -0.000 0.000 0.215 25 L C 2.814 179.620 176.870 -0.106 0.000 1.074 25 L CA 1.434 56.130 54.840 -0.241 0.000 0.760 25 L CB -0.848 41.128 42.059 -0.139 0.000 0.889 25 L HN 0.528 nan 8.230 nan 0.000 0.433 26 G N -1.151 107.591 108.800 -0.096 0.000 2.469 26 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.219 26 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.219 26 G C 1.498 176.396 174.900 -0.003 0.000 1.150 26 G CA 1.044 46.121 45.100 -0.038 0.000 0.763 26 G HN 0.489 nan 8.290 nan 0.000 0.561 27 C N 0.814 120.107 119.300 -0.012 0.000 2.437 27 C HA 0.156 4.616 4.460 -0.000 0.000 0.283 27 C C 2.565 177.628 174.990 0.121 0.000 1.424 27 C CA 0.422 59.470 59.018 0.049 0.000 1.782 27 C CB -0.579 27.177 27.740 0.026 0.000 1.833 27 C HN 0.375 nan 8.230 nan 0.000 0.532 28 M N 0.349 119.970 119.600 0.034 0.000 2.502 28 M HA 0.056 4.536 4.480 -0.000 0.000 0.243 28 M C 1.852 178.086 176.300 -0.111 0.000 1.130 28 M CA 0.644 55.916 55.300 -0.047 0.000 1.055 28 M CB -1.124 31.466 32.600 -0.017 0.000 1.457 28 M HN 0.335 nan 8.290 nan 0.000 0.488 29 E N 1.665 121.866 120.200 0.002 0.000 2.086 29 E HA -0.255 4.095 4.350 -0.000 0.000 0.205 29 E C 1.914 178.506 176.600 -0.014 0.000 1.027 29 E CA 2.147 58.548 56.400 0.002 0.000 0.830 29 E CB -0.459 29.263 29.700 0.036 0.000 0.751 29 E HN 0.632 nan 8.360 nan 0.000 0.456 30 H N -0.085 118.986 119.070 0.001 0.000 2.518 30 H HA -0.079 4.477 4.556 -0.000 0.000 0.294 30 H C 1.447 176.806 175.328 0.051 0.000 1.083 30 H CA 1.522 57.575 56.048 0.007 0.000 1.264 30 H CB -0.255 29.483 29.762 -0.040 0.000 1.370 30 H HN 0.212 nan 8.280 nan 0.000 0.560 31 R N 0.711 120.934 120.500 -0.461 0.000 2.280 31 R HA 0.169 4.509 4.340 -0.000 0.000 0.195 31 R C 1.116 177.454 176.300 0.063 0.000 0.935 31 R CA 0.403 56.377 56.100 -0.210 0.000 1.033 31 R CB 0.564 30.684 30.300 -0.301 0.000 0.964 31 R HN 0.292 nan 8.270 nan 0.000 0.489 32 G N -0.251 108.543 108.800 -0.009 0.000 2.511 32 G HA2 0.527 4.487 3.960 -0.000 0.000 0.316 32 G HA3 0.527 4.487 3.960 -0.000 0.000 0.316 32 G C -0.483 174.251 174.900 -0.278 0.000 1.210 32 G CA -0.344 44.733 45.100 -0.037 0.000 0.969 32 G HN 0.179 nan 8.290 nan 0.000 0.492 33 G N -2.118 106.374 108.800 -0.514 0.000 2.685 33 G HA2 0.526 4.486 3.960 -0.000 0.000 0.298 33 G HA3 0.526 4.486 3.960 -0.000 0.000 0.298 33 G C -1.259 173.403 174.900 -0.397 0.000 1.277 33 G CA -0.461 44.160 45.100 -0.799 0.000 0.986 33 G HN 0.843 nan 8.290 nan 0.000 0.487 34 C N -0.873 118.226 119.300 -0.335 0.000 2.889 34 C HA 0.760 5.220 4.460 -0.000 0.000 0.307 34 C C 0.881 175.778 174.990 -0.156 0.000 1.251 34 C CA -0.528 58.370 59.018 -0.199 0.000 1.593 34 C CB 1.491 29.142 27.740 -0.148 0.000 2.104 34 C HN 0.830 nan 8.230 nan 0.000 0.476 35 S N 0.987 116.619 115.700 -0.113 0.000 2.632 35 S HA 0.317 4.787 4.470 -0.000 0.000 0.254 35 S C 1.368 175.932 174.600 -0.060 0.000 1.291 35 S CA 0.164 58.317 58.200 -0.077 0.000 0.974 35 S CB 0.124 63.287 63.200 -0.062 0.000 1.016 35 S HN 0.982 nan 8.310 nan 0.000 0.579 36 A N 1.171 123.968 122.820 -0.038 0.000 1.972 36 A HA -0.137 4.183 4.320 -0.000 0.000 0.219 36 A C 1.615 179.186 177.584 -0.022 0.000 1.169 36 A CA 1.775 53.797 52.037 -0.025 0.000 0.635 36 A CB -0.989 18.003 19.000 -0.013 0.000 0.810 36 A HN 0.863 nan 8.150 nan 0.000 0.446 37 D N -1.017 119.368 120.400 -0.024 0.000 2.371 37 D HA -0.119 4.521 4.640 -0.000 0.000 0.221 37 D C 0.110 176.394 176.300 -0.026 0.000 0.986 37 D CA 0.666 54.654 54.000 -0.019 0.000 0.899 37 D CB -0.659 40.131 40.800 -0.016 0.000 0.902 37 D HN 0.307 nan 8.370 nan 0.000 0.530 38 N N 0.136 118.812 118.700 -0.040 0.000 2.780 38 N HA -0.175 4.565 4.740 -0.000 0.000 0.248 38 N C -0.275 175.207 175.510 -0.046 0.000 1.102 38 N CA 1.308 54.330 53.050 -0.047 0.000 0.697 38 N CB -1.119 37.348 38.487 -0.033 0.000 1.028 38 N HN 0.540 nan 8.380 nan 0.000 0.554 39 D N -1.672 118.696 120.400 -0.054 0.000 2.574 39 D HA 0.076 4.715 4.640 -0.000 0.000 0.166 39 D C -0.493 175.766 176.300 -0.067 0.000 1.445 39 D CA 0.535 54.506 54.000 -0.048 0.000 1.453 39 D CB -0.389 40.392 40.800 -0.031 0.000 1.814 39 D HN 0.041 nan 8.370 nan 0.000 0.327 40 S N 0.805 116.460 115.700 -0.075 0.000 2.560 40 S HA 0.528 4.998 4.470 -0.000 0.000 0.284 40 S C 0.613 175.130 174.600 -0.138 0.000 1.327 40 S CA 0.188 58.321 58.200 -0.112 0.000 1.055 40 S CB 1.154 64.294 63.200 -0.100 0.000 0.868 40 S HN 0.375 nan 8.310 nan 0.000 0.506 41 G N 0.776 109.470 108.800 -0.177 0.000 2.451 41 G HA2 0.331 4.291 3.960 -0.000 0.000 0.303 41 G HA3 0.331 4.291 3.960 -0.000 0.000 0.303 41 G C 0.026 174.819 174.900 -0.179 0.000 1.166 41 G CA -0.703 44.298 45.100 -0.165 0.000 0.884 41 G HN 0.615 nan 8.290 nan 0.000 0.514 42 D N -0.291 120.019 120.400 -0.150 0.000 2.310 42 D HA 0.181 4.821 4.640 -0.000 0.000 0.212 42 D C 1.267 177.517 176.300 -0.084 0.000 0.965 42 D CA 1.655 55.589 54.000 -0.111 0.000 0.879 42 D CB 0.313 41.061 40.800 -0.086 0.000 0.921 42 D HN 0.789 nan 8.370 nan 0.000 0.510 43 G N -0.774 107.974 108.800 -0.086 0.000 2.282 43 G HA2 0.478 4.438 3.960 -0.000 0.000 0.274 43 G HA3 0.478 4.438 3.960 -0.000 0.000 0.274 43 G C -1.695 173.225 174.900 0.033 0.000 1.718 43 G CA -0.271 44.799 45.100 -0.049 0.000 0.927 43 G HN 0.287 nan 8.290 nan 0.000 0.733 44 A N -0.031 122.812 122.820 0.038 0.000 2.572 44 A HA 1.161 5.481 4.320 -0.000 0.000 0.295 44 A C 0.100 177.789 177.584 0.175 0.000 1.072 44 A CA 0.100 52.209 52.037 0.122 0.000 0.691 44 A CB 1.914 20.961 19.000 0.079 0.000 1.291 44 A HN 2.585 nan 8.150 nan 0.000 0.404 45 G N -1.088 107.846 108.800 0.223 0.000 2.547 45 G HA2 0.653 4.613 3.960 -0.000 0.000 0.291 45 G HA3 0.653 4.613 3.960 -0.000 0.000 0.291 45 G C -2.034 173.007 174.900 0.235 0.000 1.471 45 G CA 0.102 45.347 45.100 0.241 0.000 0.798 45 G HN 1.832 nan 8.290 nan 0.000 0.504 46 V N 1.646 121.684 119.914 0.207 0.000 2.841 46 V HA 0.841 4.961 4.120 -0.000 0.000 0.310 46 V C -0.556 175.633 176.094 0.157 0.000 1.090 46 V CA -0.986 61.422 62.300 0.179 0.000 0.930 46 V CB 1.873 33.763 31.823 0.112 0.000 1.014 46 V HN 1.002 nan 8.190 nan 0.000 0.425 47 M N 6.603 126.289 119.600 0.144 0.000 2.205 47 M HA 0.721 5.201 4.480 -0.000 0.000 0.344 47 M C -0.463 175.816 176.300 -0.036 0.000 1.085 47 M CA 0.021 55.392 55.300 0.119 0.000 1.001 47 M CB 1.559 34.266 32.600 0.179 0.000 1.626 47 M HN 0.930 nan 8.290 nan 0.000 0.442 48 T N 1.789 116.268 114.554 -0.125 0.000 2.831 48 T HA 0.848 5.198 4.350 -0.000 0.000 0.287 48 T C -0.171 174.253 174.700 -0.461 0.000 1.070 48 T CA -0.776 61.020 62.100 -0.507 0.000 1.010 48 T CB 1.235 70.039 68.868 -0.108 0.000 1.264 48 T HN 0.861 nan 8.240 nan 0.000 0.532 49 A N 0.584 123.069 122.820 -0.559 0.000 2.406 49 A HA 0.547 4.867 4.320 -0.000 0.000 0.243 49 A C 0.457 178.011 177.584 -0.049 0.000 1.082 49 A CA -0.633 51.354 52.037 -0.083 0.000 0.786 49 A CB -0.666 18.345 19.000 0.019 0.000 1.029 49 A HN 0.853 nan 8.150 nan 0.000 0.495 50 I N 2.418 122.984 120.570 -0.007 0.000 2.662 50 I HA 0.085 4.255 4.170 -0.000 0.000 0.285 50 I C -1.529 174.513 176.117 -0.124 0.000 1.161 50 I CA -0.939 60.332 61.300 -0.048 0.000 1.415 50 I CB 0.873 38.859 38.000 -0.022 0.000 1.385 50 I HN 0.416 nan 8.210 nan 0.000 0.552 51 P HA 0.163 nan 4.420 nan 0.000 0.260 51 P C 0.324 177.493 177.300 -0.219 0.000 1.651 51 P CA -0.171 62.679 63.100 -0.415 0.000 1.139 51 P CB 0.481 31.542 31.700 -1.065 0.000 1.756 52 R N 1.941 122.369 120.500 -0.122 0.000 2.070 52 R HA -0.179 4.161 4.340 -0.000 0.000 0.233 52 R C 2.025 178.309 176.300 -0.028 0.000 1.137 52 R CA 1.681 57.746 56.100 -0.058 0.000 0.945 52 R CB -0.201 30.072 30.300 -0.046 0.000 0.845 52 R HN 0.400 nan 8.270 nan 0.000 0.430 53 E N 0.228 120.409 120.200 -0.032 0.000 2.097 53 E HA -0.244 4.106 4.350 -0.000 0.000 0.196 53 E C 1.931 178.539 176.600 0.013 0.000 1.000 53 E CA 1.252 57.651 56.400 -0.002 0.000 0.804 53 E CB -0.023 29.677 29.700 -0.000 0.000 0.740 53 E HN 0.129 nan 8.360 nan 0.000 0.454 54 L N 0.642 121.849 121.223 -0.026 0.000 2.056 54 L HA -0.127 4.213 4.340 -0.000 0.000 0.207 54 L C 2.085 178.999 176.870 0.074 0.000 1.078 54 L CA 1.483 56.326 54.840 0.006 0.000 0.749 54 L CB -0.275 41.748 42.059 -0.060 0.000 0.901 54 L HN 0.197 nan 8.230 nan 0.000 0.433 55 L N -0.779 120.486 121.223 0.071 0.000 2.275 55 L HA -0.091 4.249 4.340 -0.000 0.000 0.215 55 L C 2.566 179.652 176.870 0.360 0.000 1.119 55 L CA 0.717 55.661 54.840 0.173 0.000 0.790 55 L CB -0.897 41.239 42.059 0.128 0.000 0.919 55 L HN 0.356 nan 8.230 nan 0.000 0.443 56 A N 0.008 122.978 122.820 0.250 0.000 1.972 56 A HA -0.209 4.111 4.320 -0.000 0.000 0.219 56 A C 2.271 180.022 177.584 0.277 0.000 1.169 56 A CA 1.235 53.430 52.037 0.263 0.000 0.635 56 A CB -0.255 18.816 19.000 0.119 0.000 0.810 56 A HN 0.468 nan 8.150 nan 0.000 0.446 57 Q N -1.705 118.225 119.800 0.217 0.000 2.124 57 Q HA -0.232 4.108 4.340 -0.000 0.000 0.202 57 Q C 1.949 178.070 176.000 0.202 0.000 0.977 57 Q CA 1.520 57.426 55.803 0.171 0.000 0.850 57 Q CB -0.506 28.309 28.738 0.129 0.000 0.901 57 Q HN 0.922 nan 8.270 nan 0.000 0.429 58 W N 0.920 122.255 121.300 0.058 0.000 2.355 58 W HA -0.190 4.470 4.660 -0.000 0.000 0.309 58 W C 1.732 178.203 176.519 -0.081 0.000 1.206 58 W CA 1.314 58.639 57.345 -0.034 0.000 1.284 58 W CB -0.360 29.041 29.460 -0.098 0.000 1.145 58 W HN 0.006 nan 8.180 nan 0.000 0.502 59 F N 0.668 120.868 119.950 0.418 0.000 2.134 59 F HA -0.234 4.293 4.527 -0.000 0.000 0.299 59 F C 2.337 178.161 175.800 0.042 0.000 1.097 59 F CA 2.053 60.200 58.000 0.245 0.000 1.264 59 F CB -1.287 37.865 39.000 0.253 0.000 1.001 59 F HN -0.039 nan 8.300 nan 0.000 0.479 60 N N -0.435 118.391 118.700 0.211 0.000 2.120 60 N HA -0.169 4.570 4.740 -0.000 0.000 0.188 60 N C 1.727 177.236 175.510 -0.002 0.000 1.024 60 N CA 1.933 55.038 53.050 0.092 0.000 0.852 60 N CB -0.362 38.175 38.487 0.083 0.000 1.003 60 N HN 0.045 nan 8.380 nan 0.000 0.424 61 T N -0.389 114.127 114.554 -0.063 0.000 2.788 61 T HA -0.058 4.292 4.350 -0.000 0.000 0.268 61 T C 1.592 176.164 174.700 -0.213 0.000 1.044 61 T CA 1.166 63.181 62.100 -0.143 0.000 1.139 61 T CB -0.143 68.611 68.868 -0.190 0.000 0.867 61 T HN 0.203 nan 8.240 nan 0.000 0.454 62 R N 0.953 121.259 120.500 -0.322 0.000 2.310 62 R HA 0.213 4.553 4.340 -0.000 0.000 0.202 62 R C 0.533 176.747 176.300 -0.143 0.000 0.933 62 R CA 0.042 55.948 56.100 -0.324 0.000 1.054 62 R CB -0.157 29.797 30.300 -0.576 0.000 0.985 62 R HN 0.254 nan 8.270 nan 0.000 0.489 63 N N -0.193 118.467 118.700 -0.065 0.000 2.738 63 N HA -0.185 4.555 4.740 -0.000 0.000 0.249 63 N C -1.736 173.799 175.510 0.042 0.000 1.047 63 N CA 0.464 53.512 53.050 -0.004 0.000 0.707 63 N CB -0.712 37.764 38.487 -0.018 0.000 0.937 63 N HN 0.013 nan 8.380 nan 0.000 0.545 64 L N 0.813 122.105 121.223 0.115 0.000 2.381 64 L HA 0.666 5.006 4.340 -0.000 0.000 0.268 64 L C -1.938 175.094 176.870 0.270 0.000 0.997 64 L CA -1.813 53.157 54.840 0.216 0.000 0.818 64 L CB 1.650 43.892 42.059 0.304 0.000 1.310 64 L HN 0.033 nan 8.230 nan 0.000 0.416 65 P HA 0.166 nan 4.420 nan 0.000 0.276 65 P C -0.687 176.556 177.300 -0.095 0.000 1.243 65 P CA -0.375 62.754 63.100 0.049 0.000 0.768 65 P CB 0.676 32.392 31.700 0.025 0.000 0.856 66 M N 5.643 125.048 119.600 -0.325 0.000 2.146 66 M HA 0.304 4.784 4.480 -0.000 0.000 0.357 66 M C -2.191 173.826 176.300 -0.471 0.000 1.261 66 M CA -1.978 52.804 55.300 -0.863 0.000 1.106 66 M CB 0.658 32.771 32.600 -0.811 0.000 1.612 66 M HN 0.171 nan 8.290 nan 0.000 0.470 67 P HA 0.103 nan 4.420 nan 0.000 0.270 67 P C -1.044 176.148 177.300 -0.180 0.000 1.227 67 P CA -0.174 62.799 63.100 -0.212 0.000 0.788 67 P CB 0.445 32.057 31.700 -0.146 0.000 0.926 68 D N -0.375 119.958 120.400 -0.112 0.000 2.414 68 D HA 0.084 4.724 4.640 -0.000 0.000 0.259 68 D C 1.876 178.132 176.300 -0.073 0.000 1.269 68 D CA 0.060 54.007 54.000 -0.087 0.000 1.028 68 D CB -0.107 40.656 40.800 -0.062 0.000 1.093 68 D HN 0.419 nan 8.370 nan 0.000 0.545 69 G N 0.117 108.884 108.800 -0.054 0.000 2.649 69 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.220 69 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.220 69 G C 0.733 175.611 174.900 -0.037 0.000 1.189 69 G CA 1.023 46.099 45.100 -0.040 0.000 0.777 69 G HN 0.462 nan 8.290 nan 0.000 0.602 70 D N -0.252 120.125 120.400 -0.038 0.000 2.388 70 D HA 0.140 4.780 4.640 -0.000 0.000 0.221 70 D C 1.766 178.040 176.300 -0.043 0.000 1.133 70 D CA -0.053 53.925 54.000 -0.036 0.000 0.831 70 D CB 0.349 41.128 40.800 -0.035 0.000 0.962 70 D HN 0.332 nan 8.370 nan 0.000 0.502 71 R N 0.116 120.587 120.500 -0.049 0.000 2.437 71 R HA 0.159 4.499 4.340 -0.000 0.000 0.257 71 R C 0.122 176.396 176.300 -0.044 0.000 0.927 71 R CA -0.363 55.707 56.100 -0.050 0.000 1.078 71 R CB 1.069 31.338 30.300 -0.051 0.000 1.161 71 R HN -0.031 nan 8.270 nan 0.000 0.529 72 L N 1.356 122.555 121.223 -0.041 0.000 2.283 72 L HA 0.467 4.807 4.340 -0.000 0.000 0.281 72 L C -0.151 176.712 176.870 -0.011 0.000 1.033 72 L CA -0.494 54.335 54.840 -0.019 0.000 0.848 72 L CB 1.298 43.344 42.059 -0.021 0.000 1.226 72 L HN 0.020 nan 8.230 nan 0.000 0.429 73 G N 4.577 113.373 108.800 -0.006 0.000 2.380 73 G HA2 0.505 4.465 3.960 -0.000 0.000 0.262 73 G HA3 0.505 4.465 3.960 -0.000 0.000 0.262 73 G C -0.986 173.956 174.900 0.071 0.000 1.243 73 G CA -0.304 44.814 45.100 0.030 0.000 0.865 73 G HN 0.474 nan 8.290 nan 0.000 0.513 74 V N 1.819 121.781 119.914 0.080 0.000 2.487 74 V HA 0.738 4.858 4.120 -0.000 0.000 0.298 74 V C 0.619 176.692 176.094 -0.034 0.000 1.028 74 V CA -0.589 61.688 62.300 -0.037 0.000 0.860 74 V CB 1.819 33.586 31.823 -0.094 0.000 0.991 74 V HN 0.953 nan 8.190 nan 0.000 0.427 75 G N 3.752 112.318 108.800 -0.392 0.000 2.422 75 G HA2 0.592 4.552 3.960 -0.000 0.000 0.317 75 G HA3 0.592 4.552 3.960 -0.000 0.000 0.317 75 G C -0.807 173.790 174.900 -0.504 0.000 1.210 75 G CA -0.635 43.989 45.100 -0.794 0.000 0.930 75 G HN 0.597 nan 8.290 nan 0.000 0.468 76 M N 3.911 123.280 119.600 -0.386 0.000 2.084 76 M HA 0.557 5.037 4.480 -0.000 0.000 0.351 76 M C -0.912 175.204 176.300 -0.306 0.000 1.240 76 M CA -0.490 54.628 55.300 -0.304 0.000 1.083 76 M CB 1.156 33.553 32.600 -0.338 0.000 1.593 76 M HN 0.170 nan 8.290 nan 0.000 0.463 77 V N 6.281 126.124 119.914 -0.118 0.000 2.656 77 V HA 0.484 4.604 4.120 -0.000 0.000 0.307 77 V C -0.725 175.504 176.094 0.225 0.000 1.051 77 V CA -0.711 61.562 62.300 -0.045 0.000 0.893 77 V CB 1.740 33.635 31.823 0.119 0.000 0.999 77 V HN 0.704 nan 8.190 nan 0.000 0.426 78 F N 4.618 124.636 119.950 0.113 0.000 2.404 78 F HA 0.576 5.103 4.527 -0.000 0.000 0.358 78 F C 0.115 176.051 175.800 0.227 0.000 1.120 78 F CA -0.622 57.480 58.000 0.171 0.000 1.144 78 F CB 1.076 40.234 39.000 0.264 0.000 1.133 78 F HN 0.241 nan 8.300 nan 0.000 0.495 79 L N 4.820 126.262 121.223 0.365 0.000 2.313 79 L HA 0.535 4.875 4.340 -0.000 0.000 0.268 79 L C -2.409 174.579 176.870 0.197 0.000 1.010 79 L CA -2.486 52.540 54.840 0.311 0.000 0.814 79 L CB 1.572 43.759 42.059 0.212 0.000 1.304 79 L HN 0.303 nan 8.230 nan 0.000 0.441 80 P HA 0.047 nan 4.420 nan 0.000 0.269 80 P C -0.315 176.989 177.300 0.008 0.000 1.209 80 P CA -0.282 62.839 63.100 0.035 0.000 0.776 80 P CB 0.549 32.232 31.700 -0.028 0.000 0.876 81 Q N 0.700 120.488 119.800 -0.020 0.000 2.123 81 Q HA -0.087 4.253 4.340 -0.000 0.000 0.199 81 Q C 0.599 176.547 176.000 -0.088 0.000 0.966 81 Q CA 1.054 56.820 55.803 -0.061 0.000 0.845 81 Q CB -0.178 28.525 28.738 -0.058 0.000 0.907 81 Q HN 0.567 nan 8.270 nan 0.000 0.439 82 E N 2.067 122.227 120.200 -0.068 0.000 2.498 82 E HA -0.041 4.309 4.350 -0.000 0.000 0.252 82 E C -1.773 174.775 176.600 -0.087 0.000 1.025 82 E CA -1.498 54.860 56.400 -0.070 0.000 0.938 82 E CB 1.018 30.685 29.700 -0.056 0.000 0.947 82 E HN -0.051 nan 8.360 nan 0.000 0.478 83 P HA -0.233 nan 4.420 nan 0.000 0.216 83 P C 1.358 178.603 177.300 -0.091 0.000 1.154 83 P CA 2.028 65.067 63.100 -0.102 0.000 0.865 83 P CB 0.149 31.797 31.700 -0.087 0.000 0.789 84 S N -1.238 114.417 115.700 -0.075 0.000 2.414 84 S HA 0.048 4.518 4.470 -0.000 0.000 0.227 84 S C 2.098 176.649 174.600 -0.082 0.000 1.022 84 S CA 0.791 58.949 58.200 -0.070 0.000 0.958 84 S CB -1.294 61.873 63.200 -0.055 0.000 0.797 84 S HN 0.112 nan 8.310 nan 0.000 0.493 85 A N 2.461 125.229 122.820 -0.087 0.000 1.933 85 A HA -0.010 4.310 4.320 -0.000 0.000 0.218 85 A C 2.307 179.810 177.584 -0.135 0.000 1.175 85 A CA 1.413 53.385 52.037 -0.109 0.000 0.628 85 A CB -0.768 18.174 19.000 -0.095 0.000 0.814 85 A HN 0.562 nan 8.150 nan 0.000 0.444 86 R N -0.414 120.017 120.500 -0.115 0.000 2.091 86 R HA -0.159 4.181 4.340 -0.000 0.000 0.238 86 R C 1.718 177.936 176.300 -0.138 0.000 1.136 86 R CA 1.706 57.736 56.100 -0.117 0.000 0.959 86 R CB -0.133 30.096 30.300 -0.119 0.000 0.856 86 R HN 0.462 nan 8.270 nan 0.000 0.437 87 E N -0.128 119.999 120.200 -0.122 0.000 2.158 87 E HA -0.085 4.265 4.350 -0.000 0.000 0.191 87 E C 2.066 178.621 176.600 -0.076 0.000 0.982 87 E CA 0.722 57.058 56.400 -0.105 0.000 0.823 87 E CB -0.044 29.607 29.700 -0.082 0.000 0.766 87 E HN 0.193 nan 8.360 nan 0.000 0.468 88 V N 1.738 121.600 119.914 -0.087 0.000 2.270 88 V HA -0.229 3.891 4.120 -0.000 0.000 0.245 88 V C 2.453 178.499 176.094 -0.080 0.000 1.043 88 V CA 1.779 64.037 62.300 -0.070 0.000 1.014 88 V CB -0.865 30.899 31.823 -0.098 0.000 0.645 88 V HN 0.232 nan 8.190 nan 0.000 0.447 89 A N 0.026 122.717 122.820 -0.215 0.000 1.873 89 A HA -0.319 4.001 4.320 -0.000 0.000 0.218 89 A C 2.408 179.999 177.584 0.012 0.000 1.193 89 A CA 2.428 54.252 52.037 -0.356 0.000 0.629 89 A CB -0.702 17.924 19.000 -0.624 0.000 0.826 89 A HN 0.470 nan 8.150 nan 0.000 0.447 90 R N -0.542 119.942 120.500 -0.027 0.000 2.083 90 R HA -0.163 4.177 4.340 -0.000 0.000 0.237 90 R C 2.299 178.715 176.300 0.193 0.000 1.137 90 R CA 1.641 57.732 56.100 -0.015 0.000 0.951 90 R CB -0.425 29.675 30.300 -0.333 0.000 0.851 90 R HN 0.478 nan 8.270 nan 0.000 0.434 91 A N -0.465 122.431 122.820 0.127 0.000 1.969 91 A HA -0.185 4.135 4.320 -0.000 0.000 0.218 91 A C 1.933 179.635 177.584 0.197 0.000 1.169 91 A CA 1.007 53.138 52.037 0.156 0.000 0.635 91 A CB -0.664 18.396 19.000 0.100 0.000 0.810 91 A HN 0.587 nan 8.150 nan 0.000 0.445 92 Y N 0.346 120.717 120.300 0.119 0.000 2.242 92 Y HA -0.128 4.422 4.550 -0.000 0.000 0.291 92 Y C 2.311 178.357 175.900 0.243 0.000 1.137 92 Y CA 1.656 59.850 58.100 0.156 0.000 1.181 92 Y CB -0.066 38.473 38.460 0.132 0.000 0.989 92 Y HN 0.086 nan 8.280 nan 0.000 0.527 93 V N 0.224 120.363 119.914 0.376 0.000 2.307 93 V HA -0.269 3.851 4.120 -0.000 0.000 0.245 93 V C 2.148 178.353 176.094 0.185 0.000 1.045 93 V CA 2.228 64.719 62.300 0.318 0.000 1.024 93 V CB -0.541 31.578 31.823 0.493 0.000 0.651 93 V HN 0.373 nan 8.190 nan 0.000 0.449 94 E N -0.227 120.124 120.200 0.252 0.000 2.110 94 E HA -0.280 4.070 4.350 -0.000 0.000 0.193 94 E C 2.262 178.902 176.600 0.068 0.000 0.988 94 E CA 1.475 57.982 56.400 0.179 0.000 0.804 94 E CB -0.043 29.812 29.700 0.258 0.000 0.745 94 E HN 0.722 nan 8.360 nan 0.000 0.458 95 E N 0.686 120.893 120.200 0.011 0.000 2.072 95 E HA -0.149 4.201 4.350 -0.000 0.000 0.190 95 E C 2.262 178.783 176.600 -0.130 0.000 0.982 95 E CA 1.329 57.690 56.400 -0.064 0.000 0.803 95 E CB 0.124 29.769 29.700 -0.092 0.000 0.755 95 E HN 0.192 nan 8.360 nan 0.000 0.453 96 V N -0.796 118.980 119.914 -0.229 0.000 2.809 96 V HA -0.098 4.022 4.120 -0.000 0.000 0.256 96 V C 2.071 178.125 176.094 -0.065 0.000 1.080 96 V CA 1.193 63.386 62.300 -0.177 0.000 1.102 96 V CB 0.056 31.749 31.823 -0.217 0.000 0.705 96 V HN 0.143 nan 8.190 nan 0.000 0.475 97 V N 0.864 120.768 119.914 -0.017 0.000 2.307 97 V HA -0.193 3.927 4.120 -0.000 0.000 0.245 97 V C 2.963 179.043 176.094 -0.024 0.000 1.045 97 V CA 2.678 64.977 62.300 -0.000 0.000 1.024 97 V CB -0.853 30.998 31.823 0.048 0.000 0.651 97 V HN 0.502 nan 8.190 nan 0.000 0.449 98 R N -0.630 119.861 120.500 -0.016 0.000 2.091 98 R HA -0.145 4.195 4.340 -0.000 0.000 0.238 98 R C 2.106 178.391 176.300 -0.024 0.000 1.136 98 R CA 1.259 57.351 56.100 -0.013 0.000 0.959 98 R CB -0.458 29.843 30.300 0.001 0.000 0.856 98 R HN 0.299 nan 8.270 nan 0.000 0.437 99 L N 1.057 122.260 121.223 -0.034 0.000 2.362 99 L HA -0.096 4.244 4.340 -0.000 0.000 0.219 99 L C 1.789 178.636 176.870 -0.039 0.000 1.134 99 L CA 1.552 56.372 54.840 -0.033 0.000 0.807 99 L CB -0.343 41.694 42.059 -0.038 0.000 0.927 99 L HN 0.055 nan 8.230 nan 0.000 0.447 100 E N -0.132 120.038 120.200 -0.050 0.000 2.478 100 E HA -0.045 4.305 4.350 -0.000 0.000 0.194 100 E C 0.693 177.255 176.600 -0.064 0.000 1.045 100 E CA 0.012 56.373 56.400 -0.065 0.000 0.868 100 E CB 0.150 29.798 29.700 -0.087 0.000 0.885 100 E HN 0.309 nan 8.360 nan 0.000 0.505 101 K N -0.496 119.874 120.400 -0.049 0.000 3.423 101 K HA -0.156 4.164 4.320 -0.000 0.000 0.306 101 K C -0.104 176.469 176.600 -0.045 0.000 1.331 101 K CA 0.193 56.455 56.287 -0.042 0.000 0.905 101 K CB -1.611 30.864 32.500 -0.043 0.000 1.332 101 K HN 0.084 nan 8.250 nan 0.000 0.473 102 L N 0.397 121.589 121.223 -0.052 0.000 2.416 102 L HA 0.358 4.698 4.340 -0.000 0.000 0.262 102 L C 0.726 177.580 176.870 -0.026 0.000 1.093 102 L CA -0.646 54.163 54.840 -0.051 0.000 0.801 102 L CB 1.274 43.284 42.059 -0.081 0.000 1.191 102 L HN -0.090 nan 8.230 nan 0.000 0.459 103 T N 0.837 115.381 114.554 -0.017 0.000 2.767 103 T HA 0.352 4.702 4.350 -0.000 0.000 0.284 103 T C -0.187 174.514 174.700 0.002 0.000 0.973 103 T CA -0.468 61.634 62.100 0.003 0.000 0.996 103 T CB 1.490 70.368 68.868 0.015 0.000 0.927 103 T HN 0.186 nan 8.240 nan 0.000 0.456 104 V N 5.598 125.516 119.914 0.006 0.000 2.455 104 V HA 0.148 4.268 4.120 -0.000 0.000 0.273 104 V C 1.269 177.374 176.094 0.017 0.000 1.045 104 V CA -0.047 62.241 62.300 -0.020 0.000 0.976 104 V CB 0.460 32.279 31.823 -0.007 0.000 0.993 104 V HN 0.856 nan 8.190 nan 0.000 0.475 105 L N 4.103 125.329 121.223 0.004 0.000 2.307 105 L HA 0.437 4.777 4.340 -0.000 0.000 0.211 105 L C 1.221 178.211 176.870 0.199 0.000 1.099 105 L CA 1.109 56.013 54.840 0.106 0.000 0.816 105 L CB -0.170 41.967 42.059 0.130 0.000 0.952 105 L HN 0.925 nan 8.230 nan 0.000 0.455 106 G N -1.961 106.876 108.800 0.063 0.000 2.350 106 G HA2 0.022 3.982 3.960 -0.000 0.000 0.282 106 G HA3 0.022 3.982 3.960 -0.000 0.000 0.282 106 G C -2.355 172.547 174.900 0.003 0.000 1.314 106 G CA -0.953 44.284 45.100 0.227 0.000 0.915 106 G HN -0.058 nan 8.290 nan 0.000 0.499 107 W N 0.041 121.514 121.300 0.288 0.000 2.736 107 W HA 0.794 5.454 4.660 -0.000 0.000 0.335 107 W C 0.381 177.080 176.519 0.300 0.000 1.059 107 W CA -0.763 56.664 57.345 0.136 0.000 1.226 107 W CB 2.053 31.581 29.460 0.115 0.000 1.416 107 W HN 0.558 nan 8.180 nan 0.000 0.505 108 R N 2.358 123.026 120.500 0.279 0.000 2.310 108 R HA 0.257 4.597 4.340 -0.000 0.000 0.324 108 R C -0.347 176.108 176.300 0.257 0.000 0.955 108 R CA -0.696 55.578 56.100 0.290 0.000 0.830 108 R CB 0.993 31.217 30.300 -0.127 0.000 1.154 108 R HN 0.588 nan 8.270 nan 0.000 0.458 109 E N 3.225 123.586 120.200 0.267 0.000 2.415 109 E HA 0.014 4.364 4.350 -0.000 0.000 0.260 109 E C -0.791 175.897 176.600 0.147 0.000 1.016 109 E CA -0.164 56.340 56.400 0.172 0.000 0.924 109 E CB 0.756 30.553 29.700 0.162 0.000 0.961 109 E HN 0.316 nan 8.360 nan 0.000 0.459 110 V N 8.123 128.102 119.914 0.109 0.000 2.439 110 V HA 0.142 4.261 4.120 -0.000 0.000 0.271 110 V C -1.952 174.213 176.094 0.119 0.000 1.040 110 V CA -1.460 60.935 62.300 0.157 0.000 1.002 110 V CB 0.597 32.551 31.823 0.217 0.000 1.000 110 V HN 0.787 nan 8.190 nan 0.000 0.477 111 P HA 0.198 nan 4.420 nan 0.000 0.265 111 P C -0.626 176.658 177.300 -0.026 0.000 1.222 111 P CA 0.306 63.444 63.100 0.064 0.000 0.767 111 P CB 0.474 32.227 31.700 0.087 0.000 0.801 112 V N 0.745 120.578 119.914 -0.135 0.000 2.962 112 V HA 0.663 4.783 4.120 -0.000 0.000 0.313 112 V C -0.654 175.291 176.094 -0.247 0.000 1.099 112 V CA -1.075 60.980 62.300 -0.410 0.000 0.971 112 V CB 2.672 34.024 31.823 -0.786 0.000 1.028 112 V HN 0.236 nan 8.190 nan 0.000 0.430 113 N N 1.730 120.279 118.700 -0.252 0.000 2.558 113 N HA 0.398 5.138 4.740 -0.000 0.000 0.242 113 N C 0.629 176.235 175.510 0.160 0.000 0.979 113 N CA 0.120 53.160 53.050 -0.017 0.000 0.931 113 N CB 1.526 40.027 38.487 0.023 0.000 1.122 113 N HN 0.725 nan 8.380 nan 0.000 0.508 114 S N 1.480 117.280 115.700 0.166 0.000 2.453 114 S HA -0.049 4.421 4.470 -0.000 0.000 0.231 114 S C 0.854 175.554 174.600 0.168 0.000 1.005 114 S CA 0.501 58.852 58.200 0.253 0.000 0.949 114 S CB 0.083 63.385 63.200 0.169 0.000 0.774 114 S HN 0.612 nan 8.310 nan 0.000 0.510 115 D N 1.401 121.871 120.400 0.116 0.000 2.378 115 D HA -0.045 4.595 4.640 -0.000 0.000 0.222 115 D C 1.868 178.215 176.300 0.080 0.000 0.980 115 D CA 0.723 54.771 54.000 0.080 0.000 0.907 115 D CB 0.085 40.919 40.800 0.058 0.000 0.899 115 D HN 0.476 nan 8.370 nan 0.000 0.527 116 V N -1.684 118.298 119.914 0.113 0.000 3.052 116 V HA 0.078 4.198 4.120 -0.000 0.000 0.254 116 V C 1.247 177.378 176.094 0.062 0.000 1.100 116 V CA 0.051 62.407 62.300 0.093 0.000 1.112 116 V CB -0.508 31.385 31.823 0.117 0.000 0.738 116 V HN -0.049 nan 8.190 nan 0.000 0.469 117 L N 2.106 123.366 121.223 0.062 0.000 2.483 117 L HA 0.412 4.752 4.340 -0.000 0.000 0.275 117 L C 1.250 178.121 176.870 0.001 0.000 1.220 117 L CA 0.693 55.531 54.840 -0.004 0.000 0.833 117 L CB -0.215 41.843 42.059 -0.001 0.000 1.102 117 L HN 0.364 nan 8.230 nan 0.000 0.490 118 G N 1.169 109.954 108.800 -0.025 0.000 2.527 118 G HA2 0.301 4.261 3.960 -0.000 0.000 0.248 118 G HA3 0.301 4.261 3.960 -0.000 0.000 0.248 118 G C 0.956 175.856 174.900 0.000 0.000 1.231 118 G CA -0.367 44.723 45.100 -0.017 0.000 0.838 118 G HN 0.788 nan 8.290 nan 0.000 0.570 119 I N -0.763 119.810 120.570 0.004 0.000 2.194 119 I HA -0.230 3.940 4.170 -0.000 0.000 0.246 119 I C 2.347 178.477 176.117 0.021 0.000 1.093 119 I CA 1.733 63.041 61.300 0.013 0.000 1.355 119 I CB -0.550 37.456 38.000 0.010 0.000 1.046 119 I HN 0.585 nan 8.210 nan 0.000 0.413 120 Q N 1.261 121.069 119.800 0.014 0.000 2.030 120 Q HA -0.182 4.158 4.340 -0.000 0.000 0.204 120 Q C 2.530 178.569 176.000 0.066 0.000 0.986 120 Q CA 2.051 57.870 55.803 0.026 0.000 0.843 120 Q CB -0.454 28.288 28.738 0.007 0.000 0.904 120 Q HN 0.755 nan 8.270 nan 0.000 0.420 121 A N 1.056 123.913 122.820 0.061 0.000 1.972 121 A HA -0.208 4.112 4.320 -0.000 0.000 0.219 121 A C 1.952 179.683 177.584 0.245 0.000 1.169 121 A CA 1.397 53.541 52.037 0.178 0.000 0.635 121 A CB -0.346 18.657 19.000 0.004 0.000 0.810 121 A HN 0.178 nan 8.150 nan 0.000 0.446 122 K N -0.452 120.013 120.400 0.107 0.000 2.032 122 K HA -0.165 4.155 4.320 -0.000 0.000 0.209 122 K C 1.680 178.301 176.600 0.035 0.000 1.048 122 K CA 1.552 57.877 56.287 0.063 0.000 0.927 122 K CB -0.155 32.370 32.500 0.042 0.000 0.712 122 K HN 0.407 nan 8.250 nan 0.000 0.441 123 N N 0.885 119.610 118.700 0.043 0.000 2.270 123 N HA -0.096 4.644 4.740 -0.000 0.000 0.181 123 N C 1.177 176.693 175.510 0.009 0.000 1.016 123 N CA 0.978 54.041 53.050 0.020 0.000 0.870 123 N CB -0.243 38.257 38.487 0.023 0.000 0.979 123 N HN 0.170 nan 8.380 nan 0.000 0.431 124 N N 0.777 119.507 118.700 0.049 0.000 2.463 124 N HA -0.040 4.700 4.740 -0.000 0.000 0.181 124 N C 0.159 175.543 175.510 -0.211 0.000 1.078 124 N CA 0.101 53.172 53.050 0.035 0.000 0.902 124 N CB 0.045 38.675 38.487 0.239 0.000 0.970 124 N HN 0.350 nan 8.380 nan 0.000 0.451 125 Q N 2.172 121.779 119.800 -0.321 0.000 2.247 125 Q HA 0.022 4.362 4.340 -0.000 0.000 0.288 125 Q C -2.266 173.342 176.000 -0.654 0.000 1.079 125 Q CA -1.222 54.083 55.803 -0.830 0.000 0.932 125 Q CB 0.654 29.102 28.738 -0.483 0.000 1.133 125 Q HN 0.177 nan 8.270 nan 0.000 0.377 126 P HA 0.000 nan 4.420 nan 0.000 0.274 126 P C -1.020 176.121 177.300 -0.266 0.000 1.237 126 P CA -0.145 62.686 63.100 -0.449 0.000 0.793 126 P CB 0.627 32.022 31.700 -0.508 0.000 0.977 127 H N 1.193 120.180 119.070 -0.138 0.000 2.646 127 H HA 0.370 4.926 4.556 -0.000 0.000 0.325 127 H C -0.417 174.937 175.328 0.044 0.000 1.075 127 H CA 0.032 56.046 56.048 -0.058 0.000 1.421 127 H CB -0.423 29.314 29.762 -0.041 0.000 1.461 127 H HN 0.190 nan 8.280 nan 0.000 0.525 128 I N 5.489 125.832 120.570 -0.379 0.000 2.354 128 I HA 0.263 4.433 4.170 -0.000 0.000 0.286 128 I C -0.133 175.901 176.117 -0.139 0.000 1.007 128 I CA -0.233 61.026 61.300 -0.067 0.000 1.167 128 I CB 0.965 39.074 38.000 0.181 0.000 1.320 128 I HN 0.578 nan 8.210 nan 0.000 0.458 129 E N 5.069 125.274 120.200 0.009 0.000 2.369 129 E HA 0.511 4.861 4.350 -0.000 0.000 0.270 129 E C -1.264 175.456 176.600 0.199 0.000 0.909 129 E CA -0.989 55.484 56.400 0.122 0.000 0.775 129 E CB 2.607 32.406 29.700 0.163 0.000 1.270 129 E HN 0.472 nan 8.360 nan 0.000 0.445 130 Q N 1.234 121.130 119.800 0.160 0.000 2.312 130 Q HA 0.515 4.855 4.340 -0.000 0.000 0.263 130 Q C -0.896 174.979 176.000 -0.209 0.000 0.995 130 Q CA -0.470 55.294 55.803 -0.063 0.000 0.853 130 Q CB 2.508 31.149 28.738 -0.161 0.000 1.300 130 Q HN 0.433 nan 8.270 nan 0.000 0.448 131 I N 3.242 123.444 120.570 -0.613 0.000 2.392 131 I HA 0.384 4.554 4.170 -0.000 0.000 0.295 131 I C -1.384 174.347 176.117 -0.642 0.000 0.985 131 I CA -0.791 59.869 61.300 -1.067 0.000 1.221 131 I CB 0.709 37.715 38.000 -1.658 0.000 1.366 131 I HN 0.489 nan 8.210 nan 0.000 0.467 132 L N 7.784 128.648 121.223 -0.599 0.000 2.307 132 L HA 0.641 4.981 4.340 -0.000 0.000 0.284 132 L C -0.867 175.873 176.870 -0.216 0.000 1.023 132 L CA -0.807 53.788 54.840 -0.407 0.000 0.810 132 L CB 1.682 43.350 42.059 -0.652 0.000 1.231 132 L HN 0.334 nan 8.230 nan 0.000 0.423 133 V N 1.436 121.308 119.914 -0.070 0.000 2.808 133 V HA 0.601 4.721 4.120 -0.000 0.000 0.308 133 V C -0.089 176.003 176.094 -0.002 0.000 1.099 133 V CA -0.399 61.892 62.300 -0.015 0.000 0.920 133 V CB 2.676 34.528 31.823 0.048 0.000 1.014 133 V HN 0.970 nan 8.190 nan 0.000 0.425 134 T N -0.042 114.511 114.554 -0.001 0.000 2.888 134 T HA 0.552 4.902 4.350 -0.000 0.000 0.288 134 T C -0.627 174.055 174.700 -0.030 0.000 1.063 134 T CA -0.736 61.359 62.100 -0.009 0.000 1.010 134 T CB 1.753 70.632 68.868 0.018 0.000 1.214 134 T HN 0.785 nan 8.240 nan 0.000 0.533 135 C N 3.136 122.413 119.300 -0.039 0.000 2.281 135 C HA 0.629 5.089 4.460 -0.000 0.000 0.325 135 C C -1.116 173.855 174.990 -0.031 0.000 1.282 135 C CA -1.885 57.105 59.018 -0.045 0.000 1.640 135 C CB 0.536 28.238 27.740 -0.063 0.000 2.288 135 C HN 0.798 nan 8.230 nan 0.000 0.507 136 P HA -0.057 nan 4.420 nan 0.000 0.226 136 P C 0.981 178.268 177.300 -0.022 0.000 1.153 136 P CA 1.409 64.499 63.100 -0.017 0.000 0.777 136 P CB 0.164 31.856 31.700 -0.012 0.000 0.794 137 E N -0.980 119.202 120.200 -0.031 0.000 2.318 137 E HA 0.111 4.461 4.350 -0.000 0.000 0.193 137 E C 1.367 177.947 176.600 -0.033 0.000 0.998 137 E CA 1.016 57.396 56.400 -0.032 0.000 0.859 137 E CB -0.041 29.635 29.700 -0.039 0.000 0.812 137 E HN 0.352 nan 8.360 nan 0.000 0.492 138 G N 0.918 109.696 108.800 -0.036 0.000 2.227 138 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.168 138 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.168 138 G C 0.459 175.332 174.900 -0.044 0.000 1.006 138 G CA -0.208 44.870 45.100 -0.036 0.000 0.684 138 G HN 0.257 nan 8.290 nan 0.000 0.489 139 C N 1.468 120.737 119.300 -0.053 0.000 2.522 139 C HA 0.420 4.880 4.460 -0.000 0.000 0.394 139 C C 1.209 176.164 174.990 -0.059 0.000 1.359 139 C CA 1.597 60.578 59.018 -0.063 0.000 1.667 139 C CB -0.440 27.254 27.740 -0.077 0.000 2.595 139 C HN 1.713 nan 8.230 nan 0.000 0.604 140 A N 3.149 125.932 122.820 -0.061 0.000 2.612 140 A HA 0.750 5.070 4.320 -0.000 0.000 0.293 140 A C 0.269 177.819 177.584 -0.057 0.000 1.075 140 A CA 0.501 52.505 52.037 -0.056 0.000 0.680 140 A CB 0.418 19.390 19.000 -0.047 0.000 1.279 140 A HN 2.572 nan 8.150 nan 0.000 0.411 141 G N 1.134 109.903 108.800 -0.052 0.000 2.629 141 G HA2 -0.352 3.608 3.960 -0.000 0.000 0.313 141 G HA3 -0.352 3.608 3.960 -0.000 0.000 0.313 141 G C 0.638 175.504 174.900 -0.056 0.000 1.217 141 G CA 1.379 46.450 45.100 -0.049 0.000 0.994 141 G HN 0.922 nan 8.290 nan 0.000 0.549 142 D N 0.476 120.843 120.400 -0.054 0.000 2.104 142 D HA 0.001 4.641 4.640 -0.000 0.000 0.194 142 D C 2.247 178.507 176.300 -0.067 0.000 0.994 142 D CA 1.766 55.733 54.000 -0.055 0.000 0.830 142 D CB -0.337 40.435 40.800 -0.047 0.000 0.959 142 D HN 0.482 nan 8.370 nan 0.000 0.452 143 E N 0.223 120.377 120.200 -0.077 0.000 2.106 143 E HA -0.108 4.242 4.350 -0.000 0.000 0.192 143 E C 1.880 178.413 176.600 -0.111 0.000 0.984 143 E CA 0.313 56.652 56.400 -0.102 0.000 0.806 143 E CB -0.351 29.289 29.700 -0.100 0.000 0.750 143 E HN 0.135 nan 8.360 nan 0.000 0.458 144 L N 0.849 122.013 121.223 -0.099 0.000 2.017 144 L HA -0.111 4.229 4.340 -0.000 0.000 0.208 144 L C 1.538 178.333 176.870 -0.125 0.000 1.073 144 L CA 2.099 56.870 54.840 -0.114 0.000 0.745 144 L CB -0.875 41.125 42.059 -0.098 0.000 0.894 144 L HN 0.058 nan 8.230 nan 0.000 0.432 145 D N -0.870 119.473 120.400 -0.094 0.000 2.178 145 D HA -0.174 4.466 4.640 -0.000 0.000 0.202 145 D C 2.334 178.611 176.300 -0.039 0.000 0.974 145 D CA 0.755 54.708 54.000 -0.078 0.000 0.841 145 D CB -0.075 40.689 40.800 -0.059 0.000 0.953 145 D HN 0.264 nan 8.370 nan 0.000 0.478 146 R N 0.373 120.848 120.500 -0.042 0.000 2.096 146 R HA -0.067 4.273 4.340 -0.000 0.000 0.235 146 R C 1.896 178.182 176.300 -0.022 0.000 1.127 146 R CA 0.984 57.087 56.100 0.004 0.000 0.968 146 R CB 0.156 30.398 30.300 -0.097 0.000 0.861 146 R HN 0.103 nan 8.270 nan 0.000 0.440 147 R N -0.079 120.349 120.500 -0.121 0.000 2.100 147 R HA -0.027 4.313 4.340 -0.000 0.000 0.220 147 R C 2.161 178.339 176.300 -0.203 0.000 1.091 147 R CA 0.433 56.434 56.100 -0.164 0.000 0.986 147 R CB -0.297 29.895 30.300 -0.179 0.000 0.888 147 R HN 0.177 nan 8.270 nan 0.000 0.444 148 L N 0.250 121.317 121.223 -0.260 0.000 2.131 148 L HA -0.183 4.157 4.340 -0.000 0.000 0.210 148 L C 2.175 178.895 176.870 -0.250 0.000 1.092 148 L CA 1.540 56.090 54.840 -0.482 0.000 0.759 148 L CB -1.095 40.668 42.059 -0.492 0.000 0.903 148 L HN 0.161 nan 8.230 nan 0.000 0.435 149 Y N -0.602 119.598 120.300 -0.166 0.000 2.314 149 Y HA -0.111 4.439 4.550 -0.000 0.000 0.293 149 Y C 2.371 178.277 175.900 0.009 0.000 1.129 149 Y CA 1.084 59.158 58.100 -0.043 0.000 1.201 149 Y CB -0.157 38.316 38.460 0.022 0.000 0.999 149 Y HN 0.120 nan 8.280 nan 0.000 0.541 150 I N 0.267 120.752 120.570 -0.143 0.000 2.202 150 I HA -0.259 3.911 4.170 -0.000 0.000 0.242 150 I C 2.694 178.727 176.117 -0.141 0.000 1.091 150 I CA 1.280 62.471 61.300 -0.181 0.000 1.368 150 I CB -0.696 37.260 38.000 -0.072 0.000 1.058 150 I HN 0.308 nan 8.210 nan 0.000 0.410 151 A N 0.628 123.371 122.820 -0.128 0.000 1.883 151 A HA -0.267 4.053 4.320 -0.000 0.000 0.217 151 A C 2.444 180.038 177.584 0.018 0.000 1.186 151 A CA 1.921 53.911 52.037 -0.077 0.000 0.624 151 A CB -0.702 18.201 19.000 -0.162 0.000 0.822 151 A HN 0.359 nan 8.150 nan 0.000 0.444 152 R N -0.128 120.396 120.500 0.040 0.000 2.096 152 R HA -0.115 4.225 4.340 -0.000 0.000 0.235 152 R C 2.196 178.514 176.300 0.029 0.000 1.127 152 R CA 1.857 58.043 56.100 0.143 0.000 0.968 152 R CB -0.265 30.149 30.300 0.191 0.000 0.861 152 R HN 0.526 nan 8.270 nan 0.000 0.440 153 S N 0.785 116.448 115.700 -0.061 0.000 2.368 153 S HA -0.075 4.395 4.470 -0.000 0.000 0.224 153 S C 1.930 176.534 174.600 0.006 0.000 1.029 153 S CA 1.180 59.340 58.200 -0.066 0.000 0.988 153 S CB -0.185 62.890 63.200 -0.208 0.000 0.838 153 S HN 0.294 nan 8.310 nan 0.000 0.462 154 I N 1.602 122.180 120.570 0.013 0.000 2.208 154 I HA -0.218 3.952 4.170 -0.000 0.000 0.245 154 I C 2.031 178.250 176.117 0.171 0.000 1.097 154 I CA 1.322 62.670 61.300 0.080 0.000 1.363 154 I CB -0.499 37.533 38.000 0.055 0.000 1.051 154 I HN 0.238 nan 8.210 nan 0.000 0.413 155 I N 0.714 121.376 120.570 0.154 0.000 2.286 155 I HA -0.207 3.963 4.170 -0.000 0.000 0.248 155 I C 2.512 178.683 176.117 0.090 0.000 1.115 155 I CA 1.559 62.977 61.300 0.198 0.000 1.392 155 I CB -0.763 37.284 38.000 0.079 0.000 1.065 155 I HN 0.260 nan 8.210 nan 0.000 0.418 156 G N 0.562 109.393 108.800 0.051 0.000 2.679 156 G HA2 -0.137 3.823 3.960 -0.000 0.000 0.212 156 G HA3 -0.137 3.823 3.960 -0.000 0.000 0.212 156 G C 1.591 176.550 174.900 0.099 0.000 1.137 156 G CA 0.095 45.233 45.100 0.063 0.000 0.787 156 G HN 0.231 nan 8.290 nan 0.000 0.534 157 K N 0.433 120.899 120.400 0.111 0.000 2.280 157 K HA -0.030 4.290 4.320 -0.000 0.000 0.202 157 K C 1.508 178.172 176.600 0.106 0.000 1.047 157 K CA 0.728 57.076 56.287 0.103 0.000 0.942 157 K CB 0.013 32.580 32.500 0.112 0.000 0.739 157 K HN 0.261 nan 8.250 nan 0.000 0.457 158 K N 1.047 121.534 120.400 0.145 0.000 2.498 158 K HA 0.105 4.425 4.320 -0.000 0.000 0.207 158 K C -0.111 176.640 176.600 0.252 0.000 1.033 158 K CA -0.401 55.993 56.287 0.179 0.000 1.138 158 K CB 0.172 32.788 32.500 0.192 0.000 0.860 158 K HN -0.061 nan 8.250 nan 0.000 0.490 159 L N 1.569 122.891 121.223 0.165 0.000 2.593 159 L HA -0.016 4.324 4.340 -0.000 0.000 0.287 159 L C -0.396 176.589 176.870 0.193 0.000 1.243 159 L CA 0.795 55.738 54.840 0.171 0.000 0.890 159 L CB 0.248 42.400 42.059 0.154 0.000 1.134 159 L HN 0.205 nan 8.230 nan 0.000 0.502 160 A N 3.776 126.743 122.820 0.244 0.000 2.602 160 A HA 0.451 4.771 4.320 -0.000 0.000 0.290 160 A C 0.407 178.124 177.584 0.222 0.000 1.114 160 A CA -0.013 52.147 52.037 0.205 0.000 0.683 160 A CB 0.713 19.843 19.000 0.216 0.000 1.281 160 A HN 0.858 nan 8.150 nan 0.000 0.416 161 E N -0.255 120.045 120.200 0.166 0.000 2.409 161 E HA -0.177 4.173 4.350 -0.000 0.000 0.198 161 E C 0.073 176.817 176.600 0.240 0.000 1.024 161 E CA 1.578 58.085 56.400 0.179 0.000 0.861 161 E CB 0.086 29.864 29.700 0.130 0.000 0.788 161 E HN 0.520 nan 8.360 nan 0.000 0.521 162 D N -0.571 119.973 120.400 0.239 0.000 2.367 162 D HA 0.049 4.689 4.640 -0.000 0.000 0.207 162 D C -1.062 175.470 176.300 0.386 0.000 1.034 162 D CA 0.120 54.257 54.000 0.227 0.000 0.861 162 D CB 0.342 41.232 40.800 0.149 0.000 0.943 162 D HN 0.160 nan 8.370 nan 0.000 0.515 163 F N 1.526 121.617 119.950 0.235 0.000 3.361 163 F HA 0.287 4.814 4.527 -0.000 0.000 0.390 163 F C -2.140 173.847 175.800 0.312 0.000 1.251 163 F CA -1.015 57.125 58.000 0.233 0.000 1.260 163 F CB 0.308 39.397 39.000 0.149 0.000 1.847 163 F HN -0.231 nan 8.300 nan 0.000 0.673 164 Y N 4.648 124.936 120.300 -0.020 0.000 2.482 164 Y HA 0.676 5.226 4.550 -0.000 0.000 0.334 164 Y C -2.117 173.650 175.900 -0.221 0.000 1.091 164 Y CA -1.179 56.864 58.100 -0.096 0.000 1.027 164 Y CB 1.832 40.354 38.460 0.102 0.000 1.306 164 Y HN 0.147 nan 8.280 nan 0.000 0.446 165 V N 6.493 125.831 119.914 -0.959 0.000 2.328 165 V HA 0.124 4.244 4.120 -0.000 0.000 0.278 165 V C 0.644 175.999 176.094 -1.232 0.000 1.021 165 V CA -0.345 61.442 62.300 -0.855 0.000 0.838 165 V CB 0.405 31.933 31.823 -0.491 0.000 0.999 165 V HN 1.177 nan 8.190 nan 0.000 0.447 166 C N 2.825 121.493 119.300 -1.053 0.000 2.413 166 C HA 0.008 4.468 4.460 -0.000 0.000 0.276 166 C C 1.297 176.061 174.990 -0.376 0.000 1.248 166 C CA 0.891 59.508 59.018 -0.667 0.000 1.742 166 C CB -0.853 26.607 27.740 -0.466 0.000 2.017 166 C HN 0.957 nan 8.230 nan 0.000 0.481 167 S N -1.790 113.721 115.700 -0.315 0.000 2.543 167 S HA 0.604 5.074 4.470 -0.000 0.000 0.274 167 S C -1.311 173.250 174.600 -0.064 0.000 1.149 167 S CA -0.400 57.716 58.200 -0.141 0.000 0.866 167 S CB 1.438 64.585 63.200 -0.089 0.000 1.111 167 S HN 0.096 nan 8.310 nan 0.000 0.457 168 F N 2.243 122.116 119.950 -0.129 0.000 3.090 168 F HA 0.745 5.272 4.527 -0.000 0.000 0.381 168 F C -0.422 175.337 175.800 -0.068 0.000 1.231 168 F CA -0.487 57.446 58.000 -0.112 0.000 1.177 168 F CB 1.170 40.105 39.000 -0.108 0.000 1.598 168 F HN 0.977 nan 8.300 nan 0.000 0.589 169 S N 2.481 118.305 115.700 0.207 0.000 2.550 169 S HA 0.443 4.913 4.470 -0.000 0.000 0.270 169 S C 0.113 174.738 174.600 0.042 0.000 1.145 169 S CA -0.276 57.960 58.200 0.060 0.000 0.852 169 S CB 1.070 64.296 63.200 0.044 0.000 1.119 169 S HN 0.729 nan 8.310 nan 0.000 0.465 170 C N 3.070 122.369 119.300 -0.002 0.000 2.525 170 C HA 0.635 5.095 4.460 -0.000 0.000 0.313 170 C C 1.207 176.199 174.990 0.003 0.000 1.311 170 C CA -0.450 58.564 59.018 -0.008 0.000 1.725 170 C CB -1.936 25.783 27.740 -0.034 0.000 1.926 170 C HN 0.850 nan 8.230 nan 0.000 0.595 171 R N 0.463 120.977 120.500 0.024 0.000 2.663 171 R HA 0.190 4.530 4.340 -0.000 0.000 0.199 171 R C 0.519 176.886 176.300 0.111 0.000 0.870 171 R CA 1.068 57.200 56.100 0.054 0.000 1.040 171 R CB 0.591 30.915 30.300 0.039 0.000 1.524 171 R HN 0.606 nan 8.270 nan 0.000 0.643 172 T N -1.628 112.990 114.554 0.105 0.000 2.907 172 T HA 0.713 5.063 4.350 -0.000 0.000 0.290 172 T C -0.584 174.160 174.700 0.074 0.000 1.066 172 T CA -0.697 61.490 62.100 0.146 0.000 1.012 172 T CB 2.305 71.302 68.868 0.216 0.000 1.184 172 T HN 0.075 nan 8.240 nan 0.000 0.522 173 I N 0.396 121.008 120.570 0.069 0.000 2.918 173 I HA 0.681 4.851 4.170 -0.000 0.000 0.301 173 I C -1.917 174.229 176.117 0.049 0.000 1.312 173 I CA -1.181 60.132 61.300 0.021 0.000 1.007 173 I CB 2.174 40.184 38.000 0.017 0.000 1.281 173 I HN 0.647 nan 8.210 nan 0.000 0.440 174 V N 6.134 126.022 119.914 -0.042 0.000 2.487 174 V HA 0.431 4.551 4.120 -0.000 0.000 0.298 174 V C -1.438 174.602 176.094 -0.090 0.000 1.028 174 V CA -0.447 61.857 62.300 0.008 0.000 0.860 174 V CB 1.628 33.453 31.823 0.004 0.000 0.991 174 V HN 0.518 nan 8.190 nan 0.000 0.427 175 Y N 4.942 125.214 120.300 -0.047 0.000 2.388 175 Y HA 0.614 5.164 4.550 -0.000 0.000 0.328 175 Y C 0.325 176.265 175.900 0.068 0.000 0.963 175 Y CA -0.561 57.419 58.100 -0.201 0.000 1.240 175 Y CB 1.449 39.654 38.460 -0.425 0.000 1.118 175 Y HN 0.639 nan 8.280 nan 0.000 0.484 176 K N 1.902 122.580 120.400 0.463 0.000 2.532 176 K HA 0.969 5.289 4.320 -0.000 0.000 0.265 176 K C -1.004 175.998 176.600 0.670 0.000 0.948 176 K CA -1.107 55.483 56.287 0.505 0.000 0.842 176 K CB 2.641 35.346 32.500 0.342 0.000 1.392 176 K HN 0.668 nan 8.250 nan 0.000 0.436 177 G N 0.830 109.774 108.800 0.239 0.000 2.548 177 G HA2 0.343 4.303 3.960 -0.000 0.000 0.301 177 G HA3 0.343 4.303 3.960 -0.000 0.000 0.301 177 G C -1.109 173.325 174.900 -0.777 0.000 1.349 177 G CA -1.014 43.830 45.100 -0.428 0.000 0.792 177 G HN 0.361 nan 8.290 nan 0.000 0.481 178 M N 2.019 120.668 119.600 -1.585 0.000 3.237 178 M HA 0.362 4.842 4.480 -0.000 0.000 0.266 178 M C 0.151 176.075 176.300 -0.626 0.000 1.456 178 M CA -0.471 54.267 55.300 -0.936 0.000 1.593 178 M CB -1.025 30.996 32.600 -0.965 0.000 1.129 178 M HN 0.700 nan 8.290 nan 0.000 0.547 179 V N 0.244 119.919 119.914 -0.399 0.000 3.114 179 V HA 0.662 4.782 4.120 -0.000 0.000 0.308 179 V C -0.059 175.954 176.094 -0.135 0.000 1.168 179 V CA -1.375 60.775 62.300 -0.250 0.000 1.015 179 V CB 2.291 33.988 31.823 -0.209 0.000 1.050 179 V HN 0.602 nan 8.190 nan 0.000 0.433 180 R N 1.356 121.799 120.500 -0.094 0.000 2.641 180 R HA 0.379 4.719 4.340 -0.000 0.000 0.269 180 R C 1.524 177.810 176.300 -0.025 0.000 1.074 180 R CA 0.416 56.482 56.100 -0.057 0.000 1.133 180 R CB 0.975 31.247 30.300 -0.045 0.000 1.029 180 R HN 0.957 nan 8.270 nan 0.000 0.488 181 S N 2.366 118.059 115.700 -0.013 0.000 2.401 181 S HA -0.226 4.244 4.470 -0.000 0.000 0.236 181 S C 1.833 176.438 174.600 0.009 0.000 1.058 181 S CA 1.974 60.175 58.200 0.002 0.000 1.151 181 S CB -0.308 62.887 63.200 -0.008 0.000 1.049 181 S HN 0.761 nan 8.310 nan 0.000 0.432 182 I N -0.423 120.151 120.570 0.006 0.000 3.334 182 I HA 0.012 4.182 4.170 -0.000 0.000 0.282 182 I C 1.118 177.254 176.117 0.032 0.000 1.313 182 I CA 1.292 62.601 61.300 0.014 0.000 1.396 182 I CB -0.833 37.174 38.000 0.012 0.000 1.054 182 I HN 0.207 nan 8.210 nan 0.000 0.495 183 I N 0.401 120.990 120.570 0.033 0.000 3.427 183 I HA -0.066 4.104 4.170 -0.000 0.000 0.288 183 I C 2.271 178.455 176.117 0.112 0.000 1.249 183 I CA 0.393 61.725 61.300 0.054 0.000 1.421 183 I CB -0.616 37.392 38.000 0.012 0.000 1.086 183 I HN 0.269 nan 8.210 nan 0.000 0.448 184 L N 1.888 123.180 121.223 0.115 0.000 1.990 184 L HA -0.133 4.207 4.340 -0.000 0.000 0.213 184 L C 2.286 179.319 176.870 0.272 0.000 1.072 184 L CA 2.371 57.341 54.840 0.217 0.000 0.755 184 L CB -1.134 41.034 42.059 0.183 0.000 0.889 184 L HN 0.231 nan 8.230 nan 0.000 0.432 185 G N -2.202 106.689 108.800 0.151 0.000 2.623 185 G HA2 -0.104 3.856 3.960 -0.000 0.000 0.214 185 G HA3 -0.104 3.856 3.960 -0.000 0.000 0.214 185 G C 1.372 176.339 174.900 0.112 0.000 1.138 185 G CA 0.099 45.265 45.100 0.110 0.000 0.794 185 G HN 0.352 nan 8.290 nan 0.000 0.535 186 E N -0.062 120.212 120.200 0.123 0.000 2.216 186 E HA -0.002 4.348 4.350 -0.000 0.000 0.192 186 E C 1.760 178.444 176.600 0.141 0.000 0.988 186 E CA 0.260 56.727 56.400 0.110 0.000 0.834 186 E CB -0.082 29.675 29.700 0.095 0.000 0.772 186 E HN 0.533 nan 8.360 nan 0.000 0.479 187 F N -0.195 119.767 119.950 0.019 0.000 2.262 187 F HA 0.018 4.545 4.527 -0.000 0.000 0.292 187 F C 0.512 176.274 175.800 -0.063 0.000 1.081 187 F CA 0.397 58.367 58.000 -0.048 0.000 1.355 187 F CB 0.119 39.052 39.000 -0.112 0.000 1.069 187 F HN -0.190 nan 8.300 nan 0.000 0.506 188 Y N 2.233 122.542 120.300 0.015 0.000 2.595 188 Y HA 0.161 4.711 4.550 -0.000 0.000 0.347 188 Y C 1.164 177.025 175.900 -0.065 0.000 1.025 188 Y CA -0.732 57.331 58.100 -0.062 0.000 1.295 188 Y CB 0.649 39.183 38.460 0.123 0.000 1.147 188 Y HN 0.035 nan 8.280 nan 0.000 0.515 189 L N 2.009 123.274 121.223 0.069 0.000 2.191 189 L HA -0.203 4.137 4.340 -0.000 0.000 0.212 189 L C 1.336 178.245 176.870 0.066 0.000 1.103 189 L CA 1.468 56.339 54.840 0.053 0.000 0.769 189 L CB -0.385 41.694 42.059 0.035 0.000 0.908 189 L HN 0.723 nan 8.230 nan 0.000 0.438 190 D N -0.112 120.341 120.400 0.088 0.000 2.149 190 D HA -0.185 4.455 4.640 -0.000 0.000 0.198 190 D C 2.150 178.443 176.300 -0.013 0.000 0.990 190 D CA 0.875 54.932 54.000 0.095 0.000 0.839 190 D CB 0.090 40.980 40.800 0.151 0.000 0.948 190 D HN 0.164 nan 8.370 nan 0.000 0.460 191 L N 0.550 121.646 121.223 -0.213 0.000 2.275 191 L HA -0.073 4.267 4.340 -0.000 0.000 0.215 191 L C 1.939 178.788 176.870 -0.035 0.000 1.119 191 L CA 1.326 55.962 54.840 -0.340 0.000 0.790 191 L CB -0.393 41.472 42.059 -0.324 0.000 0.919 191 L HN -0.078 nan 8.230 nan 0.000 0.443 192 K N -0.940 119.489 120.400 0.049 0.000 2.358 192 K HA 0.122 4.442 4.320 -0.000 0.000 0.197 192 K C 0.566 177.199 176.600 0.056 0.000 1.025 192 K CA -0.166 56.190 56.287 0.114 0.000 1.104 192 K CB -0.020 32.521 32.500 0.068 0.000 0.855 192 K HN 0.209 nan 8.250 nan 0.000 0.531 193 N N 3.262 121.982 118.700 0.032 0.000 2.452 193 N HA 0.000 4.740 4.740 -0.000 0.000 0.266 193 N C -1.871 173.479 175.510 -0.267 0.000 1.209 193 N CA -1.074 51.951 53.050 -0.042 0.000 0.929 193 N CB 1.388 39.908 38.487 0.055 0.000 1.063 193 N HN -0.097 nan 8.380 nan 0.000 0.472 194 P HA 0.007 nan 4.420 nan 0.000 0.230 194 P C 1.065 178.201 177.300 -0.274 0.000 1.158 194 P CA 0.601 63.304 63.100 -0.661 0.000 0.769 194 P CB 0.024 31.535 31.700 -0.314 0.000 0.807 195 G N -1.506 107.233 108.800 -0.101 0.000 2.559 195 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.216 195 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.216 195 G C 0.164 175.099 174.900 0.059 0.000 1.126 195 G CA -0.101 44.997 45.100 -0.003 0.000 0.778 195 G HN 0.293 nan 8.290 nan 0.000 0.543 196 Y N 2.772 123.082 120.300 0.015 0.000 2.531 196 Y HA 0.388 4.938 4.550 -0.000 0.000 0.347 196 Y C 0.482 176.485 175.900 0.172 0.000 1.024 196 Y CA -0.235 57.921 58.100 0.094 0.000 1.306 196 Y CB 0.594 39.113 38.460 0.099 0.000 1.149 196 Y HN 0.053 nan 8.280 nan 0.000 0.527 197 T N 1.590 116.260 114.554 0.193 0.000 2.900 197 T HA 0.672 5.022 4.350 -0.000 0.000 0.295 197 T C -0.787 173.975 174.700 0.103 0.000 1.044 197 T CA -0.909 61.303 62.100 0.187 0.000 0.995 197 T CB 1.785 70.719 68.868 0.111 0.000 1.072 197 T HN 0.481 nan 8.240 nan 0.000 0.473 198 S N 0.714 116.476 115.700 0.104 0.000 2.535 198 S HA 0.363 4.833 4.470 -0.000 0.000 0.272 198 S C 0.340 174.964 174.600 0.040 0.000 1.149 198 S CA -0.812 57.402 58.200 0.024 0.000 0.888 198 S CB 1.390 64.564 63.200 -0.043 0.000 1.110 198 S HN 0.740 nan 8.310 nan 0.000 0.463 199 N N 1.509 120.255 118.700 0.076 0.000 2.396 199 N HA 0.094 4.834 4.740 -0.000 0.000 0.180 199 N C 0.160 175.782 175.510 0.187 0.000 1.028 199 N CA 1.090 54.219 53.050 0.130 0.000 0.893 199 N CB -0.074 38.505 38.487 0.154 0.000 0.967 199 N HN 0.658 nan 8.380 nan 0.000 0.440 200 F N -1.186 118.781 119.950 0.029 0.000 2.643 200 F HA 0.776 5.303 4.527 -0.000 0.000 0.314 200 F C -1.549 174.301 175.800 0.082 0.000 1.096 200 F CA -1.390 56.630 58.000 0.033 0.000 0.953 200 F CB 1.354 40.345 39.000 -0.015 0.000 1.345 200 F HN -0.220 nan 8.300 nan 0.000 0.468 201 A N 1.888 124.792 122.820 0.142 0.000 2.459 201 A HA 0.707 5.027 4.320 -0.000 0.000 0.296 201 A C -2.025 175.764 177.584 0.341 0.000 1.039 201 A CA -0.778 51.311 52.037 0.087 0.000 0.698 201 A CB 1.492 20.544 19.000 0.088 0.000 1.261 201 A HN 0.843 nan 8.150 nan 0.000 0.405 202 V N 3.464 123.559 119.914 0.303 0.000 2.427 202 V HA 0.588 4.708 4.120 -0.000 0.000 0.286 202 V C -0.614 175.611 176.094 0.219 0.000 1.034 202 V CA -0.269 62.173 62.300 0.237 0.000 0.893 202 V CB 0.797 32.741 31.823 0.201 0.000 0.982 202 V HN 0.895 nan 8.190 nan 0.000 0.452 203 Y N 2.331 122.733 120.300 0.170 0.000 2.570 203 Y HA 0.833 5.383 4.550 -0.000 0.000 0.345 203 Y C -0.586 175.426 175.900 0.187 0.000 1.014 203 Y CA -1.258 56.930 58.100 0.145 0.000 1.063 203 Y CB 1.634 40.147 38.460 0.088 0.000 1.272 203 Y HN 0.668 nan 8.280 nan 0.000 0.477 204 H N 1.989 121.220 119.070 0.268 0.000 3.087 204 H HA 0.442 4.998 4.556 -0.000 0.000 0.348 204 H C -1.843 173.584 175.328 0.166 0.000 1.092 204 H CA -0.702 55.444 56.048 0.162 0.000 1.285 204 H CB 2.060 31.886 29.762 0.106 0.000 1.875 204 H HN 0.882 nan 8.280 nan 0.000 0.512 205 R N 3.244 123.731 120.500 -0.023 0.000 2.437 205 R HA 0.386 4.726 4.340 -0.000 0.000 0.310 205 R C -1.079 175.195 176.300 -0.042 0.000 0.955 205 R CA -0.717 55.400 56.100 0.027 0.000 0.851 205 R CB 0.944 31.240 30.300 -0.007 0.000 1.161 205 R HN 0.671 nan 8.270 nan 0.000 0.446 206 R N 4.154 124.735 120.500 0.135 0.000 2.474 206 R HA 0.409 4.749 4.340 -0.000 0.000 0.295 206 R C -1.359 175.036 176.300 0.159 0.000 0.980 206 R CA -0.462 55.769 56.100 0.218 0.000 0.934 206 R CB 0.867 31.321 30.300 0.255 0.000 1.101 206 R HN 0.653 nan 8.270 nan 0.000 0.469 207 F N 4.108 124.074 119.950 0.026 0.000 2.403 207 F HA 0.344 4.871 4.527 -0.000 0.000 0.355 207 F C -0.565 175.249 175.800 0.023 0.000 1.119 207 F CA -0.652 57.351 58.000 0.005 0.000 1.007 207 F CB 1.422 40.412 39.000 -0.017 0.000 1.194 207 F HN 0.688 nan 8.300 nan 0.000 0.443 208 S N 2.192 118.113 115.700 0.368 0.000 2.638 208 S HA 0.291 4.761 4.470 -0.000 0.000 0.298 208 S C 0.537 175.326 174.600 0.315 0.000 1.111 208 S CA -0.053 58.311 58.200 0.273 0.000 1.027 208 S CB 1.565 64.839 63.200 0.123 0.000 1.064 208 S HN 0.728 nan 8.310 nan 0.000 0.525 209 T N -0.615 114.061 114.554 0.204 0.000 3.366 209 T HA 0.250 4.600 4.350 -0.000 0.000 0.249 209 T C 0.118 174.881 174.700 0.105 0.000 1.028 209 T CA -0.215 61.985 62.100 0.168 0.000 0.938 209 T CB -1.602 67.328 68.868 0.103 0.000 1.046 209 T HN 0.853 nan 8.240 nan 0.000 0.587 210 N N -1.544 117.205 118.700 0.081 0.000 3.157 210 N HA 0.393 5.133 4.740 -0.000 0.000 0.291 210 N C -0.040 175.477 175.510 0.013 0.000 1.515 210 N CA -0.938 52.136 53.050 0.041 0.000 0.807 210 N CB 1.009 39.515 38.487 0.032 0.000 1.672 210 N HN -0.162 nan 8.380 nan 0.000 0.592 211 T N -0.729 113.826 114.554 0.001 0.000 3.040 211 T HA 0.340 4.690 4.350 -0.000 0.000 0.266 211 T C -0.447 174.245 174.700 -0.014 0.000 1.005 211 T CA 0.122 62.213 62.100 -0.015 0.000 0.906 211 T CB -0.312 68.548 68.868 -0.014 0.000 1.082 211 T HN 0.454 nan 8.240 nan 0.000 0.531 212 M N 3.631 123.229 119.600 -0.003 0.000 2.065 212 M HA 0.359 4.839 4.480 -0.000 0.000 0.332 212 M C -2.607 173.699 176.300 0.010 0.000 0.988 212 M CA -2.065 53.238 55.300 0.006 0.000 0.944 212 M CB 1.401 34.009 32.600 0.014 0.000 1.357 212 M HN -0.206 nan 8.290 nan 0.000 0.388 213 P HA 0.107 nan 4.420 nan 0.000 0.267 213 P C -1.030 176.297 177.300 0.044 0.000 1.205 213 P CA 0.078 63.164 63.100 -0.023 0.000 0.765 213 P CB 0.688 32.341 31.700 -0.077 0.000 0.828 214 K N 2.604 123.033 120.400 0.048 0.000 2.463 214 K HA 0.191 4.511 4.320 -0.000 0.000 0.255 214 K C 0.318 177.018 176.600 0.166 0.000 0.942 214 K CA -0.476 55.896 56.287 0.140 0.000 0.814 214 K CB 0.840 33.399 32.500 0.099 0.000 1.122 214 K HN 0.295 nan 8.250 nan 0.000 0.425 215 W N 3.076 124.397 121.300 0.034 0.000 2.321 215 W HA -0.121 4.539 4.660 -0.000 0.000 0.306 215 W C -0.922 175.771 176.519 0.289 0.000 1.217 215 W CA 1.105 58.514 57.345 0.107 0.000 1.257 215 W CB -1.175 28.226 29.460 -0.098 0.000 1.145 215 W HN 0.607 nan 8.180 nan 0.000 0.509 216 P HA -0.116 nan 4.420 nan 0.000 0.226 216 P C 1.463 178.710 177.300 -0.089 0.000 1.153 216 P CA 1.339 64.312 63.100 -0.211 0.000 0.777 216 P CB -0.206 31.000 31.700 -0.822 0.000 0.794 217 L N -1.885 119.368 121.223 0.050 0.000 2.478 217 L HA 0.084 4.423 4.340 -0.000 0.000 0.223 217 L C 1.305 178.216 176.870 0.068 0.000 1.140 217 L CA -0.332 54.554 54.840 0.075 0.000 0.842 217 L CB -0.788 41.314 42.059 0.071 0.000 0.953 217 L HN -0.055 nan 8.230 nan 0.000 0.452 218 A N 0.310 123.176 122.820 0.076 0.000 2.429 218 A HA 0.243 4.563 4.320 -0.000 0.000 0.242 218 A C 0.123 177.732 177.584 0.042 0.000 1.088 218 A CA 0.311 52.388 52.037 0.066 0.000 0.784 218 A CB 0.317 19.372 19.000 0.092 0.000 1.038 218 A HN 0.347 nan 8.150 nan 0.000 0.501 219 Q N -0.177 119.609 119.800 -0.024 0.000 2.496 219 Q HA 0.456 4.796 4.340 -0.000 0.000 0.286 219 Q C -2.671 173.339 176.000 0.017 0.000 1.103 219 Q CA -2.093 53.625 55.803 -0.141 0.000 0.813 219 Q CB 1.489 29.840 28.738 -0.646 0.000 1.444 219 Q HN 0.462 nan 8.270 nan 0.000 0.443 220 P HA -0.023 nan 4.420 nan 0.000 0.270 220 P C -0.364 176.940 177.300 0.007 0.000 1.223 220 P CA 0.125 63.229 63.100 0.005 0.000 0.785 220 P CB 0.526 32.273 31.700 0.078 0.000 0.923 221 M N 1.611 121.199 119.600 -0.020 0.000 2.014 221 M HA 0.163 4.643 4.480 -0.000 0.000 0.182 221 M C 1.795 178.073 176.300 -0.037 0.000 1.082 221 M CA 0.350 55.623 55.300 -0.045 0.000 1.340 221 M CB -0.891 31.652 32.600 -0.095 0.000 1.026 221 M HN 0.189 nan 8.290 nan 0.000 0.680 222 R N -0.455 120.000 120.500 -0.075 0.000 2.090 222 R HA 0.036 4.376 4.340 -0.000 0.000 0.228 222 R C 1.685 177.971 176.300 -0.022 0.000 1.110 222 R CA 1.167 57.234 56.100 -0.055 0.000 0.973 222 R CB -0.428 29.835 30.300 -0.060 0.000 0.869 222 R HN 0.290 nan 8.270 nan 0.000 0.440 223 L N -1.524 119.683 121.223 -0.027 0.000 2.840 223 L HA 0.425 4.765 4.340 -0.000 0.000 0.249 223 L C -0.421 176.482 176.870 0.055 0.000 1.119 223 L CA 0.235 55.070 54.840 -0.009 0.000 0.930 223 L CB 0.613 42.627 42.059 -0.075 0.000 1.295 223 L HN 0.034 nan 8.230 nan 0.000 0.534 224 L N -1.384 119.868 121.223 0.049 0.000 2.434 224 L HA 0.879 5.219 4.340 -0.000 0.000 0.260 224 L C -0.706 176.212 176.870 0.081 0.000 0.983 224 L CA -0.455 54.448 54.840 0.105 0.000 0.820 224 L CB 2.040 44.156 42.059 0.095 0.000 1.361 224 L HN -0.052 nan 8.230 nan 0.000 0.410 225 G N 0.817 109.687 108.800 0.116 0.000 2.420 225 G HA2 0.470 4.430 3.960 -0.000 0.000 0.331 225 G HA3 0.470 4.430 3.960 -0.000 0.000 0.331 225 G C -1.925 173.129 174.900 0.256 0.000 1.168 225 G CA -0.332 44.846 45.100 0.130 0.000 0.936 225 G HN 0.897 nan 8.290 nan 0.000 0.479 226 H N 1.497 120.667 119.070 0.166 0.000 3.013 226 H HA 0.271 4.827 4.556 -0.000 0.000 0.326 226 H C -1.231 174.279 175.328 0.303 0.000 0.973 226 H CA -0.587 55.574 56.048 0.187 0.000 1.369 226 H CB 1.296 31.135 29.762 0.128 0.000 1.598 226 H HN 0.560 nan 8.280 nan 0.000 0.518 227 N N 4.245 122.966 118.700 0.036 0.000 2.426 227 N HA 0.448 5.188 4.740 -0.000 0.000 0.257 227 N C -0.345 174.985 175.510 -0.301 0.000 1.002 227 N CA 0.367 53.343 53.050 -0.123 0.000 0.942 227 N CB 1.095 39.553 38.487 -0.048 0.000 1.112 227 N HN 0.956 nan 8.380 nan 0.000 0.499 228 G N 2.048 110.584 108.800 -0.440 0.000 2.340 228 G HA2 0.000 3.960 3.960 -0.000 0.000 0.282 228 G HA3 0.000 3.960 3.960 -0.000 0.000 0.282 228 G C -2.003 172.795 174.900 -0.170 0.000 1.312 228 G CA -0.715 44.245 45.100 -0.232 0.000 0.942 228 G HN 0.475 nan 8.290 nan 0.000 0.495 229 E N -0.489 119.766 120.200 0.091 0.000 2.331 229 E HA 0.445 4.795 4.350 -0.000 0.000 0.275 229 E C -0.820 175.918 176.600 0.231 0.000 0.895 229 E CA -0.827 55.678 56.400 0.176 0.000 0.753 229 E CB 2.312 32.066 29.700 0.091 0.000 1.216 229 E HN 0.383 nan 8.360 nan 0.000 0.434 230 I N 3.270 123.986 120.570 0.244 0.000 2.352 230 I HA 0.041 4.211 4.170 -0.000 0.000 0.290 230 I C 1.189 177.367 176.117 0.101 0.000 1.036 230 I CA -0.341 61.072 61.300 0.189 0.000 1.336 230 I CB 0.058 38.187 38.000 0.216 0.000 1.407 230 I HN 0.456 nan 8.210 nan 0.000 0.497 231 N N 2.796 121.546 118.700 0.083 0.000 2.336 231 N HA -0.059 4.681 4.740 -0.000 0.000 0.189 231 N C 0.630 176.151 175.510 0.018 0.000 1.113 231 N CA 0.075 53.154 53.050 0.049 0.000 0.858 231 N CB -0.047 38.474 38.487 0.057 0.000 0.970 231 N HN 0.612 nan 8.380 nan 0.000 0.471 232 T N -3.587 110.961 114.554 -0.010 0.000 3.393 232 T HA 0.236 4.586 4.350 -0.000 0.000 0.298 232 T C 0.902 175.506 174.700 -0.160 0.000 1.004 232 T CA -0.550 61.515 62.100 -0.057 0.000 0.956 232 T CB -0.430 68.427 68.868 -0.019 0.000 1.182 232 T HN 0.010 nan 8.240 nan 0.000 0.497 233 L N 1.460 122.593 121.223 -0.149 0.000 2.042 233 L HA 0.088 4.428 4.340 -0.000 0.000 0.210 233 L C 2.110 178.833 176.870 -0.245 0.000 1.076 233 L CA 1.512 56.216 54.840 -0.227 0.000 0.749 233 L CB -0.554 41.446 42.059 -0.098 0.000 0.893 233 L HN 0.425 nan 8.230 nan 0.000 0.432 234 L N -0.808 120.313 121.223 -0.169 0.000 2.046 234 L HA -0.077 4.263 4.340 -0.000 0.000 0.208 234 L C 2.261 178.998 176.870 -0.222 0.000 1.077 234 L CA 2.123 56.867 54.840 -0.160 0.000 0.747 234 L CB -1.802 40.190 42.059 -0.113 0.000 0.896 234 L HN 0.415 nan 8.230 nan 0.000 0.432 235 G N 0.324 108.987 108.800 -0.230 0.000 2.433 235 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.216 235 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.216 235 G C 1.344 176.095 174.900 -0.248 0.000 1.186 235 G CA 0.688 45.632 45.100 -0.259 0.000 0.779 235 G HN 0.454 nan 8.290 nan 0.000 0.543 236 N N 0.697 119.206 118.700 -0.318 0.000 2.166 236 N HA -0.050 4.690 4.740 -0.000 0.000 0.186 236 N C 2.228 177.512 175.510 -0.376 0.000 1.019 236 N CA 0.804 53.547 53.050 -0.513 0.000 0.856 236 N CB -0.204 37.394 38.487 -1.482 0.000 0.993 236 N HN 0.355 nan 8.380 nan 0.000 0.426 237 I N 1.376 121.731 120.570 -0.357 0.000 2.202 237 I HA -0.237 3.933 4.170 -0.000 0.000 0.242 237 I C 1.742 177.793 176.117 -0.111 0.000 1.091 237 I CA 0.859 62.064 61.300 -0.159 0.000 1.368 237 I CB -0.212 37.712 38.000 -0.127 0.000 1.058 237 I HN 0.051 nan 8.210 nan 0.000 0.410 238 N N 0.297 118.864 118.700 -0.222 0.000 2.069 238 N HA -0.212 4.528 4.740 -0.000 0.000 0.191 238 N C 1.581 176.939 175.510 -0.254 0.000 1.031 238 N CA 1.574 54.444 53.050 -0.300 0.000 0.852 238 N CB -0.481 37.731 38.487 -0.458 0.000 1.018 238 N HN 0.433 nan 8.380 nan 0.000 0.423 239 W N 0.715 121.979 121.300 -0.059 0.000 2.355 239 W HA -0.100 4.559 4.660 -0.000 0.000 0.309 239 W C 2.451 178.976 176.519 0.011 0.000 1.206 239 W CA 0.205 57.534 57.345 -0.027 0.000 1.284 239 W CB -0.437 29.012 29.460 -0.018 0.000 1.145 239 W HN 0.058 nan 8.180 nan 0.000 0.502 240 M N 1.175 120.943 119.600 0.279 0.000 2.117 240 M HA -0.076 4.404 4.480 -0.000 0.000 0.262 240 M C 2.085 178.469 176.300 0.141 0.000 1.065 240 M CA 2.266 57.705 55.300 0.232 0.000 1.114 240 M CB -0.857 31.933 32.600 0.316 0.000 1.361 240 M HN -0.032 nan 8.290 nan 0.000 0.408 241 A N -0.540 122.333 122.820 0.088 0.000 2.015 241 A HA 0.153 4.473 4.320 -0.000 0.000 0.219 241 A C 2.271 179.874 177.584 0.032 0.000 1.163 241 A CA 1.598 53.660 52.037 0.043 0.000 0.646 241 A CB -1.206 17.794 19.000 0.000 0.000 0.806 241 A HN 0.630 nan 8.150 nan 0.000 0.448 242 A N -0.342 122.507 122.820 0.047 0.000 2.066 242 A HA -0.036 4.284 4.320 -0.000 0.000 0.218 242 A C 2.149 179.771 177.584 0.063 0.000 1.157 242 A CA 1.023 53.089 52.037 0.048 0.000 0.670 242 A CB -0.319 18.728 19.000 0.078 0.000 0.804 242 A HN 0.543 nan 8.150 nan 0.000 0.453 243 R N -0.294 120.253 120.500 0.079 0.000 2.153 243 R HA -0.026 4.314 4.340 -0.000 0.000 0.218 243 R C 1.727 178.044 176.300 0.030 0.000 1.072 243 R CA 1.038 57.170 56.100 0.055 0.000 0.990 243 R CB -0.187 30.151 30.300 0.062 0.000 0.889 243 R HN 0.641 nan 8.270 nan 0.000 0.452 244 E N 0.942 121.161 120.200 0.033 0.000 2.130 244 E HA -0.230 4.120 4.350 -0.000 0.000 0.196 244 E C 1.747 178.352 176.600 0.009 0.000 0.998 244 E CA 1.232 57.644 56.400 0.019 0.000 0.806 244 E CB 0.022 29.738 29.700 0.026 0.000 0.738 244 E HN 0.191 nan 8.360 nan 0.000 0.459 245 K N 0.572 120.978 120.400 0.010 0.000 2.155 245 K HA -0.070 4.250 4.320 -0.000 0.000 0.203 245 K C 1.055 177.658 176.600 0.005 0.000 1.052 245 K CA 0.805 57.096 56.287 0.007 0.000 0.948 245 K CB 0.341 32.844 32.500 0.005 0.000 0.728 245 K HN -0.028 nan 8.250 nan 0.000 0.448 246 E N 0.829 121.031 120.200 0.004 0.000 2.651 246 E HA 0.101 4.451 4.350 -0.000 0.000 0.213 246 E C -0.794 175.800 176.600 -0.010 0.000 1.028 246 E CA -0.157 56.242 56.400 -0.000 0.000 1.183 246 E CB 0.412 30.113 29.700 0.001 0.000 1.188 246 E HN 0.236 nan 8.360 nan 0.000 0.444 247 L N 1.500 122.712 121.223 -0.018 0.000 2.453 247 L HA 0.165 4.505 4.340 -0.000 0.000 0.272 247 L C 0.382 177.229 176.870 -0.039 0.000 1.182 247 L CA 0.776 55.590 54.840 -0.044 0.000 0.858 247 L CB 0.378 42.396 42.059 -0.068 0.000 1.120 247 L HN 0.123 nan 8.230 nan 0.000 0.474 248 E N 2.918 123.087 120.200 -0.052 0.000 2.311 248 E HA 0.574 4.924 4.350 -0.000 0.000 0.281 248 E C -1.911 174.666 176.600 -0.039 0.000 0.905 248 E CA -0.537 55.849 56.400 -0.024 0.000 0.778 248 E CB 2.127 31.822 29.700 -0.008 0.000 1.240 248 E HN 0.302 nan 8.360 nan 0.000 0.410 249 V N 1.581 121.492 119.914 -0.004 0.000 2.932 249 V HA 0.422 4.542 4.120 -0.000 0.000 0.307 249 V C -0.040 176.153 176.094 0.166 0.000 1.147 249 V CA -1.164 61.153 62.300 0.029 0.000 0.951 249 V CB 1.549 33.306 31.823 -0.110 0.000 1.031 249 V HN 0.755 nan 8.190 nan 0.000 0.426 250 S N 1.336 117.128 115.700 0.152 0.000 2.549 250 S HA 0.524 4.994 4.470 -0.000 0.000 0.279 250 S C 1.155 175.880 174.600 0.209 0.000 1.321 250 S CA 0.407 58.698 58.200 0.152 0.000 1.054 250 S CB 0.830 64.090 63.200 0.100 0.000 0.899 250 S HN 2.752 nan 8.310 nan 0.000 0.497 251 G N 1.451 110.339 108.800 0.145 0.000 2.221 251 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.265 251 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.265 251 G C -0.553 174.382 174.900 0.059 0.000 1.041 251 G CA 0.078 45.224 45.100 0.078 0.000 0.807 251 G HN 0.766 nan 8.290 nan 0.000 0.502 252 W N -0.133 121.175 121.300 0.013 0.000 3.042 252 W HA 0.576 5.236 4.660 -0.000 0.000 0.337 252 W C 0.682 177.207 176.519 0.010 0.000 1.086 252 W CA -0.108 57.246 57.345 0.015 0.000 1.236 252 W CB 1.192 30.666 29.460 0.025 0.000 1.381 252 W HN 0.502 nan 8.180 nan 0.000 0.472 253 T N -0.823 113.855 114.554 0.206 0.000 2.849 253 T HA 0.229 4.579 4.350 -0.000 0.000 0.284 253 T C 1.033 175.834 174.700 0.168 0.000 1.004 253 T CA -0.459 61.726 62.100 0.141 0.000 1.021 253 T CB 1.611 70.520 68.868 0.069 0.000 1.013 253 T HN 0.528 nan 8.240 nan 0.000 0.527 254 K N 0.212 120.676 120.400 0.106 0.000 2.211 254 K HA -0.019 4.301 4.320 -0.000 0.000 0.203 254 K C 2.297 178.947 176.600 0.083 0.000 1.050 254 K CA 1.001 57.339 56.287 0.086 0.000 0.945 254 K CB -0.650 31.883 32.500 0.054 0.000 0.732 254 K HN 0.761 nan 8.250 nan 0.000 0.451 255 A N 1.052 123.919 122.820 0.078 0.000 1.968 255 A HA -0.124 4.196 4.320 -0.000 0.000 0.217 255 A C 1.720 179.356 177.584 0.088 0.000 1.169 255 A CA 1.144 53.220 52.037 0.064 0.000 0.638 255 A CB -0.178 18.848 19.000 0.042 0.000 0.812 255 A HN 0.347 nan 8.150 nan 0.000 0.446 256 E N -0.314 119.970 120.200 0.140 0.000 2.152 256 E HA -0.024 4.326 4.350 -0.000 0.000 0.192 256 E C 1.783 178.569 176.600 0.309 0.000 0.983 256 E CA 0.695 57.225 56.400 0.216 0.000 0.818 256 E CB -0.147 29.694 29.700 0.235 0.000 0.758 256 E HN 0.593 nan 8.360 nan 0.000 0.467 257 L N 0.651 122.026 121.223 0.252 0.000 2.179 257 L HA -0.102 4.238 4.340 -0.000 0.000 0.208 257 L C 2.467 179.363 176.870 0.043 0.000 1.096 257 L CA 0.654 55.553 54.840 0.097 0.000 0.779 257 L CB -0.009 42.064 42.059 0.024 0.000 0.922 257 L HN 0.060 nan 8.230 nan 0.000 0.443 258 E N 0.970 121.204 120.200 0.057 0.000 2.150 258 E HA -0.164 4.186 4.350 -0.000 0.000 0.193 258 E C 2.098 178.717 176.600 0.031 0.000 0.985 258 E CA 1.287 57.709 56.400 0.036 0.000 0.814 258 E CB -0.070 29.652 29.700 0.038 0.000 0.752 258 E HN 0.318 nan 8.360 nan 0.000 0.466 259 A N 0.411 123.254 122.820 0.039 0.000 2.032 259 A HA -0.152 4.168 4.320 -0.000 0.000 0.221 259 A C 2.072 179.643 177.584 -0.021 0.000 1.165 259 A CA 1.610 53.658 52.037 0.018 0.000 0.645 259 A CB -0.635 18.376 19.000 0.019 0.000 0.807 259 A HN 0.371 nan 8.150 nan 0.000 0.453 260 L N -1.530 119.671 121.223 -0.037 0.000 2.529 260 L HA -0.002 4.338 4.340 -0.000 0.000 0.223 260 L C 2.255 179.113 176.870 -0.020 0.000 1.113 260 L CA 0.652 55.438 54.840 -0.090 0.000 0.861 260 L CB -0.989 40.990 42.059 -0.134 0.000 1.012 260 L HN 0.228 nan 8.230 nan 0.000 0.461 261 T N 0.902 115.458 114.554 0.003 0.000 2.442 261 T HA -0.202 4.148 4.350 -0.000 0.000 0.237 261 T C -1.452 173.267 174.700 0.032 0.000 1.361 261 T CA 1.523 63.634 62.100 0.018 0.000 1.127 261 T CB -2.062 66.820 68.868 0.023 0.000 0.845 261 T HN 0.236 nan 8.240 nan 0.000 0.433 262 P HA 0.187 nan 4.420 nan 0.000 0.259 262 P C 0.552 177.900 177.300 0.081 0.000 1.635 262 P CA 0.161 63.292 63.100 0.053 0.000 1.199 262 P CB -0.444 31.286 31.700 0.050 0.000 1.850 263 I N 1.491 122.112 120.570 0.085 0.000 2.333 263 I HA -0.020 4.150 4.170 -0.000 0.000 0.246 263 I C 1.210 177.422 176.117 0.158 0.000 1.106 263 I CA 1.029 62.401 61.300 0.120 0.000 1.411 263 I CB 0.018 38.081 38.000 0.106 0.000 1.082 263 I HN 0.050 nan 8.210 nan 0.000 0.420 264 V N 1.407 121.401 119.914 0.135 0.000 2.823 264 V HA 0.457 4.577 4.120 -0.000 0.000 0.312 264 V C -0.787 175.356 176.094 0.081 0.000 1.072 264 V CA -0.618 61.774 62.300 0.153 0.000 0.937 264 V CB 2.714 34.645 31.823 0.181 0.000 1.013 264 V HN 0.316 nan 8.190 nan 0.000 0.430 265 N N 2.320 121.054 118.700 0.056 0.000 2.542 265 N HA 0.230 4.970 4.740 -0.000 0.000 0.288 265 N C 0.576 176.076 175.510 -0.017 0.000 1.115 265 N CA -0.447 52.601 53.050 -0.003 0.000 0.924 265 N CB 2.157 40.617 38.487 -0.045 0.000 1.526 265 N HN 0.713 nan 8.380 nan 0.000 0.515 266 Q N 1.663 121.449 119.800 -0.023 0.000 2.297 266 Q HA -0.061 4.279 4.340 -0.000 0.000 0.208 266 Q C 1.057 177.038 176.000 -0.030 0.000 0.981 266 Q CA 1.497 57.283 55.803 -0.028 0.000 0.876 266 Q CB -0.032 28.683 28.738 -0.038 0.000 0.921 266 Q HN 0.536 nan 8.270 nan 0.000 0.446 267 A N 0.979 123.773 122.820 -0.044 0.000 2.208 267 A HA 0.012 4.332 4.320 -0.000 0.000 0.209 267 A C 0.532 178.067 177.584 -0.080 0.000 1.161 267 A CA -0.080 51.926 52.037 -0.051 0.000 0.782 267 A CB -0.003 18.968 19.000 -0.049 0.000 0.816 267 A HN 0.200 nan 8.150 nan 0.000 0.477 268 N N 0.338 118.972 118.700 -0.111 0.000 2.476 268 N HA 0.334 5.074 4.740 -0.000 0.000 0.276 268 N C 0.283 175.780 175.510 -0.021 0.000 1.204 268 N CA 0.246 53.191 53.050 -0.175 0.000 0.974 268 N CB 1.136 39.367 38.487 -0.427 0.000 1.204 268 N HN 0.325 nan 8.380 nan 0.000 0.543 269 S N -0.454 115.276 115.700 0.049 0.000 2.608 269 S HA 0.034 4.504 4.470 -0.000 0.000 0.261 269 S C 0.976 175.687 174.600 0.184 0.000 1.314 269 S CA -0.386 57.889 58.200 0.124 0.000 0.992 269 S CB 0.668 63.960 63.200 0.154 0.000 0.935 269 S HN 0.627 nan 8.310 nan 0.000 0.564 270 D N 1.421 121.937 120.400 0.193 0.000 2.117 270 D HA -0.142 4.498 4.640 -0.000 0.000 0.197 270 D C 1.721 178.200 176.300 0.298 0.000 0.987 270 D CA 1.809 55.958 54.000 0.247 0.000 0.829 270 D CB -1.125 39.815 40.800 0.234 0.000 0.961 270 D HN 0.456 nan 8.370 nan 0.000 0.460 271 S N -0.714 115.173 115.700 0.311 0.000 2.368 271 S HA -0.152 4.318 4.470 -0.000 0.000 0.225 271 S C 1.738 176.471 174.600 0.222 0.000 1.030 271 S CA 0.888 59.255 58.200 0.278 0.000 0.999 271 S CB -0.722 62.666 63.200 0.313 0.000 0.844 271 S HN 0.474 nan 8.310 nan 0.000 0.459 272 Y N 2.650 123.021 120.300 0.119 0.000 2.145 272 Y HA -0.172 4.378 4.550 -0.000 0.000 0.286 272 Y C 2.349 178.317 175.900 0.113 0.000 1.145 272 Y CA 1.234 59.396 58.100 0.103 0.000 1.148 272 Y CB -0.185 38.331 38.460 0.093 0.000 0.981 272 Y HN 0.233 nan 8.280 nan 0.000 0.507 273 N N 0.760 119.727 118.700 0.445 0.000 2.069 273 N HA -0.254 4.486 4.740 -0.000 0.000 0.191 273 N C 1.958 177.609 175.510 0.236 0.000 1.031 273 N CA 1.612 54.900 53.050 0.397 0.000 0.852 273 N CB -0.567 38.192 38.487 0.453 0.000 1.018 273 N HN 0.424 nan 8.380 nan 0.000 0.423 274 L N 1.042 122.343 121.223 0.131 0.000 2.042 274 L HA -0.223 4.117 4.340 -0.000 0.000 0.210 274 L C 2.011 178.722 176.870 -0.265 0.000 1.076 274 L CA 1.641 56.291 54.840 -0.316 0.000 0.749 274 L CB -0.337 41.590 42.059 -0.220 0.000 0.893 274 L HN 0.131 nan 8.230 nan 0.000 0.432 275 D N -1.473 118.869 120.400 -0.097 0.000 2.117 275 D HA -0.216 4.424 4.640 -0.000 0.000 0.198 275 D C 2.290 178.535 176.300 -0.092 0.000 0.982 275 D CA 1.326 55.263 54.000 -0.105 0.000 0.828 275 D CB 0.175 40.925 40.800 -0.083 0.000 0.967 275 D HN 0.169 nan 8.370 nan 0.000 0.464 276 S N -1.091 114.604 115.700 -0.007 0.000 2.368 276 S HA -0.088 4.382 4.470 -0.000 0.000 0.224 276 S C 2.030 176.637 174.600 0.011 0.000 1.029 276 S CA 1.337 59.577 58.200 0.066 0.000 0.988 276 S CB -0.464 62.862 63.200 0.210 0.000 0.838 276 S HN 0.390 nan 8.310 nan 0.000 0.462 277 A N 0.860 123.632 122.820 -0.080 0.000 1.968 277 A HA 0.150 4.470 4.320 -0.000 0.000 0.217 277 A C 2.130 179.572 177.584 -0.237 0.000 1.169 277 A CA 1.188 53.135 52.037 -0.150 0.000 0.638 277 A CB -0.688 18.130 19.000 -0.303 0.000 0.812 277 A HN 0.560 nan 8.150 nan 0.000 0.446 278 L N -0.226 120.815 121.223 -0.302 0.000 2.027 278 L HA -0.141 4.199 4.340 -0.000 0.000 0.206 278 L C 2.392 179.112 176.870 -0.249 0.000 1.074 278 L CA 2.360 57.020 54.840 -0.301 0.000 0.745 278 L CB -0.278 41.589 42.059 -0.321 0.000 0.898 278 L HN 0.581 nan 8.230 nan 0.000 0.433 279 E N -0.633 119.441 120.200 -0.210 0.000 2.150 279 E HA -0.260 4.090 4.350 -0.000 0.000 0.193 279 E C 2.193 178.595 176.600 -0.330 0.000 0.985 279 E CA 1.083 57.320 56.400 -0.272 0.000 0.814 279 E CB -0.128 29.431 29.700 -0.236 0.000 0.752 279 E HN 0.449 nan 8.360 nan 0.000 0.466 280 L N 1.038 122.177 121.223 -0.140 0.000 2.013 280 L HA -0.233 4.107 4.340 -0.000 0.000 0.212 280 L C 2.102 178.877 176.870 -0.159 0.000 1.073 280 L CA 1.755 56.550 54.840 -0.074 0.000 0.753 280 L CB -0.467 41.586 42.059 -0.010 0.000 0.890 280 L HN 0.238 nan 8.230 nan 0.000 0.432 281 L N -1.937 119.185 121.223 -0.169 0.000 2.093 281 L HA -0.177 4.163 4.340 -0.000 0.000 0.208 281 L C 2.382 179.160 176.870 -0.153 0.000 1.085 281 L CA 0.873 55.620 54.840 -0.156 0.000 0.755 281 L CB -0.575 41.380 42.059 -0.173 0.000 0.904 281 L HN 0.161 nan 8.230 nan 0.000 0.435 282 V N -0.451 119.343 119.914 -0.201 0.000 2.323 282 V HA -0.180 3.940 4.120 -0.000 0.000 0.244 282 V C 2.620 178.630 176.094 -0.140 0.000 1.041 282 V CA 1.416 63.603 62.300 -0.189 0.000 1.025 282 V CB -0.529 31.150 31.823 -0.239 0.000 0.656 282 V HN 0.402 nan 8.190 nan 0.000 0.451 283 R N 0.850 121.233 120.500 -0.195 0.000 2.148 283 R HA -0.056 4.284 4.340 -0.000 0.000 0.223 283 R C 2.074 178.503 176.300 0.214 0.000 1.088 283 R CA 1.558 57.620 56.100 -0.065 0.000 0.985 283 R CB -1.260 28.865 30.300 -0.292 0.000 0.880 283 R HN 0.713 nan 8.270 nan 0.000 0.451 284 T N -2.639 111.963 114.554 0.079 0.000 3.272 284 T HA 0.310 4.660 4.350 -0.000 0.000 0.250 284 T C 1.067 175.839 174.700 0.119 0.000 1.082 284 T CA 0.487 62.650 62.100 0.105 0.000 0.968 284 T CB 0.331 69.046 68.868 -0.255 0.000 1.015 284 T HN 0.370 nan 8.240 nan 0.000 0.563 285 G N 1.275 110.130 108.800 0.092 0.000 2.183 285 G HA2 -0.136 3.824 3.960 -0.000 0.000 0.168 285 G HA3 -0.136 3.824 3.960 -0.000 0.000 0.168 285 G C -0.050 174.875 174.900 0.041 0.000 1.008 285 G CA -0.826 44.321 45.100 0.079 0.000 0.677 285 G HN 0.639 nan 8.290 nan 0.000 0.498 286 R N 0.617 121.115 120.500 -0.002 0.000 2.732 286 R HA 0.703 5.043 4.340 -0.000 0.000 0.278 286 R C 0.648 176.900 176.300 -0.080 0.000 0.976 286 R CA 0.021 56.106 56.100 -0.024 0.000 0.963 286 R CB 1.579 31.858 30.300 -0.035 0.000 1.150 286 R HN 0.432 nan 8.270 nan 0.000 0.478 287 S N 1.484 117.130 115.700 -0.090 0.000 2.593 287 S HA 0.152 4.622 4.470 -0.000 0.000 0.269 287 S C -1.605 172.864 174.600 -0.217 0.000 1.334 287 S CA -1.143 56.975 58.200 -0.136 0.000 1.015 287 S CB 0.875 64.006 63.200 -0.116 0.000 0.912 287 S HN 0.365 nan 8.310 nan 0.000 0.541 288 P HA -0.067 nan 4.420 nan 0.000 0.218 288 P C 1.477 178.400 177.300 -0.629 0.000 1.148 288 P CA 1.029 63.815 63.100 -0.524 0.000 0.822 288 P CB -0.170 31.149 31.700 -0.635 0.000 0.784 289 L N -0.193 120.797 121.223 -0.390 0.000 2.012 289 L HA -0.183 4.157 4.340 -0.000 0.000 0.210 289 L C 2.748 179.483 176.870 -0.225 0.000 1.073 289 L CA 1.786 56.479 54.840 -0.244 0.000 0.748 289 L CB -1.055 40.939 42.059 -0.109 0.000 0.891 289 L HN 0.015 nan 8.230 nan 0.000 0.431 290 E N 0.159 120.243 120.200 -0.193 0.000 2.106 290 E HA -0.212 4.138 4.350 -0.000 0.000 0.192 290 E C 2.226 178.738 176.600 -0.148 0.000 0.984 290 E CA 0.978 57.292 56.400 -0.143 0.000 0.806 290 E CB 0.013 29.673 29.700 -0.066 0.000 0.750 290 E HN 0.451 nan 8.360 nan 0.000 0.458 291 A N 1.052 123.744 122.820 -0.213 0.000 1.972 291 A HA -0.088 4.232 4.320 -0.000 0.000 0.219 291 A C 2.304 179.732 177.584 -0.261 0.000 1.169 291 A CA 1.668 53.559 52.037 -0.244 0.000 0.635 291 A CB -0.537 18.294 19.000 -0.283 0.000 0.810 291 A HN 0.392 nan 8.150 nan 0.000 0.446 292 A N -0.845 121.799 122.820 -0.293 0.000 1.970 292 A HA 0.066 4.386 4.320 -0.000 0.000 0.216 292 A C 2.123 179.643 177.584 -0.106 0.000 1.170 292 A CA 1.365 53.261 52.037 -0.235 0.000 0.645 292 A CB -0.460 18.387 19.000 -0.254 0.000 0.816 292 A HN 0.505 nan 8.150 nan 0.000 0.447 293 M N -0.735 118.821 119.600 -0.072 0.000 2.296 293 M HA -0.038 4.442 4.480 -0.000 0.000 0.265 293 M C 1.765 178.145 176.300 0.133 0.000 1.064 293 M CA 1.261 56.602 55.300 0.068 0.000 1.109 293 M CB -0.379 32.221 32.600 -0.000 0.000 1.396 293 M HN 0.394 nan 8.290 nan 0.000 0.430 294 I N -0.448 120.091 120.570 -0.051 0.000 2.400 294 I HA -0.203 3.967 4.170 -0.000 0.000 0.248 294 I C 1.973 178.047 176.117 -0.072 0.000 1.109 294 I CA 1.040 62.239 61.300 -0.169 0.000 1.425 294 I CB -0.117 37.645 38.000 -0.396 0.000 1.094 294 I HN 0.206 nan 8.210 nan 0.000 0.425 295 L N -0.341 120.813 121.223 -0.115 0.000 2.307 295 L HA 0.058 4.398 4.340 -0.000 0.000 0.211 295 L C 0.344 177.218 176.870 0.006 0.000 1.099 295 L CA 0.404 55.169 54.840 -0.125 0.000 0.816 295 L CB 0.155 41.953 42.059 -0.435 0.000 0.952 295 L HN -0.022 nan 8.230 nan 0.000 0.455 296 V N 0.864 120.778 119.914 0.001 0.000 2.384 296 V HA 0.277 4.397 4.120 -0.000 0.000 0.257 296 V C -2.453 173.675 176.094 0.057 0.000 0.969 296 V CA -1.223 61.113 62.300 0.059 0.000 0.910 296 V CB 0.500 32.346 31.823 0.040 0.000 1.150 296 V HN -0.010 nan 8.190 nan 0.000 0.481 297 P HA 0.276 nan 4.420 nan 0.000 0.279 297 P C 0.161 177.421 177.300 -0.067 0.000 1.239 297 P CA -0.181 62.928 63.100 0.016 0.000 0.789 297 P CB 1.140 32.874 31.700 0.058 0.000 0.933 298 E N 1.249 121.347 120.200 -0.169 0.000 2.537 298 E HA 0.062 4.412 4.350 -0.000 0.000 0.269 298 E C 0.150 176.732 176.600 -0.030 0.000 1.038 298 E CA 0.077 56.414 56.400 -0.104 0.000 0.977 298 E CB 0.329 29.951 29.700 -0.128 0.000 0.973 298 E HN 0.469 nan 8.360 nan 0.000 0.456 299 A N 4.237 127.072 122.820 0.026 0.000 2.671 299 A HA 0.099 4.419 4.320 -0.000 0.000 0.306 299 A C 0.105 177.714 177.584 0.042 0.000 1.473 299 A CA -0.220 51.839 52.037 0.036 0.000 1.155 299 A CB -0.475 18.534 19.000 0.014 0.000 1.123 299 A HN 0.701 nan 8.150 nan 0.000 0.545 300 Y N 1.698 121.976 120.300 -0.038 0.000 2.476 300 Y HA 0.301 4.851 4.550 -0.000 0.000 0.283 300 Y C 0.756 176.687 175.900 0.051 0.000 1.109 300 Y CA -0.389 57.721 58.100 0.016 0.000 1.246 300 Y CB 0.026 38.512 38.460 0.045 0.000 1.068 300 Y HN 0.279 nan 8.280 nan 0.000 0.552 301 K N 2.987 122.871 120.400 -0.860 0.000 2.489 301 K HA -0.091 4.229 4.320 -0.000 0.000 0.278 301 K C -0.111 176.369 176.600 -0.200 0.000 1.000 301 K CA 0.657 56.625 56.287 -0.531 0.000 1.012 301 K CB -0.027 32.174 32.500 -0.498 0.000 0.903 301 K HN 0.552 nan 8.250 nan 0.000 0.485 302 N N 1.766 120.402 118.700 -0.107 0.000 2.727 302 N HA -0.221 4.519 4.740 -0.000 0.000 0.249 302 N C -0.483 174.999 175.510 -0.046 0.000 1.048 302 N CA 0.858 53.869 53.050 -0.064 0.000 0.714 302 N CB -0.938 37.502 38.487 -0.078 0.000 0.959 302 N HN 0.542 nan 8.380 nan 0.000 0.544 303 Q N 0.340 120.132 119.800 -0.013 0.000 2.372 303 Q HA 0.452 4.792 4.340 -0.000 0.000 0.259 303 Q C -1.900 174.109 176.000 0.014 0.000 0.993 303 Q CA -1.694 54.115 55.803 0.010 0.000 0.854 303 Q CB 1.434 30.208 28.738 0.058 0.000 1.231 303 Q HN -0.071 nan 8.270 nan 0.000 0.462 304 P HA -0.096 nan 4.420 nan 0.000 0.218 304 P C 0.505 177.799 177.300 -0.010 0.000 1.149 304 P CA 1.468 64.558 63.100 -0.016 0.000 0.817 304 P CB 0.183 31.862 31.700 -0.036 0.000 0.785 305 A N -0.564 122.255 122.820 -0.001 0.000 2.076 305 A HA -0.135 4.185 4.320 -0.000 0.000 0.220 305 A C 1.909 179.426 177.584 -0.111 0.000 1.160 305 A CA 1.239 53.254 52.037 -0.036 0.000 0.653 305 A CB -1.471 17.564 19.000 0.058 0.000 0.801 305 A HN 0.196 nan 8.150 nan 0.000 0.455 306 L N -1.082 120.141 121.223 -0.001 0.000 2.611 306 L HA 0.057 4.397 4.340 -0.000 0.000 0.229 306 L C 2.122 179.042 176.870 0.082 0.000 1.137 306 L CA 0.205 55.089 54.840 0.074 0.000 0.901 306 L CB -0.174 41.973 42.059 0.146 0.000 1.098 306 L HN 0.430 nan 8.230 nan 0.000 0.456 307 K N 0.829 121.241 120.400 0.020 0.000 2.044 307 K HA -0.216 4.104 4.320 -0.000 0.000 0.210 307 K C 0.683 177.246 176.600 -0.062 0.000 1.049 307 K CA 1.782 58.060 56.287 -0.013 0.000 0.927 307 K CB 0.144 32.623 32.500 -0.034 0.000 0.713 307 K HN 0.260 nan 8.250 nan 0.000 0.443 308 D N -0.708 119.601 120.400 -0.151 0.000 2.325 308 D HA 0.007 4.647 4.640 -0.000 0.000 0.225 308 D C -0.556 175.379 176.300 -0.610 0.000 1.096 308 D CA 0.399 54.170 54.000 -0.380 0.000 0.844 308 D CB 0.196 40.678 40.800 -0.531 0.000 0.925 308 D HN 0.252 nan 8.370 nan 0.000 0.513 309 Y N -0.238 120.012 120.300 -0.084 0.000 2.473 309 Y HA 0.216 4.766 4.550 -0.000 0.000 0.345 309 Y C -1.578 174.320 175.900 -0.003 0.000 0.932 309 Y CA -1.654 56.413 58.100 -0.054 0.000 1.124 309 Y CB 1.165 39.572 38.460 -0.087 0.000 1.162 309 Y HN -0.099 nan 8.280 nan 0.000 0.629 310 P HA -0.204 nan 4.420 nan 0.000 0.219 310 P C 0.791 178.156 177.300 0.109 0.000 1.146 310 P CA 1.569 64.725 63.100 0.092 0.000 0.808 310 P CB 0.558 32.286 31.700 0.047 0.000 0.779 311 E N -0.081 120.181 120.200 0.104 0.000 2.085 311 E HA -0.140 4.210 4.350 -0.000 0.000 0.194 311 E C 2.241 178.909 176.600 0.114 0.000 0.994 311 E CA 0.947 57.413 56.400 0.111 0.000 0.801 311 E CB -0.506 29.253 29.700 0.098 0.000 0.743 311 E HN 0.328 nan 8.360 nan 0.000 0.453 312 I N 1.136 121.774 120.570 0.114 0.000 2.226 312 I HA -0.251 3.919 4.170 -0.000 0.000 0.245 312 I C 2.389 178.569 176.117 0.105 0.000 1.100 312 I CA 0.893 62.227 61.300 0.056 0.000 1.374 312 I CB -0.212 37.843 38.000 0.091 0.000 1.057 312 I HN -0.013 nan 8.210 nan 0.000 0.413 313 S N 0.379 116.183 115.700 0.173 0.000 2.382 313 S HA -0.184 4.286 4.470 -0.000 0.000 0.228 313 S C 1.561 176.211 174.600 0.083 0.000 1.027 313 S CA 1.314 59.639 58.200 0.208 0.000 0.991 313 S CB -0.340 63.045 63.200 0.309 0.000 0.823 313 S HN 0.424 nan 8.310 nan 0.000 0.469 314 D N 1.024 121.486 120.400 0.103 0.000 2.084 314 D HA -0.070 4.570 4.640 -0.000 0.000 0.194 314 D C 1.543 177.842 176.300 -0.002 0.000 0.990 314 D CA 0.781 54.838 54.000 0.095 0.000 0.826 314 D CB -0.507 40.369 40.800 0.128 0.000 0.971 314 D HN 0.367 nan 8.370 nan 0.000 0.453 315 F N 1.470 121.239 119.950 -0.302 0.000 2.043 315 F HA -0.333 4.194 4.527 -0.000 0.000 0.297 315 F C 2.547 178.096 175.800 -0.418 0.000 1.118 315 F CA 1.894 59.501 58.000 -0.655 0.000 1.202 315 F CB -0.202 38.430 39.000 -0.613 0.000 0.965 315 F HN 0.118 nan 8.300 nan 0.000 0.482 316 H N -0.790 118.254 119.070 -0.044 0.000 2.423 316 H HA -0.147 4.409 4.556 -0.000 0.000 0.297 316 H C 1.905 176.998 175.328 -0.392 0.000 1.075 316 H CA 1.505 57.349 56.048 -0.341 0.000 1.342 316 H CB -0.747 28.517 29.762 -0.829 0.000 1.395 316 H HN 0.391 nan 8.280 nan 0.000 0.530 317 D N 0.198 120.476 120.400 -0.204 0.000 2.219 317 D HA -0.165 4.475 4.640 -0.000 0.000 0.205 317 D C 2.059 178.379 176.300 0.034 0.000 0.970 317 D CA 0.570 54.610 54.000 0.066 0.000 0.851 317 D CB -0.121 40.784 40.800 0.175 0.000 0.943 317 D HN 0.352 nan 8.370 nan 0.000 0.488 318 Y N -0.448 119.724 120.300 -0.214 0.000 2.231 318 Y HA -0.114 4.436 4.550 -0.000 0.000 0.294 318 Y C 1.879 177.498 175.900 -0.468 0.000 1.120 318 Y CA 1.412 59.326 58.100 -0.310 0.000 1.141 318 Y CB -0.587 37.657 38.460 -0.358 0.000 1.022 318 Y HN -0.093 nan 8.280 nan 0.000 0.523 319 Y N 0.386 120.442 120.300 -0.407 0.000 2.314 319 Y HA -0.185 4.365 4.550 -0.000 0.000 0.293 319 Y C 2.923 178.579 175.900 -0.407 0.000 1.129 319 Y CA 1.508 59.325 58.100 -0.473 0.000 1.201 319 Y CB -0.485 37.703 38.460 -0.452 0.000 0.999 319 Y HN 0.293 nan 8.280 nan 0.000 0.541 320 S N -0.827 114.768 115.700 -0.174 0.000 2.440 320 S HA -0.152 4.318 4.470 -0.000 0.000 0.238 320 S C 2.143 176.356 174.600 -0.645 0.000 1.010 320 S CA 1.087 59.172 58.200 -0.191 0.000 0.972 320 S CB -0.950 62.289 63.200 0.065 0.000 0.774 320 S HN 0.443 nan 8.310 nan 0.000 0.501 321 G N 0.089 108.254 108.800 -1.059 0.000 2.650 321 G HA2 0.289 4.249 3.960 -0.000 0.000 0.214 321 G HA3 0.289 4.249 3.960 -0.000 0.000 0.214 321 G C 1.108 175.527 174.900 -0.802 0.000 1.136 321 G CA 0.400 44.557 45.100 -1.571 0.000 0.789 321 G HN 0.490 nan 8.290 nan 0.000 0.536 322 L N -1.768 119.104 121.223 -0.586 0.000 2.600 322 L HA 0.400 4.740 4.340 -0.000 0.000 0.213 322 L C 0.425 177.153 176.870 -0.236 0.000 1.045 322 L CA 0.479 55.082 54.840 -0.395 0.000 0.863 322 L CB 0.613 42.426 42.059 -0.410 0.000 1.189 322 L HN 0.129 nan 8.230 nan 0.000 0.484 323 Q N 0.745 120.448 119.800 -0.162 0.000 2.274 323 Q HA 0.285 4.624 4.340 -0.000 0.000 0.268 323 Q C -1.095 174.899 176.000 -0.011 0.000 1.015 323 Q CA -0.602 55.172 55.803 -0.047 0.000 0.775 323 Q CB 1.463 30.223 28.738 0.037 0.000 1.256 323 Q HN 0.135 nan 8.270 nan 0.000 0.442 324 E N 4.220 124.422 120.200 0.004 0.000 2.313 324 E HA 0.467 4.817 4.350 -0.000 0.000 0.272 324 E C -2.296 174.410 176.600 0.177 0.000 1.038 324 E CA -1.908 54.530 56.400 0.063 0.000 0.863 324 E CB 0.413 30.130 29.700 0.028 0.000 1.060 324 E HN 0.377 nan 8.360 nan 0.000 0.402 325 P HA -0.046 nan 4.420 nan 0.000 0.266 325 P C -0.873 176.617 177.300 0.316 0.000 1.195 325 P CA 0.123 63.366 63.100 0.238 0.000 0.768 325 P CB 0.189 31.994 31.700 0.175 0.000 0.838 326 W N 2.902 124.235 121.300 0.055 0.000 2.365 326 W HA 0.183 4.843 4.660 -0.000 0.000 0.371 326 W C 0.507 177.060 176.519 0.058 0.000 1.006 326 W CA 0.265 57.644 57.345 0.056 0.000 1.528 326 W CB -0.470 29.006 29.460 0.027 0.000 1.497 326 W HN 0.274 nan 8.180 nan 0.000 0.367 327 D N 0.878 121.400 120.400 0.203 0.000 2.354 327 D HA 0.604 5.244 4.640 -0.000 0.000 0.247 327 D C 0.645 177.035 176.300 0.150 0.000 1.138 327 D CA 0.635 54.730 54.000 0.158 0.000 0.958 327 D CB 1.606 42.480 40.800 0.123 0.000 1.144 327 D HN 0.492 nan 8.370 nan 0.000 0.458 328 G N 0.810 109.685 108.800 0.126 0.000 2.381 328 G HA2 -0.005 3.955 3.960 -0.000 0.000 0.672 328 G HA3 -0.005 3.955 3.960 -0.000 0.000 0.672 328 G C -2.943 172.029 174.900 0.121 0.000 1.324 328 G CA -1.134 44.034 45.100 0.113 0.000 0.975 328 G HN 0.402 nan 8.290 nan 0.000 0.593 329 P HA 0.431 nan 4.420 nan 0.000 0.265 329 P C -0.090 177.323 177.300 0.187 0.000 1.187 329 P CA 1.124 64.279 63.100 0.092 0.000 0.766 329 P CB 1.086 32.824 31.700 0.065 0.000 0.820 330 A N 3.019 125.945 122.820 0.176 0.000 2.500 330 A HA 0.506 4.826 4.320 -0.000 0.000 0.291 330 A C -1.773 175.921 177.584 0.183 0.000 1.048 330 A CA -0.472 51.724 52.037 0.265 0.000 0.791 330 A CB 0.738 19.909 19.000 0.285 0.000 1.309 330 A HN 0.469 nan 8.150 nan 0.000 0.397 331 L N 3.663 124.992 121.223 0.177 0.000 2.280 331 L HA 0.676 5.016 4.340 -0.000 0.000 0.287 331 L C -1.114 175.874 176.870 0.197 0.000 1.023 331 L CA -0.356 54.564 54.840 0.134 0.000 0.819 331 L CB 0.622 42.721 42.059 0.067 0.000 1.212 331 L HN 0.596 nan 8.230 nan 0.000 0.420 332 L N 6.281 127.604 121.223 0.167 0.000 2.282 332 L HA 0.575 4.915 4.340 -0.000 0.000 0.288 332 L C -0.708 176.152 176.870 -0.015 0.000 1.033 332 L CA -0.807 54.144 54.840 0.186 0.000 0.807 332 L CB 1.651 43.883 42.059 0.287 0.000 1.209 332 L HN 0.333 nan 8.230 nan 0.000 0.423 333 V N 4.367 124.264 119.914 -0.029 0.000 2.448 333 V HA 0.556 4.676 4.120 -0.000 0.000 0.295 333 V C -0.503 175.484 176.094 -0.177 0.000 1.025 333 V CA -0.530 61.621 62.300 -0.249 0.000 0.859 333 V CB 1.388 33.174 31.823 -0.061 0.000 0.988 333 V HN 0.561 nan 8.190 nan 0.000 0.431 334 F N 1.797 121.696 119.950 -0.084 0.000 2.626 334 F HA 0.914 5.441 4.527 -0.000 0.000 0.311 334 F C -0.383 175.283 175.800 -0.223 0.000 1.088 334 F CA -1.207 56.720 58.000 -0.121 0.000 0.949 334 F CB 1.882 40.806 39.000 -0.127 0.000 1.322 334 F HN 0.376 nan 8.300 nan 0.000 0.461 335 S N -0.144 115.601 115.700 0.074 0.000 2.579 335 S HA 0.451 4.921 4.470 -0.000 0.000 0.272 335 S C -0.923 173.626 174.600 -0.085 0.000 1.141 335 S CA -0.359 57.762 58.200 -0.131 0.000 0.843 335 S CB 2.005 64.999 63.200 -0.343 0.000 1.122 335 S HN 0.814 nan 8.310 nan 0.000 0.468 336 D N 1.086 121.381 120.400 -0.175 0.000 2.455 336 D HA 0.301 4.941 4.640 -0.000 0.000 0.228 336 D C 1.379 177.616 176.300 -0.105 0.000 1.070 336 D CA 1.484 55.405 54.000 -0.131 0.000 0.881 336 D CB 0.529 41.237 40.800 -0.152 0.000 1.087 336 D HN 0.997 nan 8.370 nan 0.000 0.498 337 G N 0.956 109.652 108.800 -0.174 0.000 2.217 337 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.246 337 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.246 337 G C 1.273 176.090 174.900 -0.137 0.000 0.990 337 G CA 0.696 45.745 45.100 -0.085 0.000 0.627 337 G HN 0.414 nan 8.290 nan 0.000 0.522 338 K N -1.153 119.139 120.400 -0.180 0.000 2.424 338 K HA 0.513 4.833 4.320 -0.000 0.000 0.198 338 K C 0.237 176.721 176.600 -0.193 0.000 1.190 338 K CA 0.172 56.371 56.287 -0.147 0.000 0.935 338 K CB 1.251 33.687 32.500 -0.107 0.000 1.087 338 K HN 0.328 nan 8.250 nan 0.000 0.524 339 I N 0.974 121.399 120.570 -0.242 0.000 2.647 339 I HA 0.235 4.405 4.170 -0.000 0.000 0.295 339 I C -1.611 174.277 176.117 -0.383 0.000 1.078 339 I CA -0.980 60.170 61.300 -0.249 0.000 1.048 339 I CB 2.565 40.470 38.000 -0.158 0.000 1.239 339 I HN -0.282 nan 8.210 nan 0.000 0.421 340 V N 6.049 125.675 119.914 -0.480 0.000 2.709 340 V HA 1.024 5.144 4.120 -0.000 0.000 0.308 340 V C -0.570 175.067 176.094 -0.761 0.000 1.062 340 V CA 0.199 62.093 62.300 -0.677 0.000 0.901 340 V CB 1.446 32.705 31.823 -0.941 0.000 1.003 340 V HN 0.855 nan 8.190 nan 0.000 0.425 341 G N 3.712 112.004 108.800 -0.847 0.000 2.600 341 G HA2 0.947 4.907 3.960 -0.000 0.000 0.293 341 G HA3 0.947 4.907 3.960 -0.000 0.000 0.293 341 G C -1.260 172.976 174.900 -1.106 0.000 1.408 341 G CA -0.194 44.446 45.100 -0.768 0.000 0.782 341 G HN 1.672 nan 8.290 nan 0.000 0.482 342 A N -1.528 120.935 122.820 -0.595 0.000 2.556 342 A HA 1.019 5.339 4.320 -0.000 0.000 0.294 342 A C -0.228 177.253 177.584 -0.172 0.000 1.091 342 A CA -0.086 51.660 52.037 -0.485 0.000 0.704 342 A CB 1.961 20.912 19.000 -0.082 0.000 1.300 342 A HN 2.268 nan 8.150 nan 0.000 0.406 343 G N -0.058 108.719 108.800 -0.037 0.000 2.742 343 G HA2 0.572 4.532 3.960 -0.000 0.000 0.296 343 G HA3 0.572 4.532 3.960 -0.000 0.000 0.296 343 G C -1.391 173.556 174.900 0.078 0.000 1.436 343 G CA -0.522 44.622 45.100 0.073 0.000 0.928 343 G HN 0.677 nan 8.290 nan 0.000 0.520 344 L N 1.386 122.644 121.223 0.058 0.000 2.334 344 L HA 0.432 4.772 4.340 -0.000 0.000 0.270 344 L C 0.554 177.465 176.870 0.068 0.000 1.018 344 L CA -1.172 53.707 54.840 0.066 0.000 0.811 344 L CB 1.722 43.810 42.059 0.050 0.000 1.271 344 L HN 0.792 nan 8.230 nan 0.000 0.443 345 D N 1.040 121.487 120.400 0.079 0.000 2.369 345 D HA -0.049 4.591 4.640 -0.000 0.000 0.241 345 D C 0.801 177.133 176.300 0.053 0.000 1.271 345 D CA -0.449 53.595 54.000 0.074 0.000 0.942 345 D CB 0.774 41.624 40.800 0.085 0.000 1.129 345 D HN 0.611 nan 8.370 nan 0.000 0.476 346 R N 0.092 120.623 120.500 0.052 0.000 2.189 346 R HA -0.071 4.269 4.340 -0.000 0.000 0.223 346 R C 0.710 177.036 176.300 0.043 0.000 1.092 346 R CA 0.835 56.960 56.100 0.042 0.000 0.989 346 R CB -0.414 29.915 30.300 0.048 0.000 0.876 346 R HN 0.317 nan 8.270 nan 0.000 0.457 347 N N 0.287 119.010 118.700 0.038 0.000 2.220 347 N HA 0.068 4.808 4.740 -0.000 0.000 0.195 347 N C 0.386 175.922 175.510 0.043 0.000 1.123 347 N CA 0.879 53.953 53.050 0.040 0.000 0.874 347 N CB 1.235 39.716 38.487 -0.009 0.000 0.995 347 N HN 0.477 nan 8.380 nan 0.000 0.498 348 G N 1.671 110.495 108.800 0.041 0.000 2.314 348 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.292 348 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.292 348 G C 0.606 175.542 174.900 0.062 0.000 1.059 348 G CA 0.054 45.189 45.100 0.057 0.000 0.982 348 G HN 0.349 nan 8.290 nan 0.000 0.505 349 L N -1.171 120.056 121.223 0.006 0.000 2.599 349 L HA 0.230 4.570 4.340 -0.000 0.000 0.230 349 L C 1.329 178.312 176.870 0.188 0.000 1.141 349 L CA 0.269 55.076 54.840 -0.054 0.000 0.877 349 L CB -0.194 41.686 42.059 -0.299 0.000 1.009 349 L HN 0.183 nan 8.230 nan 0.000 0.447 350 R N 0.358 120.943 120.500 0.141 0.000 2.740 350 R HA 0.490 4.830 4.340 -0.000 0.000 0.282 350 R C -2.561 173.794 176.300 0.093 0.000 0.969 350 R CA -2.534 53.644 56.100 0.130 0.000 0.918 350 R CB 0.368 30.718 30.300 0.084 0.000 1.175 350 R HN -0.259 nan 8.270 nan 0.000 0.464 351 P HA 0.345 nan 4.420 nan 0.000 0.275 351 P C -1.185 176.120 177.300 0.008 0.000 1.227 351 P CA -0.413 62.697 63.100 0.016 0.000 0.781 351 P CB 1.127 32.811 31.700 -0.027 0.000 0.906 352 A N 3.406 126.228 122.820 0.004 0.000 2.429 352 A HA 0.613 4.933 4.320 -0.000 0.000 0.289 352 A C -0.516 177.068 177.584 0.000 0.000 1.043 352 A CA -0.676 51.363 52.037 0.004 0.000 0.722 352 A CB 1.407 20.422 19.000 0.024 0.000 1.243 352 A HN 0.410 nan 8.150 nan 0.000 0.415 353 R N 1.345 121.832 120.500 -0.022 0.000 2.621 353 R HA 0.626 4.966 4.340 -0.000 0.000 0.292 353 R C -1.670 174.606 176.300 -0.041 0.000 0.969 353 R CA -0.356 55.697 56.100 -0.079 0.000 0.887 353 R CB 2.115 32.359 30.300 -0.092 0.000 1.180 353 R HN 0.878 nan 8.270 nan 0.000 0.450 354 Y N -1.748 118.485 120.300 -0.113 0.000 2.609 354 Y HA 0.722 5.272 4.550 -0.000 0.000 0.342 354 Y C -1.074 174.764 175.900 -0.102 0.000 1.058 354 Y CA -1.318 56.700 58.100 -0.135 0.000 1.055 354 Y CB 1.547 39.908 38.460 -0.165 0.000 1.292 354 Y HN 0.462 nan 8.280 nan 0.000 0.476 355 C N 3.093 122.489 119.300 0.159 0.000 2.551 355 C HA 0.760 5.220 4.460 -0.000 0.000 0.332 355 C C -0.928 174.152 174.990 0.151 0.000 1.139 355 C CA -0.704 58.363 59.018 0.082 0.000 1.328 355 C CB -0.038 27.735 27.740 0.055 0.000 1.903 355 C HN 0.767 nan 8.230 nan 0.000 0.459 356 I N 4.517 125.168 120.570 0.136 0.000 2.466 356 I HA 0.418 4.588 4.170 -0.000 0.000 0.289 356 I C 0.678 176.873 176.117 0.130 0.000 1.026 356 I CA 0.013 61.398 61.300 0.142 0.000 1.078 356 I CB 2.438 40.522 38.000 0.140 0.000 1.249 356 I HN 0.726 nan 8.210 nan 0.000 0.429 357 T N 1.223 115.871 114.554 0.156 0.000 2.862 357 T HA 0.288 4.638 4.350 -0.000 0.000 0.276 357 T C 1.064 175.834 174.700 0.117 0.000 0.974 357 T CA -0.689 61.491 62.100 0.134 0.000 0.966 357 T CB 1.218 70.161 68.868 0.124 0.000 1.072 357 T HN 0.760 nan 8.240 nan 0.000 0.538 358 K N -0.014 120.443 120.400 0.095 0.000 2.281 358 K HA -0.103 4.217 4.320 -0.000 0.000 0.203 358 K C 0.665 177.314 176.600 0.082 0.000 1.046 358 K CA 1.524 57.860 56.287 0.081 0.000 0.938 358 K CB -0.221 32.317 32.500 0.064 0.000 0.737 358 K HN 0.486 nan 8.250 nan 0.000 0.458 359 D N 1.105 121.565 120.400 0.100 0.000 2.325 359 D HA -0.004 4.636 4.640 -0.000 0.000 0.225 359 D C -0.379 175.999 176.300 0.131 0.000 1.096 359 D CA 0.223 54.289 54.000 0.110 0.000 0.844 359 D CB 0.220 41.093 40.800 0.121 0.000 0.925 359 D HN 0.163 nan 8.370 nan 0.000 0.513 360 D N -0.370 120.104 120.400 0.123 0.000 3.077 360 D HA -0.255 4.385 4.640 -0.000 0.000 0.217 360 D C -0.117 176.264 176.300 0.136 0.000 1.162 360 D CA 0.493 54.557 54.000 0.107 0.000 0.943 360 D CB -1.915 38.926 40.800 0.068 0.000 1.122 360 D HN 0.438 nan 8.370 nan 0.000 0.413 361 Y N 0.477 120.812 120.300 0.058 0.000 2.620 361 Y HA 0.287 4.837 4.550 -0.000 0.000 0.330 361 Y C 0.613 176.554 175.900 0.069 0.000 1.186 361 Y CA 0.546 58.686 58.100 0.067 0.000 1.467 361 Y CB 0.421 38.916 38.460 0.059 0.000 1.262 361 Y HN 0.149 nan 8.280 nan 0.000 0.550 362 I N 6.010 126.567 120.570 -0.023 0.000 2.619 362 I HA 0.517 4.687 4.170 -0.000 0.000 0.292 362 I C -1.757 174.341 176.117 -0.032 0.000 1.100 362 I CA -0.844 60.475 61.300 0.031 0.000 1.043 362 I CB 1.531 39.550 38.000 0.032 0.000 1.239 362 I HN 0.315 nan 8.210 nan 0.000 0.420 363 V N 7.707 127.612 119.914 -0.015 0.000 2.588 363 V HA 0.544 4.664 4.120 -0.000 0.000 0.304 363 V C -0.648 175.317 176.094 -0.215 0.000 1.042 363 V CA -0.597 61.647 62.300 -0.094 0.000 0.877 363 V CB 1.883 33.735 31.823 0.047 0.000 0.996 363 V HN 0.598 nan 8.190 nan 0.000 0.425 364 L N 3.667 124.593 121.223 -0.494 0.000 2.401 364 L HA 1.062 5.402 4.340 -0.000 0.000 0.266 364 L C -0.042 176.642 176.870 -0.310 0.000 0.991 364 L CA 0.197 54.756 54.840 -0.469 0.000 0.818 364 L CB 2.222 43.731 42.059 -0.917 0.000 1.321 364 L HN 0.853 nan 8.230 nan 0.000 0.413 365 G N 0.954 109.664 108.800 -0.149 0.000 2.506 365 G HA2 0.243 4.203 3.960 -0.000 0.000 0.292 365 G HA3 0.243 4.203 3.960 -0.000 0.000 0.292 365 G C -0.185 174.693 174.900 -0.038 0.000 1.425 365 G CA 0.103 45.159 45.100 -0.073 0.000 0.788 365 G HN 0.528 nan 8.290 nan 0.000 0.490 366 S N -0.428 115.259 115.700 -0.020 0.000 2.387 366 S HA -0.026 4.444 4.470 -0.000 0.000 0.230 366 S C 0.740 175.337 174.600 -0.005 0.000 1.035 366 S CA 1.551 59.743 58.200 -0.013 0.000 1.014 366 S CB -0.188 63.002 63.200 -0.018 0.000 0.836 366 S HN 0.561 nan 8.310 nan 0.000 0.466 367 E N -1.251 118.961 120.200 0.020 0.000 2.312 367 E HA 0.608 4.957 4.350 -0.000 0.000 0.267 367 E C 0.460 177.066 176.600 0.009 0.000 0.894 367 E CA -0.276 56.134 56.400 0.016 0.000 0.773 367 E CB 1.808 31.541 29.700 0.054 0.000 1.241 367 E HN 0.120 nan 8.360 nan 0.000 0.432 368 A N 1.709 124.521 122.820 -0.013 0.000 1.861 368 A HA 0.054 4.374 4.320 -0.000 0.000 0.212 368 A C 1.718 179.303 177.584 0.002 0.000 1.199 368 A CA 1.208 53.233 52.037 -0.020 0.000 0.613 368 A CB -0.741 18.230 19.000 -0.048 0.000 0.846 368 A HN 0.643 nan 8.150 nan 0.000 0.446 369 G N -0.451 108.353 108.800 0.006 0.000 3.352 369 G HA2 0.292 4.252 3.960 -0.000 0.000 0.236 369 G HA3 0.292 4.252 3.960 -0.000 0.000 0.236 369 G C 0.715 175.630 174.900 0.024 0.000 1.324 369 G CA 0.463 45.575 45.100 0.020 0.000 1.404 369 G HN 0.229 nan 8.290 nan 0.000 0.542 370 V N -0.361 119.569 119.914 0.027 0.000 2.825 370 V HA 0.068 4.188 4.120 -0.000 0.000 0.246 370 V C 1.035 177.131 176.094 0.005 0.000 1.068 370 V CA 0.834 63.146 62.300 0.020 0.000 1.088 370 V CB 0.561 32.407 31.823 0.038 0.000 0.733 370 V HN 0.155 nan 8.190 nan 0.000 0.468 371 V N 2.273 122.200 119.914 0.022 0.000 2.435 371 V HA 0.326 4.446 4.120 -0.000 0.000 0.290 371 V C -0.524 175.582 176.094 0.020 0.000 1.030 371 V CA -0.941 61.372 62.300 0.022 0.000 0.881 371 V CB 1.662 33.524 31.823 0.064 0.000 0.983 371 V HN 0.543 nan 8.190 nan 0.000 0.445 372 D N 5.853 126.255 120.400 0.004 0.000 2.380 372 D HA 0.345 4.985 4.640 -0.000 0.000 0.230 372 D C -0.621 175.666 176.300 -0.020 0.000 1.154 372 D CA -0.317 53.680 54.000 -0.004 0.000 0.859 372 D CB 1.337 42.132 40.800 -0.008 0.000 1.045 372 D HN 0.310 nan 8.370 nan 0.000 0.495 373 L N 2.795 124.008 121.223 -0.017 0.000 2.334 373 L HA 0.379 4.719 4.340 -0.000 0.000 0.275 373 L C -2.117 174.727 176.870 -0.043 0.000 1.036 373 L CA -2.190 52.625 54.840 -0.041 0.000 0.807 373 L CB 1.121 43.169 42.059 -0.018 0.000 1.231 373 L HN 0.182 nan 8.230 nan 0.000 0.438 374 P HA 0.020 nan 4.420 nan 0.000 0.260 374 P C -0.231 177.046 177.300 -0.039 0.000 1.185 374 P CA 0.028 63.096 63.100 -0.053 0.000 0.763 374 P CB 0.553 32.224 31.700 -0.048 0.000 0.776 375 E N 1.983 122.141 120.200 -0.069 0.000 2.153 375 E HA -0.130 4.220 4.350 -0.000 0.000 0.194 375 E C 1.728 178.338 176.600 0.017 0.000 0.988 375 E CA 0.615 56.990 56.400 -0.041 0.000 0.811 375 E CB -0.756 28.822 29.700 -0.204 0.000 0.746 375 E HN 0.203 nan 8.360 nan 0.000 0.466 376 V N 1.494 121.400 119.914 -0.013 0.000 2.568 376 V HA -0.241 3.879 4.120 -0.000 0.000 0.253 376 V C 0.882 176.996 176.094 0.032 0.000 1.072 376 V CA 1.986 64.286 62.300 0.001 0.000 1.084 376 V CB -0.241 31.574 31.823 -0.014 0.000 0.676 376 V HN 0.204 nan 8.190 nan 0.000 0.469 377 D N -0.307 120.113 120.400 0.033 0.000 2.317 377 D HA 0.085 4.725 4.640 -0.000 0.000 0.211 377 D C 0.815 177.171 176.300 0.093 0.000 0.966 377 D CA 0.503 54.531 54.000 0.047 0.000 0.876 377 D CB -0.116 40.695 40.800 0.017 0.000 0.927 377 D HN 0.408 nan 8.370 nan 0.000 0.519 378 I N 0.939 121.590 120.570 0.134 0.000 2.471 378 I HA -0.034 4.136 4.170 -0.000 0.000 0.286 378 I C 1.254 177.535 176.117 0.273 0.000 1.079 378 I CA -0.067 61.346 61.300 0.189 0.000 1.398 378 I CB 1.931 40.062 38.000 0.219 0.000 1.403 378 I HN -0.236 nan 8.210 nan 0.000 0.530 379 V N 5.638 125.662 119.914 0.184 0.000 3.635 379 V HA 0.229 4.349 4.120 -0.000 0.000 0.266 379 V C 0.328 176.472 176.094 0.085 0.000 1.316 379 V CA 0.657 63.067 62.300 0.183 0.000 1.060 379 V CB 0.286 32.185 31.823 0.127 0.000 0.820 379 V HN 0.801 nan 8.190 nan 0.000 0.447 380 E N 0.665 120.845 120.200 -0.032 0.000 2.347 380 E HA 0.334 4.684 4.350 -0.000 0.000 0.285 380 E C -1.441 174.995 176.600 -0.273 0.000 0.925 380 E CA -0.535 55.752 56.400 -0.189 0.000 0.779 380 E CB 1.643 31.327 29.700 -0.027 0.000 1.233 380 E HN 0.203 nan 8.360 nan 0.000 0.414 381 K N 2.274 122.376 120.400 -0.497 0.000 2.394 381 K HA 0.560 4.880 4.320 -0.000 0.000 0.260 381 K C -0.266 176.031 176.600 -0.505 0.000 0.967 381 K CA -0.598 55.426 56.287 -0.439 0.000 0.855 381 K CB 1.981 34.234 32.500 -0.411 0.000 1.101 381 K HN 0.539 nan 8.250 nan 0.000 0.433 382 G N 2.033 110.353 108.800 -0.799 0.000 3.176 382 G HA2 0.727 4.687 3.960 -0.000 0.000 0.272 382 G HA3 0.727 4.687 3.960 -0.000 0.000 0.272 382 G C -1.142 173.177 174.900 -0.968 0.000 1.349 382 G CA -0.800 43.693 45.100 -1.011 0.000 0.953 382 G HN 0.630 nan 8.290 nan 0.000 0.559 383 R N -1.574 118.548 120.500 -0.632 0.000 2.716 383 R HA 0.560 4.900 4.340 -0.000 0.000 0.271 383 R C -1.615 174.731 176.300 0.077 0.000 1.028 383 R CA -0.974 55.001 56.100 -0.207 0.000 0.883 383 R CB 0.924 31.139 30.300 -0.141 0.000 1.250 383 R HN 0.383 nan 8.270 nan 0.000 0.465 384 L N 1.649 122.931 121.223 0.098 0.000 2.292 384 L HA 0.614 4.954 4.340 -0.000 0.000 0.284 384 L C 0.337 177.226 176.870 0.031 0.000 1.065 384 L CA -0.692 54.195 54.840 0.078 0.000 0.806 384 L CB 1.559 43.656 42.059 0.063 0.000 1.175 384 L HN 0.879 nan 8.230 nan 0.000 0.431 385 A N 5.415 128.243 122.820 0.014 0.000 2.248 385 A HA 0.715 5.035 4.320 -0.000 0.000 0.316 385 A C -2.441 175.147 177.584 0.007 0.000 1.101 385 A CA -1.778 50.262 52.037 0.006 0.000 0.875 385 A CB 0.151 19.147 19.000 -0.006 0.000 1.207 385 A HN 0.462 nan 8.150 nan 0.000 0.504 386 P HA 0.184 nan 4.420 nan 0.000 0.258 386 P C 0.856 178.162 177.300 0.010 0.000 1.172 386 P CA 2.221 65.334 63.100 0.022 0.000 0.762 386 P CB 0.238 31.954 31.700 0.027 0.000 0.764 387 G N 1.894 110.702 108.800 0.013 0.000 2.184 387 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.264 387 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.264 387 G C 0.191 175.073 174.900 -0.030 0.000 0.975 387 G CA -0.254 44.848 45.100 0.002 0.000 0.642 387 G HN 0.558 nan 8.290 nan 0.000 0.536 388 Q N -0.297 119.476 119.800 -0.045 0.000 2.306 388 Q HA 0.721 5.061 4.340 -0.000 0.000 0.241 388 Q C 0.703 176.660 176.000 -0.072 0.000 0.948 388 Q CA 0.057 55.798 55.803 -0.103 0.000 0.886 388 Q CB 0.707 29.386 28.738 -0.099 0.000 1.227 388 Q HN 0.521 nan 8.270 nan 0.000 0.457 389 M N 1.727 121.256 119.600 -0.117 0.000 2.690 389 M HA 0.657 5.137 4.480 -0.000 0.000 0.302 389 M C -0.836 175.392 176.300 -0.120 0.000 1.234 389 M CA -0.914 54.340 55.300 -0.077 0.000 0.853 389 M CB 2.143 34.718 32.600 -0.040 0.000 1.748 389 M HN 0.609 nan 8.290 nan 0.000 0.469 390 I N 0.494 120.996 120.570 -0.114 0.000 2.918 390 I HA 0.866 5.036 4.170 -0.000 0.000 0.301 390 I C -2.003 174.037 176.117 -0.128 0.000 1.312 390 I CA -0.326 60.877 61.300 -0.161 0.000 1.007 390 I CB 2.160 39.985 38.000 -0.292 0.000 1.281 390 I HN 0.909 nan 8.210 nan 0.000 0.440 391 A N 5.151 127.891 122.820 -0.134 0.000 2.604 391 A HA 0.751 5.071 4.320 -0.000 0.000 0.295 391 A C -2.093 175.402 177.584 -0.149 0.000 1.067 391 A CA -0.489 51.451 52.037 -0.161 0.000 0.683 391 A CB 1.877 20.805 19.000 -0.120 0.000 1.281 391 A HN 0.412 nan 8.150 nan 0.000 0.407 392 V N 2.047 121.837 119.914 -0.206 0.000 2.448 392 V HA 0.354 4.474 4.120 -0.000 0.000 0.295 392 V C -0.724 175.268 176.094 -0.169 0.000 1.025 392 V CA -0.509 61.696 62.300 -0.159 0.000 0.859 392 V CB 1.692 33.428 31.823 -0.145 0.000 0.988 392 V HN 0.897 nan 8.190 nan 0.000 0.431 393 D N 4.124 124.454 120.400 -0.117 0.000 2.316 393 D HA 0.254 4.894 4.640 -0.000 0.000 0.245 393 D C 0.807 177.051 176.300 -0.093 0.000 1.171 393 D CA 0.003 53.940 54.000 -0.106 0.000 0.856 393 D CB 1.647 42.401 40.800 -0.076 0.000 1.090 393 D HN 0.394 nan 8.370 nan 0.000 0.476 394 L N 3.565 124.723 121.223 -0.108 0.000 2.049 394 L HA -0.052 4.288 4.340 -0.000 0.000 0.203 394 L C 2.561 179.407 176.870 -0.039 0.000 1.074 394 L CA 0.967 55.763 54.840 -0.074 0.000 0.749 394 L CB -0.446 41.563 42.059 -0.084 0.000 0.907 394 L HN 0.459 nan 8.230 nan 0.000 0.439 395 A N 0.165 122.959 122.820 -0.044 0.000 1.859 395 A HA -0.262 4.058 4.320 -0.000 0.000 0.217 395 A C 2.154 179.723 177.584 -0.024 0.000 1.198 395 A CA 2.012 54.032 52.037 -0.029 0.000 0.629 395 A CB -0.632 18.347 19.000 -0.034 0.000 0.830 395 A HN 0.454 nan 8.150 nan 0.000 0.446 396 E N -0.830 119.351 120.200 -0.031 0.000 2.347 396 E HA -0.072 4.278 4.350 -0.000 0.000 0.196 396 E C -0.341 176.248 176.600 -0.018 0.000 1.008 396 E CA 0.507 56.892 56.400 -0.024 0.000 0.852 396 E CB -0.080 29.602 29.700 -0.030 0.000 0.783 396 E HN 0.671 nan 8.360 nan 0.000 0.505 397 Q N 0.180 119.969 119.800 -0.020 0.000 2.460 397 Q HA -0.180 4.160 4.340 -0.000 0.000 0.311 397 Q C -0.784 175.211 176.000 -0.009 0.000 1.396 397 Q CA 0.708 56.505 55.803 -0.010 0.000 0.838 397 Q CB -1.122 27.619 28.738 0.006 0.000 1.140 397 Q HN 0.074 nan 8.270 nan 0.000 0.415 398 K N 0.372 120.758 120.400 -0.023 0.000 2.464 398 K HA 0.580 4.900 4.320 -0.000 0.000 0.253 398 K C -0.707 175.872 176.600 -0.035 0.000 0.933 398 K CA -0.913 55.361 56.287 -0.021 0.000 0.801 398 K CB 1.565 34.051 32.500 -0.024 0.000 1.271 398 K HN 0.085 nan 8.250 nan 0.000 0.430 399 I N 4.523 125.075 120.570 -0.029 0.000 2.304 399 I HA 0.202 4.372 4.170 -0.000 0.000 0.291 399 I C -0.415 175.669 176.117 -0.056 0.000 1.018 399 I CA -0.596 60.675 61.300 -0.048 0.000 1.260 399 I CB 0.591 38.567 38.000 -0.039 0.000 1.390 399 I HN 0.261 nan 8.210 nan 0.000 0.475 400 L N 7.387 128.565 121.223 -0.076 0.000 2.265 400 L HA 0.421 4.761 4.340 -0.000 0.000 0.288 400 L C 0.248 177.059 176.870 -0.099 0.000 1.058 400 L CA -0.810 53.985 54.840 -0.075 0.000 0.809 400 L CB 0.249 42.262 42.059 -0.077 0.000 1.179 400 L HN 0.435 nan 8.230 nan 0.000 0.429 401 K N 1.701 122.051 120.400 -0.083 0.000 2.098 401 K HA 0.145 4.465 4.320 -0.000 0.000 0.244 401 K C 0.777 177.288 176.600 -0.149 0.000 1.014 401 K CA -0.480 55.743 56.287 -0.107 0.000 0.917 401 K CB 0.826 33.293 32.500 -0.055 0.000 1.072 401 K HN 0.428 nan 8.250 nan 0.000 0.477 402 N N 0.703 119.267 118.700 -0.228 0.000 2.036 402 N HA -0.256 4.484 4.740 -0.000 0.000 0.199 402 N C 1.619 176.852 175.510 -0.461 0.000 1.036 402 N CA 2.066 54.880 53.050 -0.395 0.000 0.870 402 N CB -0.328 37.799 38.487 -0.601 0.000 1.055 402 N HN 0.545 nan 8.380 nan 0.000 0.436 403 Y N 0.223 120.402 120.300 -0.201 0.000 2.314 403 Y HA -0.100 4.450 4.550 -0.000 0.000 0.293 403 Y C 2.526 178.264 175.900 -0.269 0.000 1.129 403 Y CA 1.022 58.892 58.100 -0.383 0.000 1.201 403 Y CB -0.068 38.014 38.460 -0.631 0.000 0.999 403 Y HN 0.297 nan 8.280 nan 0.000 0.541 404 Q N 0.273 120.065 119.800 -0.014 0.000 2.050 404 Q HA -0.157 4.183 4.340 -0.000 0.000 0.202 404 Q C 2.119 178.087 176.000 -0.052 0.000 0.980 404 Q CA 1.883 57.686 55.803 -0.000 0.000 0.840 404 Q CB -0.411 28.329 28.738 0.003 0.000 0.898 404 Q HN 0.515 nan 8.270 nan 0.000 0.424 405 I N 1.124 121.637 120.570 -0.095 0.000 2.163 405 I HA -0.294 3.876 4.170 -0.000 0.000 0.243 405 I C 2.320 178.352 176.117 -0.143 0.000 1.085 405 I CA 1.412 62.644 61.300 -0.113 0.000 1.347 405 I CB -0.277 37.648 38.000 -0.125 0.000 1.044 405 I HN 0.184 nan 8.210 nan 0.000 0.408 406 K N 0.111 120.409 120.400 -0.170 0.000 2.103 406 K HA -0.200 4.120 4.320 -0.000 0.000 0.204 406 K C 2.150 178.625 176.600 -0.208 0.000 1.052 406 K CA 1.069 57.224 56.287 -0.221 0.000 0.945 406 K CB -0.208 32.180 32.500 -0.186 0.000 0.722 406 K HN 0.390 nan 8.250 nan 0.000 0.443 407 Q N 1.118 120.858 119.800 -0.101 0.000 2.119 407 Q HA -0.186 4.154 4.340 -0.000 0.000 0.201 407 Q C 2.035 178.016 176.000 -0.030 0.000 0.972 407 Q CA 1.338 57.133 55.803 -0.013 0.000 0.847 407 Q CB 0.168 28.974 28.738 0.115 0.000 0.903 407 Q HN 0.342 nan 8.270 nan 0.000 0.433 408 Q N -0.703 119.067 119.800 -0.051 0.000 2.084 408 Q HA -0.139 4.201 4.340 -0.000 0.000 0.202 408 Q C 1.929 177.898 176.000 -0.052 0.000 0.978 408 Q CA 1.355 57.132 55.803 -0.044 0.000 0.844 408 Q CB -0.060 28.648 28.738 -0.050 0.000 0.898 408 Q HN 0.422 nan 8.270 nan 0.000 0.426 409 A N 0.443 123.199 122.820 -0.107 0.000 1.930 409 A HA -0.053 4.267 4.320 -0.000 0.000 0.217 409 A C 2.153 179.747 177.584 0.016 0.000 1.175 409 A CA 1.450 53.434 52.037 -0.089 0.000 0.627 409 A CB -0.555 18.290 19.000 -0.259 0.000 0.815 409 A HN 0.406 nan 8.150 nan 0.000 0.443 410 A N 0.054 122.814 122.820 -0.101 0.000 2.016 410 A HA -0.087 4.233 4.320 -0.000 0.000 0.217 410 A C 2.027 179.769 177.584 0.263 0.000 1.162 410 A CA 1.311 53.387 52.037 0.064 0.000 0.662 410 A CB -0.436 18.500 19.000 -0.106 0.000 0.812 410 A HN 0.751 nan 8.150 nan 0.000 0.450 411 Q N -0.725 119.143 119.800 0.114 0.000 2.320 411 Q HA 0.171 4.511 4.340 -0.000 0.000 0.201 411 Q C 0.941 176.920 176.000 -0.033 0.000 0.910 411 Q CA 0.180 56.012 55.803 0.048 0.000 0.946 411 Q CB -0.044 28.699 28.738 0.009 0.000 1.062 411 Q HN 0.474 nan 8.270 nan 0.000 0.503 412 K N 0.028 120.428 120.400 -0.001 0.000 2.432 412 K HA 0.037 4.357 4.320 -0.000 0.000 0.196 412 K C -0.695 175.466 176.600 -0.732 0.000 1.038 412 K CA 0.650 56.775 56.287 -0.270 0.000 0.986 412 K CB 0.299 32.716 32.500 -0.139 0.000 0.782 412 K HN 0.221 nan 8.250 nan 0.000 0.485 413 Y N -0.619 119.481 120.300 -0.333 0.000 2.581 413 Y HA 0.175 4.725 4.550 -0.000 0.000 0.337 413 Y C -2.381 173.011 175.900 -0.847 0.000 1.108 413 Y CA -2.359 55.271 58.100 -0.784 0.000 1.033 413 Y CB 1.639 39.215 38.460 -1.474 0.000 1.318 413 Y HN -0.127 nan 8.280 nan 0.000 0.459 414 P HA 0.112 nan 4.420 nan 0.000 0.220 414 P C 0.054 176.804 177.300 -0.916 0.000 1.806 414 P CA 0.218 62.924 63.100 -0.657 0.000 0.976 414 P CB -0.571 30.827 31.700 -0.503 0.000 1.952 415 Y N 1.040 120.930 120.300 -0.684 0.000 2.102 415 Y HA -0.283 4.267 4.550 -0.000 0.000 0.280 415 Y C 2.824 178.605 175.900 -0.199 0.000 1.178 415 Y CA 1.927 59.716 58.100 -0.519 0.000 1.146 415 Y CB -1.405 36.862 38.460 -0.322 0.000 0.968 415 Y HN 0.206 nan 8.280 nan 0.000 0.504 416 G N -0.342 108.477 108.800 0.032 0.000 2.491 416 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.218 416 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.218 416 G C 1.462 176.389 174.900 0.045 0.000 1.180 416 G CA 1.297 46.431 45.100 0.056 0.000 0.774 416 G HN 0.426 nan 8.290 nan 0.000 0.562 417 E N -0.613 119.564 120.200 -0.039 0.000 2.097 417 E HA -0.179 4.171 4.350 -0.000 0.000 0.196 417 E C 2.316 179.009 176.600 0.154 0.000 1.000 417 E CA 1.173 57.577 56.400 0.007 0.000 0.804 417 E CB -0.156 29.505 29.700 -0.065 0.000 0.740 417 E HN 0.598 nan 8.360 nan 0.000 0.454 418 W N 0.532 121.824 121.300 -0.014 0.000 2.332 418 W HA -0.140 4.520 4.660 -0.000 0.000 0.321 418 W C 2.196 178.746 176.519 0.051 0.000 1.219 418 W CA 0.561 57.902 57.345 -0.006 0.000 1.277 418 W CB -1.220 28.201 29.460 -0.065 0.000 1.161 418 W HN 0.104 nan 8.180 nan 0.000 0.476 419 I N 0.390 121.162 120.570 0.337 0.000 2.194 419 I HA -0.362 3.808 4.170 -0.000 0.000 0.246 419 I C 2.505 178.719 176.117 0.163 0.000 1.093 419 I CA 1.868 63.310 61.300 0.237 0.000 1.355 419 I CB -0.689 37.447 38.000 0.227 0.000 1.046 419 I HN -0.068 nan 8.210 nan 0.000 0.413 420 K N 0.721 121.206 120.400 0.142 0.000 2.063 420 K HA -0.192 4.128 4.320 -0.000 0.000 0.208 420 K C 1.993 178.646 176.600 0.088 0.000 1.048 420 K CA 1.467 57.814 56.287 0.100 0.000 0.928 420 K CB 0.105 32.654 32.500 0.082 0.000 0.713 420 K HN 0.214 nan 8.250 nan 0.000 0.442 421 I N 0.602 121.235 120.570 0.105 0.000 2.494 421 I HA -0.129 4.041 4.170 -0.000 0.000 0.250 421 I C 2.042 178.199 176.117 0.067 0.000 1.112 421 I CA 1.090 62.439 61.300 0.082 0.000 1.438 421 I CB -0.863 37.193 38.000 0.093 0.000 1.111 421 I HN 0.247 nan 8.210 nan 0.000 0.431 422 Q N 0.452 120.301 119.800 0.082 0.000 2.339 422 Q HA 0.066 4.406 4.340 -0.000 0.000 0.205 422 Q C 1.279 177.312 176.000 0.054 0.000 0.925 422 Q CA 0.202 56.035 55.803 0.051 0.000 0.898 422 Q CB 0.330 29.085 28.738 0.029 0.000 1.013 422 Q HN 0.405 nan 8.270 nan 0.000 0.504 423 R N 1.716 122.265 120.500 0.081 0.000 2.265 423 R HA 0.159 4.498 4.340 -0.000 0.000 0.314 423 R C -0.448 175.885 176.300 0.056 0.000 1.053 423 R CA 0.014 56.164 56.100 0.083 0.000 0.931 423 R CB 0.652 31.027 30.300 0.125 0.000 1.024 423 R HN -0.018 nan 8.270 nan 0.000 0.457 424 Q N 2.774 122.597 119.800 0.037 0.000 2.290 424 Q HA 0.200 4.540 4.340 -0.000 0.000 0.259 424 Q C -1.129 174.870 176.000 -0.001 0.000 0.941 424 Q CA -0.434 55.378 55.803 0.016 0.000 0.912 424 Q CB 1.749 30.490 28.738 0.005 0.000 1.244 424 Q HN 0.571 nan 8.270 nan 0.000 0.441 425 T N 3.025 117.573 114.554 -0.009 0.000 2.767 425 T HA 0.359 4.709 4.350 -0.000 0.000 0.288 425 T C -0.740 173.932 174.700 -0.046 0.000 0.963 425 T CA -0.378 61.702 62.100 -0.034 0.000 1.019 425 T CB 0.947 69.802 68.868 -0.021 0.000 0.923 425 T HN 0.355 nan 8.240 nan 0.000 0.468 426 V N 3.341 123.214 119.914 -0.068 0.000 2.304 426 V HA 0.769 4.889 4.120 -0.000 0.000 0.278 426 V C -0.101 175.942 176.094 -0.085 0.000 1.018 426 V CA -0.599 61.660 62.300 -0.069 0.000 0.814 426 V CB 0.730 32.513 31.823 -0.067 0.000 1.021 426 V HN 1.067 nan 8.190 nan 0.000 0.440 427 A N 3.551 126.322 122.820 -0.081 0.000 2.517 427 A HA 0.853 5.173 4.320 -0.000 0.000 0.297 427 A C -0.676 176.847 177.584 -0.101 0.000 1.050 427 A CA -0.502 51.478 52.037 -0.095 0.000 0.694 427 A CB 2.226 21.176 19.000 -0.082 0.000 1.277 427 A HN 0.672 nan 8.150 nan 0.000 0.400 428 S N 0.586 116.201 115.700 -0.142 0.000 2.532 428 S HA 0.480 4.950 4.470 -0.000 0.000 0.299 428 S C -0.409 174.072 174.600 -0.198 0.000 1.105 428 S CA -0.497 57.608 58.200 -0.159 0.000 1.018 428 S CB 1.288 64.377 63.200 -0.184 0.000 1.021 428 S HN 0.572 nan 8.310 nan 0.000 0.483 429 D N 2.187 122.510 120.400 -0.130 0.000 2.289 429 D HA 0.151 4.791 4.640 -0.000 0.000 0.207 429 D C 0.218 176.464 176.300 -0.090 0.000 0.966 429 D CA 0.759 54.703 54.000 -0.092 0.000 0.868 429 D CB 0.345 41.125 40.800 -0.033 0.000 0.943 429 D HN 0.406 nan 8.370 nan 0.000 0.514 430 S N -0.254 115.375 115.700 -0.118 0.000 2.578 430 S HA 0.456 4.926 4.470 -0.000 0.000 0.283 430 S C -0.178 174.333 174.600 -0.150 0.000 1.195 430 S CA -0.612 57.565 58.200 -0.039 0.000 1.050 430 S CB 1.144 64.332 63.200 -0.020 0.000 1.012 430 S HN -0.089 nan 8.310 nan 0.000 0.511 431 F N 0.891 120.822 119.950 -0.033 0.000 2.518 431 F HA 0.629 5.156 4.527 -0.000 0.000 0.338 431 F C 0.663 176.440 175.800 -0.039 0.000 1.065 431 F CA -1.023 56.958 58.000 -0.031 0.000 1.012 431 F CB 0.722 39.701 39.000 -0.034 0.000 1.297 431 F HN 0.553 nan 8.300 nan 0.000 0.489 432 A N 0.963 123.891 122.820 0.180 0.000 2.376 432 A HA 0.239 4.559 4.320 -0.000 0.000 0.298 432 A C 0.906 178.527 177.584 0.063 0.000 1.271 432 A CA -0.231 51.854 52.037 0.080 0.000 0.926 432 A CB -0.227 18.799 19.000 0.044 0.000 1.141 432 A HN 0.919 nan 8.150 nan 0.000 0.539 433 E N 1.913 122.126 120.200 0.022 0.000 2.106 433 E HA -0.103 4.247 4.350 -0.000 0.000 0.192 433 E C 0.693 177.276 176.600 -0.028 0.000 0.984 433 E CA 0.658 57.038 56.400 -0.033 0.000 0.806 433 E CB 0.092 29.761 29.700 -0.053 0.000 0.750 433 E HN 0.672 nan 8.360 nan 0.000 0.458 434 K N 2.078 122.471 120.400 -0.012 0.000 2.382 434 K HA 0.001 4.321 4.320 -0.000 0.000 0.275 434 K C 0.051 176.637 176.600 -0.023 0.000 1.009 434 K CA -0.046 56.235 56.287 -0.010 0.000 0.970 434 K CB 0.711 33.208 32.500 -0.006 0.000 0.934 434 K HN -0.005 nan 8.250 nan 0.000 0.479 435 T N 0.762 115.303 114.554 -0.021 0.000 2.766 435 T HA 0.121 4.471 4.350 -0.000 0.000 0.295 435 T C 1.501 176.140 174.700 -0.101 0.000 1.024 435 T CA -0.505 61.562 62.100 -0.055 0.000 1.018 435 T CB 0.572 69.427 68.868 -0.022 0.000 1.002 435 T HN 0.554 nan 8.240 nan 0.000 0.532 436 L N -0.944 120.136 121.223 -0.239 0.000 2.221 436 L HA 0.347 4.686 4.340 -0.000 0.000 0.202 436 L C 0.401 177.147 176.870 -0.205 0.000 1.074 436 L CA 0.360 54.994 54.840 -0.343 0.000 0.795 436 L CB -0.050 41.600 42.059 -0.683 0.000 0.960 436 L HN 0.577 nan 8.230 nan 0.000 0.458 437 F N -0.835 119.133 119.950 0.029 0.000 2.470 437 F HA 0.335 4.862 4.527 -0.000 0.000 0.329 437 F C 0.936 176.748 175.800 0.021 0.000 1.072 437 F CA -1.107 56.909 58.000 0.026 0.000 0.989 437 F CB 0.855 39.872 39.000 0.029 0.000 1.193 437 F HN -0.181 nan 8.300 nan 0.000 0.481 438 N N -0.445 118.387 118.700 0.220 0.000 2.510 438 N HA 0.024 4.764 4.740 -0.000 0.000 0.186 438 N C -0.353 175.215 175.510 0.098 0.000 1.051 438 N CA 0.456 53.579 53.050 0.120 0.000 0.877 438 N CB 0.200 38.737 38.487 0.085 0.000 1.183 438 N HN 0.543 nan 8.380 nan 0.000 0.443 439 D N 0.013 120.470 120.400 0.094 0.000 2.253 439 D HA 0.335 4.975 4.640 -0.000 0.000 0.249 439 D C 0.790 177.121 176.300 0.051 0.000 1.049 439 D CA -0.218 53.814 54.000 0.054 0.000 0.929 439 D CB 2.211 43.028 40.800 0.029 0.000 1.176 439 D HN 0.010 nan 8.370 nan 0.000 0.437 440 A N 1.786 124.623 122.820 0.028 0.000 1.835 440 A HA -0.220 4.100 4.320 -0.000 0.000 0.215 440 A C 1.866 179.453 177.584 0.005 0.000 1.199 440 A CA 1.397 53.446 52.037 0.020 0.000 0.615 440 A CB -0.591 18.413 19.000 0.005 0.000 0.838 440 A HN 0.688 nan 8.150 nan 0.000 0.444 441 Q N -0.836 118.958 119.800 -0.012 0.000 2.291 441 Q HA -0.139 4.201 4.340 -0.000 0.000 0.206 441 Q C 1.876 177.842 176.000 -0.058 0.000 0.976 441 Q CA 1.650 57.433 55.803 -0.033 0.000 0.875 441 Q CB -0.253 28.467 28.738 -0.031 0.000 0.927 441 Q HN 0.682 nan 8.270 nan 0.000 0.450 442 T N -0.090 114.425 114.554 -0.065 0.000 2.746 442 T HA -0.127 4.223 4.350 -0.000 0.000 0.267 442 T C 1.820 176.407 174.700 -0.189 0.000 1.039 442 T CA 1.499 63.503 62.100 -0.161 0.000 1.142 442 T CB -0.170 68.570 68.868 -0.214 0.000 0.866 442 T HN 0.125 nan 8.240 nan 0.000 0.444 443 V N 1.130 121.028 119.914 -0.026 0.000 2.307 443 V HA -0.082 4.038 4.120 -0.000 0.000 0.245 443 V C 2.436 178.504 176.094 -0.044 0.000 1.045 443 V CA 1.103 63.445 62.300 0.071 0.000 1.024 443 V CB -0.691 31.217 31.823 0.143 0.000 0.651 443 V HN 0.271 nan 8.190 nan 0.000 0.449 444 L N -0.028 121.160 121.223 -0.058 0.000 2.012 444 L HA -0.219 4.121 4.340 -0.000 0.000 0.210 444 L C 2.610 179.413 176.870 -0.111 0.000 1.073 444 L CA 2.224 57.015 54.840 -0.082 0.000 0.748 444 L CB -0.943 41.078 42.059 -0.063 0.000 0.891 444 L HN 0.438 nan 8.230 nan 0.000 0.431 445 Q N -1.622 118.099 119.800 -0.132 0.000 2.084 445 Q HA -0.232 4.108 4.340 -0.000 0.000 0.202 445 Q C 2.128 178.018 176.000 -0.183 0.000 0.978 445 Q CA 1.430 57.109 55.803 -0.205 0.000 0.844 445 Q CB 0.013 28.628 28.738 -0.206 0.000 0.898 445 Q HN 0.502 nan 8.270 nan 0.000 0.426 446 Q N 0.317 120.061 119.800 -0.093 0.000 2.050 446 Q HA -0.210 4.130 4.340 -0.000 0.000 0.202 446 Q C 2.031 178.089 176.000 0.096 0.000 0.980 446 Q CA 1.673 57.516 55.803 0.066 0.000 0.840 446 Q CB -0.219 28.562 28.738 0.072 0.000 0.898 446 Q HN 0.571 nan 8.270 nan 0.000 0.424 447 Q N -0.006 119.733 119.800 -0.100 0.000 2.096 447 Q HA -0.128 4.212 4.340 -0.000 0.000 0.204 447 Q C 2.045 178.061 176.000 0.027 0.000 0.982 447 Q CA 1.528 57.181 55.803 -0.249 0.000 0.850 447 Q CB -0.199 28.279 28.738 -0.434 0.000 0.901 447 Q HN 0.392 nan 8.270 nan 0.000 0.422 448 A N 0.833 123.643 122.820 -0.017 0.000 1.898 448 A HA -0.078 4.242 4.320 -0.000 0.000 0.216 448 A C 2.255 179.869 177.584 0.050 0.000 1.181 448 A CA 1.490 53.541 52.037 0.024 0.000 0.620 448 A CB -0.689 18.278 19.000 -0.055 0.000 0.819 448 A HN 0.398 nan 8.150 nan 0.000 0.442 449 A N -1.314 121.485 122.820 -0.035 0.000 1.930 449 A HA 0.077 4.397 4.320 -0.000 0.000 0.217 449 A C 1.643 179.225 177.584 -0.003 0.000 1.175 449 A CA 1.141 53.162 52.037 -0.027 0.000 0.627 449 A CB -0.617 18.311 19.000 -0.121 0.000 0.815 449 A HN 0.473 nan 8.150 nan 0.000 0.443 450 F N -0.510 119.525 119.950 0.142 0.000 2.773 450 F HA 0.349 4.876 4.527 -0.000 0.000 0.304 450 F C 1.744 177.593 175.800 0.082 0.000 1.129 450 F CA 0.735 58.817 58.000 0.137 0.000 1.378 450 F CB 0.196 39.228 39.000 0.053 0.000 1.095 450 F HN 0.368 nan 8.300 nan 0.000 0.565 451 G N -0.986 107.700 108.800 -0.189 0.000 2.141 451 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.231 451 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.231 451 G C -0.059 174.717 174.900 -0.207 0.000 0.984 451 G CA -0.680 43.789 45.100 -1.052 0.000 0.660 451 G HN 0.229 nan 8.290 nan 0.000 0.525 452 Y N 1.320 121.514 120.300 -0.177 0.000 2.511 452 Y HA 0.488 5.038 4.550 0.000 0.000 0.332 452 Y C 1.391 177.249 175.900 -0.070 0.000 1.177 452 Y CA 0.899 58.784 58.100 -0.358 0.000 1.422 452 Y CB 0.900 39.088 38.460 -0.454 0.000 1.271 452 Y HN 0.078 nan 8.280 nan 0.000 0.550 453 T N 1.846 116.486 114.554 0.144 0.000 2.950 453 T HA 0.482 4.832 4.350 -0.000 0.000 0.288 453 T C 1.080 175.845 174.700 0.109 0.000 1.035 453 T CA -0.093 62.157 62.100 0.250 0.000 1.028 453 T CB 1.571 70.747 68.868 0.513 0.000 1.109 453 T HN 0.772 nan 8.240 nan 0.000 0.514 454 A N 1.180 124.036 122.820 0.060 0.000 1.903 454 A HA -0.165 4.155 4.320 -0.000 0.000 0.219 454 A C 1.904 179.507 177.584 0.031 0.000 1.191 454 A CA 2.056 54.100 52.037 0.013 0.000 0.638 454 A CB -0.739 18.240 19.000 -0.034 0.000 0.823 454 A HN 0.937 nan 8.150 nan 0.000 0.451 455 E N -0.337 119.911 120.200 0.079 0.000 2.204 455 E HA -0.152 4.197 4.350 -0.000 0.000 0.194 455 E C 1.332 177.986 176.600 0.091 0.000 0.989 455 E CA 0.834 57.288 56.400 0.090 0.000 0.824 455 E CB -0.181 29.612 29.700 0.156 0.000 0.756 455 E HN 0.582 nan 8.360 nan 0.000 0.477 456 D N 0.431 120.891 120.400 0.101 0.000 2.117 456 D HA -0.146 4.494 4.640 -0.000 0.000 0.197 456 D C 2.144 178.362 176.300 -0.137 0.000 0.987 456 D CA 1.311 55.309 54.000 -0.004 0.000 0.829 456 D CB -0.061 40.591 40.800 -0.247 0.000 0.961 456 D HN 0.172 nan 8.370 nan 0.000 0.460 457 V N 0.196 120.041 119.914 -0.115 0.000 2.446 457 V HA -0.094 4.026 4.120 -0.000 0.000 0.244 457 V C 1.868 177.902 176.094 -0.100 0.000 1.039 457 V CA 1.421 63.655 62.300 -0.109 0.000 1.045 457 V CB -0.167 31.610 31.823 -0.075 0.000 0.681 457 V HN -0.050 nan 8.190 nan 0.000 0.459 458 E N 0.071 120.239 120.200 -0.053 0.000 2.072 458 E HA -0.065 4.285 4.350 -0.000 0.000 0.190 458 E C 2.213 178.784 176.600 -0.048 0.000 0.982 458 E CA 1.962 58.335 56.400 -0.044 0.000 0.803 458 E CB -0.162 29.534 29.700 -0.007 0.000 0.755 458 E HN 0.566 nan 8.360 nan 0.000 0.453 459 M N -0.491 119.093 119.600 -0.027 0.000 2.516 459 M HA 0.050 4.530 4.480 -0.000 0.000 0.259 459 M C 1.683 177.973 176.300 -0.016 0.000 1.146 459 M CA 0.596 55.878 55.300 -0.030 0.000 1.122 459 M CB 0.735 33.307 32.600 -0.047 0.000 1.341 459 M HN 0.024 nan 8.290 nan 0.000 0.478 460 V N -0.881 119.040 119.914 0.011 0.000 2.870 460 V HA 0.004 4.124 4.120 -0.000 0.000 0.232 460 V C 2.200 178.329 176.094 0.059 0.000 1.161 460 V CA 0.494 62.832 62.300 0.064 0.000 1.204 460 V CB 0.125 32.052 31.823 0.173 0.000 1.003 460 V HN 0.067 nan 8.190 nan 0.000 0.499 461 V N 0.280 120.220 119.914 0.042 0.000 2.295 461 V HA -0.205 3.914 4.120 -0.000 0.000 0.246 461 V C 2.447 178.455 176.094 -0.145 0.000 1.049 461 V CA 2.021 64.348 62.300 0.044 0.000 1.024 461 V CB -0.382 31.422 31.823 -0.030 0.000 0.648 461 V HN 0.367 nan 8.190 nan 0.000 0.447 462 V N 0.355 120.077 119.914 -0.321 0.000 2.255 462 V HA -0.172 3.948 4.120 -0.000 0.000 0.247 462 V C 0.144 175.987 176.094 -0.417 0.000 1.051 462 V CA 2.712 64.624 62.300 -0.648 0.000 1.018 462 V CB -1.816 29.616 31.823 -0.651 0.000 0.641 462 V HN 0.514 nan 8.190 nan 0.000 0.445 463 P HA -0.145 nan 4.420 nan 0.000 0.216 463 P C 1.919 179.188 177.300 -0.052 0.000 1.150 463 P CA 1.598 64.649 63.100 -0.081 0.000 0.837 463 P CB -0.099 31.587 31.700 -0.025 0.000 0.786 464 M N -1.249 118.333 119.600 -0.031 0.000 2.132 464 M HA -0.114 4.366 4.480 -0.000 0.000 0.263 464 M C 2.126 178.445 176.300 0.032 0.000 1.065 464 M CA 1.992 57.302 55.300 0.016 0.000 1.122 464 M CB -0.750 31.895 32.600 0.076 0.000 1.365 464 M HN -0.084 nan 8.290 nan 0.000 0.411 465 A N -0.031 122.778 122.820 -0.018 0.000 1.929 465 A HA -0.112 4.208 4.320 -0.000 0.000 0.216 465 A C 2.265 179.856 177.584 0.011 0.000 1.176 465 A CA 1.853 53.879 52.037 -0.019 0.000 0.628 465 A CB -0.687 18.206 19.000 -0.178 0.000 0.816 465 A HN 0.557 nan 8.150 nan 0.000 0.444 466 S N -1.107 114.556 115.700 -0.063 0.000 2.425 466 S HA -0.050 4.420 4.470 -0.000 0.000 0.225 466 S C 1.721 176.387 174.600 0.111 0.000 1.024 466 S CA 1.032 59.308 58.200 0.127 0.000 0.951 466 S CB -0.184 63.120 63.200 0.174 0.000 0.796 466 S HN 0.644 nan 8.310 nan 0.000 0.498 467 Q N 0.204 120.038 119.800 0.056 0.000 2.350 467 Q HA 0.348 4.688 4.340 -0.000 0.000 0.225 467 Q C 1.103 177.130 176.000 0.044 0.000 0.878 467 Q CA 0.256 56.093 55.803 0.057 0.000 0.935 467 Q CB 0.603 29.371 28.738 0.049 0.000 1.099 467 Q HN 0.717 nan 8.270 nan 0.000 0.527 468 G N 2.296 111.115 108.800 0.033 0.000 2.160 468 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.251 468 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.251 468 G C -0.270 174.632 174.900 0.003 0.000 1.008 468 G CA 0.942 46.053 45.100 0.017 0.000 0.724 468 G HN 0.337 nan 8.290 nan 0.000 0.514 469 K N -0.254 120.149 120.400 0.004 0.000 2.532 469 K HA 0.613 4.933 4.320 -0.000 0.000 0.265 469 K C 0.025 176.624 176.600 -0.001 0.000 0.948 469 K CA -0.913 55.374 56.287 -0.000 0.000 0.842 469 K CB 1.514 34.025 32.500 0.018 0.000 1.392 469 K HN 0.370 nan 8.250 nan 0.000 0.436 470 E N 2.056 122.251 120.200 -0.009 0.000 2.415 470 E HA 0.123 4.473 4.350 -0.000 0.000 0.262 470 E C -1.845 174.768 176.600 0.021 0.000 1.038 470 E CA -1.490 54.911 56.400 0.003 0.000 0.921 470 E CB -0.178 29.522 29.700 0.000 0.000 0.950 470 E HN 0.334 nan 8.360 nan 0.000 0.438 471 P HA 0.052 nan 4.420 nan 0.000 0.272 471 P C -0.699 176.626 177.300 0.040 0.000 1.223 471 P CA -0.354 62.767 63.100 0.035 0.000 0.784 471 P CB 0.973 32.684 31.700 0.019 0.000 0.923 472 T N 2.366 116.952 114.554 0.053 0.000 2.867 472 T HA 0.515 4.865 4.350 -0.000 0.000 0.282 472 T C -0.561 174.125 174.700 -0.023 0.000 1.000 472 T CA 0.166 62.276 62.100 0.017 0.000 1.042 472 T CB 0.347 69.235 68.868 0.034 0.000 0.973 472 T HN 0.250 nan 8.240 nan 0.000 0.465 473 F N 1.435 121.178 119.950 -0.346 0.000 3.043 473 F HA 0.770 5.297 4.527 -0.000 0.000 0.357 473 F C -0.543 174.962 175.800 -0.491 0.000 1.302 473 F CA -1.328 56.370 58.000 -0.503 0.000 1.069 473 F CB 0.903 39.793 39.000 -0.183 0.000 1.539 473 F HN 0.784 nan 8.300 nan 0.000 0.505 474 C N 0.325 119.137 119.300 -0.813 0.000 3.323 474 C HA 0.818 5.278 4.460 -0.000 0.000 0.324 474 C C -0.597 174.186 174.990 -0.344 0.000 1.428 474 C CA -1.331 57.416 59.018 -0.452 0.000 1.368 474 C CB 1.128 28.690 27.740 -0.297 0.000 1.731 474 C HN 1.039 nan 8.230 nan 0.000 0.455 475 M N 0.098 119.606 119.600 -0.154 0.000 7.319 475 M HA 0.009 4.489 4.480 -0.000 0.000 0.157 475 M C 0.353 176.657 176.300 0.007 0.000 0.480 475 M CA 1.609 56.875 55.300 -0.058 0.000 1.311 475 M CB -1.922 30.645 32.600 -0.054 0.000 0.421 475 M HN 1.656 nan 8.290 nan 0.000 0.190 476 G N -0.042 108.777 108.800 0.033 0.000 2.522 476 G HA2 0.459 4.419 3.960 -0.000 0.000 0.304 476 G HA3 0.459 4.419 3.960 -0.000 0.000 0.304 476 G C -0.845 174.088 174.900 0.056 0.000 1.210 476 G CA -0.130 44.987 45.100 0.027 0.000 0.960 476 G HN 0.748 nan 8.290 nan 0.000 0.497 477 D N -0.935 119.465 120.400 0.001 0.000 2.344 477 D HA 0.184 4.824 4.640 -0.000 0.000 0.253 477 D C 0.061 176.350 176.300 -0.018 0.000 1.255 477 D CA -0.195 53.809 54.000 0.006 0.000 0.894 477 D CB 1.349 42.147 40.800 -0.003 0.000 1.067 477 D HN 0.243 nan 8.370 nan 0.000 0.492 478 D N 1.617 122.036 120.400 0.031 0.000 2.407 478 D HA 0.028 4.668 4.640 -0.000 0.000 0.208 478 D C 0.158 176.415 176.300 -0.072 0.000 1.083 478 D CA 0.251 54.274 54.000 0.040 0.000 0.844 478 D CB 0.503 41.433 40.800 0.218 0.000 0.967 478 D HN 0.470 nan 8.370 nan 0.000 0.506 479 T N -2.216 112.269 114.554 -0.114 0.000 2.944 479 T HA 0.642 4.992 4.350 -0.000 0.000 0.284 479 T C -2.650 172.045 174.700 -0.008 0.000 1.010 479 T CA -1.975 60.043 62.100 -0.137 0.000 1.025 479 T CB 1.605 70.380 68.868 -0.155 0.000 1.079 479 T HN -0.275 nan 8.240 nan 0.000 0.516 480 P HA 0.185 nan 4.420 nan 0.000 0.267 480 P C -0.149 177.127 177.300 -0.039 0.000 1.200 480 P CA -0.407 62.693 63.100 -0.001 0.000 0.772 480 P CB 0.201 31.878 31.700 -0.039 0.000 0.855 481 L N 1.676 122.873 121.223 -0.043 0.000 2.559 481 L HA -0.091 4.249 4.340 -0.000 0.000 0.282 481 L C 1.909 178.662 176.870 -0.194 0.000 1.232 481 L CA 0.010 54.782 54.840 -0.112 0.000 0.885 481 L CB -0.283 41.707 42.059 -0.114 0.000 1.131 481 L HN 0.511 nan 8.230 nan 0.000 0.498 482 A N 3.800 126.429 122.820 -0.319 0.000 1.944 482 A HA -0.237 4.083 4.320 -0.000 0.000 0.222 482 A C 2.143 179.475 177.584 -0.420 0.000 1.237 482 A CA 2.500 54.220 52.037 -0.528 0.000 0.668 482 A CB -0.802 17.557 19.000 -1.068 0.000 0.830 482 A HN 0.663 nan 8.150 nan 0.000 0.471 483 V N -0.494 119.256 119.914 -0.273 0.000 2.626 483 V HA -0.101 4.019 4.120 -0.000 0.000 0.252 483 V C 2.149 178.223 176.094 -0.034 0.000 1.067 483 V CA 1.916 64.244 62.300 0.047 0.000 1.081 483 V CB -0.292 31.632 31.823 0.168 0.000 0.686 483 V HN 0.567 nan 8.190 nan 0.000 0.468 484 L N -0.576 120.586 121.223 -0.102 0.000 2.375 484 L HA 0.144 4.484 4.340 -0.000 0.000 0.215 484 L C 1.502 178.223 176.870 -0.249 0.000 1.108 484 L CA 0.326 55.085 54.840 -0.135 0.000 0.830 484 L CB -0.217 41.776 42.059 -0.110 0.000 0.959 484 L HN 0.234 nan 8.230 nan 0.000 0.457 485 S N -0.800 114.773 115.700 -0.212 0.000 2.568 485 S HA -0.036 4.433 4.470 -0.000 0.000 0.282 485 S C 0.972 175.414 174.600 -0.263 0.000 1.338 485 S CA -0.121 57.940 58.200 -0.232 0.000 1.045 485 S CB 0.398 63.530 63.200 -0.113 0.000 0.873 485 S HN 0.330 nan 8.310 nan 0.000 0.516 486 H N 1.399 120.458 119.070 -0.018 0.000 2.563 486 H HA 0.251 4.807 4.556 -0.000 0.000 0.264 486 H C 0.124 175.411 175.328 -0.068 0.000 0.957 486 H CA 0.014 56.042 56.048 -0.033 0.000 1.173 486 H CB 0.355 30.103 29.762 -0.023 0.000 1.420 486 H HN 0.241 nan 8.280 nan 0.000 0.551 487 K N 2.532 122.920 120.400 -0.020 0.000 2.143 487 K HA 0.195 4.515 4.320 -0.000 0.000 0.272 487 K C -2.558 173.919 176.600 -0.206 0.000 1.001 487 K CA -2.318 53.846 56.287 -0.204 0.000 0.915 487 K CB 0.692 32.985 32.500 -0.345 0.000 1.047 487 K HN 0.053 nan 8.250 nan 0.000 0.458 488 P HA 0.054 nan 4.420 nan 0.000 0.265 488 P C -0.331 176.918 177.300 -0.085 0.000 1.193 488 P CA 0.148 63.034 63.100 -0.356 0.000 0.765 488 P CB 0.673 31.873 31.700 -0.832 0.000 0.823 489 R N 1.892 122.438 120.500 0.077 0.000 2.836 489 R HA 0.564 4.904 4.340 -0.000 0.000 0.269 489 R C -0.136 176.427 176.300 0.438 0.000 1.010 489 R CA -1.238 55.005 56.100 0.238 0.000 0.930 489 R CB 1.032 31.331 30.300 -0.003 0.000 1.218 489 R HN 0.430 nan 8.270 nan 0.000 0.473 490 L N 1.605 123.069 121.223 0.401 0.000 2.357 490 L HA 0.227 4.567 4.340 -0.000 0.000 0.273 490 L C 1.831 178.898 176.870 0.329 0.000 1.080 490 L CA -0.637 54.408 54.840 0.343 0.000 0.803 490 L CB 0.459 42.668 42.059 0.249 0.000 1.174 490 L HN 0.376 nan 8.230 nan 0.000 0.443 491 L N 2.352 123.682 121.223 0.179 0.000 2.151 491 L HA -0.284 4.056 4.340 -0.000 0.000 0.215 491 L C 2.126 179.172 176.870 0.294 0.000 1.084 491 L CA 2.029 56.962 54.840 0.155 0.000 0.764 491 L CB -0.758 41.263 42.059 -0.062 0.000 0.891 491 L HN 0.532 nan 8.230 nan 0.000 0.435 492 Y N -0.473 119.928 120.300 0.168 0.000 2.151 492 Y HA -0.295 4.255 4.550 -0.000 0.000 0.284 492 Y C 2.358 178.482 175.900 0.373 0.000 1.166 492 Y CA 1.194 59.371 58.100 0.129 0.000 1.163 492 Y CB -0.445 37.987 38.460 -0.046 0.000 0.974 492 Y HN 0.267 nan 8.280 nan 0.000 0.511 493 D N -0.874 119.808 120.400 0.470 0.000 2.309 493 D HA -0.167 4.473 4.640 -0.000 0.000 0.212 493 D C 1.053 177.422 176.300 0.114 0.000 0.968 493 D CA 1.226 55.392 54.000 0.276 0.000 0.882 493 D CB -0.294 40.525 40.800 0.031 0.000 0.918 493 D HN 0.484 nan 8.370 nan 0.000 0.503 494 Y N -0.987 119.384 120.300 0.119 0.000 2.490 494 Y HA 0.149 4.699 4.550 -0.000 0.000 0.281 494 Y C 0.338 176.084 175.900 -0.256 0.000 1.174 494 Y CA -0.148 57.888 58.100 -0.107 0.000 1.295 494 Y CB -0.157 38.154 38.460 -0.249 0.000 1.062 494 Y HN -0.202 nan 8.280 nan 0.000 0.522 495 F N 1.501 121.585 119.950 0.222 0.000 2.404 495 F HA 0.387 4.914 4.527 -0.000 0.000 0.354 495 F C 0.200 176.264 175.800 0.440 0.000 1.122 495 F CA -1.129 57.008 58.000 0.229 0.000 1.080 495 F CB 0.795 39.794 39.000 -0.002 0.000 1.131 495 F HN -0.331 nan 8.300 nan 0.000 0.471 496 K N 3.720 124.418 120.400 0.496 0.000 2.159 496 K HA 0.312 4.632 4.320 -0.000 0.000 0.266 496 K C -0.357 176.562 176.600 0.532 0.000 0.975 496 K CA -0.727 55.825 56.287 0.441 0.000 0.865 496 K CB 1.625 34.260 32.500 0.224 0.000 1.087 496 K HN 0.672 nan 8.250 nan 0.000 0.446 497 Q N 2.130 122.195 119.800 0.442 0.000 2.337 497 Q HA 0.088 4.428 4.340 -0.000 0.000 0.270 497 Q C 0.084 176.146 176.000 0.103 0.000 1.002 497 Q CA 0.409 56.275 55.803 0.104 0.000 0.888 497 Q CB 0.739 29.562 28.738 0.141 0.000 1.222 497 Q HN 0.202 nan 8.270 nan 0.000 0.400 498 R N 1.568 122.013 120.500 -0.092 0.000 2.553 498 R HA 0.625 4.965 4.340 -0.000 0.000 0.263 498 R C -0.574 175.672 176.300 -0.090 0.000 1.066 498 R CA -0.397 55.590 56.100 -0.187 0.000 1.135 498 R CB 0.664 30.829 30.300 -0.225 0.000 1.148 498 R HN 0.545 nan 8.270 nan 0.000 0.558 499 F N -2.467 117.487 119.950 0.008 0.000 2.713 499 F HA 0.647 5.174 4.527 -0.000 0.000 0.311 499 F C -1.169 174.646 175.800 0.026 0.000 1.141 499 F CA -1.693 56.317 58.000 0.017 0.000 0.939 499 F CB 0.787 39.804 39.000 0.028 0.000 1.325 499 F HN 0.533 nan 8.300 nan 0.000 0.453 500 A N 1.803 124.766 122.820 0.237 0.000 2.354 500 A HA 0.646 4.966 4.320 -0.000 0.000 0.269 500 A C -0.663 177.077 177.584 0.260 0.000 1.109 500 A CA -0.194 51.942 52.037 0.165 0.000 0.800 500 A CB 0.423 19.494 19.000 0.118 0.000 1.045 500 A HN 0.955 nan 8.150 nan 0.000 0.489 501 Q N 1.571 121.475 119.800 0.172 0.000 2.327 501 Q HA 0.526 4.866 4.340 -0.000 0.000 0.265 501 Q C -0.342 175.711 176.000 0.088 0.000 0.993 501 Q CA -0.387 55.516 55.803 0.167 0.000 0.885 501 Q CB 1.109 29.997 28.738 0.250 0.000 1.379 501 Q HN 1.091 nan 8.270 nan 0.000 0.408 502 V N 0.749 120.699 119.914 0.060 0.000 0.588 502 V HA -0.473 3.647 4.120 -0.000 0.000 0.092 502 V C 1.919 178.014 176.094 0.002 0.000 1.830 502 V CA 3.175 65.483 62.300 0.014 0.000 3.401 502 V CB -2.379 29.444 31.823 -0.001 0.000 0.689 502 V HN 1.046 nan 8.190 nan 0.000 0.712 503 T N -0.191 114.365 114.554 0.002 0.000 2.962 503 T HA 0.048 4.398 4.350 -0.000 0.000 0.270 503 T C 0.521 175.232 174.700 0.019 0.000 1.088 503 T CA 1.511 63.604 62.100 -0.012 0.000 1.127 503 T CB -0.343 68.522 68.868 -0.005 0.000 0.883 503 T HN 1.231 nan 8.240 nan 0.000 0.493 504 N N 0.413 119.140 118.700 0.045 0.000 2.636 504 N HA 0.290 5.030 4.740 -0.000 0.000 0.261 504 N C -3.893 171.664 175.510 0.078 0.000 1.195 504 N CA -1.618 51.470 53.050 0.062 0.000 0.902 504 N CB 2.305 40.824 38.487 0.054 0.000 1.627 504 N HN -0.045 nan 8.380 nan 0.000 0.491 505 P HA 0.465 nan 4.420 nan 0.000 0.287 505 P C -2.783 174.550 177.300 0.055 0.000 1.270 505 P CA -1.391 61.765 63.100 0.093 0.000 0.844 505 P CB 0.590 32.376 31.700 0.143 0.000 1.068 506 P HA 0.141 nan 4.420 nan 0.000 0.270 506 P C -0.078 177.229 177.300 0.012 0.000 1.223 506 P CA 0.185 63.314 63.100 0.048 0.000 0.785 506 P CB 0.361 32.091 31.700 0.050 0.000 0.923 507 I N -2.418 118.160 120.570 0.013 0.000 2.863 507 I HA 0.519 4.689 4.170 -0.000 0.000 0.311 507 I C -0.140 175.990 176.117 0.021 0.000 1.026 507 I CA -1.038 60.264 61.300 0.004 0.000 1.077 507 I CB 1.624 39.620 38.000 -0.008 0.000 1.262 507 I HN 0.036 nan 8.210 nan 0.000 0.461 508 D N 5.362 125.785 120.400 0.038 0.000 2.336 508 D HA 0.242 4.882 4.640 -0.000 0.000 0.249 508 D C -1.704 174.605 176.300 0.014 0.000 1.213 508 D CA -2.172 51.865 54.000 0.061 0.000 0.870 508 D CB 1.495 42.393 40.800 0.164 0.000 1.076 508 D HN 0.376 nan 8.370 nan 0.000 0.483 509 P HA -0.011 nan 4.420 nan 0.000 0.237 509 P C 1.143 178.390 177.300 -0.088 0.000 1.178 509 P CA 0.466 63.547 63.100 -0.031 0.000 0.766 509 P CB 0.699 32.422 31.700 0.038 0.000 0.876 510 L N -1.361 119.839 121.223 -0.038 0.000 2.488 510 L HA 0.232 4.572 4.340 -0.000 0.000 0.186 510 L C 2.539 179.371 176.870 -0.063 0.000 1.124 510 L CA 0.225 55.037 54.840 -0.046 0.000 0.838 510 L CB -0.548 41.517 42.059 0.011 0.000 1.107 510 L HN -0.299 nan 8.230 nan 0.000 0.494 511 R N 0.751 121.232 120.500 -0.033 0.000 2.148 511 R HA -0.068 4.272 4.340 -0.000 0.000 0.227 511 R C 0.820 177.058 176.300 -0.103 0.000 1.103 511 R CA 0.999 57.041 56.100 -0.097 0.000 0.983 511 R CB -0.126 30.068 30.300 -0.177 0.000 0.874 511 R HN 0.367 nan 8.270 nan 0.000 0.451 512 E N -1.149 119.000 120.200 -0.086 0.000 2.789 512 E HA 0.088 4.438 4.350 -0.000 0.000 0.208 512 E C 0.186 176.721 176.600 -0.109 0.000 0.988 512 E CA -0.198 56.152 56.400 -0.084 0.000 1.092 512 E CB 0.382 30.017 29.700 -0.108 0.000 1.066 512 E HN 0.197 nan 8.360 nan 0.000 0.465 513 N N 1.120 119.715 118.700 -0.175 0.000 2.258 513 N HA -0.173 4.567 4.740 -0.000 0.000 0.187 513 N C 1.689 177.042 175.510 -0.262 0.000 1.012 513 N CA 1.124 53.983 53.050 -0.318 0.000 0.870 513 N CB 0.080 38.327 38.487 -0.400 0.000 0.977 513 N HN 0.160 nan 8.380 nan 0.000 0.434 514 L N -1.580 119.551 121.223 -0.153 0.000 2.353 514 L HA 0.055 4.395 4.340 -0.000 0.000 0.220 514 L C 1.609 178.422 176.870 -0.095 0.000 1.133 514 L CA 1.013 55.783 54.840 -0.117 0.000 0.798 514 L CB -1.359 40.653 42.059 -0.077 0.000 0.922 514 L HN 0.014 nan 8.230 nan 0.000 0.445 515 V N -0.616 119.253 119.914 -0.075 0.000 3.608 515 V HA 0.212 4.332 4.120 -0.000 0.000 0.269 515 V C 1.189 177.270 176.094 -0.023 0.000 1.245 515 V CA 0.397 62.677 62.300 -0.034 0.000 1.138 515 V CB -0.069 31.756 31.823 0.004 0.000 0.841 515 V HN 0.347 nan 8.190 nan 0.000 0.451 516 M N -0.768 118.798 119.600 -0.056 0.000 2.598 516 M HA 0.476 4.956 4.480 -0.000 0.000 0.317 516 M C -0.305 176.082 176.300 0.144 0.000 1.201 516 M CA -0.002 55.323 55.300 0.043 0.000 0.971 516 M CB 1.996 34.597 32.600 0.002 0.000 1.657 516 M HN 0.023 nan 8.290 nan 0.000 0.470 517 S N 0.627 116.496 115.700 0.282 0.000 2.543 517 S HA 0.459 4.929 4.470 -0.000 0.000 0.271 517 S C -0.462 174.240 174.600 0.170 0.000 1.148 517 S CA -0.547 57.801 58.200 0.246 0.000 0.914 517 S CB 1.235 64.513 63.200 0.130 0.000 1.096 517 S HN 0.609 nan 8.310 nan 0.000 0.471 518 L N 3.130 124.381 121.223 0.046 0.000 2.592 518 L HA 0.488 4.828 4.340 -0.000 0.000 0.227 518 L C 1.509 178.327 176.870 -0.086 0.000 1.127 518 L CA 0.507 55.264 54.840 -0.137 0.000 0.884 518 L CB -1.157 40.694 42.059 -0.347 0.000 1.065 518 L HN 0.822 nan 8.230 nan 0.000 0.457 519 A N 0.429 123.225 122.820 -0.041 0.000 2.609 519 A HA 0.244 4.564 4.320 -0.000 0.000 0.232 519 A C 0.446 177.953 177.584 -0.128 0.000 1.041 519 A CA 0.784 52.757 52.037 -0.108 0.000 0.753 519 A CB -0.006 18.955 19.000 -0.065 0.000 0.966 519 A HN 0.198 nan 8.150 nan 0.000 0.510 520 M N 0.593 120.014 119.600 -0.299 0.000 2.667 520 M HA 0.602 5.082 4.480 -0.000 0.000 0.286 520 M C -1.524 174.486 176.300 -0.484 0.000 1.270 520 M CA -0.306 54.854 55.300 -0.234 0.000 0.826 520 M CB 1.744 34.239 32.600 -0.176 0.000 1.743 520 M HN 0.554 nan 8.290 nan 0.000 0.460 521 F N 1.593 121.475 119.950 -0.113 0.000 2.562 521 F HA 0.578 5.105 4.527 -0.000 0.000 0.319 521 F C -0.637 175.107 175.800 -0.094 0.000 1.154 521 F CA -0.482 57.460 58.000 -0.097 0.000 0.931 521 F CB 1.464 40.398 39.000 -0.110 0.000 1.198 521 F HN 0.269 nan 8.300 nan 0.000 0.444 522 L N 3.356 124.619 121.223 0.066 0.000 2.309 522 L HA 0.889 5.229 4.340 -0.000 0.000 0.282 522 L C 0.619 177.512 176.870 0.040 0.000 1.036 522 L CA -0.295 54.564 54.840 0.030 0.000 0.806 522 L CB 1.321 43.378 42.059 -0.003 0.000 1.220 522 L HN 0.886 nan 8.230 nan 0.000 0.429 523 G N 2.437 111.256 108.800 0.033 0.000 2.384 523 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.200 523 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.200 523 G C -0.801 174.106 174.900 0.011 0.000 1.205 523 G CA -0.724 44.389 45.100 0.021 0.000 1.116 523 G HN 0.557 nan 8.290 nan 0.000 0.547 524 K N 1.179 121.575 120.400 -0.006 0.000 2.379 524 K HA 0.285 4.605 4.320 -0.000 0.000 0.284 524 K C 0.573 177.140 176.600 -0.055 0.000 1.044 524 K CA -0.236 56.038 56.287 -0.021 0.000 0.974 524 K CB 0.222 32.704 32.500 -0.030 0.000 0.962 524 K HN 0.432 nan 8.250 nan 0.000 0.474 525 R N 2.425 122.888 120.500 -0.061 0.000 2.316 525 R HA 0.081 4.421 4.340 -0.000 0.000 0.314 525 R C 0.418 176.655 176.300 -0.104 0.000 1.069 525 R CA -0.154 55.878 56.100 -0.113 0.000 0.959 525 R CB 1.013 31.240 30.300 -0.121 0.000 0.987 525 R HN 0.758 nan 8.270 nan 0.000 0.446 526 G N 1.843 110.553 108.800 -0.149 0.000 2.580 526 G HA2 -0.074 3.886 3.960 -0.000 0.000 0.278 526 G HA3 -0.074 3.886 3.960 -0.000 0.000 0.278 526 G C -0.022 174.817 174.900 -0.102 0.000 1.212 526 G CA -0.570 44.451 45.100 -0.132 0.000 0.939 526 G HN 0.537 nan 8.290 nan 0.000 0.513 527 N N -0.202 118.450 118.700 -0.081 0.000 2.332 527 N HA -0.070 4.670 4.740 -0.000 0.000 0.274 527 N C 1.263 176.754 175.510 -0.032 0.000 1.351 527 N CA -0.229 52.790 53.050 -0.052 0.000 0.875 527 N CB 0.860 39.316 38.487 -0.050 0.000 1.140 527 N HN 0.330 nan 8.380 nan 0.000 0.489 528 L N 5.313 126.527 121.223 -0.014 0.000 2.179 528 L HA 0.046 4.386 4.340 -0.000 0.000 0.208 528 L C 1.751 178.651 176.870 0.051 0.000 1.096 528 L CA 1.448 56.306 54.840 0.030 0.000 0.779 528 L CB -0.064 42.007 42.059 0.020 0.000 0.922 528 L HN 0.657 nan 8.230 nan 0.000 0.443 529 L N -1.271 119.952 121.223 0.001 0.000 2.418 529 L HA 0.098 4.438 4.340 -0.000 0.000 0.218 529 L C 0.548 177.430 176.870 0.020 0.000 1.125 529 L CA 0.327 55.157 54.840 -0.016 0.000 0.835 529 L CB -0.181 41.823 42.059 -0.092 0.000 0.953 529 L HN 0.204 nan 8.230 nan 0.000 0.454 530 E N 0.631 120.845 120.200 0.024 0.000 2.343 530 E HA 0.287 4.637 4.350 -0.000 0.000 0.260 530 E C -2.489 174.103 176.600 -0.012 0.000 0.908 530 E CA -1.995 54.420 56.400 0.025 0.000 0.814 530 E CB 2.115 31.824 29.700 0.015 0.000 1.302 530 E HN -0.132 nan 8.360 nan 0.000 0.408 531 P HA 0.109 nan 4.420 nan 0.000 0.271 531 P C -1.197 175.953 177.300 -0.251 0.000 1.226 531 P CA 0.143 63.149 63.100 -0.157 0.000 0.765 531 P CB 0.533 31.896 31.700 -0.561 0.000 0.835 532 K N 1.834 121.959 120.400 -0.457 0.000 2.525 532 K HA 0.487 4.807 4.320 -0.000 0.000 0.254 532 K C 0.790 176.640 176.600 -1.250 0.000 0.934 532 K CA -0.723 55.097 56.287 -0.777 0.000 0.802 532 K CB 2.267 34.545 32.500 -0.369 0.000 1.295 532 K HN 0.213 nan 8.250 nan 0.000 0.433 533 A N 2.662 124.372 122.820 -1.850 0.000 1.915 533 A HA -0.277 4.043 4.320 -0.000 0.000 0.220 533 A C 1.551 178.766 177.584 -0.616 0.000 1.198 533 A CA 2.170 53.256 52.037 -1.584 0.000 0.647 533 A CB -0.532 17.791 19.000 -1.129 0.000 0.825 533 A HN 0.918 nan 8.150 nan 0.000 0.456 534 E N -0.007 119.936 120.200 -0.429 0.000 2.130 534 E HA -0.163 4.186 4.350 -0.000 0.000 0.196 534 E C 2.156 178.647 176.600 -0.182 0.000 0.998 534 E CA 1.421 57.681 56.400 -0.234 0.000 0.806 534 E CB -0.296 29.293 29.700 -0.185 0.000 0.738 534 E HN 0.604 nan 8.360 nan 0.000 0.459 535 S N 0.536 116.115 115.700 -0.201 0.000 2.419 535 S HA -0.174 4.296 4.470 -0.000 0.000 0.235 535 S C 1.964 176.456 174.600 -0.179 0.000 1.019 535 S CA 0.969 59.061 58.200 -0.180 0.000 0.982 535 S CB -0.138 62.954 63.200 -0.179 0.000 0.789 535 S HN 0.428 nan 8.310 nan 0.000 0.490 536 A N 0.886 123.663 122.820 -0.071 0.000 2.123 536 A HA 0.142 4.462 4.320 -0.000 0.000 0.214 536 A C 1.283 178.867 177.584 -0.000 0.000 1.152 536 A CA 0.012 52.052 52.037 0.005 0.000 0.728 536 A CB -0.160 18.976 19.000 0.226 0.000 0.814 536 A HN 0.286 nan 8.150 nan 0.000 0.464 537 R N 1.216 121.695 120.500 -0.036 0.000 2.488 537 R HA 0.203 4.543 4.340 -0.000 0.000 0.306 537 R C -0.589 175.707 176.300 -0.007 0.000 1.271 537 R CA 0.561 56.651 56.100 -0.017 0.000 1.022 537 R CB -0.445 29.833 30.300 -0.037 0.000 1.054 537 R HN 0.318 nan 8.270 nan 0.000 0.500 538 T N 2.845 117.416 114.554 0.029 0.000 2.843 538 T HA 0.444 4.794 4.350 -0.000 0.000 0.302 538 T C -0.705 174.031 174.700 0.061 0.000 1.232 538 T CA -0.669 61.465 62.100 0.056 0.000 1.009 538 T CB 1.051 69.988 68.868 0.115 0.000 1.254 538 T HN 0.338 nan 8.240 nan 0.000 0.504 539 I N 3.354 123.950 120.570 0.043 0.000 2.312 539 I HA 0.402 4.572 4.170 -0.000 0.000 0.290 539 I C 0.242 176.323 176.117 -0.059 0.000 1.008 539 I CA -0.770 60.528 61.300 -0.002 0.000 1.226 539 I CB 1.334 39.322 38.000 -0.019 0.000 1.371 539 I HN 0.448 nan 8.210 nan 0.000 0.468 540 K N 6.434 126.758 120.400 -0.127 0.000 2.172 540 K HA 0.499 4.819 4.320 -0.000 0.000 0.276 540 K C -1.345 175.075 176.600 -0.300 0.000 1.013 540 K CA -0.569 55.478 56.287 -0.400 0.000 0.913 540 K CB 0.984 33.251 32.500 -0.390 0.000 1.055 540 K HN 0.342 nan 8.250 nan 0.000 0.461 541 L N 4.734 125.740 121.223 -0.363 0.000 2.346 541 L HA 0.399 4.739 4.340 -0.000 0.000 0.276 541 L C 1.087 177.814 176.870 -0.238 0.000 1.006 541 L CA -0.337 54.361 54.840 -0.237 0.000 0.817 541 L CB 1.679 43.625 42.059 -0.189 0.000 1.272 541 L HN 0.765 nan 8.230 nan 0.000 0.421 542 R N 0.851 121.254 120.500 -0.163 0.000 2.240 542 R HA 0.189 4.529 4.340 -0.000 0.000 0.203 542 R C 0.419 176.651 176.300 -0.114 0.000 1.011 542 R CA 0.517 56.541 56.100 -0.126 0.000 1.007 542 R CB 0.204 30.452 30.300 -0.086 0.000 0.911 542 R HN 0.465 nan 8.270 nan 0.000 0.468 543 S N -0.202 115.422 115.700 -0.126 0.000 2.564 543 S HA 0.388 4.858 4.470 -0.000 0.000 0.274 543 S C -2.349 172.176 174.600 -0.126 0.000 1.124 543 S CA -1.747 56.370 58.200 -0.138 0.000 0.869 543 S CB 2.295 65.412 63.200 -0.137 0.000 1.105 543 S HN -0.033 nan 8.310 nan 0.000 0.472 544 P HA 0.108 nan 4.420 nan 0.000 0.233 544 P C 0.377 177.670 177.300 -0.012 0.000 1.167 544 P CA 0.249 63.309 63.100 -0.066 0.000 0.770 544 P CB -0.024 31.648 31.700 -0.047 0.000 0.837 545 L N 1.895 123.082 121.223 -0.060 0.000 2.261 545 L HA 0.256 4.596 4.340 -0.000 0.000 0.289 545 L C -0.222 176.661 176.870 0.022 0.000 1.059 545 L CA -0.917 53.927 54.840 0.006 0.000 0.816 545 L CB 0.950 42.941 42.059 -0.113 0.000 1.191 545 L HN -0.264 nan 8.230 nan 0.000 0.431 546 V N 2.358 122.312 119.914 0.067 0.000 2.350 546 V HA 0.462 4.582 4.120 -0.000 0.000 0.276 546 V C 0.019 176.152 176.094 0.064 0.000 1.028 546 V CA -0.881 61.436 62.300 0.027 0.000 0.860 546 V CB 0.881 32.711 31.823 0.011 0.000 0.990 546 V HN 0.890 nan 8.190 nan 0.000 0.453 547 N N 3.783 122.482 118.700 -0.001 0.000 2.285 547 N HA 0.151 4.891 4.740 -0.000 0.000 0.262 547 N C 0.771 176.289 175.510 0.013 0.000 1.299 547 N CA -0.158 52.913 53.050 0.036 0.000 0.930 547 N CB 0.249 38.660 38.487 -0.128 0.000 1.157 547 N HN 0.597 nan 8.380 nan 0.000 0.532 548 E N -0.731 119.491 120.200 0.037 0.000 2.106 548 E HA -0.075 4.275 4.350 -0.000 0.000 0.192 548 E C 1.782 178.368 176.600 -0.023 0.000 0.984 548 E CA 0.754 57.163 56.400 0.014 0.000 0.806 548 E CB -0.422 29.289 29.700 0.019 0.000 0.750 548 E HN 0.437 nan 8.360 nan 0.000 0.458 549 V N 1.582 121.464 119.914 -0.054 0.000 2.323 549 V HA -0.219 3.901 4.120 -0.000 0.000 0.244 549 V C 2.111 178.162 176.094 -0.072 0.000 1.041 549 V CA 1.771 64.030 62.300 -0.068 0.000 1.025 549 V CB -0.457 31.309 31.823 -0.095 0.000 0.656 549 V HN 0.225 nan 8.190 nan 0.000 0.451 550 E N -0.042 120.102 120.200 -0.093 0.000 2.153 550 E HA -0.242 4.108 4.350 -0.000 0.000 0.194 550 E C 2.086 178.658 176.600 -0.047 0.000 0.988 550 E CA 1.213 57.565 56.400 -0.079 0.000 0.811 550 E CB -0.217 29.424 29.700 -0.098 0.000 0.746 550 E HN 0.416 nan 8.360 nan 0.000 0.466 551 L N 1.097 122.302 121.223 -0.031 0.000 2.056 551 L HA -0.213 4.127 4.340 -0.000 0.000 0.207 551 L C 2.379 179.239 176.870 -0.017 0.000 1.078 551 L CA 1.751 56.583 54.840 -0.013 0.000 0.749 551 L CB -0.290 41.771 42.059 0.003 0.000 0.901 551 L HN -0.001 nan 8.230 nan 0.000 0.433 552 Q N -0.227 119.559 119.800 -0.023 0.000 2.079 552 Q HA -0.118 4.222 4.340 -0.000 0.000 0.200 552 Q C 2.178 178.165 176.000 -0.022 0.000 0.974 552 Q CA 2.079 57.868 55.803 -0.022 0.000 0.840 552 Q CB -0.487 28.236 28.738 -0.024 0.000 0.898 552 Q HN 0.579 nan 8.270 nan 0.000 0.430 553 A N 0.273 123.076 122.820 -0.029 0.000 1.883 553 A HA -0.187 4.133 4.320 -0.000 0.000 0.217 553 A C 2.176 179.745 177.584 -0.024 0.000 1.186 553 A CA 1.658 53.678 52.037 -0.029 0.000 0.624 553 A CB -0.870 18.107 19.000 -0.039 0.000 0.822 553 A HN 0.484 nan 8.150 nan 0.000 0.444 554 I N -0.651 119.904 120.570 -0.025 0.000 2.163 554 I HA -0.310 3.860 4.170 -0.000 0.000 0.243 554 I C 2.522 178.633 176.117 -0.011 0.000 1.085 554 I CA 1.889 63.178 61.300 -0.018 0.000 1.347 554 I CB -0.239 37.751 38.000 -0.017 0.000 1.044 554 I HN 0.288 nan 8.210 nan 0.000 0.408 555 K N -0.162 120.233 120.400 -0.009 0.000 2.057 555 K HA -0.134 4.186 4.320 -0.000 0.000 0.207 555 K C 1.924 178.520 176.600 -0.007 0.000 1.049 555 K CA 1.649 57.932 56.287 -0.006 0.000 0.931 555 K CB -0.285 32.211 32.500 -0.007 0.000 0.714 555 K HN 0.190 nan 8.250 nan 0.000 0.440 556 T N 0.855 115.403 114.554 -0.010 0.000 3.163 556 T HA 0.007 4.357 4.350 -0.000 0.000 0.260 556 T C 0.787 175.482 174.700 -0.008 0.000 1.156 556 T CA 0.504 62.598 62.100 -0.010 0.000 1.072 556 T CB -0.206 68.654 68.868 -0.013 0.000 0.937 556 T HN 0.381 nan 8.240 nan 0.000 0.528 557 G N 0.828 109.623 108.800 -0.008 0.000 2.621 557 G HA2 0.212 4.172 3.960 -0.000 0.000 0.271 557 G HA3 0.212 4.172 3.960 -0.000 0.000 0.271 557 G C 0.662 175.559 174.900 -0.005 0.000 1.236 557 G CA -0.456 44.639 45.100 -0.008 0.000 0.958 557 G HN 0.478 nan 8.290 nan 0.000 0.512 558 Q N -1.245 118.553 119.800 -0.004 0.000 2.482 558 Q HA 0.164 4.504 4.340 -0.000 0.000 0.209 558 Q C 0.175 176.174 176.000 -0.002 0.000 0.961 558 Q CA 0.311 56.112 55.803 -0.002 0.000 0.945 558 Q CB -0.179 28.559 28.738 -0.001 0.000 1.012 558 Q HN 0.302 nan 8.270 nan 0.000 0.515 559 L N 0.963 122.185 121.223 -0.002 0.000 2.322 559 L HA 0.400 4.740 4.340 -0.000 0.000 0.269 559 L C -0.182 176.689 176.870 0.001 0.000 1.012 559 L CA -1.156 53.684 54.840 -0.000 0.000 0.815 559 L CB 1.879 43.939 42.059 0.002 0.000 1.295 559 L HN 0.097 nan 8.230 nan 0.000 0.438 560 Q N 0.950 120.752 119.800 0.003 0.000 2.304 560 Q HA 0.412 4.752 4.340 -0.000 0.000 0.260 560 Q C -1.405 174.600 176.000 0.009 0.000 0.965 560 Q CA -0.171 55.635 55.803 0.005 0.000 0.898 560 Q CB 1.171 29.912 28.738 0.005 0.000 1.196 560 Q HN 0.375 nan 8.270 nan 0.000 0.402 561 V N 2.310 122.229 119.914 0.009 0.000 2.638 561 V HA 0.816 4.936 4.120 -0.000 0.000 0.306 561 V C -0.929 175.174 176.094 0.014 0.000 1.052 561 V CA -0.841 61.467 62.300 0.012 0.000 0.885 561 V CB 1.667 33.496 31.823 0.009 0.000 0.999 561 V HN 0.828 nan 8.190 nan 0.000 0.424 562 A N 2.974 125.806 122.820 0.019 0.000 2.371 562 A HA 0.767 5.087 4.320 -0.000 0.000 0.311 562 A C -0.531 177.069 177.584 0.026 0.000 1.068 562 A CA -0.617 51.432 52.037 0.021 0.000 0.744 562 A CB 1.286 20.299 19.000 0.022 0.000 1.239 562 A HN 0.772 nan 8.150 nan 0.000 0.435 563 E N 1.265 121.480 120.200 0.025 0.000 2.194 563 E HA 0.433 4.783 4.350 -0.000 0.000 0.284 563 E C -1.151 175.471 176.600 0.037 0.000 1.035 563 E CA -0.157 56.260 56.400 0.029 0.000 0.836 563 E CB 1.485 31.199 29.700 0.023 0.000 1.070 563 E HN 0.373 nan 8.360 nan 0.000 0.401 564 V N 3.103 123.044 119.914 0.046 0.000 2.444 564 V HA 0.108 4.228 4.120 -0.000 0.000 0.294 564 V C 0.193 176.329 176.094 0.070 0.000 1.022 564 V CA -0.649 61.683 62.300 0.053 0.000 0.850 564 V CB 1.730 33.584 31.823 0.050 0.000 0.992 564 V HN 0.572 nan 8.190 nan 0.000 0.426 565 S N 3.088 118.834 115.700 0.076 0.000 2.528 565 S HA 0.186 4.656 4.470 -0.000 0.000 0.277 565 S C 1.204 175.883 174.600 0.131 0.000 1.297 565 S CA 0.279 58.540 58.200 0.102 0.000 1.052 565 S CB 0.977 64.236 63.200 0.099 0.000 0.917 565 S HN 1.031 nan 8.310 nan 0.000 0.492 566 T N 3.471 118.127 114.554 0.169 0.000 3.069 566 T HA 0.325 4.674 4.350 -0.000 0.000 0.252 566 T C 0.579 175.459 174.700 0.301 0.000 1.053 566 T CA -0.274 61.959 62.100 0.222 0.000 0.964 566 T CB -0.322 68.687 68.868 0.235 0.000 1.005 566 T HN 0.496 nan 8.240 nan 0.000 0.532 567 L N 2.418 123.793 121.223 0.253 0.000 2.418 567 L HA 0.552 4.892 4.340 -0.000 0.000 0.265 567 L C -0.304 176.716 176.870 0.250 0.000 1.143 567 L CA -1.282 53.695 54.840 0.229 0.000 0.809 567 L CB 0.535 42.696 42.059 0.171 0.000 1.124 567 L HN 0.464 nan 8.230 nan 0.000 0.456 568 Y N -1.208 119.142 120.300 0.083 0.000 2.552 568 Y HA 0.469 5.019 4.550 0.000 0.000 0.337 568 Y C -0.835 175.071 175.900 0.010 0.000 1.094 568 Y CA -1.497 56.623 58.100 0.034 0.000 1.028 568 Y CB 0.772 39.239 38.460 0.012 0.000 1.321 568 Y HN 0.419 nan 8.280 nan 0.000 0.456 575 S N 0.100 115.700 115.700 -0.168 0.000 2.535 575 S HA 0.380 4.850 4.470 -0.000 0.000 0.272 575 S C 0.499 174.850 174.600 -0.415 0.000 1.149 575 S CA -0.753 57.340 58.200 -0.177 0.000 0.888 575 S CB 1.412 64.537 63.200 -0.124 0.000 1.110 575 S HN 0.474 nan 8.310 nan 0.000 0.463 576 L N 2.211 123.210 121.223 -0.374 0.000 2.054 576 L HA -0.178 4.162 4.340 -0.000 0.000 0.220 576 L C 2.488 179.139 176.870 -0.364 0.000 1.081 576 L CA 2.875 57.459 54.840 -0.428 0.000 0.780 576 L CB -0.714 41.257 42.059 -0.147 0.000 0.893 576 L HN 1.049 nan 8.230 nan 0.000 0.438 577 E N -0.888 119.145 120.200 -0.278 0.000 2.049 577 E HA -0.303 4.047 4.350 -0.000 0.000 0.198 577 E C 1.840 178.287 176.600 -0.254 0.000 1.007 577 E CA 1.682 57.919 56.400 -0.271 0.000 0.809 577 E CB -0.362 29.199 29.700 -0.232 0.000 0.749 577 E HN 0.823 nan 8.360 nan 0.000 0.450 578 D N -0.124 120.131 120.400 -0.241 0.000 2.289 578 D HA -0.063 4.577 4.640 -0.000 0.000 0.207 578 D C 1.806 177.972 176.300 -0.223 0.000 0.966 578 D CA 0.990 54.873 54.000 -0.195 0.000 0.868 578 D CB -0.061 40.648 40.800 -0.151 0.000 0.943 578 D HN 0.227 nan 8.370 nan 0.000 0.514 579 A N 0.903 123.500 122.820 -0.372 0.000 1.908 579 A HA -0.116 4.204 4.320 -0.000 0.000 0.218 579 A C 2.228 179.688 177.584 -0.207 0.000 1.181 579 A CA 1.198 52.991 52.037 -0.407 0.000 0.627 579 A CB -0.772 17.626 19.000 -1.003 0.000 0.818 579 A HN 0.321 nan 8.150 nan 0.000 0.445 580 L N -0.362 120.742 121.223 -0.198 0.000 2.156 580 L HA -0.035 4.305 4.340 -0.000 0.000 0.208 580 L C 2.398 179.230 176.870 -0.062 0.000 1.095 580 L CA 2.457 57.240 54.840 -0.094 0.000 0.770 580 L CB -0.977 41.024 42.059 -0.097 0.000 0.914 580 L HN 0.384 nan 8.230 nan 0.000 0.439 581 T N -0.619 113.884 114.554 -0.085 0.000 2.857 581 T HA -0.070 4.280 4.350 -0.000 0.000 0.266 581 T C 1.666 176.327 174.700 -0.065 0.000 1.048 581 T CA 1.166 63.230 62.100 -0.061 0.000 1.139 581 T CB -0.208 68.624 68.868 -0.060 0.000 0.874 581 T HN 0.372 nan 8.240 nan 0.000 0.455 582 N N 1.293 119.955 118.700 -0.064 0.000 2.396 582 N HA 0.052 4.792 4.740 -0.000 0.000 0.180 582 N C 1.833 177.327 175.510 -0.027 0.000 1.028 582 N CA 0.455 53.480 53.050 -0.041 0.000 0.893 582 N CB -0.132 38.333 38.487 -0.036 0.000 0.967 582 N HN 0.319 nan 8.380 nan 0.000 0.440 583 L N 0.877 122.082 121.223 -0.029 0.000 2.044 583 L HA -0.084 4.256 4.340 -0.000 0.000 0.205 583 L C 2.084 178.937 176.870 -0.029 0.000 1.075 583 L CA 0.999 55.834 54.840 -0.009 0.000 0.747 583 L CB -0.234 41.828 42.059 0.006 0.000 0.903 583 L HN -0.100 nan 8.230 nan 0.000 0.435 584 V N 0.389 120.256 119.914 -0.078 0.000 2.343 584 V HA -0.285 3.835 4.120 -0.000 0.000 0.247 584 V C 2.475 178.524 176.094 -0.076 0.000 1.051 584 V CA 1.798 64.019 62.300 -0.131 0.000 1.036 584 V CB -0.448 31.161 31.823 -0.356 0.000 0.654 584 V HN 0.455 nan 8.190 nan 0.000 0.451 585 K N -0.747 119.617 120.400 -0.060 0.000 2.155 585 K HA -0.106 4.214 4.320 -0.000 0.000 0.203 585 K C 2.185 178.778 176.600 -0.013 0.000 1.052 585 K CA 1.588 57.858 56.287 -0.030 0.000 0.948 585 K CB -0.341 32.144 32.500 -0.025 0.000 0.728 585 K HN 0.398 nan 8.250 nan 0.000 0.448 586 T N 1.102 115.650 114.554 -0.010 0.000 2.777 586 T HA -0.095 4.255 4.350 -0.000 0.000 0.266 586 T C 1.978 176.683 174.700 0.009 0.000 1.040 586 T CA 1.288 63.391 62.100 0.004 0.000 1.141 586 T CB -0.146 68.730 68.868 0.012 0.000 0.868 586 T HN 0.318 nan 8.240 nan 0.000 0.444 587 A N 1.101 123.925 122.820 0.007 0.000 1.858 587 A HA -0.026 4.294 4.320 -0.000 0.000 0.216 587 A C 2.242 179.835 177.584 0.016 0.000 1.190 587 A CA 1.287 53.334 52.037 0.016 0.000 0.617 587 A CB -0.823 18.187 19.000 0.017 0.000 0.827 587 A HN 0.496 nan 8.150 nan 0.000 0.443 588 I N -0.132 120.444 120.570 0.009 0.000 2.127 588 I HA -0.324 3.846 4.170 -0.000 0.000 0.241 588 I C 2.963 179.087 176.117 0.011 0.000 1.075 588 I CA 1.359 62.666 61.300 0.011 0.000 1.334 588 I CB -0.287 37.718 38.000 0.009 0.000 1.040 588 I HN 0.354 nan 8.210 nan 0.000 0.405 589 A N -0.313 122.512 122.820 0.008 0.000 1.972 589 A HA -0.186 4.134 4.320 -0.000 0.000 0.219 589 A C 2.357 179.947 177.584 0.010 0.000 1.169 589 A CA 2.303 54.345 52.037 0.008 0.000 0.635 589 A CB -0.988 18.015 19.000 0.006 0.000 0.810 589 A HN 0.410 nan 8.150 nan 0.000 0.446 590 T N -0.513 114.049 114.554 0.013 0.000 2.737 590 T HA -0.091 4.259 4.350 -0.000 0.000 0.265 590 T C 1.894 176.604 174.700 0.016 0.000 1.038 590 T CA 1.545 63.654 62.100 0.016 0.000 1.144 590 T CB -0.337 68.543 68.868 0.020 0.000 0.866 590 T HN 0.156 nan 8.240 nan 0.000 0.434 591 V N 1.628 121.554 119.914 0.019 0.000 2.343 591 V HA -0.172 3.948 4.120 -0.000 0.000 0.247 591 V C 2.560 178.663 176.094 0.014 0.000 1.051 591 V CA 1.579 63.891 62.300 0.020 0.000 1.036 591 V CB -0.629 31.209 31.823 0.025 0.000 0.654 591 V HN 0.508 nan 8.190 nan 0.000 0.451 592 Q N -0.531 119.276 119.800 0.012 0.000 2.364 592 Q HA -0.097 4.243 4.340 -0.000 0.000 0.209 592 Q C 2.061 178.065 176.000 0.007 0.000 0.977 592 Q CA 1.341 57.150 55.803 0.009 0.000 0.885 592 Q CB -0.190 28.553 28.738 0.008 0.000 0.941 592 Q HN 0.692 nan 8.270 nan 0.000 0.464 593 A N -0.860 121.965 122.820 0.008 0.000 2.238 593 A HA 0.350 4.670 4.320 -0.000 0.000 0.210 593 A C 1.391 178.979 177.584 0.006 0.000 1.179 593 A CA 0.844 52.885 52.037 0.007 0.000 0.827 593 A CB 0.427 19.432 19.000 0.007 0.000 0.856 593 A HN 0.409 nan 8.150 nan 0.000 0.488 594 G N -2.128 106.676 108.800 0.007 0.000 2.318 594 G HA2 0.222 4.182 3.960 -0.000 0.000 0.172 594 G HA3 0.222 4.182 3.960 -0.000 0.000 0.172 594 G C 0.398 175.303 174.900 0.008 0.000 1.002 594 G CA -0.062 45.041 45.100 0.006 0.000 0.697 594 G HN 1.356 nan 8.290 nan 0.000 0.483 595 A N 0.574 123.402 122.820 0.012 0.000 2.520 595 A HA 0.596 4.916 4.320 -0.000 0.000 0.245 595 A C 1.026 178.622 177.584 0.019 0.000 1.072 595 A CA 1.093 53.140 52.037 0.016 0.000 0.761 595 A CB 0.186 19.197 19.000 0.020 0.000 1.004 595 A HN 0.439 nan 8.150 nan 0.000 0.499 596 E N 1.675 121.886 120.200 0.018 0.000 2.413 596 E HA 0.204 4.553 4.350 -0.000 0.000 0.203 596 E C -0.452 176.165 176.600 0.028 0.000 0.957 596 E CA 0.433 56.845 56.400 0.020 0.000 0.950 596 E CB 0.409 30.116 29.700 0.011 0.000 0.957 596 E HN 0.732 nan 8.360 nan 0.000 0.497 597 I N 1.887 122.474 120.570 0.027 0.000 2.499 597 I HA 0.206 4.376 4.170 -0.000 0.000 0.288 597 I C -1.187 174.952 176.117 0.036 0.000 1.048 597 I CA -1.018 60.302 61.300 0.033 0.000 1.062 597 I CB 1.999 40.014 38.000 0.024 0.000 1.238 597 I HN -0.115 nan 8.210 nan 0.000 0.426 598 L N 7.259 128.510 121.223 0.047 0.000 2.272 598 L HA 0.430 4.770 4.340 -0.000 0.000 0.289 598 L C -0.268 176.633 176.870 0.051 0.000 1.032 598 L CA -0.473 54.397 54.840 0.048 0.000 0.810 598 L CB 1.667 43.760 42.059 0.057 0.000 1.205 598 L HN 0.239 nan 8.230 nan 0.000 0.422 599 V N 5.863 125.804 119.914 0.046 0.000 2.304 599 V HA 0.284 4.404 4.120 -0.000 0.000 0.269 599 V C 0.230 176.359 176.094 0.058 0.000 1.036 599 V CA -0.579 61.751 62.300 0.050 0.000 0.840 599 V CB 0.837 32.683 31.823 0.039 0.000 1.036 599 V HN 0.455 nan 8.190 nan 0.000 0.466 600 L N 5.618 126.883 121.223 0.070 0.000 2.401 600 L HA 0.307 4.647 4.340 -0.000 0.000 0.283 600 L C 0.691 177.618 176.870 0.095 0.000 1.151 600 L CA 0.002 54.891 54.840 0.082 0.000 0.942 600 L CB -0.340 41.770 42.059 0.085 0.000 1.283 600 L HN 0.615 nan 8.230 nan 0.000 0.442 601 T N -2.018 112.591 114.554 0.093 0.000 2.856 601 T HA 0.189 4.539 4.350 -0.000 0.000 0.292 601 T C 0.561 175.347 174.700 0.142 0.000 0.980 601 T CA -0.764 61.400 62.100 0.106 0.000 1.091 601 T CB 1.471 70.376 68.868 0.063 0.000 0.936 601 T HN 0.563 nan 8.240 nan 0.000 0.503 602 D N 0.705 121.213 120.400 0.179 0.000 2.336 602 D HA -0.021 4.619 4.640 -0.000 0.000 0.228 602 D C 0.845 177.276 176.300 0.219 0.000 1.120 602 D CA -0.451 53.685 54.000 0.226 0.000 0.839 602 D CB 0.186 41.143 40.800 0.263 0.000 0.932 602 D HN 0.557 nan 8.370 nan 0.000 0.509 603 R N 0.581 121.148 120.500 0.112 0.000 2.738 603 R HA 0.297 4.637 4.340 -0.000 0.000 0.280 603 R C -3.062 173.238 176.300 -0.001 0.000 1.456 603 R CA -1.360 54.756 56.100 0.026 0.000 1.612 603 R CB 0.351 30.543 30.300 -0.181 0.000 1.286 603 R HN -0.061 nan 8.270 nan 0.000 0.660 604 P HA 0.145 nan 4.420 nan 0.000 0.275 604 P C -0.679 176.635 177.300 0.023 0.000 1.227 604 P CA -0.063 63.057 63.100 0.034 0.000 0.781 604 P CB 0.517 32.251 31.700 0.056 0.000 0.906 605 N N 2.033 120.740 118.700 0.012 0.000 2.708 605 N HA -0.208 4.532 4.740 -0.000 0.000 0.249 605 N C 1.097 176.610 175.510 0.005 0.000 1.097 605 N CA 1.786 54.842 53.050 0.009 0.000 0.710 605 N CB -1.967 36.531 38.487 0.017 0.000 1.032 605 N HN 0.896 nan 8.380 nan 0.000 0.551 606 G N -2.355 106.438 108.800 -0.012 0.000 2.189 606 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.267 606 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.267 606 G C 0.297 175.209 174.900 0.020 0.000 0.975 606 G CA 1.079 46.170 45.100 -0.015 0.000 0.644 606 G HN 1.229 nan 8.290 nan 0.000 0.537 607 A N -0.425 122.415 122.820 0.033 0.000 2.327 607 A HA 0.796 5.116 4.320 -0.000 0.000 0.283 607 A C 0.510 178.147 177.584 0.088 0.000 1.127 607 A CA -0.363 51.708 52.037 0.056 0.000 0.810 607 A CB 0.693 19.721 19.000 0.047 0.000 1.066 607 A HN 0.665 nan 8.150 nan 0.000 0.492 608 I N 0.664 121.291 120.570 0.095 0.000 2.945 608 I HA 0.127 4.297 4.170 -0.000 0.000 0.292 608 I C 0.267 176.471 176.117 0.146 0.000 1.093 608 I CA -0.349 61.026 61.300 0.125 0.000 1.336 608 I CB 0.940 38.954 38.000 0.024 0.000 1.435 608 I HN 0.658 nan 8.210 nan 0.000 0.593 609 L N 3.855 125.215 121.223 0.227 0.000 2.455 609 L HA 0.184 4.524 4.340 -0.000 0.000 0.272 609 L C 0.322 177.271 176.870 0.132 0.000 1.174 609 L CA 0.611 55.576 54.840 0.209 0.000 0.869 609 L CB 0.486 42.715 42.059 0.282 0.000 1.130 609 L HN 0.765 nan 8.230 nan 0.000 0.474 610 T N 0.024 114.571 114.554 -0.013 0.000 2.919 610 T HA 0.342 4.692 4.350 -0.000 0.000 0.282 610 T C 0.809 175.152 174.700 -0.594 0.000 1.020 610 T CA -0.087 61.891 62.100 -0.204 0.000 0.994 610 T CB 0.978 69.765 68.868 -0.136 0.000 1.180 610 T HN 0.706 nan 8.240 nan 0.000 0.566 611 E N 0.354 120.010 120.200 -0.907 0.000 2.338 611 E HA -0.121 4.229 4.350 -0.000 0.000 0.197 611 E C 0.972 177.412 176.600 -0.266 0.000 1.007 611 E CA 0.651 56.482 56.400 -0.948 0.000 0.849 611 E CB -0.317 28.944 29.700 -0.732 0.000 0.774 611 E HN 0.464 nan 8.360 nan 0.000 0.506 612 N N 0.834 119.408 118.700 -0.210 0.000 2.322 612 N HA 0.060 4.800 4.740 -0.000 0.000 0.194 612 N C -0.338 175.091 175.510 -0.135 0.000 1.126 612 N CA 0.356 53.329 53.050 -0.128 0.000 0.845 612 N CB 0.497 38.929 38.487 -0.091 0.000 0.976 612 N HN 0.363 nan 8.380 nan 0.000 0.475 613 Q N -0.740 118.964 119.800 -0.160 0.000 2.451 613 Q HA 0.499 4.839 4.340 -0.000 0.000 0.281 613 Q C -0.833 175.004 176.000 -0.272 0.000 1.099 613 Q CA -0.541 55.144 55.803 -0.196 0.000 0.806 613 Q CB 2.606 31.287 28.738 -0.094 0.000 1.419 613 Q HN -0.114 nan 8.270 nan 0.000 0.427 614 S N 0.142 115.521 115.700 -0.535 0.000 2.841 614 S HA 0.883 5.353 4.470 -0.000 0.000 0.318 614 S C -1.757 172.602 174.600 -0.401 0.000 1.127 614 S CA -0.586 57.288 58.200 -0.544 0.000 0.883 614 S CB 0.920 63.657 63.200 -0.772 0.000 1.271 614 S HN 0.476 nan 8.310 nan 0.000 0.567 615 F N -0.295 119.521 119.950 -0.223 0.000 2.626 615 F HA 0.715 5.242 4.527 -0.000 0.000 0.311 615 F C -1.159 174.776 175.800 0.226 0.000 1.088 615 F CA -1.278 56.757 58.000 0.060 0.000 0.949 615 F CB 0.546 39.648 39.000 0.170 0.000 1.322 615 F HN 0.320 nan 8.300 nan 0.000 0.461 616 I N 3.171 124.003 120.570 0.436 0.000 2.379 616 I HA 0.282 4.452 4.170 -0.000 0.000 0.290 616 I C -2.259 174.097 176.117 0.398 0.000 1.063 616 I CA -1.782 59.692 61.300 0.289 0.000 1.351 616 I CB 0.508 38.635 38.000 0.213 0.000 1.410 616 I HN 0.326 nan 8.210 nan 0.000 0.505 617 P HA -0.016 nan 4.420 nan 0.000 0.262 617 P C -1.865 175.511 177.300 0.127 0.000 1.182 617 P CA -0.841 62.445 63.100 0.310 0.000 0.761 617 P CB 0.015 31.782 31.700 0.111 0.000 0.795 618 P HA -0.189 nan 4.420 nan 0.000 0.216 618 P C 1.346 178.629 177.300 -0.028 0.000 1.150 618 P CA 1.038 64.159 63.100 0.035 0.000 0.843 618 P CB -0.079 31.630 31.700 0.014 0.000 0.787 619 L N -1.114 120.005 121.223 -0.174 0.000 2.109 619 L HA -0.057 4.283 4.340 -0.000 0.000 0.207 619 L C 2.261 179.130 176.870 -0.002 0.000 1.086 619 L CA 1.491 56.226 54.840 -0.176 0.000 0.760 619 L CB -1.566 40.193 42.059 -0.500 0.000 0.910 619 L HN -0.161 nan 8.230 nan 0.000 0.437 620 L N -0.098 121.136 121.223 0.018 0.000 2.027 620 L HA -0.008 4.331 4.340 -0.000 0.000 0.206 620 L C 2.535 179.398 176.870 -0.012 0.000 1.074 620 L CA 2.029 56.885 54.840 0.027 0.000 0.745 620 L CB -1.175 40.906 42.059 0.037 0.000 0.898 620 L HN 0.270 nan 8.230 nan 0.000 0.433 621 A N -1.257 121.583 122.820 0.034 0.000 1.883 621 A HA -0.204 4.116 4.320 -0.000 0.000 0.217 621 A C 2.432 180.042 177.584 0.043 0.000 1.186 621 A CA 2.169 54.237 52.037 0.051 0.000 0.624 621 A CB -1.280 17.773 19.000 0.089 0.000 0.822 621 A HN 0.331 nan 8.150 nan 0.000 0.444 622 V N -0.177 119.764 119.914 0.045 0.000 2.379 622 V HA -0.041 4.079 4.120 -0.000 0.000 0.245 622 V C 2.521 178.656 176.094 0.069 0.000 1.044 622 V CA 2.185 64.522 62.300 0.061 0.000 1.036 622 V CB -0.956 30.905 31.823 0.063 0.000 0.664 622 V HN 0.579 nan 8.190 nan 0.000 0.453 623 G N -0.241 108.588 108.800 0.048 0.000 2.553 623 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.218 623 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.218 623 G C 1.781 176.702 174.900 0.035 0.000 1.195 623 G CA 1.289 46.410 45.100 0.035 0.000 0.779 623 G HN 0.730 nan 8.290 nan 0.000 0.577 624 A N -0.011 122.792 122.820 -0.028 0.000 1.902 624 A HA 0.071 4.391 4.320 -0.000 0.000 0.217 624 A C 2.705 180.342 177.584 0.088 0.000 1.181 624 A CA 2.409 54.461 52.037 0.025 0.000 0.623 624 A CB -0.827 18.195 19.000 0.037 0.000 0.818 624 A HN 1.018 nan 8.150 nan 0.000 0.443 625 V N -0.754 119.193 119.914 0.056 0.000 2.453 625 V HA -0.228 3.892 4.120 -0.000 0.000 0.247 625 V C 2.288 178.425 176.094 0.071 0.000 1.048 625 V CA 2.883 65.219 62.300 0.060 0.000 1.049 625 V CB -0.977 30.876 31.823 0.050 0.000 0.672 625 V HN 0.758 nan 8.190 nan 0.000 0.457 626 H N 0.067 119.106 119.070 -0.052 0.000 2.290 626 H HA -0.181 4.375 4.556 -0.000 0.000 0.298 626 H C 2.272 177.442 175.328 -0.262 0.000 1.087 626 H CA 2.644 58.593 56.048 -0.165 0.000 1.291 626 H CB -0.387 29.233 29.762 -0.236 0.000 1.369 626 H HN 0.625 nan 8.280 nan 0.000 0.492 627 H N -1.066 117.884 119.070 -0.201 0.000 2.502 627 H HA -0.027 4.529 4.556 -0.000 0.000 0.283 627 H C 1.845 176.944 175.328 -0.382 0.000 1.015 627 H CA 1.216 57.050 56.048 -0.357 0.000 1.298 627 H CB 0.080 29.655 29.762 -0.312 0.000 1.411 627 H HN 0.644 nan 8.280 nan 0.000 0.556 628 H N -0.371 118.609 119.070 -0.150 0.000 2.482 628 H HA -0.047 4.509 4.556 -0.000 0.000 0.286 628 H C 2.015 177.273 175.328 -0.117 0.000 1.017 628 H CA 0.139 56.094 56.048 -0.155 0.000 1.322 628 H CB 0.427 30.084 29.762 -0.176 0.000 1.426 628 H HN 0.147 nan 8.280 nan 0.000 0.546 629 L N 0.969 122.181 121.223 -0.018 0.000 2.017 629 L HA -0.150 4.190 4.340 -0.000 0.000 0.208 629 L C 2.477 179.299 176.870 -0.081 0.000 1.073 629 L CA 1.237 56.056 54.840 -0.036 0.000 0.745 629 L CB -0.828 41.218 42.059 -0.022 0.000 0.894 629 L HN 0.197 nan 8.230 nan 0.000 0.432 630 I N -0.942 119.525 120.570 -0.171 0.000 2.163 630 I HA -0.338 3.832 4.170 -0.000 0.000 0.243 630 I C 2.546 178.589 176.117 -0.125 0.000 1.085 630 I CA 1.220 62.413 61.300 -0.178 0.000 1.347 630 I CB -0.319 37.511 38.000 -0.284 0.000 1.044 630 I HN 0.254 nan 8.210 nan 0.000 0.408 631 R N 0.769 121.184 120.500 -0.142 0.000 2.120 631 R HA -0.073 4.267 4.340 -0.000 0.000 0.234 631 R C 2.135 178.393 176.300 -0.070 0.000 1.123 631 R CA 1.380 57.406 56.100 -0.123 0.000 0.975 631 R CB -0.409 29.778 30.300 -0.190 0.000 0.866 631 R HN 0.357 nan 8.270 nan 0.000 0.446 632 A N 0.302 123.093 122.820 -0.048 0.000 2.208 632 A HA 0.222 4.542 4.320 -0.000 0.000 0.209 632 A C 1.437 179.009 177.584 -0.019 0.000 1.161 632 A CA 0.704 52.729 52.037 -0.020 0.000 0.782 632 A CB -0.017 18.982 19.000 -0.001 0.000 0.816 632 A HN 0.437 nan 8.150 nan 0.000 0.477 633 G N -1.126 107.657 108.800 -0.029 0.000 2.147 633 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.244 633 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.244 633 G C 0.445 175.342 174.900 -0.005 0.000 1.005 633 G CA 0.532 45.621 45.100 -0.018 0.000 0.713 633 G HN 0.593 nan 8.290 nan 0.000 0.515 634 L N -1.157 120.064 121.223 -0.004 0.000 2.808 634 L HA 0.350 4.690 4.340 -0.000 0.000 0.246 634 L C 2.302 179.189 176.870 0.028 0.000 1.153 634 L CA -0.093 54.754 54.840 0.012 0.000 0.956 634 L CB 0.238 42.304 42.059 0.012 0.000 1.270 634 L HN 0.126 nan 8.230 nan 0.000 0.528 635 R N 1.019 121.535 120.500 0.025 0.000 2.152 635 R HA -0.087 4.253 4.340 -0.000 0.000 0.232 635 R C 1.647 178.032 176.300 0.141 0.000 1.117 635 R CA 1.478 57.618 56.100 0.067 0.000 0.981 635 R CB -0.248 30.056 30.300 0.006 0.000 0.870 635 R HN 0.162 nan 8.270 nan 0.000 0.451 636 L N 0.687 121.978 121.223 0.113 0.000 2.610 636 L HA 0.036 4.376 4.340 -0.000 0.000 0.232 636 L C 1.275 178.177 176.870 0.053 0.000 1.149 636 L CA 1.363 56.260 54.840 0.095 0.000 0.872 636 L CB -0.302 41.797 42.059 0.067 0.000 0.992 636 L HN 0.066 nan 8.230 nan 0.000 0.447 637 K N -0.682 119.748 120.400 0.051 0.000 2.379 637 K HA 0.429 4.749 4.320 -0.000 0.000 0.194 637 K C 0.536 177.158 176.600 0.036 0.000 1.031 637 K CA 0.395 56.701 56.287 0.031 0.000 1.037 637 K CB 0.852 33.367 32.500 0.025 0.000 0.824 637 K HN 0.175 nan 8.250 nan 0.000 0.516 638 A N 0.568 123.424 122.820 0.060 0.000 2.604 638 A HA 0.565 4.885 4.320 -0.000 0.000 0.295 638 A C -0.937 176.707 177.584 0.101 0.000 1.067 638 A CA -0.600 51.477 52.037 0.066 0.000 0.683 638 A CB 1.363 20.399 19.000 0.060 0.000 1.281 638 A HN -0.001 nan 8.150 nan 0.000 0.407 639 S N 0.085 115.840 115.700 0.090 0.000 2.608 639 S HA 0.737 5.207 4.470 -0.000 0.000 0.291 639 S C -0.528 174.136 174.600 0.108 0.000 1.146 639 S CA -0.507 57.764 58.200 0.118 0.000 1.043 639 S CB 0.972 64.219 63.200 0.077 0.000 1.037 639 S HN 0.544 nan 8.310 nan 0.000 0.520 640 L N 2.330 123.633 121.223 0.133 0.000 2.307 640 L HA 0.592 4.932 4.340 -0.000 0.000 0.284 640 L C -0.700 176.223 176.870 0.088 0.000 1.023 640 L CA -0.439 54.467 54.840 0.110 0.000 0.810 640 L CB 0.744 42.882 42.059 0.131 0.000 1.231 640 L HN 0.462 nan 8.230 nan 0.000 0.423 641 I N 3.212 123.824 120.570 0.071 0.000 2.404 641 I HA 0.337 4.507 4.170 -0.000 0.000 0.293 641 I C -0.437 175.723 176.117 0.072 0.000 0.992 641 I CA -0.907 60.432 61.300 0.064 0.000 1.149 641 I CB 2.313 40.343 38.000 0.050 0.000 1.315 641 I HN 0.225 nan 8.210 nan 0.000 0.446 642 V N 4.515 124.475 119.914 0.076 0.000 2.348 642 V HA 0.135 4.255 4.120 -0.000 0.000 0.270 642 V C -0.262 175.885 176.094 0.089 0.000 1.037 642 V CA -0.339 62.006 62.300 0.076 0.000 0.872 642 V CB 1.163 33.021 31.823 0.059 0.000 1.002 642 V HN 0.617 nan 8.190 nan 0.000 0.464 643 D N 3.617 124.081 120.400 0.106 0.000 2.441 643 D HA 0.394 5.034 4.640 -0.000 0.000 0.221 643 D C -0.082 176.338 176.300 0.199 0.000 1.156 643 D CA 0.403 54.498 54.000 0.160 0.000 0.896 643 D CB 0.899 41.773 40.800 0.124 0.000 1.028 643 D HN 0.603 nan 8.370 nan 0.000 0.509 644 T N 1.387 116.016 114.554 0.125 0.000 2.909 644 T HA 0.592 4.942 4.350 -0.000 0.000 0.299 644 T C 0.781 175.192 174.700 -0.481 0.000 1.073 644 T CA -0.208 61.849 62.100 -0.071 0.000 0.999 644 T CB 1.470 70.296 68.868 -0.072 0.000 1.098 644 T HN 0.162 nan 8.240 nan 0.000 0.477 645 A N 2.537 124.824 122.820 -0.888 0.000 1.970 645 A HA 0.147 4.467 4.320 -0.000 0.000 0.216 645 A C 1.466 178.818 177.584 -0.386 0.000 1.170 645 A CA 0.755 52.115 52.037 -1.127 0.000 0.645 645 A CB -0.381 17.483 19.000 -1.892 0.000 0.816 645 A HN 0.753 nan 8.150 nan 0.000 0.447 646 Q N 0.052 119.688 119.800 -0.274 0.000 3.247 646 Q HA 0.349 4.689 4.340 -0.000 0.000 0.326 646 Q C -1.256 174.683 176.000 -0.103 0.000 1.402 646 Q CA -0.277 55.552 55.803 0.043 0.000 0.994 646 Q CB -0.315 28.519 28.738 0.159 0.000 1.647 646 Q HN 0.538 nan 8.270 nan 0.000 0.523 647 C N 2.441 121.683 119.300 -0.096 0.000 2.924 647 C HA 0.493 4.953 4.460 -0.000 0.000 0.400 647 C C -0.659 174.334 174.990 0.004 0.000 1.032 647 C CA -0.587 58.238 59.018 -0.321 0.000 1.236 647 C CB -0.190 27.265 27.740 -0.474 0.000 1.660 647 C HN 1.000 nan 8.230 nan 0.000 0.510 648 W N 4.133 125.493 121.300 0.100 0.000 3.330 648 W HA 0.442 5.102 4.660 0.000 0.000 0.194 648 W C 0.441 177.107 176.519 0.245 0.000 1.041 648 W CA 0.697 58.173 57.345 0.217 0.000 1.399 648 W CB -1.006 28.503 29.460 0.081 0.000 0.694 648 W HN 0.731 nan 8.180 nan 0.000 0.832 649 S N 0.409 115.906 115.700 -0.338 0.000 2.654 649 S HA 0.377 4.847 4.470 -0.000 0.000 0.283 649 S C 0.965 175.510 174.600 -0.092 0.000 1.180 649 S CA 0.410 58.447 58.200 -0.272 0.000 1.021 649 S CB 1.623 64.451 63.200 -0.619 0.000 1.018 649 S HN 0.185 nan 8.310 nan 0.000 0.532 650 T N 0.172 114.724 114.554 -0.004 0.000 2.721 650 T HA -0.305 4.045 4.350 -0.000 0.000 0.268 650 T C 1.555 176.284 174.700 0.048 0.000 1.038 650 T CA 2.285 64.406 62.100 0.035 0.000 1.145 650 T CB -0.991 67.869 68.868 -0.012 0.000 0.858 650 T HN 0.820 nan 8.240 nan 0.000 0.459 651 H N -1.108 117.838 119.070 -0.206 0.000 2.389 651 H HA -0.090 4.466 4.556 -0.000 0.000 0.299 651 H C 2.224 177.380 175.328 -0.288 0.000 1.081 651 H CA 1.566 57.465 56.048 -0.249 0.000 1.345 651 H CB -0.040 29.342 29.762 -0.634 0.000 1.393 651 H HN 0.485 nan 8.280 nan 0.000 0.520 652 H N -0.150 118.508 119.070 -0.686 0.000 2.353 652 H HA -0.122 4.434 4.556 -0.000 0.000 0.300 652 H C 2.205 177.106 175.328 -0.712 0.000 1.090 652 H CA 1.302 56.586 56.048 -1.273 0.000 1.327 652 H CB -0.839 28.050 29.762 -1.455 0.000 1.383 652 H HN 0.355 nan 8.280 nan 0.000 0.508 653 F N 0.575 120.398 119.950 -0.211 0.000 2.146 653 F HA -0.095 4.432 4.527 -0.000 0.000 0.298 653 F C 2.723 178.518 175.800 -0.008 0.000 1.096 653 F CA 0.966 58.913 58.000 -0.088 0.000 1.275 653 F CB -0.592 38.359 39.000 -0.083 0.000 1.008 653 F HN 0.163 nan 8.300 nan 0.000 0.480 654 A N -0.735 122.211 122.820 0.210 0.000 1.883 654 A HA -0.226 4.094 4.320 -0.000 0.000 0.217 654 A C 2.303 180.109 177.584 0.369 0.000 1.186 654 A CA 1.949 54.220 52.037 0.391 0.000 0.624 654 A CB -1.525 17.734 19.000 0.432 0.000 0.822 654 A HN 0.492 nan 8.150 nan 0.000 0.444 655 C N -1.262 118.015 119.300 -0.037 0.000 2.429 655 C HA -0.045 4.415 4.460 -0.000 0.000 0.277 655 C C 2.532 177.457 174.990 -0.108 0.000 1.262 655 C CA 0.905 59.674 59.018 -0.415 0.000 1.733 655 C CB -1.419 25.991 27.740 -0.551 0.000 2.010 655 C HN 0.561 nan 8.230 nan 0.000 0.483 656 L N 0.779 121.999 121.223 -0.004 0.000 1.970 656 L HA -0.114 4.226 4.340 -0.000 0.000 0.212 656 L C 2.640 179.566 176.870 0.094 0.000 1.071 656 L CA 1.805 56.677 54.840 0.053 0.000 0.751 656 L CB -1.340 40.739 42.059 0.033 0.000 0.889 656 L HN 0.169 nan 8.230 nan 0.000 0.432 657 V N -0.168 119.841 119.914 0.158 0.000 2.332 657 V HA -0.263 3.857 4.120 -0.000 0.000 0.248 657 V C 2.581 178.744 176.094 0.116 0.000 1.055 657 V CA 1.832 64.264 62.300 0.220 0.000 1.038 657 V CB -1.592 30.410 31.823 0.298 0.000 0.651 657 V HN 0.609 nan 8.190 nan 0.000 0.450 658 G N -1.559 107.233 108.800 -0.013 0.000 2.442 658 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.219 658 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.219 658 G C 1.139 175.720 174.900 -0.531 0.000 1.141 658 G CA 0.778 45.670 45.100 -0.348 0.000 0.763 658 G HN 0.612 nan 8.290 nan 0.000 0.554 659 Y N 0.156 120.326 120.300 -0.216 0.000 2.683 659 Y HA 0.424 4.974 4.550 -0.000 0.000 0.297 659 Y C 1.692 177.317 175.900 -0.459 0.000 1.147 659 Y CA 0.079 58.025 58.100 -0.256 0.000 1.274 659 Y CB 0.623 39.020 38.460 -0.104 0.000 1.143 659 Y HN 0.284 nan 8.280 nan 0.000 0.527 660 G N -0.558 107.981 108.800 -0.436 0.000 2.192 660 G HA2 -0.140 3.820 3.960 -0.000 0.000 0.193 660 G HA3 -0.140 3.820 3.960 -0.000 0.000 0.193 660 G C 0.180 175.145 174.900 0.108 0.000 0.999 660 G CA -0.343 44.442 45.100 -0.525 0.000 0.659 660 G HN 0.523 nan 8.290 nan 0.000 0.503 661 A N 0.697 123.611 122.820 0.155 0.000 2.366 661 A HA 0.755 5.075 4.320 -0.000 0.000 0.272 661 A C 1.417 179.087 177.584 0.144 0.000 1.135 661 A CA 1.012 53.153 52.037 0.175 0.000 0.804 661 A CB 0.678 19.743 19.000 0.109 0.000 1.064 661 A HN 0.850 nan 8.150 nan 0.000 0.499 662 S N 1.250 116.966 115.700 0.027 0.000 2.414 662 S HA 0.324 4.794 4.470 -0.000 0.000 0.227 662 S C 0.913 175.459 174.600 -0.089 0.000 1.022 662 S CA 0.979 59.054 58.200 -0.208 0.000 0.958 662 S CB -0.084 63.021 63.200 -0.158 0.000 0.797 662 S HN 1.308 nan 8.310 nan 0.000 0.493 663 A N 0.740 123.558 122.820 -0.002 0.000 2.593 663 A HA 0.773 5.093 4.320 -0.000 0.000 0.290 663 A C -1.648 175.987 177.584 0.084 0.000 1.126 663 A CA -0.734 51.319 52.037 0.028 0.000 0.695 663 A CB 1.071 20.072 19.000 0.002 0.000 1.290 663 A HN 0.124 nan 8.150 nan 0.000 0.414 664 I N -0.243 120.405 120.570 0.131 0.000 2.607 664 I HA 0.359 4.529 4.170 -0.000 0.000 0.290 664 I C -0.835 175.398 176.117 0.193 0.000 1.129 664 I CA -0.397 61.005 61.300 0.170 0.000 1.042 664 I CB 0.962 39.116 38.000 0.257 0.000 1.242 664 I HN 0.680 nan 8.210 nan 0.000 0.421 665 C N 8.719 128.117 119.300 0.163 0.000 2.223 665 C HA 0.505 4.965 4.460 -0.000 0.000 0.324 665 C C -2.110 173.006 174.990 0.209 0.000 1.196 665 C CA -1.477 57.657 59.018 0.192 0.000 1.628 665 C CB 0.267 28.105 27.740 0.163 0.000 2.229 665 C HN 0.497 nan 8.230 nan 0.000 0.486 666 P HA 0.135 nan 4.420 nan 0.000 0.232 666 P C -0.013 177.356 177.300 0.115 0.000 1.814 666 P CA -0.059 63.143 63.100 0.169 0.000 1.085 666 P CB -0.398 31.549 31.700 0.411 0.000 1.901 667 Y N 0.940 121.267 120.300 0.045 0.000 2.263 667 Y HA -0.013 4.537 4.550 -0.000 0.000 0.292 667 Y C 1.829 177.698 175.900 -0.051 0.000 1.130 667 Y CA 0.564 58.659 58.100 -0.008 0.000 1.179 667 Y CB -0.980 37.454 38.460 -0.044 0.000 0.998 667 Y HN 0.020 nan 8.280 nan 0.000 0.532 668 L N 0.273 121.166 121.223 -0.550 0.000 2.156 668 L HA -0.016 4.324 4.340 -0.000 0.000 0.208 668 L C 2.611 179.400 176.870 -0.135 0.000 1.095 668 L CA 1.217 55.865 54.840 -0.319 0.000 0.770 668 L CB -0.590 41.200 42.059 -0.448 0.000 0.914 668 L HN 0.499 nan 8.230 nan 0.000 0.439 669 A N 0.006 122.822 122.820 -0.007 0.000 1.898 669 A HA -0.164 4.156 4.320 -0.000 0.000 0.216 669 A C 2.132 179.587 177.584 -0.215 0.000 1.181 669 A CA 1.096 53.149 52.037 0.027 0.000 0.620 669 A CB -0.510 18.610 19.000 0.200 0.000 0.819 669 A HN 0.398 nan 8.150 nan 0.000 0.442 670 L N -0.948 120.192 121.223 -0.138 0.000 2.017 670 L HA -0.188 4.152 4.340 -0.000 0.000 0.208 670 L C 2.663 179.461 176.870 -0.120 0.000 1.073 670 L CA 1.807 56.562 54.840 -0.142 0.000 0.745 670 L CB -0.474 41.602 42.059 0.028 0.000 0.894 670 L HN 0.475 nan 8.230 nan 0.000 0.432 671 E N 0.052 120.194 120.200 -0.098 0.000 2.153 671 E HA -0.169 4.181 4.350 -0.000 0.000 0.194 671 E C 2.184 178.740 176.600 -0.073 0.000 0.988 671 E CA 1.413 57.745 56.400 -0.112 0.000 0.811 671 E CB 0.031 29.607 29.700 -0.205 0.000 0.746 671 E HN 0.246 nan 8.360 nan 0.000 0.466 672 S N -0.701 114.937 115.700 -0.104 0.000 2.359 672 S HA -0.152 4.318 4.470 -0.000 0.000 0.224 672 S C 1.975 176.586 174.600 0.019 0.000 1.035 672 S CA 1.242 59.393 58.200 -0.081 0.000 1.018 672 S CB -0.340 62.779 63.200 -0.135 0.000 0.876 672 S HN 0.191 nan 8.310 nan 0.000 0.448 673 V N 2.033 121.923 119.914 -0.040 0.000 2.392 673 V HA -0.212 3.908 4.120 -0.000 0.000 0.249 673 V C 2.419 178.662 176.094 0.248 0.000 1.059 673 V CA 1.724 64.079 62.300 0.093 0.000 1.051 673 V CB -0.676 31.082 31.823 -0.107 0.000 0.658 673 V HN 0.387 nan 8.190 nan 0.000 0.455 674 R N -0.437 120.122 120.500 0.098 0.000 2.066 674 R HA -0.123 4.217 4.340 -0.000 0.000 0.232 674 R C 2.434 178.839 176.300 0.175 0.000 1.131 674 R CA 1.225 57.391 56.100 0.110 0.000 0.955 674 R CB -0.360 29.951 30.300 0.017 0.000 0.851 674 R HN 0.484 nan 8.270 nan 0.000 0.432 675 Q N -0.305 119.572 119.800 0.129 0.000 2.167 675 Q HA -0.193 4.147 4.340 -0.000 0.000 0.202 675 Q C 1.743 177.827 176.000 0.140 0.000 0.970 675 Q CA 1.140 57.010 55.803 0.111 0.000 0.855 675 Q CB -0.279 28.507 28.738 0.080 0.000 0.911 675 Q HN 0.477 nan 8.270 nan 0.000 0.438 676 W N 0.241 121.561 121.300 0.034 0.000 2.355 676 W HA -0.227 4.433 4.660 0.000 0.000 0.309 676 W C 1.976 178.539 176.519 0.073 0.000 1.206 676 W CA 1.282 58.649 57.345 0.036 0.000 1.284 676 W CB -0.740 28.738 29.460 0.031 0.000 1.145 676 W HN 0.212 nan 8.180 nan 0.000 0.502 677 W N 1.460 122.556 121.300 -0.339 0.000 2.378 677 W HA 0.019 4.679 4.660 -0.000 0.000 0.313 677 W C 0.475 176.747 176.519 -0.412 0.000 1.197 677 W CA 1.673 58.635 57.345 -0.638 0.000 1.304 677 W CB -0.682 28.616 29.460 -0.270 0.000 1.148 677 W HN -0.374 nan 8.180 nan 0.000 0.494 678 L N 2.971 124.208 121.223 0.023 0.000 2.410 678 L HA 0.195 4.535 4.340 -0.000 0.000 0.273 678 L C -0.553 176.211 176.870 -0.176 0.000 1.152 678 L CA 0.284 55.061 54.840 -0.105 0.000 0.855 678 L CB 0.160 42.264 42.059 0.075 0.000 1.129 678 L HN 0.038 nan 8.230 nan 0.000 0.463 679 D N 1.169 121.431 120.400 -0.231 0.000 2.526 679 D HA -0.092 4.548 4.640 -0.000 0.000 0.123 679 D C 0.427 176.586 176.300 -0.236 0.000 0.757 679 D CA -0.088 53.800 54.000 -0.186 0.000 1.317 679 D CB 0.477 41.177 40.800 -0.166 0.000 5.040 679 D HN 0.724 nan 8.370 nan 0.000 0.754 680 E N 3.424 123.524 120.200 -0.168 0.000 2.118 680 E HA -0.169 4.181 4.350 -0.000 0.000 0.195 680 E C 1.352 177.854 176.600 -0.164 0.000 0.992 680 E CA 1.248 57.550 56.400 -0.164 0.000 0.804 680 E CB 0.075 29.708 29.700 -0.111 0.000 0.741 680 E HN 0.485 nan 8.360 nan 0.000 0.458 681 K N 0.129 120.449 120.400 -0.133 0.000 2.001 681 K HA -0.158 4.162 4.320 -0.000 0.000 0.214 681 K C 2.403 178.912 176.600 -0.151 0.000 1.050 681 K CA 2.152 58.374 56.287 -0.107 0.000 0.934 681 K CB -0.544 31.920 32.500 -0.061 0.000 0.718 681 K HN 0.198 nan 8.250 nan 0.000 0.443 682 T N 1.452 115.862 114.554 -0.241 0.000 2.788 682 T HA -0.121 4.229 4.350 -0.000 0.000 0.268 682 T C 1.855 176.317 174.700 -0.396 0.000 1.044 682 T CA 1.050 62.933 62.100 -0.361 0.000 1.139 682 T CB -0.040 68.384 68.868 -0.741 0.000 0.867 682 T HN 0.221 nan 8.240 nan 0.000 0.454 683 Q N 0.723 120.270 119.800 -0.421 0.000 2.123 683 Q HA -0.002 4.338 4.340 -0.000 0.000 0.199 683 Q C 2.303 178.156 176.000 -0.246 0.000 0.966 683 Q CA 1.024 56.584 55.803 -0.406 0.000 0.845 683 Q CB -0.222 28.266 28.738 -0.416 0.000 0.907 683 Q HN 0.480 nan 8.270 nan 0.000 0.439 684 K N 0.759 121.048 120.400 -0.185 0.000 2.026 684 K HA -0.095 4.225 4.320 -0.000 0.000 0.208 684 K C 2.225 178.767 176.600 -0.097 0.000 1.048 684 K CA 0.716 56.931 56.287 -0.120 0.000 0.929 684 K CB -0.044 32.400 32.500 -0.093 0.000 0.713 684 K HN 0.087 nan 8.250 nan 0.000 0.439 685 L N 0.370 121.535 121.223 -0.097 0.000 1.989 685 L HA -0.218 4.122 4.340 -0.000 0.000 0.211 685 L C 2.669 179.507 176.870 -0.053 0.000 1.071 685 L CA 1.426 56.234 54.840 -0.054 0.000 0.749 685 L CB -0.416 41.631 42.059 -0.021 0.000 0.890 685 L HN 0.310 nan 8.230 nan 0.000 0.431 686 M N -0.766 118.775 119.600 -0.097 0.000 2.260 686 M HA -0.200 4.280 4.480 -0.000 0.000 0.261 686 M C 1.888 178.154 176.300 -0.058 0.000 1.066 686 M CA 1.430 56.684 55.300 -0.077 0.000 1.082 686 M CB -0.262 32.249 32.600 -0.149 0.000 1.388 686 M HN 0.251 nan 8.290 nan 0.000 0.419 687 E N 0.015 120.170 120.200 -0.075 0.000 2.442 687 E HA -0.059 4.291 4.350 -0.000 0.000 0.195 687 E C 0.927 177.508 176.600 -0.033 0.000 1.030 687 E CA 0.747 57.114 56.400 -0.055 0.000 0.869 687 E CB -0.121 29.536 29.700 -0.071 0.000 0.857 687 E HN 0.671 nan 8.360 nan 0.000 0.505 688 N N -1.114 117.570 118.700 -0.028 0.000 2.171 688 N HA 0.084 4.824 4.740 -0.000 0.000 0.212 688 N C 0.986 176.495 175.510 -0.002 0.000 1.184 688 N CA 0.731 53.772 53.050 -0.015 0.000 0.888 688 N CB 1.189 39.666 38.487 -0.018 0.000 1.038 688 N HN 0.048 nan 8.380 nan 0.000 0.517 689 G N 0.028 108.830 108.800 0.003 0.000 2.507 689 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.205 689 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.205 689 G C -0.296 174.622 174.900 0.031 0.000 0.996 689 G CA -0.269 44.841 45.100 0.017 0.000 0.776 689 G HN 0.541 nan 8.290 nan 0.000 0.532 690 R N 0.609 121.130 120.500 0.036 0.000 2.528 690 R HA 0.756 5.096 4.340 -0.000 0.000 0.271 690 R C 0.736 177.077 176.300 0.069 0.000 1.056 690 R CA -0.643 55.496 56.100 0.065 0.000 1.117 690 R CB 0.461 30.814 30.300 0.087 0.000 1.085 690 R HN 0.109 nan 8.270 nan 0.000 0.530 695 D N 4.869 125.380 120.400 0.184 0.000 2.385 695 D HA 0.298 4.937 4.640 -0.000 0.000 0.254 695 D C 0.678 176.704 176.300 -0.456 0.000 1.053 695 D CA -0.713 53.320 54.000 0.055 0.000 0.992 695 D CB 1.259 42.058 40.800 -0.002 0.000 1.145 695 D HN 0.338 nan 8.370 nan 0.000 0.523 696 L N 0.542 121.059 121.223 -1.177 0.000 2.046 696 L HA 0.054 4.394 4.340 -0.000 0.000 0.208 696 L C -1.084 175.415 176.870 -0.618 0.000 1.077 696 L CA 1.766 55.763 54.840 -1.405 0.000 0.747 696 L CB -1.642 39.428 42.059 -1.648 0.000 0.896 696 L HN 0.419 nan 8.230 nan 0.000 0.432 697 P HA -0.096 nan 4.420 nan 0.000 0.218 697 P C 1.557 178.751 177.300 -0.177 0.000 1.149 697 P CA 1.647 64.622 63.100 -0.208 0.000 0.817 697 P CB -0.225 31.422 31.700 -0.089 0.000 0.785 698 T N -0.435 114.029 114.554 -0.149 0.000 2.777 698 T HA -0.092 4.258 4.350 -0.000 0.000 0.266 698 T C 1.948 176.609 174.700 -0.064 0.000 1.040 698 T CA 1.591 63.652 62.100 -0.065 0.000 1.141 698 T CB -0.899 67.965 68.868 -0.007 0.000 0.868 698 T HN 0.056 nan 8.240 nan 0.000 0.444 699 A N 1.103 123.871 122.820 -0.086 0.000 1.933 699 A HA 0.031 4.351 4.320 -0.000 0.000 0.218 699 A C 2.279 179.818 177.584 -0.074 0.000 1.175 699 A CA 1.156 53.213 52.037 0.034 0.000 0.628 699 A CB -0.773 18.345 19.000 0.196 0.000 0.814 699 A HN 0.467 nan 8.150 nan 0.000 0.444 700 L N -0.881 120.160 121.223 -0.303 0.000 2.072 700 L HA -0.134 4.206 4.340 -0.000 0.000 0.205 700 L C 2.650 179.157 176.870 -0.605 0.000 1.079 700 L CA 1.403 55.865 54.840 -0.629 0.000 0.752 700 L CB -0.421 40.941 42.059 -1.161 0.000 0.906 700 L HN 0.302 nan 8.230 nan 0.000 0.436 701 K N 0.468 120.653 120.400 -0.358 0.000 2.009 701 K HA -0.213 4.107 4.320 -0.000 0.000 0.210 701 K C 1.936 178.553 176.600 0.028 0.000 1.049 701 K CA 1.727 58.022 56.287 0.014 0.000 0.929 701 K CB -0.214 32.327 32.500 0.068 0.000 0.714 701 K HN 0.245 nan 8.250 nan 0.000 0.440 702 N N 0.390 119.095 118.700 0.009 0.000 2.036 702 N HA -0.214 4.526 4.740 -0.000 0.000 0.195 702 N C 1.704 177.230 175.510 0.028 0.000 1.037 702 N CA 1.405 54.472 53.050 0.029 0.000 0.855 702 N CB -0.821 37.696 38.487 0.049 0.000 1.033 702 N HN 0.260 nan 8.380 nan 0.000 0.423 703 Y N 1.880 122.137 120.300 -0.071 0.000 2.139 703 Y HA -0.265 4.285 4.550 0.000 0.000 0.282 703 Y C 2.674 178.546 175.900 -0.046 0.000 1.179 703 Y CA 2.152 60.216 58.100 -0.061 0.000 1.161 703 Y CB -0.253 38.163 38.460 -0.073 0.000 0.970 703 Y HN 0.045 nan 8.280 nan 0.000 0.511 704 R N 0.240 120.728 120.500 -0.021 0.000 2.062 704 R HA -0.230 4.110 4.340 -0.000 0.000 0.231 704 R C 2.492 178.697 176.300 -0.158 0.000 1.136 704 R CA 1.834 57.896 56.100 -0.063 0.000 0.948 704 R CB -0.645 29.777 30.300 0.205 0.000 0.845 704 R HN 0.576 nan 8.270 nan 0.000 0.430 705 Q N 0.158 119.919 119.800 -0.066 0.000 2.248 705 Q HA -0.152 4.188 4.340 -0.000 0.000 0.208 705 Q C 1.662 177.599 176.000 -0.105 0.000 0.984 705 Q CA 1.991 57.760 55.803 -0.056 0.000 0.875 705 Q CB 0.039 28.775 28.738 -0.003 0.000 0.910 705 Q HN 0.349 nan 8.270 nan 0.000 0.433 706 S N -0.275 115.324 115.700 -0.168 0.000 2.345 706 S HA -0.111 4.359 4.470 -0.000 0.000 0.220 706 S C 1.967 176.415 174.600 -0.252 0.000 1.031 706 S CA 1.231 59.322 58.200 -0.181 0.000 0.996 706 S CB -0.264 62.814 63.200 -0.203 0.000 0.882 706 S HN 0.283 nan 8.310 nan 0.000 0.445 707 V N 2.018 121.672 119.914 -0.433 0.000 2.287 707 V HA -0.238 3.882 4.120 -0.000 0.000 0.248 707 V C 2.345 178.194 176.094 -0.408 0.000 1.053 707 V CA 1.867 63.853 62.300 -0.523 0.000 1.027 707 V CB -0.731 30.564 31.823 -0.880 0.000 0.646 707 V HN 0.484 nan 8.190 nan 0.000 0.447 708 E N 0.056 120.050 120.200 -0.344 0.000 2.031 708 E HA -0.210 4.139 4.350 -0.000 0.000 0.193 708 E C 2.351 178.810 176.600 -0.235 0.000 0.994 708 E CA 1.372 57.575 56.400 -0.328 0.000 0.800 708 E CB -0.414 29.159 29.700 -0.211 0.000 0.752 708 E HN 0.592 nan 8.360 nan 0.000 0.447 709 A N 1.089 123.892 122.820 -0.028 0.000 1.908 709 A HA -0.152 4.168 4.320 -0.000 0.000 0.218 709 A C 2.432 180.036 177.584 0.034 0.000 1.181 709 A CA 1.835 53.941 52.037 0.116 0.000 0.627 709 A CB -1.241 17.800 19.000 0.069 0.000 0.818 709 A HN 0.385 nan 8.150 nan 0.000 0.445 710 G N -0.531 108.228 108.800 -0.069 0.000 2.432 710 G HA2 -0.135 3.825 3.960 -0.000 0.000 0.219 710 G HA3 -0.135 3.825 3.960 -0.000 0.000 0.219 710 G C 1.530 176.371 174.900 -0.098 0.000 1.135 710 G CA 1.029 46.087 45.100 -0.071 0.000 0.767 710 G HN 0.447 nan 8.290 nan 0.000 0.550 711 L N -1.030 120.069 121.223 -0.207 0.000 2.131 711 L HA 0.176 4.516 4.340 -0.000 0.000 0.206 711 L C 2.629 179.345 176.870 -0.257 0.000 1.087 711 L CA 0.354 55.026 54.840 -0.280 0.000 0.767 711 L CB -0.278 41.541 42.059 -0.399 0.000 0.917 711 L HN 0.188 nan 8.230 nan 0.000 0.441 712 F N 0.471 120.349 119.950 -0.119 0.000 2.134 712 F HA -0.280 4.247 4.527 -0.000 0.000 0.299 712 F C 2.728 178.477 175.800 -0.085 0.000 1.097 712 F CA 1.385 59.326 58.000 -0.098 0.000 1.264 712 F CB -0.180 38.778 39.000 -0.070 0.000 1.001 712 F HN 0.004 nan 8.300 nan 0.000 0.479 713 K N 1.224 121.693 120.400 0.116 0.000 2.009 713 K HA -0.203 4.117 4.320 -0.000 0.000 0.210 713 K C 1.990 178.601 176.600 0.019 0.000 1.049 713 K CA 1.819 58.143 56.287 0.061 0.000 0.929 713 K CB -0.410 32.118 32.500 0.047 0.000 0.714 713 K HN 0.248 nan 8.250 nan 0.000 0.440 714 I N 1.569 122.122 120.570 -0.027 0.000 2.226 714 I HA -0.303 3.867 4.170 -0.000 0.000 0.245 714 I C 2.265 178.305 176.117 -0.128 0.000 1.100 714 I CA 1.089 62.357 61.300 -0.054 0.000 1.374 714 I CB -0.272 37.692 38.000 -0.061 0.000 1.057 714 I HN 0.231 nan 8.210 nan 0.000 0.413 715 L N 0.425 121.510 121.223 -0.229 0.000 2.093 715 L HA -0.172 4.168 4.340 -0.000 0.000 0.208 715 L C 2.831 179.686 176.870 -0.025 0.000 1.085 715 L CA 1.709 56.419 54.840 -0.215 0.000 0.755 715 L CB -0.942 40.992 42.059 -0.208 0.000 0.904 715 L HN 0.380 nan 8.230 nan 0.000 0.435 716 S N -0.107 115.602 115.700 0.015 0.000 2.419 716 S HA -0.184 4.286 4.470 -0.000 0.000 0.233 716 S C 1.875 176.506 174.600 0.052 0.000 1.016 716 S CA 0.822 59.047 58.200 0.042 0.000 0.974 716 S CB -0.281 62.948 63.200 0.048 0.000 0.786 716 S HN 0.373 nan 8.310 nan 0.000 0.492 717 K N 0.107 120.544 120.400 0.060 0.000 2.152 717 K HA -0.000 4.320 4.320 -0.000 0.000 0.206 717 K C 1.879 178.566 176.600 0.145 0.000 1.048 717 K CA 1.622 57.973 56.287 0.107 0.000 0.933 717 K CB -0.238 32.342 32.500 0.133 0.000 0.721 717 K HN 0.381 nan 8.250 nan 0.000 0.447 718 M N -0.787 118.878 119.600 0.108 0.000 2.428 718 M HA 0.191 4.671 4.480 -0.000 0.000 0.239 718 M C 0.559 176.903 176.300 0.074 0.000 1.121 718 M CA 0.538 55.893 55.300 0.092 0.000 1.019 718 M CB 0.716 33.364 32.600 0.080 0.000 1.485 718 M HN 0.274 nan 8.290 nan 0.000 0.484 719 G N 1.042 109.881 108.800 0.065 0.000 2.143 719 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.249 719 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.249 719 G C 0.103 175.035 174.900 0.054 0.000 0.981 719 G CA 0.292 45.420 45.100 0.047 0.000 0.665 719 G HN 0.502 nan 8.290 nan 0.000 0.528 720 I N 1.250 121.862 120.570 0.071 0.000 2.441 720 I HA 0.286 4.456 4.170 -0.000 0.000 0.287 720 I C 1.588 177.755 176.117 0.084 0.000 1.049 720 I CA -0.119 61.235 61.300 0.091 0.000 1.381 720 I CB 1.506 39.587 38.000 0.135 0.000 1.409 720 I HN 0.047 nan 8.210 nan 0.000 0.523 721 S N 5.589 121.345 115.700 0.093 0.000 2.387 721 S HA 0.240 4.710 4.470 -0.000 0.000 0.221 721 S C 0.590 175.268 174.600 0.130 0.000 1.041 721 S CA 0.406 58.665 58.200 0.097 0.000 0.959 721 S CB 0.122 63.370 63.200 0.080 0.000 0.843 721 S HN 0.377 nan 8.310 nan 0.000 0.488 722 L N 2.108 123.411 121.223 0.132 0.000 2.317 722 L HA 0.367 4.707 4.340 -0.000 0.000 0.281 722 L C 0.845 177.799 176.870 0.141 0.000 1.024 722 L CA -0.404 54.521 54.840 0.141 0.000 0.810 722 L CB 1.296 43.445 42.059 0.149 0.000 1.240 722 L HN 0.140 nan 8.230 nan 0.000 0.427 723 L N 3.600 124.885 121.223 0.103 0.000 2.187 723 L HA -0.176 4.164 4.340 -0.000 0.000 0.213 723 L C 2.391 179.384 176.870 0.206 0.000 1.100 723 L CA 2.106 57.014 54.840 0.114 0.000 0.765 723 L CB -0.352 41.712 42.059 0.009 0.000 0.904 723 L HN 0.829 nan 8.230 nan 0.000 0.437 724 A N -2.090 120.833 122.820 0.172 0.000 2.015 724 A HA -0.134 4.185 4.320 -0.000 0.000 0.219 724 A C 2.378 180.101 177.584 0.233 0.000 1.163 724 A CA 1.746 53.894 52.037 0.185 0.000 0.646 724 A CB -0.567 18.516 19.000 0.139 0.000 0.806 724 A HN 0.497 nan 8.150 nan 0.000 0.448 725 S N -1.985 113.846 115.700 0.217 0.000 2.414 725 S HA -0.052 4.418 4.470 -0.000 0.000 0.227 725 S C 1.750 176.497 174.600 0.244 0.000 1.022 725 S CA 0.870 59.195 58.200 0.209 0.000 0.958 725 S CB -0.472 62.826 63.200 0.163 0.000 0.797 725 S HN 0.679 nan 8.310 nan 0.000 0.493 726 Y N 2.108 122.485 120.300 0.128 0.000 2.224 726 Y HA -0.201 4.349 4.550 -0.000 0.000 0.289 726 Y C 2.379 178.374 175.900 0.158 0.000 1.146 726 Y CA 1.786 59.950 58.100 0.106 0.000 1.182 726 Y CB -0.585 37.927 38.460 0.087 0.000 0.983 726 Y HN 0.349 nan 8.280 nan 0.000 0.524 727 H N -0.654 118.534 119.070 0.197 0.000 2.289 727 H HA -0.184 4.372 4.556 -0.000 0.000 0.294 727 H C 2.375 177.806 175.328 0.173 0.000 1.095 727 H CA 2.166 58.321 56.048 0.178 0.000 1.256 727 H CB -0.867 29.035 29.762 0.233 0.000 1.359 727 H HN 0.391 nan 8.280 nan 0.000 0.487 728 G N 0.134 109.075 108.800 0.235 0.000 2.421 728 G HA2 0.041 4.001 3.960 -0.000 0.000 0.217 728 G HA3 0.041 4.001 3.960 -0.000 0.000 0.217 728 G C 0.791 175.504 174.900 -0.311 0.000 1.143 728 G CA 0.522 45.507 45.100 -0.191 0.000 0.784 728 G HN 0.727 nan 8.290 nan 0.000 0.541 729 A N -0.509 122.178 122.820 -0.221 0.000 2.346 729 A HA 0.596 4.916 4.320 -0.000 0.000 0.252 729 A C 0.255 177.627 177.584 -0.353 0.000 1.089 729 A CA -0.102 51.789 52.037 -0.244 0.000 0.797 729 A CB 0.309 19.204 19.000 -0.175 0.000 1.047 729 A HN 0.327 nan 8.150 nan 0.000 0.494 730 Q N 0.714 120.350 119.800 -0.273 0.000 2.831 730 Q HA 0.233 4.573 4.340 -0.000 0.000 0.366 730 Q C -0.789 175.171 176.000 -0.067 0.000 0.899 730 Q CA -0.412 55.201 55.803 -0.317 0.000 0.987 730 Q CB 0.698 29.251 28.738 -0.308 0.000 1.382 730 Q HN 0.631 nan 8.270 nan 0.000 0.403 731 I N 1.984 122.434 120.570 -0.200 0.000 2.749 731 I HA 0.067 4.237 4.170 -0.000 0.000 0.283 731 I C -0.492 175.309 176.117 -0.527 0.000 0.993 731 I CA 0.966 62.091 61.300 -0.291 0.000 2.393 731 I CB -1.816 36.023 38.000 -0.269 0.000 1.549 731 I HN 0.256 nan 8.210 nan 0.000 1.045 732 F N 0.482 120.472 119.950 0.066 0.000 2.641 732 F HA 0.375 4.902 4.527 -0.000 0.000 0.308 732 F C 0.290 176.198 175.800 0.179 0.000 1.105 732 F CA -0.925 57.196 58.000 0.201 0.000 0.964 732 F CB 1.632 40.866 39.000 0.390 0.000 1.294 732 F HN 0.022 nan 8.300 nan 0.000 0.442 733 E N 1.640 122.037 120.200 0.328 0.000 2.166 733 E HA 0.763 5.113 4.350 -0.000 0.000 0.275 733 E C -1.137 175.528 176.600 0.107 0.000 0.941 733 E CA -0.763 55.743 56.400 0.177 0.000 0.784 733 E CB 1.678 31.427 29.700 0.083 0.000 1.115 733 E HN 0.756 nan 8.360 nan 0.000 0.399 734 A N 4.805 127.588 122.820 -0.062 0.000 2.316 734 A HA 0.550 4.870 4.320 -0.000 0.000 0.284 734 A C -0.387 177.080 177.584 -0.194 0.000 1.115 734 A CA -0.469 51.349 52.037 -0.366 0.000 0.812 734 A CB 0.454 19.067 19.000 -0.645 0.000 1.064 734 A HN 0.684 nan 8.150 nan 0.000 0.489 735 I N 1.692 122.155 120.570 -0.178 0.000 2.493 735 I HA 0.501 4.671 4.170 -0.000 0.000 0.279 735 I C 0.858 176.973 176.117 -0.003 0.000 1.045 735 I CA 0.323 61.572 61.300 -0.085 0.000 1.106 735 I CB 1.464 39.413 38.000 -0.086 0.000 1.216 735 I HN 1.037 nan 8.210 nan 0.000 0.459 736 G N 5.318 114.103 108.800 -0.024 0.000 2.168 736 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.197 736 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.197 736 G C -0.196 174.655 174.900 -0.081 0.000 0.997 736 G CA -0.670 44.445 45.100 0.025 0.000 0.658 736 G HN 0.431 nan 8.290 nan 0.000 0.513 737 L N 1.895 123.027 121.223 -0.152 0.000 2.265 737 L HA 0.609 4.949 4.340 -0.000 0.000 0.289 737 L C 1.424 178.238 176.870 -0.092 0.000 1.033 737 L CA -0.484 54.249 54.840 -0.179 0.000 0.814 737 L CB 1.248 43.163 42.059 -0.240 0.000 1.203 737 L HN 0.206 nan 8.230 nan 0.000 0.423 738 G N 1.645 110.400 108.800 -0.076 0.000 2.690 738 G HA2 0.213 4.173 3.960 -0.000 0.000 0.239 738 G HA3 0.213 4.173 3.960 -0.000 0.000 0.239 738 G C 1.001 175.887 174.900 -0.023 0.000 1.233 738 G CA 0.278 45.349 45.100 -0.047 0.000 0.847 738 G HN 0.846 nan 8.290 nan 0.000 0.588 739 A N 0.412 123.221 122.820 -0.019 0.000 1.858 739 A HA -0.062 4.258 4.320 -0.000 0.000 0.216 739 A C 2.201 179.786 177.584 0.002 0.000 1.190 739 A CA 2.219 54.251 52.037 -0.007 0.000 0.617 739 A CB -0.550 18.443 19.000 -0.012 0.000 0.827 739 A HN 0.673 nan 8.150 nan 0.000 0.443 740 E N -0.468 119.726 120.200 -0.009 0.000 2.085 740 E HA -0.183 4.167 4.350 -0.000 0.000 0.194 740 E C 1.886 178.494 176.600 0.013 0.000 0.994 740 E CA 1.297 57.694 56.400 -0.005 0.000 0.801 740 E CB -0.361 29.318 29.700 -0.036 0.000 0.743 740 E HN 0.533 nan 8.360 nan 0.000 0.453 741 L N 0.145 121.367 121.223 -0.001 0.000 2.027 741 L HA -0.123 4.217 4.340 -0.000 0.000 0.206 741 L C 2.096 179.022 176.870 0.094 0.000 1.074 741 L CA 1.352 56.204 54.840 0.020 0.000 0.745 741 L CB -0.471 41.591 42.059 0.006 0.000 0.898 741 L HN 0.015 nan 8.230 nan 0.000 0.433 742 V N 0.005 120.001 119.914 0.137 0.000 2.282 742 V HA -0.306 3.813 4.120 -0.000 0.000 0.249 742 V C 2.685 178.828 176.094 0.082 0.000 1.057 742 V CA 2.031 64.455 62.300 0.207 0.000 1.032 742 V CB -0.773 31.129 31.823 0.132 0.000 0.645 742 V HN 0.561 nan 8.190 nan 0.000 0.447 743 E N -0.852 119.366 120.200 0.030 0.000 2.204 743 E HA -0.203 4.147 4.350 -0.000 0.000 0.194 743 E C 1.927 178.484 176.600 -0.071 0.000 0.989 743 E CA 1.230 57.608 56.400 -0.037 0.000 0.824 743 E CB -0.369 29.318 29.700 -0.022 0.000 0.756 743 E HN 0.701 nan 8.360 nan 0.000 0.477 744 Y N -0.599 119.619 120.300 -0.136 0.000 2.206 744 Y HA 0.092 4.642 4.550 -0.000 0.000 0.292 744 Y C 1.928 177.730 175.900 -0.163 0.000 1.123 744 Y CA 1.882 59.916 58.100 -0.110 0.000 1.142 744 Y CB -0.057 38.363 38.460 -0.067 0.000 1.006 744 Y HN 0.109 nan 8.280 nan 0.000 0.518 745 A N -2.444 120.241 122.820 -0.225 0.000 2.259 745 A HA 0.267 4.587 4.320 -0.000 0.000 0.213 745 A C 0.427 177.642 177.584 -0.615 0.000 1.209 745 A CA -0.048 51.653 52.037 -0.560 0.000 0.910 745 A CB -0.268 18.133 19.000 -0.999 0.000 0.946 745 A HN 0.395 nan 8.150 nan 0.000 0.497 746 F N 0.018 120.008 119.950 0.065 0.000 2.810 746 F HA 0.493 5.020 4.527 -0.000 0.000 0.353 746 F C 0.965 176.804 175.800 0.064 0.000 1.227 746 F CA -0.565 57.520 58.000 0.143 0.000 1.210 746 F CB 0.369 39.397 39.000 0.047 0.000 1.039 746 F HN 0.142 nan 8.300 nan 0.000 0.509 747 A N 0.746 123.404 122.820 -0.270 0.000 2.580 747 A HA 0.345 4.665 4.320 -0.000 0.000 0.244 747 A C 1.495 179.019 177.584 -0.100 0.000 1.045 747 A CA 1.320 53.162 52.037 -0.325 0.000 0.761 747 A CB -0.658 17.931 19.000 -0.684 0.000 0.962 747 A HN 1.257 nan 8.150 nan 0.000 0.512 748 G N 2.176 110.971 108.800 -0.009 0.000 2.176 748 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.232 748 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.232 748 G C 0.383 175.340 174.900 0.095 0.000 0.986 748 G CA 0.343 45.460 45.100 0.028 0.000 0.643 748 G HN 1.192 nan 8.290 nan 0.000 0.522 749 T N 1.857 116.520 114.554 0.181 0.000 2.856 749 T HA 0.539 4.889 4.350 -0.000 0.000 0.292 749 T C 0.806 175.581 174.700 0.124 0.000 0.980 749 T CA 0.634 62.866 62.100 0.220 0.000 1.091 749 T CB 1.524 70.625 68.868 0.389 0.000 0.936 749 T HN 0.873 nan 8.240 nan 0.000 0.503 750 T N 0.200 114.808 114.554 0.090 0.000 2.910 750 T HA 0.515 4.865 4.350 -0.000 0.000 0.293 750 T C -0.048 174.664 174.700 0.019 0.000 1.015 750 T CA -0.613 61.513 62.100 0.043 0.000 1.094 750 T CB 1.011 69.895 68.868 0.026 0.000 0.968 750 T HN 0.427 nan 8.240 nan 0.000 0.521 751 S N 1.900 117.598 115.700 -0.004 0.000 2.446 751 S HA 0.345 4.815 4.470 -0.000 0.000 0.230 751 S C 0.489 175.072 174.600 -0.028 0.000 1.051 751 S CA -0.795 57.383 58.200 -0.035 0.000 1.113 751 S CB 0.453 63.624 63.200 -0.049 0.000 1.184 751 S HN 0.815 nan 8.310 nan 0.000 0.435 752 R N 2.226 122.709 120.500 -0.029 0.000 2.300 752 R HA 0.270 4.610 4.340 -0.000 0.000 0.199 752 R C 0.818 177.103 176.300 -0.025 0.000 0.920 752 R CA 0.317 56.404 56.100 -0.022 0.000 1.046 752 R CB 0.547 30.836 30.300 -0.018 0.000 0.984 752 R HN 0.384 nan 8.270 nan 0.000 0.493 753 V N -0.009 119.885 119.914 -0.033 0.000 3.252 753 V HA 0.210 4.330 4.120 -0.000 0.000 0.320 753 V C 0.209 176.285 176.094 -0.031 0.000 1.459 753 V CA 0.296 62.577 62.300 -0.033 0.000 1.095 753 V CB 0.915 32.714 31.823 -0.041 0.000 0.997 753 V HN 0.463 nan 8.190 nan 0.000 0.469 754 G N 1.237 110.018 108.800 -0.033 0.000 2.306 754 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.274 754 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.274 754 G C 0.841 175.719 174.900 -0.038 0.000 0.890 754 G CA 0.699 45.778 45.100 -0.034 0.000 1.298 754 G HN 0.784 nan 8.290 nan 0.000 0.445 755 G N 0.319 109.090 108.800 -0.047 0.000 2.542 755 G HA2 0.391 4.351 3.960 -0.000 0.000 0.211 755 G HA3 0.391 4.351 3.960 -0.000 0.000 0.211 755 G C 0.615 175.477 174.900 -0.064 0.000 1.702 755 G CA -0.144 44.929 45.100 -0.044 0.000 0.935 755 G HN 0.550 nan 8.290 nan 0.000 0.509 756 L N 2.004 123.163 121.223 -0.107 0.000 2.453 756 L HA 0.294 4.634 4.340 -0.000 0.000 0.272 756 L C 1.355 178.163 176.870 -0.104 0.000 1.182 756 L CA -0.070 54.694 54.840 -0.127 0.000 0.858 756 L CB 0.912 42.827 42.059 -0.239 0.000 1.120 756 L HN 0.529 nan 8.230 nan 0.000 0.474 757 T N -0.269 114.231 114.554 -0.090 0.000 2.849 757 T HA 0.464 4.814 4.350 -0.000 0.000 0.276 757 T C 1.521 176.158 174.700 -0.105 0.000 0.971 757 T CA -0.654 61.393 62.100 -0.089 0.000 0.949 757 T CB 0.630 69.450 68.868 -0.079 0.000 1.093 757 T HN 0.379 nan 8.240 nan 0.000 0.545 758 I N 0.595 121.091 120.570 -0.124 0.000 2.315 758 I HA -0.055 4.115 4.170 -0.000 0.000 0.248 758 I C 2.962 179.007 176.117 -0.120 0.000 1.117 758 I CA 1.344 62.559 61.300 -0.142 0.000 1.404 758 I CB -0.732 37.141 38.000 -0.212 0.000 1.071 758 I HN 0.835 nan 8.210 nan 0.000 0.419 759 A N 0.341 123.096 122.820 -0.108 0.000 2.019 759 A HA -0.203 4.117 4.320 -0.000 0.000 0.219 759 A C 1.919 179.461 177.584 -0.071 0.000 1.164 759 A CA 1.708 53.693 52.037 -0.087 0.000 0.644 759 A CB -0.454 18.500 19.000 -0.077 0.000 0.805 759 A HN 0.349 nan 8.150 nan 0.000 0.449 760 D N -0.510 119.846 120.400 -0.074 0.000 2.224 760 D HA -0.094 4.546 4.640 -0.000 0.000 0.205 760 D C 2.061 178.321 176.300 -0.067 0.000 0.965 760 D CA 1.476 55.438 54.000 -0.064 0.000 0.852 760 D CB -0.145 40.614 40.800 -0.068 0.000 0.947 760 D HN 0.373 nan 8.370 nan 0.000 0.494 761 V N 0.560 120.423 119.914 -0.085 0.000 2.591 761 V HA -0.019 4.101 4.120 -0.000 0.000 0.249 761 V C 2.193 178.255 176.094 -0.054 0.000 1.053 761 V CA 1.696 63.952 62.300 -0.074 0.000 1.068 761 V CB -0.201 31.568 31.823 -0.090 0.000 0.689 761 V HN 0.090 nan 8.190 nan 0.000 0.462 762 A N 1.034 123.816 122.820 -0.063 0.000 1.873 762 A HA -0.073 4.247 4.320 -0.000 0.000 0.218 762 A C 2.469 180.024 177.584 -0.048 0.000 1.193 762 A CA 2.244 54.248 52.037 -0.056 0.000 0.629 762 A CB -1.754 17.218 19.000 -0.047 0.000 0.826 762 A HN 0.808 nan 8.150 nan 0.000 0.447 763 G N -0.824 107.952 108.800 -0.040 0.000 2.469 763 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.220 763 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.220 763 G C 1.494 176.381 174.900 -0.023 0.000 1.136 763 G CA 1.112 46.194 45.100 -0.030 0.000 0.759 763 G HN 0.642 nan 8.290 nan 0.000 0.562 764 E N -0.299 119.892 120.200 -0.015 0.000 2.028 764 E HA -0.111 4.239 4.350 -0.000 0.000 0.191 764 E C 2.785 179.404 176.600 0.032 0.000 0.988 764 E CA 1.334 57.733 56.400 -0.001 0.000 0.799 764 E CB -0.368 29.362 29.700 0.050 0.000 0.755 764 E HN 0.311 nan 8.360 nan 0.000 0.447 765 V N 0.868 120.810 119.914 0.047 0.000 2.469 765 V HA -0.233 3.887 4.120 -0.000 0.000 0.251 765 V C 1.946 178.095 176.094 0.092 0.000 1.064 765 V CA 1.465 63.808 62.300 0.072 0.000 1.066 765 V CB -0.265 31.413 31.823 -0.242 0.000 0.667 765 V HN 0.235 nan 8.190 nan 0.000 0.461 766 M N -0.469 119.146 119.600 0.025 0.000 2.394 766 M HA 0.009 4.489 4.480 -0.000 0.000 0.264 766 M C 2.106 178.479 176.300 0.122 0.000 1.073 766 M CA 1.243 56.581 55.300 0.063 0.000 1.111 766 M CB -0.924 31.667 32.600 -0.015 0.000 1.401 766 M HN 0.404 nan 8.290 nan 0.000 0.448 767 V N -0.415 119.523 119.914 0.039 0.000 2.358 767 V HA -0.231 3.889 4.120 -0.000 0.000 0.246 767 V C 2.138 178.251 176.094 0.031 0.000 1.047 767 V CA 1.626 63.912 62.300 -0.023 0.000 1.035 767 V CB -0.846 30.879 31.823 -0.164 0.000 0.658 767 V HN 0.251 nan 8.190 nan 0.000 0.452 768 F N -0.169 119.876 119.950 0.157 0.000 2.171 768 F HA -0.207 4.320 4.527 -0.000 0.000 0.300 768 F C 2.516 178.406 175.800 0.149 0.000 1.090 768 F CA 1.954 60.058 58.000 0.174 0.000 1.293 768 F CB -0.434 38.698 39.000 0.220 0.000 1.013 768 F HN 0.245 nan 8.300 nan 0.000 0.486 769 H N -0.134 119.095 119.070 0.265 0.000 2.352 769 H HA -0.115 4.441 4.556 -0.000 0.000 0.299 769 H C 2.423 177.886 175.328 0.226 0.000 1.097 769 H CA 1.750 57.951 56.048 0.254 0.000 1.311 769 H CB -0.650 29.234 29.762 0.204 0.000 1.377 769 H HN 0.187 nan 8.280 nan 0.000 0.504 770 G N -0.232 108.706 108.800 0.230 0.000 2.432 770 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.219 770 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.219 770 G C 1.598 176.531 174.900 0.055 0.000 1.135 770 G CA 0.907 46.089 45.100 0.137 0.000 0.767 770 G HN 0.412 nan 8.290 nan 0.000 0.550 771 M N 0.534 120.173 119.600 0.066 0.000 2.319 771 M HA 0.152 4.632 4.480 -0.000 0.000 0.265 771 M C 2.759 179.016 176.300 -0.072 0.000 1.068 771 M CA 1.182 56.508 55.300 0.044 0.000 1.118 771 M CB 0.135 32.827 32.600 0.154 0.000 1.395 771 M HN 0.309 nan 8.290 nan 0.000 0.435 772 A N -0.621 122.067 122.820 -0.220 0.000 1.997 772 A HA 0.267 4.587 4.320 -0.000 0.000 0.212 772 A C 0.599 177.729 177.584 -0.757 0.000 1.178 772 A CA 0.458 52.149 52.037 -0.576 0.000 0.698 772 A CB 0.164 18.626 19.000 -0.896 0.000 0.842 772 A HN 0.325 nan 8.150 nan 0.000 0.458 779 K N 1.326 121.699 120.400 -0.045 0.000 2.536 779 K HA 0.367 4.687 4.320 -0.000 0.000 0.269 779 K C -0.968 175.601 176.600 -0.051 0.000 0.965 779 K CA -0.804 55.457 56.287 -0.044 0.000 0.860 779 K CB 1.616 34.092 32.500 -0.041 0.000 1.423 779 K HN 0.125 nan 8.250 nan 0.000 0.438 780 L N 1.472 122.668 121.223 -0.044 0.000 2.467 780 L HA 0.147 4.487 4.340 -0.000 0.000 0.270 780 L C 0.736 177.557 176.870 -0.082 0.000 1.205 780 L CA -0.130 54.687 54.840 -0.038 0.000 0.828 780 L CB 0.316 42.369 42.059 -0.011 0.000 1.101 780 L HN 0.753 nan 8.230 nan 0.000 0.479 781 E N 2.002 122.135 120.200 -0.112 0.000 2.354 781 E HA 0.014 4.364 4.350 -0.000 0.000 0.269 781 E C -0.531 175.838 176.600 -0.385 0.000 1.036 781 E CA -0.504 55.719 56.400 -0.294 0.000 0.876 781 E CB 0.729 30.184 29.700 -0.409 0.000 1.009 781 E HN 0.399 nan 8.360 nan 0.000 0.416 782 N N 4.007 122.449 118.700 -0.429 0.000 2.444 782 N HA 0.195 4.935 4.740 -0.000 0.000 0.262 782 N C -1.578 173.623 175.510 -0.516 0.000 0.974 782 N CA -0.279 52.564 53.050 -0.345 0.000 0.933 782 N CB 0.299 38.676 38.487 -0.183 0.000 1.137 782 N HN 0.307 nan 8.380 nan 0.000 0.498 783 F N 0.055 119.842 119.950 -0.270 0.000 2.410 783 F HA 0.405 4.932 4.527 0.000 0.000 0.324 783 F C 1.986 177.529 175.800 -0.429 0.000 1.093 783 F CA -0.873 56.830 58.000 -0.495 0.000 1.028 783 F CB 0.912 39.297 39.000 -1.025 0.000 1.309 783 F HN 0.516 nan 8.300 nan 0.000 0.499 784 G N -0.130 108.586 108.800 -0.140 0.000 3.332 784 G HA2 0.012 3.972 3.960 -0.000 0.000 0.242 784 G HA3 0.012 3.972 3.960 -0.000 0.000 0.242 784 G C 0.990 176.074 174.900 0.305 0.000 1.276 784 G CA -0.089 45.032 45.100 0.035 0.000 0.988 784 G HN 0.561 nan 8.290 nan 0.000 0.517 785 F N -0.354 119.754 119.950 0.263 0.000 2.075 785 F HA -0.141 4.386 4.527 -0.000 0.000 0.297 785 F C 2.512 178.456 175.800 0.241 0.000 1.113 785 F CA 0.734 58.859 58.000 0.208 0.000 1.218 785 F CB 0.051 39.141 39.000 0.150 0.000 0.984 785 F HN 0.100 nan 8.300 nan 0.000 0.472 786 V N -1.631 118.471 119.914 0.312 0.000 2.575 786 V HA 0.001 4.120 4.120 -0.000 0.000 0.242 786 V C 0.295 176.461 176.094 0.120 0.000 1.045 786 V CA 0.790 63.144 62.300 0.090 0.000 1.065 786 V CB -0.277 31.410 31.823 -0.227 0.000 0.717 786 V HN 0.156 nan 8.190 nan 0.000 0.467 787 N N -0.656 118.080 118.700 0.060 0.000 2.319 787 N HA 0.289 5.029 4.740 -0.000 0.000 0.305 787 N C -0.953 174.463 175.510 -0.157 0.000 1.103 787 N CA -0.536 52.512 53.050 -0.004 0.000 0.815 787 N CB 1.702 40.232 38.487 0.072 0.000 1.288 787 N HN 0.303 nan 8.380 nan 0.000 0.493 788 Y N 1.914 121.953 120.300 -0.437 0.000 2.811 788 Y HA -0.033 4.517 4.550 -0.000 0.000 0.334 788 Y C -0.081 175.769 175.900 -0.084 0.000 1.247 788 Y CA 0.616 58.526 58.100 -0.317 0.000 1.526 788 Y CB 0.481 38.794 38.460 -0.245 0.000 1.284 788 Y HN 0.272 nan 8.280 nan 0.000 0.586 789 R N 6.381 126.347 120.500 -0.889 0.000 2.686 789 R HA 0.222 4.562 4.340 -0.000 0.000 0.283 789 R C -2.102 173.648 176.300 -0.916 0.000 0.978 789 R CA -1.822 53.847 56.100 -0.718 0.000 0.897 789 R CB 1.853 31.966 30.300 -0.313 0.000 1.192 789 R HN 0.457 nan 8.270 nan 0.000 0.457 790 P HA -0.140 nan 4.420 nan 0.000 0.214 790 P C 1.181 178.388 177.300 -0.156 0.000 1.163 790 P CA 1.355 64.310 63.100 -0.241 0.000 0.889 790 P CB 0.148 31.801 31.700 -0.078 0.000 0.790 791 G N -1.226 107.494 108.800 -0.134 0.000 2.679 791 G HA2 0.096 4.056 3.960 -0.000 0.000 0.212 791 G HA3 0.096 4.056 3.960 -0.000 0.000 0.212 791 G C 0.883 175.756 174.900 -0.045 0.000 1.137 791 G CA 0.510 45.564 45.100 -0.077 0.000 0.787 791 G HN 0.450 nan 8.290 nan 0.000 0.534 792 G N -0.321 108.427 108.800 -0.087 0.000 2.532 792 G HA2 0.435 4.395 3.960 -0.000 0.000 0.291 792 G HA3 0.435 4.395 3.960 -0.000 0.000 0.291 792 G C -0.342 174.597 174.900 0.065 0.000 1.349 792 G CA -0.477 44.613 45.100 -0.016 0.000 1.038 792 G HN 0.210 nan 8.290 nan 0.000 0.518 793 E N -1.313 118.925 120.200 0.063 0.000 2.481 793 E HA -0.009 4.341 4.350 -0.000 0.000 0.263 793 E C -0.590 176.115 176.600 0.174 0.000 0.992 793 E CA -0.079 56.386 56.400 0.110 0.000 0.938 793 E CB 0.121 29.897 29.700 0.128 0.000 0.933 793 E HN 0.316 nan 8.360 nan 0.000 0.453 794 Y N 4.419 124.750 120.300 0.052 0.000 2.497 794 Y HA 0.106 4.656 4.550 -0.000 0.000 0.334 794 Y C -0.303 175.592 175.900 -0.009 0.000 1.199 794 Y CA 0.488 58.634 58.100 0.077 0.000 1.425 794 Y CB 0.462 38.952 38.460 0.051 0.000 1.291 794 Y HN 0.505 nan 8.280 nan 0.000 0.562 795 H N 7.041 125.710 119.070 -0.669 0.000 2.589 795 H HA 0.167 4.723 4.556 -0.000 0.000 0.351 795 H C 0.341 175.134 175.328 -0.893 0.000 1.074 795 H CA -0.537 55.217 56.048 -0.491 0.000 1.203 795 H CB 2.180 31.889 29.762 -0.088 0.000 1.558 795 H HN 0.851 nan 8.280 nan 0.000 0.522 796 M N 1.735 121.124 119.600 -0.352 0.000 2.200 796 M HA -0.043 4.437 4.480 -0.000 0.000 0.265 796 M C 0.188 176.479 176.300 -0.015 0.000 1.066 796 M CA 1.206 56.434 55.300 -0.119 0.000 1.127 796 M CB 0.245 32.899 32.600 0.089 0.000 1.379 796 M HN 0.347 nan 8.290 nan 0.000 0.420 797 N N 1.206 119.920 118.700 0.023 0.000 2.801 797 N HA 0.178 4.918 4.740 -0.000 0.000 0.235 797 N C -1.039 174.463 175.510 -0.014 0.000 1.069 797 N CA -0.027 53.046 53.050 0.039 0.000 0.946 797 N CB 0.585 39.107 38.487 0.059 0.000 1.212 797 N HN 0.201 nan 8.380 nan 0.000 0.509 798 S N 0.554 116.216 115.700 -0.063 0.000 2.608 798 S HA 0.485 4.955 4.470 -0.000 0.000 0.291 798 S C -1.748 172.747 174.600 -0.175 0.000 1.146 798 S CA -1.272 56.793 58.200 -0.225 0.000 1.043 798 S CB 2.351 65.325 63.200 -0.378 0.000 1.037 798 S HN 0.031 nan 8.310 nan 0.000 0.520 799 P HA -0.228 nan 4.420 nan 0.000 0.216 799 P C 1.534 178.794 177.300 -0.067 0.000 1.154 799 P CA 1.595 64.610 63.100 -0.141 0.000 0.865 799 P CB -0.005 31.597 31.700 -0.164 0.000 0.789 800 E N -0.445 119.717 120.200 -0.062 0.000 2.072 800 E HA -0.162 4.188 4.350 -0.000 0.000 0.190 800 E C 2.068 178.771 176.600 0.171 0.000 0.982 800 E CA 0.962 57.419 56.400 0.095 0.000 0.803 800 E CB -1.317 28.504 29.700 0.203 0.000 0.755 800 E HN 0.231 nan 8.360 nan 0.000 0.453 801 M N 1.788 121.536 119.600 0.246 0.000 2.073 801 M HA -0.187 4.293 4.480 -0.000 0.000 0.258 801 M C 2.154 178.548 176.300 0.157 0.000 1.070 801 M CA 2.039 57.485 55.300 0.244 0.000 1.103 801 M CB -0.287 32.483 32.600 0.283 0.000 1.321 801 M HN 0.018 nan 8.290 nan 0.000 0.405 802 S N 0.743 116.497 115.700 0.090 0.000 2.383 802 S HA -0.169 4.301 4.470 -0.000 0.000 0.229 802 S C 1.796 176.413 174.600 0.027 0.000 1.030 802 S CA 1.668 59.888 58.200 0.033 0.000 1.002 802 S CB -0.284 62.908 63.200 -0.014 0.000 0.829 802 S HN 0.501 nan 8.310 nan 0.000 0.467 803 K N 1.208 121.630 120.400 0.036 0.000 2.001 803 K HA -0.054 4.266 4.320 -0.000 0.000 0.208 803 K C 2.557 179.203 176.600 0.077 0.000 1.048 803 K CA 1.579 57.898 56.287 0.055 0.000 0.932 803 K CB -0.273 32.253 32.500 0.042 0.000 0.715 803 K HN 0.467 nan 8.250 nan 0.000 0.437 804 S N 1.066 116.791 115.700 0.041 0.000 2.447 804 S HA -0.103 4.367 4.470 -0.000 0.000 0.233 804 S C 1.868 176.491 174.600 0.039 0.000 1.006 804 S CA 0.684 58.903 58.200 0.031 0.000 0.957 804 S CB -0.175 62.968 63.200 -0.095 0.000 0.773 804 S HN 0.187 nan 8.310 nan 0.000 0.507 805 L N 1.313 122.529 121.223 -0.012 0.000 2.162 805 L HA 0.194 4.534 4.340 -0.000 0.000 0.205 805 L C 2.272 179.123 176.870 -0.031 0.000 1.086 805 L CA 1.737 56.475 54.840 -0.171 0.000 0.778 805 L CB -0.950 40.805 42.059 -0.506 0.000 0.928 805 L HN 0.326 nan 8.230 nan 0.000 0.446 806 H N -0.094 118.924 119.070 -0.087 0.000 2.421 806 H HA -0.108 4.448 4.556 -0.000 0.000 0.298 806 H C 2.102 177.409 175.328 -0.036 0.000 1.087 806 H CA 1.996 58.002 56.048 -0.071 0.000 1.330 806 H CB 0.159 29.874 29.762 -0.078 0.000 1.388 806 H HN 0.322 nan 8.280 nan 0.000 0.526 807 K N -0.541 119.831 120.400 -0.046 0.000 2.062 807 K HA 0.013 4.333 4.320 -0.000 0.000 0.205 807 K C 2.373 178.873 176.600 -0.167 0.000 1.051 807 K CA 0.851 57.071 56.287 -0.112 0.000 0.941 807 K CB -0.006 32.558 32.500 0.107 0.000 0.719 807 K HN 0.304 nan 8.250 nan 0.000 0.440 808 A N 0.831 123.646 122.820 -0.008 0.000 1.902 808 A HA -0.118 4.202 4.320 -0.000 0.000 0.217 808 A C 2.273 179.967 177.584 0.183 0.000 1.181 808 A CA 1.306 53.390 52.037 0.079 0.000 0.623 808 A CB -0.584 18.517 19.000 0.170 0.000 0.818 808 A HN 0.102 nan 8.150 nan 0.000 0.443 809 V N -0.412 119.593 119.914 0.151 0.000 2.809 809 V HA -0.104 4.016 4.120 -0.000 0.000 0.256 809 V C 2.739 178.816 176.094 -0.028 0.000 1.080 809 V CA 1.467 63.844 62.300 0.128 0.000 1.102 809 V CB -0.479 31.397 31.823 0.087 0.000 0.705 809 V HN 0.594 nan 8.190 nan 0.000 0.475 810 A N -0.727 122.000 122.820 -0.155 0.000 2.168 810 A HA 0.327 4.647 4.320 -0.000 0.000 0.215 810 A C 1.778 179.297 177.584 -0.109 0.000 1.152 810 A CA 1.242 53.151 52.037 -0.213 0.000 0.716 810 A CB -0.192 18.606 19.000 -0.337 0.000 0.794 810 A HN 0.605 nan 8.150 nan 0.000 0.465 811 A N -2.328 120.465 122.820 -0.046 0.000 2.610 811 A HA 0.552 4.871 4.320 -0.000 0.000 0.291 811 A C 0.067 177.736 177.584 0.142 0.000 1.116 811 A CA -0.175 51.858 52.037 -0.005 0.000 0.963 811 A CB 0.144 19.090 19.000 -0.090 0.000 1.220 811 A HN 1.074 nan 8.150 nan 0.000 0.530 826 H N 0.978 120.042 119.070 -0.010 0.000 2.535 826 H HA -0.032 4.524 4.556 -0.000 0.000 0.273 826 H C 0.788 176.104 175.328 -0.021 0.000 0.983 826 H CA 0.377 56.411 56.048 -0.024 0.000 1.238 826 H CB 0.698 30.454 29.762 -0.011 0.000 1.412 826 H HN 0.366 nan 8.280 nan 0.000 0.562 827 Y N 2.208 122.470 120.300 -0.064 0.000 2.293 827 Y HA -0.149 4.401 4.550 -0.000 0.000 0.291 827 Y C 2.173 178.047 175.900 -0.043 0.000 1.137 827 Y CA 1.060 59.068 58.100 -0.153 0.000 1.202 827 Y CB 0.106 38.238 38.460 -0.548 0.000 0.990 827 Y HN 0.104 nan 8.280 nan 0.000 0.537 828 E N -0.049 120.135 120.200 -0.027 0.000 2.023 828 E HA -0.246 4.104 4.350 -0.000 0.000 0.196 828 E C 2.259 178.760 176.600 -0.166 0.000 1.003 828 E CA 1.802 58.150 56.400 -0.087 0.000 0.809 828 E CB -0.411 29.264 29.700 -0.042 0.000 0.755 828 E HN 0.414 nan 8.360 nan 0.000 0.449 829 L N 0.107 121.218 121.223 -0.187 0.000 2.013 829 L HA -0.256 4.084 4.340 -0.000 0.000 0.212 829 L C 2.569 179.151 176.870 -0.480 0.000 1.073 829 L CA 1.711 56.351 54.840 -0.334 0.000 0.753 829 L CB -0.630 41.188 42.059 -0.402 0.000 0.890 829 L HN 0.332 nan 8.230 nan 0.000 0.432 830 Y N 1.043 121.060 120.300 -0.472 0.000 2.097 830 Y HA -0.350 4.200 4.550 -0.000 0.000 0.282 830 Y C 2.790 178.483 175.900 -0.344 0.000 1.152 830 Y CA 2.007 59.857 58.100 -0.417 0.000 1.136 830 Y CB -0.328 37.916 38.460 -0.360 0.000 0.975 830 Y HN -0.035 nan 8.280 nan 0.000 0.498 831 R N 0.671 120.786 120.500 -0.642 0.000 2.073 831 R HA -0.158 4.182 4.340 -0.000 0.000 0.234 831 R C 2.361 178.449 176.300 -0.353 0.000 1.134 831 R CA 2.261 57.992 56.100 -0.615 0.000 0.952 831 R CB -0.658 29.390 30.300 -0.420 0.000 0.850 831 R HN 0.592 nan 8.270 nan 0.000 0.433 832 Q N -1.347 118.322 119.800 -0.218 0.000 2.170 832 Q HA -0.163 4.177 4.340 -0.000 0.000 0.203 832 Q C 1.865 177.905 176.000 0.067 0.000 0.976 832 Q CA 1.651 57.408 55.803 -0.076 0.000 0.858 832 Q CB -0.128 28.596 28.738 -0.024 0.000 0.907 832 Q HN 0.565 nan 8.270 nan 0.000 0.433 833 Y N 0.027 120.238 120.300 -0.147 0.000 2.293 833 Y HA -0.193 4.357 4.550 -0.000 0.000 0.291 833 Y C 2.060 177.917 175.900 -0.072 0.000 1.137 833 Y CA 0.144 58.202 58.100 -0.071 0.000 1.202 833 Y CB 0.145 38.586 38.460 -0.032 0.000 0.990 833 Y HN 0.138 nan 8.280 nan 0.000 0.537 834 L N -0.208 120.989 121.223 -0.043 0.000 2.109 834 L HA -0.188 4.152 4.340 -0.000 0.000 0.207 834 L C 2.306 179.090 176.870 -0.143 0.000 1.086 834 L CA 1.254 56.032 54.840 -0.103 0.000 0.760 834 L CB -0.313 41.578 42.059 -0.280 0.000 0.910 834 L HN 0.131 nan 8.230 nan 0.000 0.437 835 K N -0.120 120.176 120.400 -0.173 0.000 2.137 835 K HA -0.087 4.233 4.320 -0.000 0.000 0.202 835 K C 0.810 177.302 176.600 -0.180 0.000 1.052 835 K CA 0.907 57.068 56.287 -0.210 0.000 0.961 835 K CB 0.058 32.440 32.500 -0.196 0.000 0.741 835 K HN 0.165 nan 8.250 nan 0.000 0.452 836 D N 1.273 121.594 120.400 -0.132 0.000 2.332 836 D HA -0.043 4.597 4.640 -0.000 0.000 0.244 836 D C 0.295 176.457 176.300 -0.230 0.000 1.136 836 D CA 0.284 54.201 54.000 -0.138 0.000 0.884 836 D CB -0.177 40.574 40.800 -0.083 0.000 0.906 836 D HN 0.213 nan 8.370 nan 0.000 0.520 837 R N 0.940 121.246 120.500 -0.324 0.000 2.679 837 R HA 0.341 4.681 4.340 -0.000 0.000 0.269 837 R C -2.286 173.743 176.300 -0.451 0.000 1.076 837 R CA -1.059 54.642 56.100 -0.666 0.000 1.160 837 R CB -0.013 29.932 30.300 -0.592 0.000 1.054 837 R HN -0.130 nan 8.270 nan 0.000 0.507 838 P HA 0.023 nan 4.420 nan 0.000 0.281 838 P C -0.383 176.821 177.300 -0.161 0.000 1.264 838 P CA -0.691 62.305 63.100 -0.174 0.000 0.824 838 P CB 1.009 32.699 31.700 -0.016 0.000 1.092 839 V N 1.773 121.636 119.914 -0.085 0.000 2.678 839 V HA -0.110 4.010 4.120 -0.000 0.000 0.304 839 V C 0.588 176.641 176.094 -0.068 0.000 1.086 839 V CA 1.887 64.141 62.300 -0.076 0.000 1.246 839 V CB -0.555 31.230 31.823 -0.064 0.000 0.861 839 V HN 0.809 nan 8.190 nan 0.000 0.491 840 T N 5.060 119.611 114.554 -0.005 0.000 3.057 840 T HA 0.541 4.891 4.350 -0.000 0.000 0.254 840 T C 0.171 174.901 174.700 0.050 0.000 0.965 840 T CA 0.603 62.734 62.100 0.052 0.000 0.978 840 T CB 0.662 69.618 68.868 0.148 0.000 1.169 840 T HN 1.088 nan 8.240 nan 0.000 0.489 841 A N 0.210 123.059 122.820 0.048 0.000 2.515 841 A HA 0.772 5.092 4.320 -0.000 0.000 0.296 841 A C 0.699 178.273 177.584 -0.017 0.000 1.094 841 A CA -0.600 51.454 52.037 0.027 0.000 0.718 841 A CB 0.670 19.706 19.000 0.059 0.000 1.307 841 A HN 0.203 nan 8.150 nan 0.000 0.408 842 L N 0.760 121.931 121.223 -0.087 0.000 2.013 842 L HA -0.238 4.102 4.340 -0.000 0.000 0.212 842 L C 2.876 179.703 176.870 -0.073 0.000 1.073 842 L CA 2.242 57.023 54.840 -0.099 0.000 0.753 842 L CB -0.499 41.470 42.059 -0.150 0.000 0.890 842 L HN 1.016 nan 8.230 nan 0.000 0.432 843 R N 0.112 120.547 120.500 -0.109 0.000 2.185 843 R HA -0.227 4.113 4.340 -0.000 0.000 0.247 843 R C 1.237 177.642 176.300 0.175 0.000 1.159 843 R CA 1.999 58.077 56.100 -0.037 0.000 0.988 843 R CB -0.778 29.458 30.300 -0.106 0.000 0.871 843 R HN 0.369 nan 8.270 nan 0.000 0.458 844 D N 1.049 121.562 120.400 0.188 0.000 2.310 844 D HA -0.055 4.585 4.640 -0.000 0.000 0.212 844 D C 1.816 178.171 176.300 0.092 0.000 0.965 844 D CA 0.842 54.952 54.000 0.183 0.000 0.879 844 D CB 0.014 40.856 40.800 0.071 0.000 0.921 844 D HN 0.366 nan 8.370 nan 0.000 0.510 845 L N -0.093 121.159 121.223 0.049 0.000 2.509 845 L HA 0.126 4.466 4.340 -0.000 0.000 0.222 845 L C 0.839 177.719 176.870 0.016 0.000 1.123 845 L CA 0.120 54.971 54.840 0.018 0.000 0.856 845 L CB 0.050 42.106 42.059 -0.004 0.000 0.985 845 L HN -0.114 nan 8.230 nan 0.000 0.456 846 L N -0.630 120.607 121.223 0.023 0.000 2.375 846 L HA 0.448 4.788 4.340 -0.000 0.000 0.268 846 L C -0.634 176.212 176.870 -0.041 0.000 1.058 846 L CA -0.389 54.439 54.840 -0.019 0.000 0.803 846 L CB 1.254 43.276 42.059 -0.061 0.000 1.212 846 L HN -0.128 nan 8.230 nan 0.000 0.451 847 D N -0.414 119.924 120.400 -0.104 0.000 2.579 847 D HA 0.433 5.073 4.640 -0.000 0.000 0.257 847 D C -1.239 174.943 176.300 -0.196 0.000 1.176 847 D CA -0.465 53.420 54.000 -0.191 0.000 0.914 847 D CB 1.582 42.361 40.800 -0.035 0.000 1.431 847 D HN 0.114 nan 8.370 nan 0.000 0.454 848 F N 1.027 121.074 119.950 0.162 0.000 2.375 848 F HA 0.367 4.894 4.527 -0.000 0.000 0.333 848 F C 1.002 176.894 175.800 0.154 0.000 1.104 848 F CA -0.625 57.468 58.000 0.155 0.000 1.149 848 F CB 0.732 39.860 39.000 0.212 0.000 1.190 848 F HN 0.102 nan 8.300 nan 0.000 0.533 849 N N 2.027 120.926 118.700 0.333 0.000 2.690 849 N HA 0.372 5.112 4.740 -0.000 0.000 0.255 849 N C -0.847 174.757 175.510 0.156 0.000 1.195 849 N CA -0.285 52.888 53.050 0.204 0.000 0.790 849 N CB 0.795 39.368 38.487 0.144 0.000 1.216 849 N HN 0.705 nan 8.380 nan 0.000 0.528 850 A N 1.454 124.339 122.820 0.109 0.000 2.561 850 A HA 0.095 4.415 4.320 -0.000 0.000 0.234 850 A C 0.938 178.528 177.584 0.010 0.000 1.055 850 A CA 0.464 52.506 52.037 0.008 0.000 0.756 850 A CB 0.240 19.134 19.000 -0.176 0.000 0.986 850 A HN 0.750 nan 8.150 nan 0.000 0.505 851 D N 0.480 120.889 120.400 0.017 0.000 2.423 851 D HA 0.009 4.649 4.640 -0.000 0.000 0.212 851 D C 0.371 176.634 176.300 -0.061 0.000 1.060 851 D CA 0.469 54.474 54.000 0.008 0.000 0.872 851 D CB -0.056 40.784 40.800 0.067 0.000 1.012 851 D HN 0.529 nan 8.370 nan 0.000 0.503 852 Q N 1.153 120.855 119.800 -0.164 0.000 2.221 852 Q HA 0.391 4.731 4.340 -0.000 0.000 0.242 852 Q C -2.153 173.732 176.000 -0.191 0.000 0.940 852 Q CA -1.628 54.033 55.803 -0.237 0.000 0.896 852 Q CB 1.147 29.592 28.738 -0.489 0.000 1.226 852 Q HN 0.191 nan 8.270 nan 0.000 0.463 853 P HA 0.167 nan 4.420 nan 0.000 0.274 853 P C -1.113 176.096 177.300 -0.152 0.000 1.237 853 P CA -0.277 62.746 63.100 -0.129 0.000 0.793 853 P CB 0.495 32.144 31.700 -0.085 0.000 0.977 854 A N 2.536 125.282 122.820 -0.124 0.000 2.462 854 A HA 0.448 4.768 4.320 -0.000 0.000 0.243 854 A C 0.768 178.312 177.584 -0.067 0.000 1.076 854 A CA -0.440 51.537 52.037 -0.099 0.000 0.773 854 A CB -0.626 18.350 19.000 -0.041 0.000 1.010 854 A HN 0.599 nan 8.150 nan 0.000 0.493 855 I N -0.777 119.758 120.570 -0.058 0.000 3.062 855 I HA 0.627 4.797 4.170 -0.000 0.000 0.316 855 I C 0.406 176.517 176.117 -0.011 0.000 1.041 855 I CA -0.739 60.539 61.300 -0.037 0.000 1.069 855 I CB 1.476 39.450 38.000 -0.044 0.000 1.300 855 I HN 0.406 nan 8.210 nan 0.000 0.518 856 S N 1.096 116.792 115.700 -0.007 0.000 2.580 856 S HA 0.313 4.783 4.470 -0.000 0.000 0.274 856 S C 1.035 175.638 174.600 0.006 0.000 1.329 856 S CA -0.584 57.617 58.200 0.002 0.000 1.036 856 S CB 0.905 64.104 63.200 -0.001 0.000 0.919 856 S HN 0.624 nan 8.310 nan 0.000 0.515 857 L N 2.617 123.847 121.223 0.011 0.000 2.129 857 L HA -0.166 4.174 4.340 -0.000 0.000 0.212 857 L C 2.237 179.109 176.870 0.003 0.000 1.087 857 L CA 1.280 56.127 54.840 0.013 0.000 0.757 857 L CB -0.302 41.766 42.059 0.015 0.000 0.896 857 L HN 0.724 nan 8.230 nan 0.000 0.434 858 E N -0.279 119.921 120.200 -0.001 0.000 2.338 858 E HA -0.220 4.130 4.350 -0.000 0.000 0.197 858 E C 1.468 178.064 176.600 -0.007 0.000 1.007 858 E CA 0.896 57.292 56.400 -0.007 0.000 0.849 858 E CB -0.136 29.559 29.700 -0.008 0.000 0.774 858 E HN 0.653 nan 8.360 nan 0.000 0.506 859 E N 0.851 121.049 120.200 -0.004 0.000 2.442 859 E HA 0.060 4.410 4.350 -0.000 0.000 0.195 859 E C 0.276 176.877 176.600 0.002 0.000 1.030 859 E CA -0.095 56.303 56.400 -0.003 0.000 0.869 859 E CB 0.653 30.350 29.700 -0.005 0.000 0.857 859 E HN -0.053 nan 8.360 nan 0.000 0.505 860 V N 3.165 123.082 119.914 0.005 0.000 2.775 860 V HA -0.026 4.094 4.120 -0.000 0.000 0.299 860 V C 0.537 176.631 176.094 -0.000 0.000 1.062 860 V CA -0.472 61.834 62.300 0.010 0.000 1.063 860 V CB 1.014 32.848 31.823 0.018 0.000 0.994 860 V HN 0.255 nan 8.190 nan 0.000 0.483 861 E N 3.181 123.381 120.200 -0.001 0.000 2.459 861 E HA 0.084 4.434 4.350 -0.000 0.000 0.264 861 E C 0.197 176.785 176.600 -0.020 0.000 1.055 861 E CA -0.106 56.287 56.400 -0.013 0.000 0.957 861 E CB 0.497 30.188 29.700 -0.015 0.000 0.952 861 E HN 0.740 nan 8.360 nan 0.000 0.448 862 S N 1.945 117.626 115.700 -0.032 0.000 2.593 862 S HA 0.038 4.508 4.470 -0.000 0.000 0.269 862 S C 1.308 175.879 174.600 -0.049 0.000 1.334 862 S CA -0.451 57.722 58.200 -0.045 0.000 1.015 862 S CB 1.491 64.660 63.200 -0.051 0.000 0.912 862 S HN 0.500 nan 8.310 nan 0.000 0.541 863 V N 1.786 121.660 119.914 -0.065 0.000 2.317 863 V HA -0.233 3.887 4.120 -0.000 0.000 0.251 863 V C 2.608 178.690 176.094 -0.020 0.000 1.065 863 V CA 2.520 64.790 62.300 -0.049 0.000 1.049 863 V CB -1.397 30.343 31.823 -0.138 0.000 0.651 863 V HN 0.908 nan 8.190 nan 0.000 0.450 864 E N -0.078 120.106 120.200 -0.028 0.000 2.153 864 E HA -0.172 4.178 4.350 -0.000 0.000 0.194 864 E C 2.404 178.980 176.600 -0.041 0.000 0.988 864 E CA 1.433 57.835 56.400 0.003 0.000 0.811 864 E CB -0.307 29.389 29.700 -0.007 0.000 0.746 864 E HN 0.603 nan 8.360 nan 0.000 0.466 865 S N -0.463 115.203 115.700 -0.057 0.000 2.406 865 S HA 0.003 4.473 4.470 -0.000 0.000 0.224 865 S C 1.876 176.408 174.600 -0.114 0.000 1.030 865 S CA 0.329 58.486 58.200 -0.072 0.000 0.958 865 S CB -0.083 63.086 63.200 -0.053 0.000 0.811 865 S HN 0.188 nan 8.310 nan 0.000 0.489 866 I N 1.105 121.595 120.570 -0.133 0.000 2.315 866 I HA -0.078 4.092 4.170 -0.000 0.000 0.248 866 I C 2.315 178.108 176.117 -0.539 0.000 1.117 866 I CA 0.784 61.948 61.300 -0.226 0.000 1.404 866 I CB -0.289 37.625 38.000 -0.144 0.000 1.071 866 I HN 0.197 nan 8.210 nan 0.000 0.419 867 V N 0.771 120.400 119.914 -0.473 0.000 2.626 867 V HA -0.263 3.857 4.120 -0.000 0.000 0.252 867 V C 2.278 178.092 176.094 -0.466 0.000 1.067 867 V CA 1.677 63.597 62.300 -0.634 0.000 1.081 867 V CB -0.472 31.250 31.823 -0.169 0.000 0.686 867 V HN 0.341 nan 8.190 nan 0.000 0.468 868 K N -0.394 119.842 120.400 -0.273 0.000 2.442 868 K HA -0.102 4.218 4.320 -0.000 0.000 0.199 868 K C 2.010 178.523 176.600 -0.146 0.000 1.044 868 K CA 0.986 57.173 56.287 -0.166 0.000 0.941 868 K CB -0.090 32.343 32.500 -0.112 0.000 0.759 868 K HN 0.413 nan 8.250 nan 0.000 0.472 869 R N -0.877 119.499 120.500 -0.205 0.000 2.300 869 R HA 0.128 4.468 4.340 -0.000 0.000 0.199 869 R C -0.141 176.272 176.300 0.189 0.000 0.920 869 R CA -0.104 55.968 56.100 -0.046 0.000 1.046 869 R CB 0.339 30.672 30.300 0.055 0.000 0.984 869 R HN 0.064 nan 8.270 nan 0.000 0.493 870 F N 0.142 120.120 119.950 0.047 0.000 2.396 870 F HA 0.236 4.763 4.527 -0.000 0.000 0.343 870 F C 0.440 176.207 175.800 -0.054 0.000 1.104 870 F CA -1.089 56.937 58.000 0.043 0.000 1.161 870 F CB 1.042 39.874 39.000 -0.281 0.000 1.146 870 F HN -0.104 nan 8.300 nan 0.000 0.522 871 C N 1.757 121.224 119.300 0.279 0.000 2.634 871 C HA 0.268 4.728 4.460 -0.000 0.000 0.313 871 C C 1.263 176.375 174.990 0.204 0.000 1.198 871 C CA -0.496 58.603 59.018 0.136 0.000 1.605 871 C CB 1.744 29.536 27.740 0.086 0.000 2.196 871 C HN 0.937 nan 8.230 nan 0.000 0.486 872 T N 0.536 115.158 114.554 0.113 0.000 3.051 872 T HA 0.337 4.687 4.350 -0.000 0.000 0.255 872 T C 0.744 175.527 174.700 0.138 0.000 1.085 872 T CA 1.571 63.772 62.100 0.169 0.000 1.109 872 T CB -0.415 68.513 68.868 0.101 0.000 0.921 872 T HN 1.508 nan 8.240 nan 0.000 0.488 873 G N 0.079 108.929 108.800 0.083 0.000 3.019 873 G HA2 0.085 4.045 3.960 -0.000 0.000 0.686 873 G HA3 0.085 4.045 3.960 -0.000 0.000 0.686 873 G C 0.074 174.999 174.900 0.042 0.000 1.056 873 G CA -0.619 44.520 45.100 0.066 0.000 0.774 873 G HN 0.554 nan 8.290 nan 0.000 0.583 874 G N 1.288 110.114 108.800 0.043 0.000 2.494 874 G HA2 0.524 4.484 3.960 -0.000 0.000 0.297 874 G HA3 0.524 4.484 3.960 -0.000 0.000 0.297 874 G C 0.497 175.437 174.900 0.068 0.000 0.971 874 G CA -0.140 44.994 45.100 0.055 0.000 1.378 874 G HN 0.766 nan 8.290 nan 0.000 0.456 875 M N 2.921 122.559 119.600 0.064 0.000 2.101 875 M HA 0.239 4.718 4.480 -0.000 0.000 0.340 875 M C 0.759 177.179 176.300 0.200 0.000 1.057 875 M CA -0.571 54.786 55.300 0.095 0.000 0.984 875 M CB 1.895 34.533 32.600 0.063 0.000 1.560 875 M HN 0.503 nan 8.290 nan 0.000 0.435 876 S N 2.564 118.363 115.700 0.165 0.000 2.558 876 S HA 0.014 4.484 4.470 -0.000 0.000 0.287 876 S C 0.914 175.609 174.600 0.158 0.000 1.321 876 S CA -0.505 57.794 58.200 0.164 0.000 1.048 876 S CB 0.596 63.850 63.200 0.089 0.000 0.844 876 S HN 0.812 nan 8.310 nan 0.000 0.512 877 L N 4.131 125.349 121.223 -0.008 0.000 2.079 877 L HA 0.099 4.439 4.340 -0.000 0.000 0.210 877 L C 2.416 179.249 176.870 -0.062 0.000 1.081 877 L CA 2.347 57.072 54.840 -0.190 0.000 0.752 877 L CB -1.175 40.667 42.059 -0.362 0.000 0.896 877 L HN 0.995 nan 8.230 nan 0.000 0.433 878 G N -1.298 107.474 108.800 -0.047 0.000 2.418 878 G HA2 -0.262 3.697 3.960 -0.000 0.000 0.217 878 G HA3 -0.262 3.697 3.960 -0.000 0.000 0.217 878 G C 1.621 176.511 174.900 -0.016 0.000 1.158 878 G CA 0.680 45.755 45.100 -0.042 0.000 0.771 878 G HN 0.583 nan 8.290 nan 0.000 0.545 879 A N -0.031 122.794 122.820 0.009 0.000 1.902 879 A HA 0.239 4.559 4.320 -0.000 0.000 0.217 879 A C 1.337 178.933 177.584 0.020 0.000 1.181 879 A CA 0.590 52.639 52.037 0.020 0.000 0.623 879 A CB -0.271 18.750 19.000 0.036 0.000 0.818 879 A HN 0.325 nan 8.150 nan 0.000 0.443 880 L N 0.641 121.890 121.223 0.043 0.000 2.343 880 L HA 0.313 4.653 4.340 -0.000 0.000 0.275 880 L C 0.779 177.641 176.870 -0.014 0.000 1.056 880 L CA -0.624 54.236 54.840 0.034 0.000 0.804 880 L CB 1.604 43.728 42.059 0.107 0.000 1.203 880 L HN 0.391 nan 8.230 nan 0.000 0.440 881 S N 1.257 116.916 115.700 -0.068 0.000 2.579 881 S HA 0.099 4.569 4.470 -0.000 0.000 0.275 881 S C 1.106 175.619 174.600 -0.146 0.000 1.345 881 S CA -0.534 57.588 58.200 -0.131 0.000 1.031 881 S CB 0.936 64.025 63.200 -0.185 0.000 0.892 881 S HN 0.787 nan 8.310 nan 0.000 0.529 882 R N 1.037 121.426 120.500 -0.186 0.000 2.096 882 R HA -0.143 4.197 4.340 -0.000 0.000 0.235 882 R C 1.318 177.531 176.300 -0.145 0.000 1.127 882 R CA 1.712 57.714 56.100 -0.163 0.000 0.968 882 R CB -0.733 29.406 30.300 -0.268 0.000 0.861 882 R HN 0.662 nan 8.270 nan 0.000 0.440 883 E N 1.613 121.649 120.200 -0.274 0.000 2.070 883 E HA -0.186 4.164 4.350 -0.000 0.000 0.197 883 E C 2.152 178.395 176.600 -0.594 0.000 1.004 883 E CA 2.121 58.298 56.400 -0.370 0.000 0.805 883 E CB -0.357 28.967 29.700 -0.627 0.000 0.744 883 E HN 0.550 nan 8.360 nan 0.000 0.451 884 A N -0.197 122.210 122.820 -0.689 0.000 1.898 884 A HA -0.199 4.121 4.320 -0.000 0.000 0.216 884 A C 2.090 179.638 177.584 -0.060 0.000 1.181 884 A CA 1.929 53.708 52.037 -0.431 0.000 0.620 884 A CB -0.751 18.103 19.000 -0.242 0.000 0.819 884 A HN 0.428 nan 8.150 nan 0.000 0.442 885 H N -0.524 118.480 119.070 -0.111 0.000 2.307 885 H HA -0.024 4.532 4.556 -0.000 0.000 0.303 885 H C 2.024 177.359 175.328 0.012 0.000 1.073 885 H CA 1.700 57.736 56.048 -0.020 0.000 1.338 885 H CB 0.013 29.769 29.762 -0.010 0.000 1.389 885 H HN 0.555 nan 8.280 nan 0.000 0.503 886 E N -0.608 119.722 120.200 0.217 0.000 2.160 886 E HA -0.149 4.201 4.350 -0.000 0.000 0.195 886 E C 2.030 178.695 176.600 0.108 0.000 0.991 886 E CA 1.514 58.013 56.400 0.166 0.000 0.810 886 E CB 0.058 29.846 29.700 0.147 0.000 0.742 886 E HN 0.472 nan 8.360 nan 0.000 0.466 887 T N 1.163 115.776 114.554 0.098 0.000 2.777 887 T HA -0.094 4.256 4.350 -0.000 0.000 0.266 887 T C 1.872 176.637 174.700 0.109 0.000 1.040 887 T CA 0.733 62.913 62.100 0.133 0.000 1.141 887 T CB -0.086 68.929 68.868 0.244 0.000 0.868 887 T HN 0.096 nan 8.240 nan 0.000 0.444 888 L N 0.626 121.897 121.223 0.080 0.000 2.056 888 L HA -0.045 4.295 4.340 -0.000 0.000 0.207 888 L C 3.064 179.960 176.870 0.043 0.000 1.078 888 L CA 1.132 56.012 54.840 0.067 0.000 0.749 888 L CB -0.717 41.355 42.059 0.021 0.000 0.901 888 L HN 0.230 nan 8.230 nan 0.000 0.433 889 A N 0.607 123.440 122.820 0.021 0.000 1.865 889 A HA -0.231 4.089 4.320 -0.000 0.000 0.217 889 A C 2.208 179.811 177.584 0.032 0.000 1.191 889 A CA 1.815 53.867 52.037 0.024 0.000 0.623 889 A CB -0.788 18.245 19.000 0.055 0.000 0.826 889 A HN 0.332 nan 8.150 nan 0.000 0.444 890 I N -0.312 120.285 120.570 0.045 0.000 2.208 890 I HA -0.310 3.860 4.170 -0.000 0.000 0.245 890 I C 2.958 179.091 176.117 0.027 0.000 1.097 890 I CA 1.150 62.472 61.300 0.036 0.000 1.363 890 I CB -0.273 37.752 38.000 0.041 0.000 1.051 890 I HN 0.381 nan 8.210 nan 0.000 0.413 891 A N 0.260 123.105 122.820 0.042 0.000 1.898 891 A HA -0.197 4.123 4.320 -0.000 0.000 0.216 891 A C 2.259 179.850 177.584 0.012 0.000 1.181 891 A CA 1.406 53.465 52.037 0.038 0.000 0.620 891 A CB -0.395 18.654 19.000 0.080 0.000 0.819 891 A HN 0.259 nan 8.150 nan 0.000 0.442 892 M N 0.519 120.124 119.600 0.009 0.000 2.117 892 M HA -0.087 4.392 4.480 -0.000 0.000 0.262 892 M C 1.577 177.850 176.300 -0.045 0.000 1.065 892 M CA 1.120 56.394 55.300 -0.043 0.000 1.114 892 M CB -1.674 30.897 32.600 -0.048 0.000 1.361 892 M HN 0.394 nan 8.290 nan 0.000 0.408 893 N N 0.187 118.874 118.700 -0.022 0.000 2.188 893 N HA -0.085 4.655 4.740 -0.000 0.000 0.184 893 N C 1.783 177.281 175.510 -0.021 0.000 1.018 893 N CA 0.948 53.985 53.050 -0.020 0.000 0.858 893 N CB -0.310 38.173 38.487 -0.007 0.000 0.989 893 N HN 0.420 nan 8.380 nan 0.000 0.426 894 R N 0.567 121.057 120.500 -0.017 0.000 2.096 894 R HA 0.036 4.376 4.340 -0.000 0.000 0.235 894 R C 2.092 178.380 176.300 -0.019 0.000 1.127 894 R CA 0.676 56.768 56.100 -0.014 0.000 0.968 894 R CB -0.324 29.968 30.300 -0.012 0.000 0.861 894 R HN 0.226 nan 8.270 nan 0.000 0.440 895 L N -0.520 120.674 121.223 -0.047 0.000 2.291 895 L HA 0.014 4.354 4.340 -0.000 0.000 0.214 895 L C 1.286 178.130 176.870 -0.044 0.000 1.120 895 L CA 0.903 55.708 54.840 -0.059 0.000 0.799 895 L CB -0.272 41.715 42.059 -0.120 0.000 0.925 895 L HN 0.520 nan 8.230 nan 0.000 0.446 896 G N -0.568 108.205 108.800 -0.046 0.000 2.137 896 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.237 896 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.237 896 G C 0.313 175.173 174.900 -0.067 0.000 1.002 896 G CA 0.260 45.331 45.100 -0.048 0.000 0.702 896 G HN 0.537 nan 8.290 nan 0.000 0.515 897 A N -0.572 122.199 122.820 -0.081 0.000 3.696 897 A HA 0.955 5.275 4.320 -0.000 0.000 0.156 897 A C 0.451 177.993 177.584 -0.069 0.000 1.732 897 A CA 0.157 52.140 52.037 -0.091 0.000 1.004 897 A CB 0.865 19.784 19.000 -0.134 0.000 1.799 897 A HN 0.515 nan 8.150 nan 0.000 0.665 898 K N -0.083 120.277 120.400 -0.065 0.000 2.535 898 K HA 0.466 4.786 4.320 -0.000 0.000 0.251 898 K C -1.148 175.430 176.600 -0.035 0.000 0.942 898 K CA -0.309 55.950 56.287 -0.046 0.000 0.798 898 K CB 2.139 34.616 32.500 -0.039 0.000 1.267 898 K HN 0.801 nan 8.250 nan 0.000 0.434 899 S N 1.241 116.923 115.700 -0.030 0.000 2.747 899 S HA 0.519 4.989 4.470 -0.000 0.000 0.300 899 S C -0.476 174.110 174.600 -0.024 0.000 1.121 899 S CA -0.741 57.444 58.200 -0.025 0.000 0.995 899 S CB 1.521 64.701 63.200 -0.034 0.000 1.113 899 S HN 0.625 nan 8.310 nan 0.000 0.547 900 N N 0.359 119.042 118.700 -0.028 0.000 2.397 900 N HA 0.287 5.027 4.740 -0.000 0.000 0.291 900 N C -1.368 174.159 175.510 0.028 0.000 1.065 900 N CA -0.398 52.652 53.050 -0.000 0.000 0.884 900 N CB 2.199 40.693 38.487 0.012 0.000 1.551 900 N HN 0.814 nan 8.380 nan 0.000 0.487 901 S N 1.681 117.442 115.700 0.101 0.000 2.448 901 S HA 0.536 5.006 4.470 -0.000 0.000 0.279 901 S C 1.168 175.902 174.600 0.223 0.000 1.195 901 S CA -0.198 58.157 58.200 0.259 0.000 1.051 901 S CB 0.545 63.914 63.200 0.281 0.000 0.948 901 S HN 0.648 nan 8.310 nan 0.000 0.493 902 G N 2.580 111.527 108.800 0.245 0.000 2.466 902 G HA2 0.089 4.049 3.960 -0.000 0.000 0.204 902 G HA3 0.089 4.049 3.960 -0.000 0.000 0.204 902 G C 0.651 175.662 174.900 0.184 0.000 1.600 902 G CA 0.140 45.345 45.100 0.175 0.000 1.038 902 G HN 0.931 nan 8.290 nan 0.000 0.515 903 E N -0.595 119.694 120.200 0.149 0.000 2.451 903 E HA 0.277 4.627 4.350 -0.000 0.000 0.194 903 E C 1.258 177.953 176.600 0.160 0.000 1.027 903 E CA 0.275 56.759 56.400 0.141 0.000 0.914 903 E CB 0.379 30.145 29.700 0.111 0.000 1.054 903 E HN 0.404 nan 8.360 nan 0.000 0.461 904 G N 1.021 109.889 108.800 0.113 0.000 3.523 904 G HA2 0.448 4.408 3.960 -0.000 0.000 0.270 904 G HA3 0.448 4.408 3.960 -0.000 0.000 0.270 904 G C 0.712 175.614 174.900 0.003 0.000 1.134 904 G CA -0.021 45.103 45.100 0.040 0.000 0.825 904 G HN 0.496 nan 8.290 nan 0.000 0.534 905 G N 0.019 108.841 108.800 0.036 0.000 2.698 905 G HA2 -0.089 3.871 3.960 -0.000 0.000 0.233 905 G HA3 -0.089 3.871 3.960 -0.000 0.000 0.233 905 G C -0.438 174.578 174.900 0.193 0.000 1.352 905 G CA 0.085 45.178 45.100 -0.012 0.000 0.879 905 G HN 0.852 nan 8.290 nan 0.000 0.567 906 E N -0.852 119.496 120.200 0.247 0.000 2.321 906 E HA 0.401 4.751 4.350 -0.000 0.000 0.281 906 E C -1.241 175.386 176.600 0.046 0.000 0.910 906 E CA -0.743 55.777 56.400 0.200 0.000 0.770 906 E CB 1.450 31.372 29.700 0.371 0.000 1.225 906 E HN 0.531 nan 8.360 nan 0.000 0.417 907 D N 3.470 123.840 120.400 -0.051 0.000 2.434 907 D HA -0.014 4.626 4.640 -0.000 0.000 0.252 907 D C 1.173 177.266 176.300 -0.344 0.000 1.185 907 D CA 0.216 54.142 54.000 -0.125 0.000 0.886 907 D CB 1.523 42.326 40.800 0.004 0.000 1.148 907 D HN 0.326 nan 8.370 nan 0.000 0.483 908 V N 4.692 124.356 119.914 -0.417 0.000 2.469 908 V HA -0.221 3.899 4.120 -0.000 0.000 0.251 908 V C 2.533 178.288 176.094 -0.564 0.000 1.064 908 V CA 1.053 62.896 62.300 -0.761 0.000 1.066 908 V CB -0.466 31.187 31.823 -0.283 0.000 0.667 908 V HN 0.544 nan 8.190 nan 0.000 0.461 909 V N 0.131 119.893 119.914 -0.254 0.000 2.660 909 V HA -0.272 3.848 4.120 -0.000 0.000 0.257 909 V C 2.584 178.608 176.094 -0.116 0.000 1.088 909 V CA 1.990 64.215 62.300 -0.125 0.000 1.106 909 V CB -0.601 31.198 31.823 -0.040 0.000 0.686 909 V HN 0.501 nan 8.190 nan 0.000 0.481 910 R N -1.520 118.867 120.500 -0.189 0.000 2.236 910 R HA -0.039 4.301 4.340 -0.000 0.000 0.208 910 R C 2.006 178.352 176.300 0.077 0.000 1.036 910 R CA 1.149 57.215 56.100 -0.056 0.000 1.001 910 R CB -0.262 30.029 30.300 -0.014 0.000 0.896 910 R HN 0.682 nan 8.270 nan 0.000 0.464 911 Y N 0.568 120.879 120.300 0.020 0.000 2.373 911 Y HA -0.032 4.518 4.550 -0.000 0.000 0.293 911 Y C 1.193 177.091 175.900 -0.004 0.000 1.129 911 Y CA -0.258 57.843 58.100 0.001 0.000 1.226 911 Y CB 0.147 38.606 38.460 -0.001 0.000 1.000 911 Y HN -0.067 nan 8.280 nan 0.000 0.549 912 L N 0.447 121.753 121.223 0.138 0.000 2.399 912 L HA 0.169 4.509 4.340 -0.000 0.000 0.266 912 L C 0.385 177.285 176.870 0.048 0.000 1.114 912 L CA -0.402 54.484 54.840 0.076 0.000 0.804 912 L CB 0.984 43.074 42.059 0.051 0.000 1.146 912 L HN -0.085 nan 8.230 nan 0.000 0.451 913 T N 3.264 117.837 114.554 0.031 0.000 2.884 913 T HA 0.278 4.628 4.350 -0.000 0.000 0.298 913 T C 0.206 174.912 174.700 0.009 0.000 0.998 913 T CA -0.424 61.686 62.100 0.017 0.000 1.124 913 T CB 0.276 69.149 68.868 0.009 0.000 0.931 913 T HN 0.247 nan 8.240 nan 0.000 0.531 914 L N 3.550 124.775 121.223 0.003 0.000 2.455 914 L HA 0.154 4.494 4.340 -0.000 0.000 0.272 914 L C 0.754 177.620 176.870 -0.008 0.000 1.174 914 L CA 0.057 54.893 54.840 -0.006 0.000 0.869 914 L CB 0.381 42.431 42.059 -0.014 0.000 1.130 914 L HN 0.752 nan 8.230 nan 0.000 0.474 915 D N -0.415 119.980 120.400 -0.009 0.000 2.422 915 D HA -0.068 4.572 4.640 -0.000 0.000 0.218 915 D C 0.505 176.797 176.300 -0.013 0.000 1.047 915 D CA 0.343 54.338 54.000 -0.009 0.000 0.885 915 D CB 0.406 41.203 40.800 -0.006 0.000 1.035 915 D HN 0.638 nan 8.370 nan 0.000 0.502 916 D N 0.563 120.952 120.400 -0.017 0.000 2.615 916 D HA 0.030 4.670 4.640 -0.000 0.000 0.236 916 D C -0.260 176.024 176.300 -0.026 0.000 1.233 916 D CA -0.285 53.703 54.000 -0.020 0.000 0.829 916 D CB -0.197 40.591 40.800 -0.021 0.000 1.024 916 D HN -0.092 nan 8.370 nan 0.000 0.490 917 V N 2.535 122.434 119.914 -0.025 0.000 2.479 917 V HA 0.095 4.215 4.120 -0.000 0.000 0.281 917 V C 0.700 176.780 176.094 -0.023 0.000 1.031 917 V CA -0.341 61.942 62.300 -0.029 0.000 1.038 917 V CB 0.330 32.137 31.823 -0.025 0.000 0.981 917 V HN 0.319 nan 8.190 nan 0.000 0.478 918 D N 4.083 124.468 120.400 -0.025 0.000 2.398 918 D HA 0.071 4.711 4.640 -0.000 0.000 0.264 918 D C 1.377 177.668 176.300 -0.015 0.000 1.263 918 D CA 0.061 54.050 54.000 -0.019 0.000 1.037 918 D CB 0.327 41.116 40.800 -0.018 0.000 1.101 918 D HN 0.440 nan 8.370 nan 0.000 0.551 919 S N -1.892 113.800 115.700 -0.012 0.000 2.515 919 S HA -0.095 4.375 4.470 -0.000 0.000 0.231 919 S C 1.131 175.726 174.600 -0.009 0.000 0.987 919 S CA 0.491 58.684 58.200 -0.011 0.000 0.936 919 S CB -0.465 62.729 63.200 -0.009 0.000 0.766 919 S HN 0.577 nan 8.310 nan 0.000 0.528 920 E N 0.510 120.706 120.200 -0.006 0.000 2.481 920 E HA 0.305 4.655 4.350 -0.000 0.000 0.198 920 E C 0.848 177.452 176.600 0.006 0.000 1.027 920 E CA 0.108 56.510 56.400 0.002 0.000 0.900 920 E CB 0.301 30.006 29.700 0.009 0.000 0.993 920 E HN 0.649 nan 8.360 nan 0.000 0.482 921 G N 2.168 110.964 108.800 -0.006 0.000 2.160 921 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.244 921 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.244 921 G C -0.376 174.509 174.900 -0.025 0.000 1.022 921 G CA -0.165 44.930 45.100 -0.008 0.000 0.741 921 G HN 0.132 nan 8.290 nan 0.000 0.508 922 N N 0.085 118.761 118.700 -0.040 0.000 2.362 922 N HA 0.586 5.326 4.740 -0.000 0.000 0.298 922 N C -0.638 174.825 175.510 -0.077 0.000 1.048 922 N CA -0.001 53.000 53.050 -0.082 0.000 0.858 922 N CB 1.864 40.300 38.487 -0.085 0.000 1.218 922 N HN 0.241 nan 8.380 nan 0.000 0.488 923 S N 1.889 117.527 115.700 -0.103 0.000 2.456 923 S HA 0.398 4.867 4.470 -0.000 0.000 0.316 923 S C -1.764 172.775 174.600 -0.102 0.000 1.089 923 S CA -1.696 56.452 58.200 -0.087 0.000 1.101 923 S CB 1.082 64.232 63.200 -0.083 0.000 0.995 923 S HN 0.279 nan 8.310 nan 0.000 0.468 924 P HA -0.033 nan 4.420 nan 0.000 0.229 924 P C 1.032 178.296 177.300 -0.060 0.000 1.150 924 P CA 0.940 64.003 63.100 -0.062 0.000 0.765 924 P CB -0.225 31.453 31.700 -0.038 0.000 0.783 925 T N -0.304 114.212 114.554 -0.064 0.000 2.942 925 T HA 0.062 4.412 4.350 -0.000 0.000 0.265 925 T C 1.102 175.754 174.700 -0.079 0.000 1.062 925 T CA 0.830 62.899 62.100 -0.052 0.000 1.139 925 T CB -0.126 68.718 68.868 -0.039 0.000 0.883 925 T HN 0.129 nan 8.240 nan 0.000 0.468 926 L N 1.780 122.903 121.223 -0.168 0.000 2.783 926 L HA 0.253 4.593 4.340 -0.000 0.000 0.265 926 L C -1.823 174.679 176.870 -0.612 0.000 1.398 926 L CA -1.332 53.283 54.840 -0.374 0.000 0.802 926 L CB 1.500 43.375 42.059 -0.307 0.000 1.126 926 L HN -0.028 nan 8.230 nan 0.000 0.529 927 P HA -0.163 nan 4.420 nan 0.000 0.226 927 P C 1.161 178.278 177.300 -0.306 0.000 1.153 927 P CA 1.237 64.178 63.100 -0.265 0.000 0.777 927 P CB -0.115 31.522 31.700 -0.106 0.000 0.794 928 H N -1.276 117.708 119.070 -0.143 0.000 2.547 928 H HA 0.158 4.714 4.556 -0.000 0.000 0.272 928 H C 0.858 176.087 175.328 -0.164 0.000 0.989 928 H CA -0.027 55.946 56.048 -0.125 0.000 1.214 928 H CB -0.794 28.914 29.762 -0.091 0.000 1.389 928 H HN 0.144 nan 8.280 nan 0.000 0.577 929 L N 1.669 122.641 121.223 -0.419 0.000 2.421 929 L HA 0.307 4.647 4.340 -0.000 0.000 0.263 929 L C -0.253 176.379 176.870 -0.398 0.000 1.122 929 L CA -0.483 54.231 54.840 -0.209 0.000 0.804 929 L CB 0.984 42.944 42.059 -0.166 0.000 1.150 929 L HN 0.181 nan 8.230 nan 0.000 0.457 930 H N -0.787 118.315 119.070 0.054 0.000 2.834 930 H HA 0.515 5.071 4.556 -0.000 0.000 0.369 930 H C 0.405 175.748 175.328 0.025 0.000 1.174 930 H CA -0.242 55.825 56.048 0.031 0.000 1.165 930 H CB 1.786 31.571 29.762 0.039 0.000 1.820 930 H HN 0.719 nan 8.280 nan 0.000 0.558 931 G N 0.903 109.780 108.800 0.129 0.000 2.246 931 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.273 931 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.273 931 G C -0.331 174.587 174.900 0.030 0.000 1.055 931 G CA 0.188 45.325 45.100 0.062 0.000 0.851 931 G HN 0.368 nan 8.290 nan 0.000 0.500 932 L N -1.021 120.208 121.223 0.011 0.000 2.431 932 L HA 0.775 5.115 4.340 -0.000 0.000 0.260 932 L C 0.674 177.539 176.870 -0.008 0.000 1.098 932 L CA -0.788 54.050 54.840 -0.004 0.000 0.800 932 L CB 1.305 43.349 42.059 -0.025 0.000 1.210 932 L HN 0.618 nan 8.230 nan 0.000 0.465 933 Q N -1.182 118.612 119.800 -0.010 0.000 2.482 933 Q HA 0.330 4.670 4.340 -0.000 0.000 0.286 933 Q C -0.489 175.505 176.000 -0.011 0.000 1.007 933 Q CA -0.841 54.955 55.803 -0.011 0.000 0.801 933 Q CB 1.214 29.946 28.738 -0.011 0.000 1.455 933 Q HN 0.253 nan 8.270 nan 0.000 0.398 934 N N 0.772 119.466 118.700 -0.011 0.000 2.149 934 N HA -0.120 4.619 4.740 -0.000 0.000 0.188 934 N C 1.460 176.965 175.510 -0.008 0.000 1.019 934 N CA 1.816 54.860 53.050 -0.010 0.000 0.857 934 N CB -0.322 38.159 38.487 -0.010 0.000 0.997 934 N HN 0.888 nan 8.380 nan 0.000 0.426 935 G N 0.318 109.115 108.800 -0.006 0.000 2.708 935 G HA2 -0.124 3.836 3.960 -0.000 0.000 0.210 935 G HA3 -0.124 3.836 3.960 -0.000 0.000 0.210 935 G C 0.160 175.058 174.900 -0.002 0.000 1.141 935 G CA 0.082 45.180 45.100 -0.005 0.000 0.788 935 G HN 0.215 nan 8.290 nan 0.000 0.531 936 D N -0.201 120.198 120.400 -0.002 0.000 2.372 936 D HA 0.436 5.076 4.640 -0.000 0.000 0.243 936 D C 0.199 176.503 176.300 0.007 0.000 1.121 936 D CA 0.584 54.585 54.000 0.002 0.000 0.898 936 D CB 1.449 42.250 40.800 0.001 0.000 1.202 936 D HN -0.009 nan 8.370 nan 0.000 0.428 937 T N -0.827 113.735 114.554 0.014 0.000 2.933 937 T HA 0.563 4.913 4.350 -0.000 0.000 0.305 937 T C -0.183 174.539 174.700 0.037 0.000 1.092 937 T CA -0.666 61.449 62.100 0.025 0.000 1.008 937 T CB 1.301 70.186 68.868 0.027 0.000 1.102 937 T HN 0.189 nan 8.240 nan 0.000 0.469 938 A N 3.606 126.458 122.820 0.052 0.000 2.337 938 A HA 0.315 4.635 4.320 -0.000 0.000 0.227 938 A C 0.766 178.412 177.584 0.104 0.000 1.259 938 A CA -0.242 51.839 52.037 0.074 0.000 0.870 938 A CB -0.716 18.330 19.000 0.076 0.000 0.927 938 A HN 0.724 nan 8.150 nan 0.000 0.497 939 N N 0.668 119.429 118.700 0.101 0.000 2.452 939 N HA 0.115 4.855 4.740 -0.000 0.000 0.266 939 N C -0.500 175.051 175.510 0.070 0.000 1.175 939 N CA 0.337 53.465 53.050 0.129 0.000 0.945 939 N CB 0.415 38.974 38.487 0.120 0.000 1.063 939 N HN 0.051 nan 8.380 nan 0.000 0.472 940 S N 2.849 118.596 115.700 0.078 0.000 2.430 940 S HA 0.256 4.726 4.470 -0.000 0.000 0.282 940 S C 1.238 175.812 174.600 -0.043 0.000 1.186 940 S CA -0.330 57.887 58.200 0.028 0.000 1.060 940 S CB 0.700 63.940 63.200 0.067 0.000 0.966 940 S HN 0.723 nan 8.310 nan 0.000 0.501 941 A N 4.608 127.400 122.820 -0.047 0.000 1.972 941 A HA 0.060 4.380 4.320 -0.000 0.000 0.219 941 A C 0.727 178.254 177.584 -0.096 0.000 1.169 941 A CA 0.909 52.901 52.037 -0.074 0.000 0.635 941 A CB -0.354 18.611 19.000 -0.059 0.000 0.810 941 A HN 0.778 nan 8.150 nan 0.000 0.446 942 I N 0.923 121.446 120.570 -0.078 0.000 2.315 942 I HA 0.209 4.379 4.170 -0.000 0.000 0.291 942 I C -0.555 175.496 176.117 -0.109 0.000 1.006 942 I CA -0.620 60.629 61.300 -0.086 0.000 1.265 942 I CB 1.323 39.294 38.000 -0.048 0.000 1.387 942 I HN -0.058 nan 8.210 nan 0.000 0.475 943 K N 6.494 126.786 120.400 -0.180 0.000 2.263 943 K HA 0.302 4.622 4.320 -0.000 0.000 0.272 943 K C -0.462 176.116 176.600 -0.036 0.000 1.033 943 K CA -0.503 55.637 56.287 -0.246 0.000 0.884 943 K CB 1.495 33.574 32.500 -0.702 0.000 1.107 943 K HN 0.555 nan 8.250 nan 0.000 0.460 944 Q N 2.443 122.307 119.800 0.106 0.000 2.327 944 Q HA 0.264 4.604 4.340 -0.000 0.000 0.254 944 Q C -0.822 175.291 176.000 0.188 0.000 0.952 944 Q CA -0.354 55.527 55.803 0.130 0.000 0.884 944 Q CB 0.581 29.397 28.738 0.130 0.000 1.224 944 Q HN 0.397 nan 8.270 nan 0.000 0.422 945 I N 3.523 124.168 120.570 0.125 0.000 2.382 945 I HA 0.486 4.656 4.170 -0.000 0.000 0.285 945 I C -0.379 175.841 176.117 0.173 0.000 1.007 945 I CA -0.022 61.351 61.300 0.121 0.000 1.142 945 I CB 1.505 39.561 38.000 0.093 0.000 1.289 945 I HN 0.655 nan 8.210 nan 0.000 0.453 946 A N 3.576 126.425 122.820 0.047 0.000 2.344 946 A HA 0.653 4.973 4.320 -0.000 0.000 0.307 946 A C 1.114 178.427 177.584 -0.452 0.000 1.151 946 A CA 0.093 52.082 52.037 -0.079 0.000 0.842 946 A CB 0.931 19.893 19.000 -0.064 0.000 1.350 946 A HN 0.702 nan 8.150 nan 0.000 0.459 947 S N -0.493 114.749 115.700 -0.763 0.000 2.400 947 S HA -0.101 4.369 4.470 -0.000 0.000 0.232 947 S C 1.716 176.028 174.600 -0.481 0.000 1.025 947 S CA 1.807 59.561 58.200 -0.744 0.000 0.993 947 S CB -0.797 62.061 63.200 -0.570 0.000 0.808 947 S HN 1.394 nan 8.310 nan 0.000 0.478 948 G N 1.306 109.755 108.800 -0.586 0.000 2.421 948 G HA2 -0.036 3.924 3.960 -0.000 0.000 0.217 948 G HA3 -0.036 3.924 3.960 -0.000 0.000 0.217 948 G C 0.572 174.888 174.900 -0.973 0.000 1.143 948 G CA 0.204 44.693 45.100 -1.018 0.000 0.784 948 G HN 0.418 nan 8.290 nan 0.000 0.541 949 R N -1.236 118.879 120.500 -0.642 0.000 3.525 949 R HA -0.180 4.160 4.340 -0.000 0.000 0.276 949 R C 0.997 177.075 176.300 -0.369 0.000 1.116 949 R CA 0.717 56.532 56.100 -0.476 0.000 0.745 949 R CB -2.777 27.167 30.300 -0.593 0.000 1.185 949 R HN 0.541 nan 8.270 nan 0.000 0.454 950 F N -0.288 119.548 119.950 -0.190 0.000 2.095 950 F HA -0.139 4.388 4.527 -0.000 0.000 0.298 950 F C 2.348 178.019 175.800 -0.215 0.000 1.104 950 F CA 1.682 59.579 58.000 -0.171 0.000 1.232 950 F CB 0.089 39.011 39.000 -0.131 0.000 0.987 950 F HN 0.341 nan 8.300 nan 0.000 0.475 951 G N -0.774 107.932 108.800 -0.157 0.000 4.100 951 G HA2 0.305 4.265 3.960 -0.000 0.000 0.294 951 G HA3 0.305 4.265 3.960 -0.000 0.000 0.294 951 G C -0.607 173.905 174.900 -0.647 0.000 1.040 951 G CA -0.128 44.788 45.100 -0.306 0.000 0.829 951 G HN -0.010 nan 8.290 nan 0.000 0.505 952 V N 2.165 121.768 119.914 -0.519 0.000 2.302 952 V HA 0.216 4.336 4.120 -0.000 0.000 0.244 952 V C 0.688 176.732 176.094 -0.083 0.000 1.160 952 V CA 0.328 62.361 62.300 -0.444 0.000 1.127 952 V CB -0.184 31.526 31.823 -0.188 0.000 1.253 952 V HN 0.184 nan 8.190 nan 0.000 0.496 953 T N 6.606 121.122 114.554 -0.064 0.000 2.934 953 T HA 0.338 4.688 4.350 -0.000 0.000 0.283 953 T C -1.417 173.345 174.700 0.104 0.000 1.005 953 T CA -1.295 60.864 62.100 0.099 0.000 1.041 953 T CB 2.078 71.005 68.868 0.098 0.000 1.042 953 T HN 0.303 nan 8.240 nan 0.000 0.505 954 P HA -0.080 nan 4.420 nan 0.000 0.214 954 P C 1.355 178.641 177.300 -0.024 0.000 1.163 954 P CA 0.940 64.025 63.100 -0.025 0.000 0.883 954 P CB 0.208 31.946 31.700 0.064 0.000 0.788 955 E N -1.348 118.883 120.200 0.052 0.000 2.070 955 E HA -0.273 4.077 4.350 -0.000 0.000 0.197 955 E C 2.053 178.637 176.600 -0.028 0.000 1.004 955 E CA 1.088 57.514 56.400 0.042 0.000 0.805 955 E CB -0.672 29.127 29.700 0.165 0.000 0.744 955 E HN 0.178 nan 8.360 nan 0.000 0.451 956 Y N 0.931 121.215 120.300 -0.028 0.000 2.114 956 Y HA -0.264 4.286 4.550 -0.000 0.000 0.282 956 Y C 1.921 177.708 175.900 -0.188 0.000 1.165 956 Y CA 2.005 60.074 58.100 -0.051 0.000 1.148 956 Y CB -0.193 38.298 38.460 0.051 0.000 0.972 956 Y HN 0.052 nan 8.280 nan 0.000 0.504 957 L N -0.742 120.445 121.223 -0.061 0.000 2.156 957 L HA -0.199 4.141 4.340 -0.000 0.000 0.208 957 L C 2.195 178.907 176.870 -0.262 0.000 1.095 957 L CA 0.598 55.311 54.840 -0.212 0.000 0.770 957 L CB -0.415 41.477 42.059 -0.278 0.000 0.914 957 L HN 0.307 nan 8.230 nan 0.000 0.439 958 M N -0.469 118.990 119.600 -0.236 0.000 2.394 958 M HA -0.082 4.398 4.480 -0.000 0.000 0.264 958 M C 2.517 178.642 176.300 -0.291 0.000 1.073 958 M CA 1.374 56.538 55.300 -0.227 0.000 1.111 958 M CB -1.266 31.230 32.600 -0.173 0.000 1.401 958 M HN 0.347 nan 8.290 nan 0.000 0.448 959 S N -0.685 114.752 115.700 -0.439 0.000 2.489 959 S HA 0.113 4.582 4.470 -0.000 0.000 0.228 959 S C 1.240 175.603 174.600 -0.395 0.000 0.995 959 S CA 0.181 58.045 58.200 -0.560 0.000 0.934 959 S CB -0.798 61.692 63.200 -1.183 0.000 0.771 959 S HN 0.407 nan 8.310 nan 0.000 0.522 960 G N 0.869 109.456 108.800 -0.355 0.000 2.432 960 G HA2 0.417 4.377 3.960 -0.000 0.000 0.257 960 G HA3 0.417 4.377 3.960 -0.000 0.000 0.257 960 G C 0.306 175.094 174.900 -0.187 0.000 1.238 960 G CA -0.676 44.266 45.100 -0.264 0.000 0.838 960 G HN 0.166 nan 8.290 nan 0.000 0.547 961 K N -0.233 120.080 120.400 -0.145 0.000 2.228 961 K HA 0.065 4.385 4.320 -0.000 0.000 0.202 961 K C 1.174 177.712 176.600 -0.102 0.000 1.051 961 K CA 1.125 57.345 56.287 -0.112 0.000 0.960 961 K CB 0.170 32.615 32.500 -0.091 0.000 0.743 961 K HN 0.621 nan 8.250 nan 0.000 0.458 962 Q N -0.570 119.164 119.800 -0.111 0.000 2.418 962 Q HA 0.439 4.779 4.340 -0.000 0.000 0.282 962 Q C -1.286 174.648 176.000 -0.110 0.000 1.044 962 Q CA -0.665 55.081 55.803 -0.095 0.000 0.813 962 Q CB 2.416 31.108 28.738 -0.077 0.000 1.428 962 Q HN -0.052 nan 8.270 nan 0.000 0.402 963 L N 1.426 122.591 121.223 -0.097 0.000 2.376 963 L HA 0.502 4.842 4.340 -0.000 0.000 0.275 963 L C -0.616 176.211 176.870 -0.071 0.000 0.987 963 L CA -0.532 54.249 54.840 -0.098 0.000 0.828 963 L CB 2.040 44.027 42.059 -0.120 0.000 1.249 963 L HN 0.635 nan 8.230 nan 0.000 0.409 964 E N 4.058 124.232 120.200 -0.043 0.000 2.151 964 E HA 0.478 4.828 4.350 -0.000 0.000 0.275 964 E C -1.139 175.458 176.600 -0.005 0.000 0.936 964 E CA -0.641 55.746 56.400 -0.023 0.000 0.777 964 E CB 1.540 31.237 29.700 -0.006 0.000 1.108 964 E HN 0.502 nan 8.360 nan 0.000 0.401 965 I N 5.106 125.660 120.570 -0.027 0.000 2.304 965 I HA 0.143 4.313 4.170 -0.000 0.000 0.291 965 I C 0.329 176.445 176.117 -0.001 0.000 1.018 965 I CA -0.420 60.857 61.300 -0.039 0.000 1.260 965 I CB 0.927 38.846 38.000 -0.135 0.000 1.390 965 I HN 0.374 nan 8.210 nan 0.000 0.475 966 K N 7.216 127.675 120.400 0.099 0.000 2.262 966 K HA 0.153 4.473 4.320 -0.000 0.000 0.288 966 K C 0.637 177.351 176.600 0.189 0.000 1.090 966 K CA -0.502 55.859 56.287 0.125 0.000 0.918 966 K CB 0.712 33.283 32.500 0.118 0.000 1.139 966 K HN 0.585 nan 8.250 nan 0.000 0.462 967 M N 2.181 121.832 119.600 0.084 0.000 2.160 967 M HA 0.080 4.560 4.480 -0.000 0.000 0.264 967 M C 0.719 177.073 176.300 0.090 0.000 1.073 967 M CA 0.986 56.343 55.300 0.095 0.000 1.142 967 M CB -0.847 31.786 32.600 0.056 0.000 1.358 967 M HN 0.650 nan 8.290 nan 0.000 0.422 968 A N 0.090 122.939 122.820 0.048 0.000 2.601 968 A HA 0.629 4.949 4.320 -0.000 0.000 0.291 968 A C -1.313 176.254 177.584 -0.027 0.000 1.075 968 A CA -0.790 51.234 52.037 -0.022 0.000 0.671 968 A CB 1.252 20.195 19.000 -0.094 0.000 1.277 968 A HN 0.344 nan 8.150 nan 0.000 0.417 969 Q N 0.243 120.002 119.800 -0.068 0.000 2.394 969 Q HA 0.608 4.948 4.340 -0.000 0.000 0.273 969 Q C 0.658 176.619 176.000 -0.066 0.000 1.089 969 Q CA -0.433 55.347 55.803 -0.038 0.000 0.812 969 Q CB 1.835 30.564 28.738 -0.016 0.000 1.353 969 Q HN 1.132 nan 8.270 nan 0.000 0.438 970 G N 1.683 110.473 108.800 -0.017 0.000 2.469 970 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.220 970 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.220 970 G C 1.231 176.125 174.900 -0.011 0.000 1.136 970 G CA 1.023 46.126 45.100 0.006 0.000 0.759 970 G HN 0.820 nan 8.290 nan 0.000 0.562 971 A N 0.715 123.524 122.820 -0.018 0.000 1.933 971 A HA 0.078 4.398 4.320 -0.000 0.000 0.218 971 A C 1.681 179.248 177.584 -0.029 0.000 1.175 971 A CA 1.867 53.895 52.037 -0.014 0.000 0.628 971 A CB -0.160 18.835 19.000 -0.008 0.000 0.814 971 A HN 0.574 nan 8.150 nan 0.000 0.444 972 K N -2.073 118.287 120.400 -0.066 0.000 3.262 972 K HA 0.269 4.589 4.320 -0.000 0.000 0.166 972 K C -2.642 173.854 176.600 -0.173 0.000 1.091 972 K CA -1.154 55.083 56.287 -0.084 0.000 0.798 972 K CB 1.057 33.532 32.500 -0.042 0.000 0.953 972 K HN 0.033 nan 8.250 nan 0.000 0.588 973 P HA -0.189 nan 4.420 nan 0.000 0.215 973 P C 1.224 178.242 177.300 -0.469 0.000 1.157 973 P CA 1.799 64.490 63.100 -0.682 0.000 0.874 973 P CB 0.010 30.686 31.700 -1.706 0.000 0.790 974 G N -0.579 108.064 108.800 -0.262 0.000 3.210 974 G HA2 0.010 3.970 3.960 -0.000 0.000 0.220 974 G HA3 0.010 3.970 3.960 -0.000 0.000 0.220 974 G C 0.242 175.134 174.900 -0.015 0.000 1.200 974 G CA -0.027 45.056 45.100 -0.029 0.000 0.834 974 G HN 0.341 nan 8.290 nan 0.000 0.524 975 E N -1.210 118.959 120.200 -0.052 0.000 2.393 975 E HA 0.577 4.927 4.350 -0.000 0.000 0.265 975 E C -0.015 176.560 176.600 -0.041 0.000 0.941 975 E CA -1.172 55.211 56.400 -0.029 0.000 0.801 975 E CB 1.404 31.093 29.700 -0.018 0.000 1.313 975 E HN 0.073 nan 8.360 nan 0.000 0.435 976 G N -0.520 108.258 108.800 -0.037 0.000 2.477 976 G HA2 0.477 4.437 3.960 -0.000 0.000 0.304 976 G HA3 0.477 4.437 3.960 -0.000 0.000 0.304 976 G C 0.213 175.101 174.900 -0.021 0.000 1.175 976 G CA -0.224 44.844 45.100 -0.054 0.000 0.907 976 G HN 0.471 nan 8.290 nan 0.000 0.509 977 G N -1.360 107.432 108.800 -0.012 0.000 2.902 977 G HA2 0.364 4.324 3.960 -0.000 0.000 0.240 977 G HA3 0.364 4.324 3.960 -0.000 0.000 0.240 977 G C -0.030 174.898 174.900 0.047 0.000 1.244 977 G CA 0.166 45.283 45.100 0.028 0.000 0.862 977 G HN 0.711 nan 8.290 nan 0.000 0.603 978 Q N -0.847 118.983 119.800 0.051 0.000 2.418 978 Q HA 0.404 4.744 4.340 -0.000 0.000 0.240 978 Q C -2.025 173.997 176.000 0.036 0.000 0.859 978 Q CA -0.700 55.131 55.803 0.046 0.000 0.916 978 Q CB 1.366 30.125 28.738 0.036 0.000 1.448 978 Q HN 0.467 nan 8.270 nan 0.000 0.439 979 L N 6.302 127.538 121.223 0.022 0.000 2.372 979 L HA 0.646 4.986 4.340 -0.000 0.000 0.273 979 L C -2.547 174.322 176.870 -0.002 0.000 0.989 979 L CA -1.707 53.132 54.840 -0.002 0.000 0.841 979 L CB 1.515 43.545 42.059 -0.047 0.000 1.225 979 L HN 0.418 nan 8.230 nan 0.000 0.414 980 P HA 0.119 nan 4.420 nan 0.000 0.269 980 P C 0.708 178.007 177.300 -0.001 0.000 1.209 980 P CA 0.041 63.153 63.100 0.021 0.000 0.776 980 P CB 0.865 32.589 31.700 0.040 0.000 0.876 981 G N 2.713 111.514 108.800 0.001 0.000 2.470 981 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.220 981 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.220 981 G C 1.399 176.291 174.900 -0.013 0.000 1.121 981 G CA 0.352 45.446 45.100 -0.010 0.000 0.766 981 G HN 0.477 nan 8.290 nan 0.000 0.553 982 K N 0.364 120.760 120.400 -0.007 0.000 2.103 982 K HA -0.102 4.218 4.320 -0.000 0.000 0.207 982 K C 2.167 178.755 176.600 -0.019 0.000 1.048 982 K CA 1.328 57.608 56.287 -0.011 0.000 0.930 982 K CB -0.086 32.407 32.500 -0.012 0.000 0.716 982 K HN 0.269 nan 8.250 nan 0.000 0.444 983 K N 0.489 120.876 120.400 -0.022 0.000 2.444 983 K HA 0.066 4.386 4.320 -0.000 0.000 0.193 983 K C 0.087 176.664 176.600 -0.038 0.000 1.024 983 K CA 0.128 56.398 56.287 -0.028 0.000 1.077 983 K CB 0.692 33.176 32.500 -0.026 0.000 0.833 983 K HN -0.122 nan 8.250 nan 0.000 0.517 984 V N 3.387 123.273 119.914 -0.046 0.000 2.071 984 V HA -0.015 4.105 4.120 -0.000 0.000 0.254 984 V C 0.549 176.616 176.094 -0.045 0.000 1.456 984 V CA -0.396 61.865 62.300 -0.065 0.000 1.383 984 V CB -0.926 30.844 31.823 -0.088 0.000 1.433 984 V HN 0.264 nan 8.190 nan 0.000 0.499 985 S N 1.903 117.587 115.700 -0.025 0.000 2.606 985 S HA 0.152 4.622 4.470 -0.000 0.000 0.257 985 S C 1.194 175.793 174.600 -0.002 0.000 1.327 985 S CA -0.372 57.825 58.200 -0.005 0.000 0.984 985 S CB 0.875 64.084 63.200 0.014 0.000 0.941 985 S HN 0.584 nan 8.310 nan 0.000 0.576 986 E N 0.127 120.335 120.200 0.012 0.000 2.070 986 E HA -0.226 4.124 4.350 -0.000 0.000 0.197 986 E C 1.718 178.329 176.600 0.018 0.000 1.004 986 E CA 1.858 58.265 56.400 0.011 0.000 0.805 986 E CB -0.487 29.227 29.700 0.023 0.000 0.744 986 E HN 0.862 nan 8.360 nan 0.000 0.451 987 Y N 1.303 121.562 120.300 -0.068 0.000 2.128 987 Y HA -0.246 4.304 4.550 -0.000 0.000 0.284 987 Y C 2.267 178.112 175.900 -0.091 0.000 1.154 987 Y CA 1.444 59.497 58.100 -0.079 0.000 1.149 987 Y CB -0.059 38.345 38.460 -0.094 0.000 0.976 987 Y HN -0.038 nan 8.280 nan 0.000 0.505 988 I N 0.526 121.052 120.570 -0.072 0.000 2.286 988 I HA -0.277 3.893 4.170 -0.000 0.000 0.248 988 I C 2.704 178.689 176.117 -0.219 0.000 1.115 988 I CA 1.427 62.621 61.300 -0.177 0.000 1.392 988 I CB -2.118 35.823 38.000 -0.098 0.000 1.065 988 I HN 0.386 nan 8.210 nan 0.000 0.418 989 A N 0.937 123.663 122.820 -0.157 0.000 1.883 989 A HA -0.256 4.064 4.320 -0.000 0.000 0.217 989 A C 2.401 179.895 177.584 -0.149 0.000 1.186 989 A CA 1.988 53.941 52.037 -0.141 0.000 0.624 989 A CB -0.691 18.257 19.000 -0.086 0.000 0.822 989 A HN 0.386 nan 8.150 nan 0.000 0.444 990 M N -0.805 118.693 119.600 -0.170 0.000 2.086 990 M HA -0.124 4.356 4.480 -0.000 0.000 0.261 990 M C 1.880 178.059 176.300 -0.201 0.000 1.067 990 M CA 1.848 57.047 55.300 -0.169 0.000 1.116 990 M CB -0.804 31.690 32.600 -0.177 0.000 1.348 990 M HN 0.298 nan 8.290 nan 0.000 0.407 991 L N 0.696 121.738 121.223 -0.303 0.000 2.017 991 L HA -0.148 4.192 4.340 -0.000 0.000 0.208 991 L C 2.557 179.329 176.870 -0.163 0.000 1.073 991 L CA 1.848 56.530 54.840 -0.264 0.000 0.745 991 L CB -1.080 40.767 42.059 -0.354 0.000 0.894 991 L HN 0.371 nan 8.230 nan 0.000 0.432 992 R N -0.701 119.697 120.500 -0.170 0.000 2.275 992 R HA 0.066 4.406 4.340 -0.000 0.000 0.199 992 R C 0.067 176.354 176.300 -0.022 0.000 0.989 992 R CA -0.118 55.919 56.100 -0.105 0.000 1.016 992 R CB -0.000 30.091 30.300 -0.348 0.000 0.918 992 R HN 0.136 nan 8.270 nan 0.000 0.473 993 R N 0.879 121.343 120.500 -0.059 0.000 3.209 993 R HA -0.157 4.183 4.340 -0.000 0.000 0.252 993 R C -0.573 175.727 176.300 -0.000 0.000 0.958 993 R CA 0.773 56.858 56.100 -0.024 0.000 0.651 993 R CB -1.755 28.544 30.300 -0.002 0.000 1.142 993 R HN 0.497 nan 8.270 nan 0.000 0.441 994 S N -1.797 113.881 115.700 -0.037 0.000 2.819 994 S HA 0.681 5.151 4.470 -0.000 0.000 0.299 994 S C -1.027 173.550 174.600 -0.039 0.000 1.192 994 S CA -1.300 56.885 58.200 -0.024 0.000 0.847 994 S CB 1.780 64.947 63.200 -0.054 0.000 1.224 994 S HN 0.017 nan 8.310 nan 0.000 0.537 995 K N 1.405 121.787 120.400 -0.029 0.000 2.211 995 K HA 0.423 4.743 4.320 -0.000 0.000 0.275 995 K C -2.027 174.553 176.600 -0.034 0.000 1.024 995 K CA -2.316 53.959 56.287 -0.021 0.000 0.887 995 K CB 1.015 33.514 32.500 -0.002 0.000 1.084 995 K HN 0.312 nan 8.250 nan 0.000 0.463 996 P HA -0.234 nan 4.420 nan 0.000 0.214 996 P C 1.029 178.313 177.300 -0.027 0.000 1.164 996 P CA 1.677 64.759 63.100 -0.030 0.000 0.942 996 P CB 0.194 31.884 31.700 -0.017 0.000 0.791 997 G N -1.664 107.126 108.800 -0.016 0.000 3.026 997 G HA2 0.135 4.095 3.960 -0.000 0.000 0.208 997 G HA3 0.135 4.095 3.960 -0.000 0.000 0.208 997 G C 0.020 174.912 174.900 -0.012 0.000 1.169 997 G CA -0.011 45.081 45.100 -0.013 0.000 0.788 997 G HN 0.188 nan 8.290 nan 0.000 0.533 998 V N 1.153 121.056 119.914 -0.019 0.000 2.394 998 V HA 0.246 4.366 4.120 -0.000 0.000 0.282 998 V C 0.516 176.601 176.094 -0.016 0.000 1.031 998 V CA -0.610 61.685 62.300 -0.009 0.000 0.881 998 V CB 1.370 33.193 31.823 0.000 0.000 0.982 998 V HN 0.075 nan 8.190 nan 0.000 0.451 999 T N 7.042 121.598 114.554 0.003 0.000 2.867 999 T HA 0.232 4.582 4.350 -0.000 0.000 0.297 999 T C 0.046 174.759 174.700 0.021 0.000 0.989 999 T CA 0.319 62.424 62.100 0.009 0.000 1.159 999 T CB -0.215 68.670 68.868 0.028 0.000 0.928 999 T HN 0.361 nan 8.240 nan 0.000 0.538 1000 L N 5.578 126.799 121.223 -0.003 0.000 2.270 1000 L HA 0.454 4.794 4.340 -0.000 0.000 0.286 1000 L C 0.098 177.029 176.870 0.100 0.000 1.059 1000 L CA -0.338 54.528 54.840 0.044 0.000 0.839 1000 L CB 0.323 42.311 42.059 -0.117 0.000 1.221 1000 L HN 0.535 nan 8.230 nan 0.000 0.431 1001 I N 2.340 122.990 120.570 0.134 0.000 2.306 1001 I HA 0.167 4.337 4.170 -0.000 0.000 0.288 1001 I C 0.467 176.652 176.117 0.113 0.000 1.036 1001 I CA -0.063 61.307 61.300 0.116 0.000 1.221 1001 I CB 1.197 39.260 38.000 0.105 0.000 1.385 1001 I HN 0.543 nan 8.210 nan 0.000 0.472 1002 S N 8.496 124.239 115.700 0.071 0.000 2.560 1002 S HA 0.138 4.608 4.470 -0.000 0.000 0.284 1002 S C -2.110 172.375 174.600 -0.192 0.000 1.327 1002 S CA -0.806 57.345 58.200 -0.082 0.000 1.055 1002 S CB 0.199 63.354 63.200 -0.075 0.000 0.868 1002 S HN 0.422 nan 8.310 nan 0.000 0.506 1003 P HA 0.114 nan 4.420 nan 0.000 0.264 1003 P C -2.183 174.980 177.300 -0.229 0.000 1.193 1003 P CA -1.289 61.582 63.100 -0.382 0.000 0.763 1003 P CB 0.028 31.367 31.700 -0.601 0.000 0.810 1004 P HA -0.080 nan 4.420 nan 0.000 0.215 1004 P C -1.710 175.525 177.300 -0.109 0.000 1.157 1004 P CA 2.166 65.216 63.100 -0.084 0.000 0.874 1004 P CB -1.751 29.935 31.700 -0.024 0.000 0.790 1005 P HA 0.067 nan 4.420 nan 0.000 0.281 1005 P C -0.414 176.754 177.300 -0.221 0.000 1.264 1005 P CA -0.111 62.923 63.100 -0.110 0.000 0.824 1005 P CB 0.614 32.272 31.700 -0.071 0.000 1.092 1006 H N 1.030 120.021 119.070 -0.132 0.000 2.848 1006 H HA 0.048 4.604 4.556 -0.000 0.000 0.317 1006 H C 1.145 176.322 175.328 -0.250 0.000 1.046 1006 H CA 0.153 56.139 56.048 -0.103 0.000 1.470 1006 H CB 0.473 30.219 29.762 -0.026 0.000 1.483 1006 H HN 0.527 nan 8.280 nan 0.000 0.548 1007 H N 1.975 120.929 119.070 -0.194 0.000 2.562 1007 H HA -0.071 4.485 4.556 -0.000 0.000 0.274 1007 H C 0.615 175.549 175.328 -0.658 0.000 1.038 1007 H CA 0.556 56.329 56.048 -0.459 0.000 1.161 1007 H CB 0.215 29.595 29.762 -0.636 0.000 1.318 1007 H HN 0.651 nan 8.280 nan 0.000 0.617 1008 D N -0.345 119.820 120.400 -0.391 0.000 2.473 1008 D HA 0.158 4.798 4.640 -0.000 0.000 0.230 1008 D C 0.061 176.135 176.300 -0.375 0.000 1.097 1008 D CA 0.196 53.947 54.000 -0.415 0.000 0.861 1008 D CB 1.076 41.859 40.800 -0.029 0.000 1.114 1008 D HN 0.157 nan 8.370 nan 0.000 0.500 1009 I N 1.250 121.647 120.570 -0.287 0.000 2.583 1009 I HA 0.171 4.341 4.170 -0.000 0.000 0.276 1009 I C -0.433 175.712 176.117 0.047 0.000 1.089 1009 I CA -0.451 60.775 61.300 -0.123 0.000 1.103 1009 I CB 1.473 39.417 38.000 -0.094 0.000 1.209 1009 I HN -0.042 nan 8.210 nan 0.000 0.484 1010 Y N 2.731 123.055 120.300 0.039 0.000 2.444 1010 Y HA 0.223 4.773 4.550 -0.000 0.000 0.249 1010 Y C 1.155 177.061 175.900 0.010 0.000 1.134 1010 Y CA -0.495 57.627 58.100 0.036 0.000 1.261 1010 Y CB 0.975 39.474 38.460 0.066 0.000 1.143 1010 Y HN 0.603 nan 8.280 nan 0.000 0.523 1011 S N -1.474 114.297 115.700 0.118 0.000 2.643 1011 S HA 0.182 4.652 4.470 -0.000 0.000 0.270 1011 S C 0.012 174.557 174.600 -0.093 0.000 1.166 1011 S CA -0.781 57.423 58.200 0.007 0.000 0.815 1011 S CB 1.070 64.267 63.200 -0.006 0.000 1.139 1011 S HN 0.025 nan 8.310 nan 0.000 0.472 1012 I N 1.898 122.340 120.570 -0.214 0.000 2.361 1012 I HA -0.105 4.065 4.170 -0.000 0.000 0.251 1012 I C 2.435 178.304 176.117 -0.414 0.000 1.133 1012 I CA 2.168 63.244 61.300 -0.374 0.000 1.413 1012 I CB -0.608 37.010 38.000 -0.636 0.000 1.073 1012 I HN 0.854 nan 8.210 nan 0.000 0.424 1013 E N -0.381 119.605 120.200 -0.356 0.000 2.274 1013 E HA -0.211 4.139 4.350 -0.000 0.000 0.194 1013 E C 1.193 177.767 176.600 -0.044 0.000 0.996 1013 E CA 1.257 57.547 56.400 -0.184 0.000 0.840 1013 E CB -0.605 29.040 29.700 -0.091 0.000 0.772 1013 E HN 0.478 nan 8.360 nan 0.000 0.491 1014 D N 1.439 121.818 120.400 -0.034 0.000 2.194 1014 D HA -0.056 4.584 4.640 -0.000 0.000 0.204 1014 D C 2.051 178.325 176.300 -0.043 0.000 0.964 1014 D CA 0.351 54.355 54.000 0.007 0.000 0.846 1014 D CB -0.179 40.627 40.800 0.012 0.000 0.962 1014 D HN 0.151 nan 8.370 nan 0.000 0.490 1015 L N 0.815 121.995 121.223 -0.072 0.000 2.093 1015 L HA -0.085 4.255 4.340 -0.000 0.000 0.208 1015 L C 2.077 178.930 176.870 -0.028 0.000 1.085 1015 L CA 1.265 56.057 54.840 -0.079 0.000 0.755 1015 L CB -0.441 41.564 42.059 -0.090 0.000 0.904 1015 L HN -0.077 nan 8.230 nan 0.000 0.435 1016 A N -0.090 122.731 122.820 0.003 0.000 1.883 1016 A HA -0.323 3.997 4.320 -0.000 0.000 0.217 1016 A C 2.123 179.776 177.584 0.115 0.000 1.186 1016 A CA 1.956 54.048 52.037 0.091 0.000 0.624 1016 A CB -0.680 18.416 19.000 0.161 0.000 0.822 1016 A HN 0.578 nan 8.150 nan 0.000 0.444 1017 Q N -0.515 119.333 119.800 0.080 0.000 2.096 1017 Q HA -0.172 4.168 4.340 -0.000 0.000 0.204 1017 Q C 1.847 177.906 176.000 0.099 0.000 0.982 1017 Q CA 2.026 57.879 55.803 0.084 0.000 0.850 1017 Q CB -0.546 28.248 28.738 0.092 0.000 0.901 1017 Q HN 0.551 nan 8.270 nan 0.000 0.422 1018 L N -0.330 120.902 121.223 0.015 0.000 2.056 1018 L HA -0.035 4.305 4.340 -0.000 0.000 0.207 1018 L C 2.040 178.912 176.870 0.002 0.000 1.078 1018 L CA 1.549 56.384 54.840 -0.008 0.000 0.749 1018 L CB -0.416 41.590 42.059 -0.087 0.000 0.901 1018 L HN 0.390 nan 8.230 nan 0.000 0.433 1019 I N -1.518 119.045 120.570 -0.012 0.000 2.208 1019 I HA -0.359 3.811 4.170 -0.000 0.000 0.245 1019 I C 2.381 178.462 176.117 -0.060 0.000 1.097 1019 I CA 1.813 63.054 61.300 -0.098 0.000 1.363 1019 I CB -0.513 37.459 38.000 -0.046 0.000 1.051 1019 I HN 0.339 nan 8.210 nan 0.000 0.413 1020 Y N 2.199 122.501 120.300 0.003 0.000 2.128 1020 Y HA -0.355 4.195 4.550 -0.000 0.000 0.284 1020 Y C 2.287 178.222 175.900 0.058 0.000 1.154 1020 Y CA 2.026 60.175 58.100 0.081 0.000 1.149 1020 Y CB -0.189 38.330 38.460 0.097 0.000 0.976 1020 Y HN 0.246 nan 8.280 nan 0.000 0.505 1021 D N 0.202 120.775 120.400 0.287 0.000 2.182 1021 D HA -0.211 4.429 4.640 -0.000 0.000 0.201 1021 D C 2.192 178.532 176.300 0.067 0.000 0.986 1021 D CA 1.610 55.733 54.000 0.205 0.000 0.847 1021 D CB -0.428 40.508 40.800 0.226 0.000 0.942 1021 D HN 0.434 nan 8.370 nan 0.000 0.467 1022 L N 0.109 121.312 121.223 -0.032 0.000 2.068 1022 L HA -0.099 4.241 4.340 -0.000 0.000 0.204 1022 L C 2.376 179.180 176.870 -0.110 0.000 1.076 1022 L CA 0.818 55.578 54.840 -0.133 0.000 0.753 1022 L CB -0.470 41.469 42.059 -0.200 0.000 0.910 1022 L HN 0.081 nan 8.230 nan 0.000 0.439 1023 H N -0.423 118.600 119.070 -0.079 0.000 2.489 1023 H HA -0.200 4.356 4.556 -0.000 0.000 0.295 1023 H C 2.160 177.387 175.328 -0.168 0.000 1.082 1023 H CA 1.295 57.269 56.048 -0.123 0.000 1.295 1023 H CB -0.030 29.650 29.762 -0.136 0.000 1.380 1023 H HN 0.346 nan 8.280 nan 0.000 0.548 1024 Q N 0.405 120.171 119.800 -0.057 0.000 2.049 1024 Q HA -0.007 4.333 4.340 -0.000 0.000 0.198 1024 Q C 2.437 178.405 176.000 -0.053 0.000 0.971 1024 Q CA 0.938 56.690 55.803 -0.086 0.000 0.833 1024 Q CB -0.154 28.556 28.738 -0.046 0.000 0.896 1024 Q HN 0.479 nan 8.270 nan 0.000 0.434 1025 I N -0.269 120.269 120.570 -0.053 0.000 2.353 1025 I HA -0.104 4.066 4.170 -0.000 0.000 0.248 1025 I C 0.155 176.212 176.117 -0.099 0.000 1.119 1025 I CA 0.782 62.032 61.300 -0.082 0.000 1.417 1025 I CB 0.364 38.266 38.000 -0.164 0.000 1.078 1025 I HN 0.168 nan 8.210 nan 0.000 0.421 1026 N N 0.587 119.229 118.700 -0.096 0.000 2.750 1026 N HA 0.220 4.960 4.740 -0.000 0.000 0.253 1026 N C -2.036 173.445 175.510 -0.047 0.000 1.408 1026 N CA -1.779 51.216 53.050 -0.092 0.000 0.780 1026 N CB 0.860 39.272 38.487 -0.125 0.000 1.191 1026 N HN 0.060 nan 8.380 nan 0.000 0.511 1027 P HA -0.087 nan 4.420 nan 0.000 0.225 1027 P C 0.707 177.975 177.300 -0.054 0.000 1.148 1027 P CA 0.883 63.956 63.100 -0.045 0.000 0.779 1027 P CB 0.689 32.346 31.700 -0.073 0.000 0.780 1028 E N -0.338 119.827 120.200 -0.059 0.000 2.489 1028 E HA 0.153 4.503 4.350 -0.000 0.000 0.193 1028 E C 0.466 177.032 176.600 -0.057 0.000 1.057 1028 E CA -0.171 56.190 56.400 -0.065 0.000 0.866 1028 E CB 0.236 29.894 29.700 -0.071 0.000 0.916 1028 E HN 0.120 nan 8.360 nan 0.000 0.500 1029 A N 1.030 123.827 122.820 -0.039 0.000 2.301 1029 A HA 0.379 4.699 4.320 -0.000 0.000 0.312 1029 A C -0.124 177.466 177.584 0.010 0.000 1.182 1029 A CA -0.400 51.612 52.037 -0.042 0.000 0.826 1029 A CB 0.725 19.677 19.000 -0.079 0.000 1.134 1029 A HN 0.027 nan 8.150 nan 0.000 0.501 1030 Q N 0.617 120.405 119.800 -0.019 0.000 2.288 1030 Q HA 0.461 4.801 4.340 -0.000 0.000 0.254 1030 Q C -0.865 175.127 176.000 -0.013 0.000 0.932 1030 Q CA -0.158 55.648 55.803 0.006 0.000 0.902 1030 Q CB 1.553 30.264 28.738 -0.046 0.000 1.203 1030 Q HN 0.525 nan 8.270 nan 0.000 0.415 1031 V N 3.069 122.988 119.914 0.009 0.000 2.350 1031 V HA 0.284 4.404 4.120 -0.000 0.000 0.276 1031 V C -0.080 175.988 176.094 -0.042 0.000 1.028 1031 V CA -0.501 61.750 62.300 -0.081 0.000 0.860 1031 V CB 1.037 32.711 31.823 -0.249 0.000 0.990 1031 V HN 0.856 nan 8.190 nan 0.000 0.453 1032 S N 4.831 120.502 115.700 -0.048 0.000 2.608 1032 S HA 0.767 5.237 4.470 -0.000 0.000 0.291 1032 S C -0.690 173.890 174.600 -0.032 0.000 1.146 1032 S CA -0.694 57.487 58.200 -0.033 0.000 1.043 1032 S CB 1.951 65.131 63.200 -0.034 0.000 1.037 1032 S HN 0.366 nan 8.310 nan 0.000 0.520 1033 V N 2.659 122.563 119.914 -0.017 0.000 2.409 1033 V HA 0.462 4.582 4.120 -0.000 0.000 0.291 1033 V C 0.028 176.124 176.094 0.003 0.000 1.020 1033 V CA -0.769 61.521 62.300 -0.017 0.000 0.848 1033 V CB 1.361 33.175 31.823 -0.014 0.000 0.990 1033 V HN 0.998 nan 8.190 nan 0.000 0.430 1034 K N 5.895 126.301 120.400 0.009 0.000 2.248 1034 K HA 0.664 4.984 4.320 -0.000 0.000 0.281 1034 K C -1.049 175.580 176.600 0.047 0.000 1.054 1034 K CA -0.365 55.938 56.287 0.027 0.000 0.903 1034 K CB 0.639 33.156 32.500 0.028 0.000 1.077 1034 K HN 0.619 nan 8.250 nan 0.000 0.474 1035 L N 3.041 124.304 121.223 0.067 0.000 2.271 1035 L HA 0.618 4.958 4.340 -0.000 0.000 0.265 1035 L C -0.656 176.294 176.870 0.133 0.000 1.013 1035 L CA -1.529 53.375 54.840 0.108 0.000 0.820 1035 L CB 1.981 44.108 42.059 0.113 0.000 1.352 1035 L HN 0.319 nan 8.230 nan 0.000 0.443 1036 V N 0.375 120.417 119.914 0.212 0.000 2.680 1036 V HA 0.499 4.619 4.120 -0.000 0.000 0.309 1036 V C 0.132 176.439 176.094 0.355 0.000 1.052 1036 V CA -0.910 61.535 62.300 0.241 0.000 0.908 1036 V CB 1.860 33.751 31.823 0.114 0.000 1.001 1036 V HN 0.852 nan 8.190 nan 0.000 0.431 1037 A N 4.523 127.518 122.820 0.291 0.000 2.561 1037 A HA 0.466 4.786 4.320 -0.000 0.000 0.251 1037 A C 0.273 178.007 177.584 0.251 0.000 1.062 1037 A CA 0.509 52.696 52.037 0.250 0.000 0.761 1037 A CB -0.291 18.854 19.000 0.242 0.000 0.986 1037 A HN 1.034 nan 8.150 nan 0.000 0.510 1038 E N 1.999 122.274 120.200 0.126 0.000 2.388 1038 E HA 0.401 4.751 4.350 -0.000 0.000 0.281 1038 E C -0.926 175.661 176.600 -0.022 0.000 1.046 1038 E CA -1.092 55.313 56.400 0.009 0.000 0.825 1038 E CB 0.467 30.029 29.700 -0.229 0.000 1.243 1038 E HN 0.513 nan 8.360 nan 0.000 0.438 1039 I N 1.960 122.513 120.570 -0.028 0.000 2.845 1039 I HA 0.223 4.393 4.170 -0.000 0.000 0.296 1039 I C 1.303 177.391 176.117 -0.048 0.000 1.216 1039 I CA 2.396 63.683 61.300 -0.023 0.000 1.438 1039 I CB 0.158 38.151 38.000 -0.012 0.000 1.342 1039 I HN 0.913 nan 8.210 nan 0.000 0.577 1040 G N 5.763 114.548 108.800 -0.024 0.000 2.213 1040 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.236 1040 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.236 1040 G C 1.039 175.934 174.900 -0.009 0.000 0.991 1040 G CA 0.349 45.434 45.100 -0.025 0.000 0.629 1040 G HN 0.745 nan 8.290 nan 0.000 0.517 1041 I N 1.432 122.005 120.570 0.004 0.000 2.361 1041 I HA 0.029 4.199 4.170 -0.000 0.000 0.251 1041 I C 2.541 178.684 176.117 0.042 0.000 1.133 1041 I CA 2.288 63.610 61.300 0.036 0.000 1.413 1041 I CB -0.375 37.668 38.000 0.071 0.000 1.073 1041 I HN 0.253 nan 8.210 nan 0.000 0.424 1042 G N -0.459 108.362 108.800 0.036 0.000 2.402 1042 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.216 1042 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.216 1042 G C 1.536 176.454 174.900 0.031 0.000 1.162 1042 G CA 1.207 46.327 45.100 0.034 0.000 0.777 1042 G HN 0.323 nan 8.290 nan 0.000 0.539 1043 T N 1.184 115.754 114.554 0.027 0.000 2.708 1043 T HA -0.043 4.307 4.350 -0.000 0.000 0.266 1043 T C 2.411 177.135 174.700 0.040 0.000 1.037 1043 T CA 0.936 63.055 62.100 0.032 0.000 1.146 1043 T CB -0.184 68.699 68.868 0.026 0.000 0.865 1043 T HN 0.236 nan 8.240 nan 0.000 0.435 1044 I N 1.284 121.873 120.570 0.033 0.000 2.208 1044 I HA -0.237 3.933 4.170 -0.000 0.000 0.245 1044 I C 2.847 178.991 176.117 0.045 0.000 1.097 1044 I CA 1.229 62.550 61.300 0.034 0.000 1.363 1044 I CB -0.455 37.564 38.000 0.031 0.000 1.051 1044 I HN 0.193 nan 8.210 nan 0.000 0.413 1045 A N 0.672 123.522 122.820 0.050 0.000 1.940 1045 A HA -0.214 4.106 4.320 -0.000 0.000 0.219 1045 A C 2.546 180.167 177.584 0.061 0.000 1.176 1045 A CA 1.969 54.039 52.037 0.055 0.000 0.631 1045 A CB -0.863 18.171 19.000 0.056 0.000 0.814 1045 A HN 0.456 nan 8.150 nan 0.000 0.446 1046 A N -0.449 122.407 122.820 0.059 0.000 1.883 1046 A HA 0.087 4.407 4.320 -0.000 0.000 0.217 1046 A C 2.462 180.114 177.584 0.112 0.000 1.186 1046 A CA 2.034 54.112 52.037 0.069 0.000 0.624 1046 A CB -1.493 17.542 19.000 0.057 0.000 0.822 1046 A HN 0.787 nan 8.150 nan 0.000 0.444 1047 G N -0.577 108.301 108.800 0.130 0.000 2.440 1047 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.218 1047 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.218 1047 G C 1.525 176.519 174.900 0.158 0.000 1.154 1047 G CA 1.348 46.563 45.100 0.192 0.000 0.767 1047 G HN 0.336 nan 8.290 nan 0.000 0.552 1048 V N 1.580 121.548 119.914 0.089 0.000 2.295 1048 V HA -0.131 3.989 4.120 -0.000 0.000 0.246 1048 V C 3.352 179.504 176.094 0.096 0.000 1.049 1048 V CA 2.029 64.373 62.300 0.073 0.000 1.024 1048 V CB -1.006 30.846 31.823 0.048 0.000 0.648 1048 V HN 0.492 nan 8.190 nan 0.000 0.447 1049 A N -0.162 122.713 122.820 0.090 0.000 1.892 1049 A HA -0.320 4.000 4.320 -0.000 0.000 0.218 1049 A C 2.268 179.895 177.584 0.073 0.000 1.188 1049 A CA 2.416 54.501 52.037 0.080 0.000 0.631 1049 A CB -0.559 18.483 19.000 0.071 0.000 0.822 1049 A HN 0.554 nan 8.150 nan 0.000 0.447 1050 K N -0.581 119.888 120.400 0.115 0.000 2.283 1050 K HA 0.033 4.353 4.320 -0.000 0.000 0.202 1050 K C 1.801 178.523 176.600 0.203 0.000 1.048 1050 K CA 0.824 57.182 56.287 0.120 0.000 0.948 1050 K CB -0.225 32.353 32.500 0.130 0.000 0.742 1050 K HN 0.460 nan 8.250 nan 0.000 0.458 1051 A N 0.808 123.781 122.820 0.255 0.000 2.235 1051 A HA -0.046 4.274 4.320 -0.000 0.000 0.208 1051 A C 0.486 178.170 177.584 0.166 0.000 1.172 1051 A CA 0.468 52.645 52.037 0.232 0.000 0.786 1051 A CB -0.525 18.568 19.000 0.155 0.000 0.804 1051 A HN 0.595 nan 8.150 nan 0.000 0.479 1052 N N -3.002 115.765 118.700 0.113 0.000 2.952 1052 N HA -0.158 4.582 4.740 -0.000 0.000 0.245 1052 N C 0.277 175.942 175.510 0.259 0.000 1.029 1052 N CA 0.057 53.170 53.050 0.105 0.000 0.870 1052 N CB -1.396 37.197 38.487 0.177 0.000 1.121 1052 N HN 0.667 nan 8.380 nan 0.000 0.559 1053 A N 0.253 123.187 122.820 0.190 0.000 2.448 1053 A HA 0.114 4.434 4.320 -0.000 0.000 0.239 1053 A C 0.950 178.707 177.584 0.288 0.000 1.080 1053 A CA 0.549 52.696 52.037 0.184 0.000 0.779 1053 A CB 0.223 19.277 19.000 0.091 0.000 1.026 1053 A HN 0.351 nan 8.150 nan 0.000 0.499 1054 D N -0.300 120.211 120.400 0.185 0.000 2.338 1054 D HA 0.213 4.853 4.640 -0.000 0.000 0.208 1054 D C -0.028 176.259 176.300 -0.021 0.000 0.997 1054 D CA 1.162 55.206 54.000 0.074 0.000 0.880 1054 D CB 0.324 41.111 40.800 -0.020 0.000 0.980 1054 D HN 0.478 nan 8.370 nan 0.000 0.509 1055 I N 0.901 121.465 120.570 -0.011 0.000 2.752 1055 I HA 0.289 4.459 4.170 -0.000 0.000 0.295 1055 I C -1.115 174.994 176.117 -0.014 0.000 1.219 1055 I CA -0.589 60.681 61.300 -0.049 0.000 1.030 1055 I CB 3.213 41.173 38.000 -0.066 0.000 1.259 1055 I HN -0.310 nan 8.210 nan 0.000 0.423 1056 I N 4.776 125.341 120.570 -0.009 0.000 2.418 1056 I HA 0.327 4.497 4.170 -0.000 0.000 0.287 1056 I C -0.440 175.678 176.117 0.002 0.000 1.008 1056 I CA -0.504 60.802 61.300 0.010 0.000 1.104 1056 I CB 1.873 39.895 38.000 0.035 0.000 1.264 1056 I HN 0.559 nan 8.210 nan 0.000 0.438 1057 Q N 6.214 126.015 119.800 0.001 0.000 2.267 1057 Q HA 0.548 4.888 4.340 -0.000 0.000 0.255 1057 Q C -1.206 174.811 176.000 0.028 0.000 0.923 1057 Q CA -0.539 55.263 55.803 -0.002 0.000 0.925 1057 Q CB 1.435 30.167 28.738 -0.010 0.000 1.195 1057 Q HN 0.558 nan 8.270 nan 0.000 0.417 1058 I N 2.531 123.120 120.570 0.032 0.000 2.355 1058 I HA 0.238 4.408 4.170 -0.000 0.000 0.288 1058 I C -0.502 175.664 176.117 0.081 0.000 0.999 1058 I CA -0.204 61.146 61.300 0.083 0.000 1.163 1058 I CB 1.982 40.053 38.000 0.118 0.000 1.316 1058 I HN 0.420 nan 8.210 nan 0.000 0.454 1059 S N 3.936 119.700 115.700 0.108 0.000 2.437 1059 S HA 0.605 5.075 4.470 -0.000 0.000 0.305 1059 S C 0.420 175.137 174.600 0.195 0.000 1.109 1059 S CA -0.692 57.572 58.200 0.107 0.000 1.099 1059 S CB 1.458 64.699 63.200 0.068 0.000 1.004 1059 S HN 0.781 nan 8.310 nan 0.000 0.475 1060 G N 1.320 110.283 108.800 0.272 0.000 2.634 1060 G HA2 0.171 4.131 3.960 -0.000 0.000 0.255 1060 G HA3 0.171 4.131 3.960 -0.000 0.000 0.255 1060 G C 0.921 175.968 174.900 0.246 0.000 1.205 1060 G CA -0.368 44.953 45.100 0.368 0.000 0.884 1060 G HN 0.917 nan 8.290 nan 0.000 0.549 1061 H N -0.757 118.400 119.070 0.146 0.000 2.521 1061 H HA -0.050 4.506 4.556 -0.000 0.000 0.286 1061 H C 1.329 176.705 175.328 0.080 0.000 1.034 1061 H CA 1.241 57.346 56.048 0.095 0.000 1.278 1061 H CB -0.122 29.689 29.762 0.081 0.000 1.386 1061 H HN 0.454 nan 8.280 nan 0.000 0.567 1062 D N 1.595 121.635 120.400 -0.600 0.000 2.182 1062 D HA -0.025 4.615 4.640 -0.000 0.000 0.201 1062 D C 1.210 177.419 176.300 -0.151 0.000 0.986 1062 D CA 0.976 54.674 54.000 -0.504 0.000 0.847 1062 D CB -0.442 40.269 40.800 -0.148 0.000 0.942 1062 D HN 0.554 nan 8.370 nan 0.000 0.467 1063 G N -0.973 107.796 108.800 -0.052 0.000 2.539 1063 G HA2 0.461 4.421 3.960 -0.000 0.000 0.258 1063 G HA3 0.461 4.421 3.960 -0.000 0.000 0.258 1063 G C 0.505 175.405 174.900 0.001 0.000 1.202 1063 G CA -0.035 45.065 45.100 0.001 0.000 0.851 1063 G HN 0.213 nan 8.290 nan 0.000 0.556 1064 G N -1.485 107.325 108.800 0.017 0.000 2.616 1064 G HA2 0.512 4.472 3.960 -0.000 0.000 0.268 1064 G HA3 0.512 4.472 3.960 -0.000 0.000 0.268 1064 G C -0.198 174.706 174.900 0.007 0.000 1.213 1064 G CA 0.493 45.601 45.100 0.012 0.000 0.926 1064 G HN 0.980 nan 8.290 nan 0.000 0.523 1065 T N -2.585 111.967 114.554 -0.004 0.000 2.893 1065 T HA 0.463 4.813 4.350 -0.000 0.000 0.337 1065 T C 1.038 175.730 174.700 -0.014 0.000 1.587 1065 T CA 0.576 62.674 62.100 -0.004 0.000 1.066 1065 T CB 0.992 69.856 68.868 -0.008 0.000 1.414 1065 T HN 0.936 nan 8.240 nan 0.000 0.488 1066 G N 0.978 109.780 108.800 0.003 0.000 2.511 1066 G HA2 0.513 4.473 3.960 -0.000 0.000 0.217 1066 G HA3 0.513 4.473 3.960 -0.000 0.000 0.217 1066 G C 0.478 175.390 174.900 0.021 0.000 1.133 1066 G CA 0.484 45.590 45.100 0.010 0.000 0.792 1066 G HN 1.426 nan 8.290 nan 0.000 0.539 1067 A N -0.979 121.843 122.820 0.004 0.000 2.562 1067 A HA 0.649 4.969 4.320 -0.000 0.000 0.305 1067 A C -0.782 176.795 177.584 -0.012 0.000 1.059 1067 A CA -0.254 51.780 52.037 -0.004 0.000 0.835 1067 A CB 0.653 19.689 19.000 0.060 0.000 1.299 1067 A HN 0.458 nan 8.150 nan 0.000 0.392 1068 S N 1.807 117.487 115.700 -0.033 0.000 2.565 1068 S HA 0.764 5.234 4.470 -0.000 0.000 0.269 1068 S C -3.139 171.465 174.600 0.006 0.000 1.153 1068 S CA -0.962 57.234 58.200 -0.006 0.000 0.835 1068 S CB 2.177 65.376 63.200 -0.001 0.000 1.122 1068 S HN 0.512 nan 8.310 nan 0.000 0.462 1069 P HA 0.097 nan 4.420 nan 0.000 0.264 1069 P C 0.800 178.125 177.300 0.042 0.000 1.193 1069 P CA -0.305 62.813 63.100 0.031 0.000 0.763 1069 P CB 0.359 32.078 31.700 0.032 0.000 0.810 1070 L N 4.702 125.955 121.223 0.050 0.000 2.043 1070 L HA -0.244 4.096 4.340 -0.000 0.000 0.212 1070 L C 2.120 178.994 176.870 0.006 0.000 1.075 1070 L CA 2.620 57.484 54.840 0.040 0.000 0.752 1070 L CB -1.542 40.512 42.059 -0.009 0.000 0.891 1070 L HN 0.425 nan 8.230 nan 0.000 0.432 1071 S N -2.186 113.538 115.700 0.039 0.000 2.399 1071 S HA -0.156 4.314 4.470 -0.000 0.000 0.231 1071 S C 1.914 176.557 174.600 0.073 0.000 1.022 1071 S CA 1.303 59.565 58.200 0.103 0.000 0.983 1071 S CB -0.752 62.528 63.200 0.134 0.000 0.803 1071 S HN 0.545 nan 8.310 nan 0.000 0.480 1072 S N 2.108 117.834 115.700 0.043 0.000 2.377 1072 S HA 0.202 4.672 4.470 -0.000 0.000 0.223 1072 S C 1.797 176.401 174.600 0.006 0.000 1.030 1072 S CA 0.989 59.209 58.200 0.035 0.000 0.970 1072 S CB -0.556 62.657 63.200 0.022 0.000 0.830 1072 S HN 0.493 nan 8.310 nan 0.000 0.473 1073 I N 1.452 122.022 120.570 -0.001 0.000 2.248 1073 I HA -0.229 3.941 4.170 -0.000 0.000 0.248 1073 I C 2.067 178.154 176.117 -0.050 0.000 1.107 1073 I CA 1.201 62.501 61.300 0.000 0.000 1.373 1073 I CB -0.177 37.853 38.000 0.050 0.000 1.055 1073 I HN 0.162 nan 8.210 nan 0.000 0.418 1074 K N -0.937 119.353 120.400 -0.184 0.000 2.361 1074 K HA 0.105 4.425 4.320 -0.000 0.000 0.194 1074 K C 0.941 177.235 176.600 -0.510 0.000 1.032 1074 K CA 0.670 56.717 56.287 -0.400 0.000 1.048 1074 K CB 0.325 32.428 32.500 -0.661 0.000 0.842 1074 K HN 0.442 nan 8.250 nan 0.000 0.526 1075 H N -1.546 117.469 119.070 -0.091 0.000 3.540 1075 H HA 0.331 4.887 4.556 -0.000 0.000 0.259 1075 H C -0.247 175.077 175.328 -0.006 0.000 1.197 1075 H CA -0.210 55.718 56.048 -0.201 0.000 1.136 1075 H CB 1.129 30.492 29.762 -0.665 0.000 1.605 1075 H HN -0.029 nan 8.280 nan 0.000 0.657 1076 A N 0.778 123.687 122.820 0.148 0.000 2.343 1076 A HA 0.664 4.984 4.320 -0.000 0.000 0.308 1076 A C 0.347 178.060 177.584 0.214 0.000 1.092 1076 A CA -0.188 51.971 52.037 0.203 0.000 0.751 1076 A CB 1.223 20.309 19.000 0.144 0.000 1.203 1076 A HN 0.399 nan 8.150 nan 0.000 0.452 1077 G N 0.836 109.850 108.800 0.355 0.000 2.697 1077 G HA2 0.331 4.291 3.960 -0.000 0.000 0.686 1077 G HA3 0.331 4.291 3.960 -0.000 0.000 0.686 1077 G C -0.426 174.629 174.900 0.257 0.000 1.179 1077 G CA -0.284 45.044 45.100 0.381 0.000 0.765 1077 G HN 1.294 nan 8.290 nan 0.000 0.649 1078 S N 2.318 118.153 115.700 0.224 0.000 2.704 1078 S HA 0.862 5.332 4.470 -0.000 0.000 0.305 1078 S C -2.423 172.239 174.600 0.102 0.000 1.107 1078 S CA -1.141 57.088 58.200 0.047 0.000 0.993 1078 S CB 2.109 65.338 63.200 0.047 0.000 1.110 1078 S HN 0.696 nan 8.310 nan 0.000 0.534 1079 P HA 0.001 nan 4.420 nan 0.000 0.267 1079 P C 0.886 178.236 177.300 0.085 0.000 1.200 1079 P CA -0.135 62.998 63.100 0.054 0.000 0.772 1079 P CB 0.195 31.804 31.700 -0.152 0.000 0.855 1080 W N 2.256 123.649 121.300 0.154 0.000 2.467 1080 W HA -0.049 4.611 4.660 -0.000 0.000 0.275 1080 W C 0.692 177.260 176.519 0.083 0.000 1.239 1080 W CA 0.493 57.904 57.345 0.109 0.000 1.266 1080 W CB -1.271 28.245 29.460 0.093 0.000 1.112 1080 W HN 0.290 nan 8.180 nan 0.000 0.576 1081 E N 1.736 121.659 120.200 -0.462 0.000 2.097 1081 E HA -0.196 4.154 4.350 -0.000 0.000 0.196 1081 E C 2.352 178.923 176.600 -0.049 0.000 1.000 1081 E CA 2.150 58.334 56.400 -0.359 0.000 0.804 1081 E CB -0.774 28.600 29.700 -0.543 0.000 0.740 1081 E HN 0.268 nan 8.360 nan 0.000 0.454 1082 L N -0.249 120.947 121.223 -0.046 0.000 2.093 1082 L HA -0.065 4.275 4.340 -0.000 0.000 0.208 1082 L C 2.368 179.283 176.870 0.076 0.000 1.085 1082 L CA 1.171 56.017 54.840 0.010 0.000 0.755 1082 L CB -0.573 41.479 42.059 -0.011 0.000 0.904 1082 L HN 0.284 nan 8.230 nan 0.000 0.435 1083 G N -0.718 108.163 108.800 0.135 0.000 2.404 1083 G HA2 -0.140 3.820 3.960 -0.000 0.000 0.213 1083 G HA3 -0.140 3.820 3.960 -0.000 0.000 0.213 1083 G C 1.580 176.588 174.900 0.180 0.000 1.189 1083 G CA 0.635 45.834 45.100 0.165 0.000 0.796 1083 G HN 0.123 nan 8.290 nan 0.000 0.532 1084 V N 0.799 120.864 119.914 0.250 0.000 2.261 1084 V HA -0.201 3.919 4.120 -0.000 0.000 0.246 1084 V C 3.095 179.305 176.094 0.193 0.000 1.047 1084 V CA 2.409 64.849 62.300 0.233 0.000 1.015 1084 V CB -1.029 30.989 31.823 0.325 0.000 0.642 1084 V HN 0.375 nan 8.190 nan 0.000 0.446 1085 T N -0.671 113.990 114.554 0.178 0.000 2.653 1085 T HA -0.318 4.032 4.350 -0.000 0.000 0.268 1085 T C 1.926 176.697 174.700 0.118 0.000 1.035 1085 T CA 2.305 64.488 62.100 0.139 0.000 1.154 1085 T CB -0.232 68.693 68.868 0.096 0.000 0.862 1085 T HN 0.696 nan 8.240 nan 0.000 0.441 1086 E N -0.158 120.100 120.200 0.095 0.000 2.072 1086 E HA -0.096 4.254 4.350 -0.000 0.000 0.190 1086 E C 2.266 178.902 176.600 0.060 0.000 0.982 1086 E CA 0.935 57.373 56.400 0.064 0.000 0.803 1086 E CB -0.022 29.709 29.700 0.053 0.000 0.755 1086 E HN 0.303 nan 8.360 nan 0.000 0.453 1087 V N 0.658 120.624 119.914 0.087 0.000 2.270 1087 V HA -0.252 3.868 4.120 -0.000 0.000 0.245 1087 V C 2.381 178.511 176.094 0.060 0.000 1.043 1087 V CA 2.319 64.664 62.300 0.075 0.000 1.014 1087 V CB -0.837 31.044 31.823 0.097 0.000 0.645 1087 V HN 0.457 nan 8.190 nan 0.000 0.447 1088 H N 0.630 119.700 119.070 -0.001 0.000 2.319 1088 H HA -0.215 4.341 4.556 -0.000 0.000 0.297 1088 H C 2.460 177.729 175.328 -0.098 0.000 1.097 1088 H CA 2.500 58.514 56.048 -0.058 0.000 1.285 1088 H CB -0.172 29.557 29.762 -0.054 0.000 1.368 1088 H HN 0.239 nan 8.280 nan 0.000 0.495 1089 R N 0.011 120.432 120.500 -0.131 0.000 2.070 1089 R HA -0.111 4.229 4.340 -0.000 0.000 0.233 1089 R C 2.210 178.410 176.300 -0.165 0.000 1.137 1089 R CA 1.818 57.809 56.100 -0.180 0.000 0.945 1089 R CB -0.489 29.778 30.300 -0.055 0.000 0.845 1089 R HN 0.329 nan 8.270 nan 0.000 0.430 1090 V N 1.860 121.722 119.914 -0.087 0.000 2.295 1090 V HA -0.262 3.858 4.120 -0.000 0.000 0.246 1090 V C 2.522 178.569 176.094 -0.078 0.000 1.049 1090 V CA 1.753 64.017 62.300 -0.060 0.000 1.024 1090 V CB -0.447 31.365 31.823 -0.017 0.000 0.648 1090 V HN 0.341 nan 8.190 nan 0.000 0.447 1091 L N -1.165 120.003 121.223 -0.090 0.000 2.012 1091 L HA -0.246 4.093 4.340 -0.000 0.000 0.210 1091 L C 2.652 179.434 176.870 -0.146 0.000 1.073 1091 L CA 1.651 56.439 54.840 -0.086 0.000 0.748 1091 L CB -0.561 41.466 42.059 -0.053 0.000 0.891 1091 L HN 0.313 nan 8.230 nan 0.000 0.431 1092 M N -0.694 118.735 119.600 -0.285 0.000 2.132 1092 M HA -0.177 4.303 4.480 -0.000 0.000 0.263 1092 M C 1.991 178.182 176.300 -0.183 0.000 1.065 1092 M CA 1.654 56.761 55.300 -0.321 0.000 1.122 1092 M CB -0.736 31.540 32.600 -0.541 0.000 1.365 1092 M HN 0.277 nan 8.290 nan 0.000 0.411 1093 E N -0.091 120.018 120.200 -0.153 0.000 2.427 1093 E HA -0.059 4.291 4.350 -0.000 0.000 0.196 1093 E C 1.085 177.651 176.600 -0.057 0.000 1.028 1093 E CA 0.352 56.697 56.400 -0.092 0.000 0.864 1093 E CB 0.051 29.705 29.700 -0.077 0.000 0.813 1093 E HN 0.474 nan 8.360 nan 0.000 0.514 1094 N N 0.538 119.205 118.700 -0.054 0.000 2.205 1094 N HA -0.013 4.727 4.740 -0.000 0.000 0.201 1094 N C -0.537 174.959 175.510 -0.022 0.000 1.128 1094 N CA 0.194 53.227 53.050 -0.030 0.000 0.867 1094 N CB 0.872 39.347 38.487 -0.019 0.000 0.996 1094 N HN 0.019 nan 8.380 nan 0.000 0.503 1095 Q N -0.097 119.685 119.800 -0.029 0.000 2.487 1095 Q HA -0.159 4.181 4.340 -0.000 0.000 0.279 1095 Q C 0.406 176.414 176.000 0.012 0.000 1.228 1095 Q CA 0.631 56.431 55.803 -0.006 0.000 0.873 1095 Q CB -2.170 26.570 28.738 0.002 0.000 1.260 1095 Q HN 0.457 nan 8.270 nan 0.000 0.471 1096 L N -1.232 119.996 121.223 0.009 0.000 2.858 1096 L HA 0.187 4.527 4.340 -0.000 0.000 0.251 1096 L C 1.996 178.911 176.870 0.074 0.000 1.149 1096 L CA -0.189 54.672 54.840 0.036 0.000 0.955 1096 L CB 0.096 42.170 42.059 0.026 0.000 1.289 1096 L HN -0.001 nan 8.230 nan 0.000 0.542 1097 R N 1.634 122.172 120.500 0.062 0.000 2.152 1097 R HA -0.171 4.169 4.340 -0.000 0.000 0.232 1097 R C 1.744 178.224 176.300 0.300 0.000 1.117 1097 R CA 1.851 58.023 56.100 0.119 0.000 0.981 1097 R CB -0.293 29.986 30.300 -0.035 0.000 0.870 1097 R HN 0.478 nan 8.270 nan 0.000 0.451 1098 D N -1.015 119.551 120.400 0.276 0.000 2.347 1098 D HA -0.100 4.540 4.640 -0.000 0.000 0.213 1098 D C 1.065 177.605 176.300 0.400 0.000 0.985 1098 D CA 0.459 54.645 54.000 0.310 0.000 0.879 1098 D CB -0.202 40.712 40.800 0.189 0.000 0.919 1098 D HN 0.243 nan 8.370 nan 0.000 0.526 1099 R N 0.312 120.991 120.500 0.298 0.000 2.240 1099 R HA 0.115 4.455 4.340 -0.000 0.000 0.203 1099 R C 0.471 176.962 176.300 0.318 0.000 1.011 1099 R CA 0.446 56.727 56.100 0.302 0.000 1.007 1099 R CB 0.550 30.932 30.300 0.137 0.000 0.911 1099 R HN 0.224 nan 8.270 nan 0.000 0.468 1100 V N -1.808 118.227 119.914 0.202 0.000 2.932 1100 V HA 0.342 4.462 4.120 -0.000 0.000 0.307 1100 V C -0.654 175.316 176.094 -0.207 0.000 1.147 1100 V CA -1.483 60.813 62.300 -0.006 0.000 0.951 1100 V CB 2.106 33.964 31.823 0.057 0.000 1.031 1100 V HN -0.174 nan 8.190 nan 0.000 0.426 1101 L N 4.786 125.725 121.223 -0.474 0.000 2.367 1101 L HA 0.534 4.874 4.340 -0.000 0.000 0.275 1101 L C -0.434 176.389 176.870 -0.079 0.000 1.129 1101 L CA 0.053 54.703 54.840 -0.316 0.000 0.839 1101 L CB 0.634 42.491 42.059 -0.336 0.000 1.133 1101 L HN 0.780 nan 8.230 nan 0.000 0.453 1102 L N 5.889 127.118 121.223 0.011 0.000 2.289 1102 L HA 0.508 4.848 4.340 -0.000 0.000 0.285 1102 L C 0.080 176.909 176.870 -0.070 0.000 1.049 1102 L CA -0.479 54.365 54.840 0.007 0.000 0.804 1102 L CB 1.425 43.527 42.059 0.072 0.000 1.195 1102 L HN 0.642 nan 8.230 nan 0.000 0.428 1103 R N 2.415 122.864 120.500 -0.085 0.000 2.670 1103 R HA 0.821 5.161 4.340 -0.000 0.000 0.289 1103 R C -1.333 174.891 176.300 -0.128 0.000 0.965 1103 R CA -0.318 55.693 56.100 -0.148 0.000 0.899 1103 R CB 2.037 32.267 30.300 -0.116 0.000 1.173 1103 R HN 0.742 nan 8.270 nan 0.000 0.456 1104 A N 2.908 125.611 122.820 -0.195 0.000 2.414 1104 A HA 0.585 4.905 4.320 -0.000 0.000 0.306 1104 A C -1.672 175.716 177.584 -0.327 0.000 1.054 1104 A CA -0.681 51.207 52.037 -0.249 0.000 0.724 1104 A CB 1.406 20.182 19.000 -0.374 0.000 1.267 1104 A HN 0.842 nan 8.150 nan 0.000 0.418 1105 D N -0.484 119.733 120.400 -0.306 0.000 2.570 1105 D HA 0.709 5.349 4.640 -0.000 0.000 0.244 1105 D C -0.346 175.822 176.300 -0.219 0.000 1.178 1105 D CA -0.053 53.770 54.000 -0.296 0.000 0.881 1105 D CB 1.450 42.158 40.800 -0.152 0.000 1.453 1105 D HN 1.775 nan 8.370 nan 0.000 0.447 1106 G N -1.083 107.648 108.800 -0.116 0.000 2.951 1106 G HA2 0.503 4.463 3.960 -0.000 0.000 0.508 1106 G HA3 0.503 4.463 3.960 -0.000 0.000 0.508 1106 G C 0.686 175.706 174.900 0.200 0.000 1.203 1106 G CA 0.218 45.377 45.100 0.098 0.000 1.209 1106 G HN 1.712 nan 8.290 nan 0.000 0.552 1107 G N 0.061 108.941 108.800 0.133 0.000 2.187 1107 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.261 1107 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.261 1107 G C 0.657 175.680 174.900 0.205 0.000 1.000 1107 G CA 0.725 45.933 45.100 0.180 0.000 0.718 1107 G HN 1.504 nan 8.290 nan 0.000 0.519 1108 L N -0.868 120.396 121.223 0.068 0.000 2.360 1108 L HA 0.430 4.770 4.340 -0.000 0.000 0.276 1108 L C 1.271 178.276 176.870 0.225 0.000 1.121 1108 L CA 0.181 55.024 54.840 0.004 0.000 0.845 1108 L CB 1.012 42.779 42.059 -0.488 0.000 1.143 1108 L HN 0.196 nan 8.230 nan 0.000 0.452 1109 K N 0.507 121.148 120.400 0.401 0.000 2.567 1109 K HA 0.173 4.493 4.320 -0.000 0.000 0.218 1109 K C 0.226 177.176 176.600 0.583 0.000 1.440 1109 K CA -0.014 56.615 56.287 0.570 0.000 0.995 1109 K CB 1.380 34.151 32.500 0.453 0.000 1.186 1109 K HN 0.513 nan 8.250 nan 0.000 0.593 1110 T N -1.160 113.678 114.554 0.474 0.000 2.906 1110 T HA 0.361 4.711 4.350 -0.000 0.000 0.295 1110 T C 0.865 175.784 174.700 0.366 0.000 1.061 1110 T CA -0.343 62.003 62.100 0.409 0.000 1.000 1110 T CB 1.750 70.843 68.868 0.375 0.000 1.103 1110 T HN 0.180 nan 8.240 nan 0.000 0.486 1111 G N 0.858 109.851 108.800 0.322 0.000 2.469 1111 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.220 1111 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.220 1111 G C 1.264 176.356 174.900 0.319 0.000 1.136 1111 G CA 0.946 46.215 45.100 0.282 0.000 0.759 1111 G HN 0.832 nan 8.290 nan 0.000 0.562 1112 W N 1.536 122.953 121.300 0.194 0.000 2.381 1112 W HA -0.041 4.619 4.660 -0.000 0.000 0.301 1112 W C 1.928 178.594 176.519 0.246 0.000 1.205 1112 W CA 1.309 58.802 57.345 0.246 0.000 1.285 1112 W CB 0.166 29.759 29.460 0.222 0.000 1.133 1112 W HN 0.130 nan 8.180 nan 0.000 0.521 1113 D N 0.226 120.925 120.400 0.500 0.000 2.144 1113 D HA -0.197 4.443 4.640 -0.000 0.000 0.199 1113 D C 2.308 178.650 176.300 0.069 0.000 0.984 1113 D CA 1.874 56.054 54.000 0.301 0.000 0.834 1113 D CB -0.636 40.395 40.800 0.386 0.000 0.955 1113 D HN 0.169 nan 8.370 nan 0.000 0.465 1114 V N 0.856 120.773 119.914 0.006 0.000 2.343 1114 V HA -0.188 3.932 4.120 -0.000 0.000 0.247 1114 V C 2.666 178.612 176.094 -0.248 0.000 1.051 1114 V CA 0.986 63.120 62.300 -0.276 0.000 1.036 1114 V CB -0.358 31.325 31.823 -0.234 0.000 0.654 1114 V HN 0.053 nan 8.190 nan 0.000 0.451 1115 V N -0.873 118.989 119.914 -0.087 0.000 2.453 1115 V HA -0.238 3.882 4.120 -0.000 0.000 0.247 1115 V C 2.499 178.593 176.094 -0.000 0.000 1.048 1115 V CA 1.542 63.806 62.300 -0.060 0.000 1.049 1115 V CB -0.537 31.236 31.823 -0.083 0.000 0.672 1115 V HN 0.392 nan 8.190 nan 0.000 0.457 1116 M N 0.108 119.679 119.600 -0.048 0.000 2.080 1116 M HA -0.177 4.303 4.480 -0.000 0.000 0.260 1116 M C 2.380 178.790 176.300 0.183 0.000 1.068 1116 M CA 2.402 57.697 55.300 -0.008 0.000 1.109 1116 M CB -1.332 31.138 32.600 -0.217 0.000 1.342 1116 M HN 0.414 nan 8.290 nan 0.000 0.405 1117 A N -0.358 122.575 122.820 0.190 0.000 1.969 1117 A HA 0.083 4.403 4.320 -0.000 0.000 0.218 1117 A C 2.389 180.101 177.584 0.213 0.000 1.169 1117 A CA 1.776 53.924 52.037 0.185 0.000 0.635 1117 A CB -0.768 18.140 19.000 -0.154 0.000 0.810 1117 A HN 0.480 nan 8.150 nan 0.000 0.445 1118 A N 0.233 123.163 122.820 0.183 0.000 1.845 1118 A HA -0.063 4.257 4.320 -0.000 0.000 0.215 1118 A C 2.106 179.760 177.584 0.117 0.000 1.195 1118 A CA 1.482 53.641 52.037 0.203 0.000 0.616 1118 A CB -0.785 18.304 19.000 0.148 0.000 0.832 1118 A HN 0.464 nan 8.150 nan 0.000 0.443 1119 L N -1.272 120.006 121.223 0.092 0.000 2.081 1119 L HA -0.221 4.119 4.340 -0.000 0.000 0.212 1119 L C 2.543 179.448 176.870 0.058 0.000 1.080 1119 L CA 1.560 56.447 54.840 0.077 0.000 0.754 1119 L CB -0.497 41.627 42.059 0.108 0.000 0.893 1119 L HN 0.425 nan 8.230 nan 0.000 0.433 1120 M N -1.154 118.498 119.600 0.087 0.000 2.561 1120 M HA 0.115 4.595 4.480 -0.000 0.000 0.238 1120 M C 1.201 177.468 176.300 -0.055 0.000 1.131 1120 M CA 0.808 56.151 55.300 0.071 0.000 1.046 1120 M CB 0.470 33.181 32.600 0.185 0.000 1.532 1120 M HN 0.439 nan 8.290 nan 0.000 0.497 1121 G N 0.158 108.883 108.800 -0.126 0.000 2.205 1121 G HA2 -0.089 3.871 3.960 -0.000 0.000 0.180 1121 G HA3 -0.089 3.871 3.960 -0.000 0.000 0.180 1121 G C 0.006 174.872 174.900 -0.056 0.000 1.004 1121 G CA -0.194 44.688 45.100 -0.364 0.000 0.670 1121 G HN 0.588 nan 8.290 nan 0.000 0.496 1122 A N 0.040 122.896 122.820 0.059 0.000 2.309 1122 A HA 0.792 5.112 4.320 -0.000 0.000 0.298 1122 A C 0.826 178.425 177.584 0.025 0.000 1.165 1122 A CA 0.467 52.528 52.037 0.040 0.000 0.821 1122 A CB 0.655 19.660 19.000 0.009 0.000 1.102 1122 A HN 0.330 nan 8.150 nan 0.000 0.500 1123 E N 0.859 120.992 120.200 -0.111 0.000 2.307 1123 E HA 0.059 4.409 4.350 -0.000 0.000 0.195 1123 E C -0.027 176.293 176.600 -0.466 0.000 0.975 1123 E CA 0.570 56.896 56.400 -0.124 0.000 0.878 1123 E CB 0.397 30.106 29.700 0.015 0.000 0.845 1123 E HN 0.812 nan 8.360 nan 0.000 0.488 1124 E N -0.475 119.274 120.200 -0.750 0.000 2.392 1124 E HA 0.427 4.777 4.350 -0.000 0.000 0.269 1124 E C -1.430 174.514 176.600 -1.092 0.000 0.924 1124 E CA -0.752 55.130 56.400 -0.864 0.000 0.784 1124 E CB 1.965 31.482 29.700 -0.304 0.000 1.292 1124 E HN -0.055 nan 8.360 nan 0.000 0.447 1125 Y N -0.917 119.461 120.300 0.130 0.000 2.396 1125 Y HA 0.527 5.077 4.550 -0.000 0.000 0.332 1125 Y C 0.231 176.141 175.900 0.016 0.000 1.034 1125 Y CA -1.105 56.993 58.100 -0.004 0.000 1.057 1125 Y CB 2.244 40.759 38.460 0.093 0.000 1.220 1125 Y HN 0.579 nan 8.280 nan 0.000 0.440 1126 G N 1.928 110.656 108.800 -0.121 0.000 2.432 1126 G HA2 0.745 4.705 3.960 -0.000 0.000 0.331 1126 G HA3 0.745 4.705 3.960 -0.000 0.000 0.331 1126 G C -1.807 172.961 174.900 -0.220 0.000 1.170 1126 G CA -0.645 44.456 45.100 0.002 0.000 0.943 1126 G HN 0.355 nan 8.290 nan 0.000 0.483 1127 F N 0.176 120.207 119.950 0.135 0.000 2.561 1127 F HA 0.601 5.128 4.527 -0.000 0.000 0.313 1127 F C 0.787 176.676 175.800 0.148 0.000 1.126 1127 F CA -0.331 57.779 58.000 0.184 0.000 0.918 1127 F CB 2.626 41.844 39.000 0.363 0.000 1.199 1127 F HN 0.683 nan 8.300 nan 0.000 0.444 1128 G N 0.477 109.424 108.800 0.245 0.000 2.472 1128 G HA2 0.031 3.991 3.960 -0.000 0.000 0.199 1128 G HA3 0.031 3.991 3.960 -0.000 0.000 0.199 1128 G C 1.215 176.183 174.900 0.113 0.000 1.547 1128 G CA 0.311 45.501 45.100 0.151 0.000 0.701 1128 G HN 0.497 nan 8.290 nan 0.000 0.623 1129 S N 1.290 117.043 115.700 0.089 0.000 2.374 1129 S HA -0.143 4.327 4.470 -0.000 0.000 0.227 1129 S C 2.441 177.056 174.600 0.025 0.000 1.037 1129 S CA 1.637 59.869 58.200 0.053 0.000 1.024 1129 S CB -0.304 62.930 63.200 0.057 0.000 0.861 1129 S HN 0.382 nan 8.310 nan 0.000 0.456 1130 I N 2.053 122.659 120.570 0.060 0.000 2.226 1130 I HA -0.087 4.083 4.170 -0.000 0.000 0.245 1130 I C 2.596 178.517 176.117 -0.326 0.000 1.100 1130 I CA 1.142 62.406 61.300 -0.060 0.000 1.374 1130 I CB -2.195 35.881 38.000 0.126 0.000 1.057 1130 I HN 0.197 nan 8.210 nan 0.000 0.413 1131 A N 1.053 123.766 122.820 -0.177 0.000 1.902 1131 A HA -0.167 4.153 4.320 -0.000 0.000 0.217 1131 A C 2.431 179.932 177.584 -0.139 0.000 1.181 1131 A CA 1.924 53.836 52.037 -0.209 0.000 0.623 1131 A CB -0.660 18.397 19.000 0.095 0.000 0.818 1131 A HN 0.416 nan 8.150 nan 0.000 0.443 1132 M N -0.631 118.936 119.600 -0.055 0.000 2.080 1132 M HA -0.144 4.336 4.480 -0.000 0.000 0.260 1132 M C 2.039 178.296 176.300 -0.072 0.000 1.068 1132 M CA 1.700 56.987 55.300 -0.022 0.000 1.109 1132 M CB -0.558 32.043 32.600 0.002 0.000 1.342 1132 M HN 0.411 nan 8.290 nan 0.000 0.405 1133 I N -0.035 120.459 120.570 -0.126 0.000 2.286 1133 I HA -0.259 3.911 4.170 -0.000 0.000 0.248 1133 I C 2.627 178.624 176.117 -0.198 0.000 1.115 1133 I CA 1.130 62.334 61.300 -0.160 0.000 1.392 1133 I CB -0.627 37.287 38.000 -0.143 0.000 1.065 1133 I HN 0.269 nan 8.210 nan 0.000 0.418 1134 A N 1.210 123.845 122.820 -0.309 0.000 1.972 1134 A HA -0.199 4.121 4.320 -0.000 0.000 0.219 1134 A C 1.959 179.530 177.584 -0.022 0.000 1.169 1134 A CA 1.684 53.562 52.037 -0.265 0.000 0.635 1134 A CB -0.608 18.059 19.000 -0.554 0.000 0.810 1134 A HN 0.674 nan 8.150 nan 0.000 0.446 1135 E N -1.834 118.345 120.200 -0.035 0.000 2.419 1135 E HA 0.417 4.767 4.350 -0.000 0.000 0.190 1135 E C 0.834 177.332 176.600 -0.172 0.000 1.040 1135 E CA 0.355 56.764 56.400 0.015 0.000 0.900 1135 E CB -0.148 29.661 29.700 0.181 0.000 1.054 1135 E HN 0.628 nan 8.360 nan 0.000 0.462 1136 G N 0.850 109.423 108.800 -0.378 0.000 2.255 1136 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.196 1136 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.196 1136 G C 0.398 175.106 174.900 -0.320 0.000 0.998 1136 G CA -0.343 44.374 45.100 -0.638 0.000 0.656 1136 G HN 0.468 nan 8.290 nan 0.000 0.490 1137 C N 2.337 121.545 119.300 -0.154 0.000 2.523 1137 C HA 0.483 4.943 4.460 -0.000 0.000 0.406 1137 C C 1.666 176.587 174.990 -0.116 0.000 1.449 1137 C CA 0.150 59.113 59.018 -0.092 0.000 1.588 1137 C CB -1.545 26.165 27.740 -0.050 0.000 2.514 1137 C HN 0.385 nan 8.230 nan 0.000 0.606 1138 I N 5.989 126.506 120.570 -0.090 0.000 3.932 1138 I HA 0.365 4.535 4.170 -0.000 0.000 0.256 1138 I C 0.955 177.042 176.117 -0.051 0.000 1.408 1138 I CA -0.584 60.674 61.300 -0.070 0.000 0.882 1138 I CB 0.211 38.176 38.000 -0.059 0.000 1.657 1138 I HN 0.414 nan 8.210 nan 0.000 0.733 1139 M N 1.282 120.855 119.600 -0.045 0.000 3.062 1139 M HA 0.282 4.762 4.480 -0.000 0.000 0.270 1139 M C 0.632 176.916 176.300 -0.026 0.000 1.270 1139 M CA -0.310 54.969 55.300 -0.036 0.000 0.702 1139 M CB 0.489 33.068 32.600 -0.035 0.000 1.398 1139 M HN 0.754 nan 8.290 nan 0.000 0.490 1140 A N 0.872 123.678 122.820 -0.024 0.000 2.015 1140 A HA -0.024 4.296 4.320 -0.000 0.000 0.219 1140 A C 1.223 178.810 177.584 0.006 0.000 1.163 1140 A CA 0.964 52.998 52.037 -0.005 0.000 0.646 1140 A CB -0.059 18.933 19.000 -0.012 0.000 0.806 1140 A HN 0.741 nan 8.150 nan 0.000 0.448 1141 R N -2.199 118.279 120.500 -0.036 0.000 3.261 1141 R HA -0.140 4.200 4.340 -0.000 0.000 0.257 1141 R C 0.023 176.263 176.300 -0.099 0.000 1.014 1141 R CA 0.656 56.688 56.100 -0.113 0.000 0.681 1141 R CB -2.410 27.846 30.300 -0.073 0.000 1.155 1141 R HN 0.988 nan 8.270 nan 0.000 0.424 1142 V N -4.225 115.646 119.914 -0.071 0.000 2.925 1142 V HA 0.132 4.252 4.120 -0.000 0.000 0.361 1142 V C 1.643 177.648 176.094 -0.149 0.000 1.361 1142 V CA -0.005 62.224 62.300 -0.118 0.000 1.184 1142 V CB 0.325 32.083 31.823 -0.109 0.000 1.245 1142 V HN 0.394 nan 8.190 nan 0.000 0.575 1143 C N 1.418 120.691 119.300 -0.045 0.000 2.401 1143 C HA -0.176 4.284 4.460 -0.000 0.000 0.276 1143 C C 2.666 177.649 174.990 -0.012 0.000 1.233 1143 C CA 1.878 60.882 59.018 -0.024 0.000 1.753 1143 C CB -1.502 26.232 27.740 -0.010 0.000 2.029 1143 C HN 0.937 nan 8.230 nan 0.000 0.478 1144 H N -0.412 118.609 119.070 -0.081 0.000 2.559 1144 H HA -0.002 4.554 4.556 -0.000 0.000 0.273 1144 H C 1.514 176.831 175.328 -0.018 0.000 1.000 1144 H CA 1.316 57.339 56.048 -0.042 0.000 1.195 1144 H CB -0.905 28.836 29.762 -0.034 0.000 1.368 1144 H HN 0.363 nan 8.280 nan 0.000 0.592 1145 T N 0.816 115.097 114.554 -0.455 0.000 3.065 1145 T HA -0.044 4.306 4.350 -0.000 0.000 0.252 1145 T C 0.699 175.304 174.700 -0.158 0.000 1.099 1145 T CA 0.585 62.462 62.100 -0.370 0.000 1.063 1145 T CB -0.269 68.325 68.868 -0.457 0.000 0.948 1145 T HN 0.489 nan 8.240 nan 0.000 0.506 1146 N N 1.346 119.978 118.700 -0.114 0.000 2.753 1146 N HA -0.153 4.587 4.740 -0.000 0.000 0.251 1146 N C -0.335 175.138 175.510 -0.061 0.000 1.097 1146 N CA 0.714 53.724 53.050 -0.067 0.000 0.786 1146 N CB -1.499 36.959 38.487 -0.047 0.000 1.137 1146 N HN 0.257 nan 8.380 nan 0.000 0.566 1147 N N -0.264 118.389 118.700 -0.078 0.000 2.275 1147 N HA 0.132 4.872 4.740 -0.000 0.000 0.236 1147 N C -0.429 175.055 175.510 -0.044 0.000 1.154 1147 N CA -0.155 52.861 53.050 -0.056 0.000 0.866 1147 N CB -0.231 38.221 38.487 -0.058 0.000 1.093 1147 N HN 0.377 nan 8.380 nan 0.000 0.515 1148 C N 3.741 123.016 119.300 -0.041 0.000 2.409 1148 C HA 0.009 4.469 4.460 -0.000 0.000 0.398 1148 C C -0.678 174.305 174.990 -0.011 0.000 1.507 1148 C CA -0.818 58.185 59.018 -0.025 0.000 1.460 1148 C CB 0.093 27.826 27.740 -0.012 0.000 2.472 1148 C HN 0.370 nan 8.230 nan 0.000 0.614 1149 P HA 0.048 nan 4.420 nan 0.000 0.249 1149 P C 0.494 177.793 177.300 -0.002 0.000 1.241 1149 P CA 0.996 64.091 63.100 -0.008 0.000 0.781 1149 P CB 0.198 31.892 31.700 -0.012 0.000 1.088 1150 V N -1.522 118.399 119.914 0.011 0.000 3.544 1150 V HA 0.317 4.437 4.120 -0.000 0.000 0.298 1150 V C 1.264 177.418 176.094 0.101 0.000 1.580 1150 V CA 0.629 62.939 62.300 0.016 0.000 1.122 1150 V CB 0.119 31.925 31.823 -0.029 0.000 0.951 1150 V HN 0.260 nan 8.190 nan 0.000 0.448 1151 G N 0.287 109.147 108.800 0.100 0.000 2.143 1151 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.248 1151 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.248 1151 G C 0.540 175.520 174.900 0.134 0.000 0.991 1151 G CA 0.682 45.864 45.100 0.137 0.000 0.689 1151 G HN 0.484 nan 8.290 nan 0.000 0.522 1152 V N -0.463 119.521 119.914 0.117 0.000 2.521 1152 V HA 0.500 4.620 4.120 -0.000 0.000 0.239 1152 V C 2.216 178.313 176.094 0.004 0.000 1.053 1152 V CA 2.091 64.438 62.300 0.078 0.000 1.073 1152 V CB 0.354 32.255 31.823 0.129 0.000 0.746 1152 V HN 1.102 nan 8.190 nan 0.000 0.476 1153 A N -0.130 122.693 122.820 0.005 0.000 2.965 1153 A HA 0.568 4.888 4.320 -0.000 0.000 0.304 1153 A C 0.383 177.955 177.584 -0.020 0.000 1.214 1153 A CA 0.243 52.276 52.037 -0.007 0.000 0.977 1153 A CB -0.059 18.938 19.000 -0.006 0.000 1.127 1153 A HN 0.369 nan 8.150 nan 0.000 0.572 1154 T N -1.525 113.013 114.554 -0.027 0.000 2.903 1154 T HA 0.395 4.745 4.350 -0.000 0.000 0.299 1154 T C -0.084 174.589 174.700 -0.044 0.000 1.093 1154 T CA -0.354 61.727 62.100 -0.033 0.000 1.002 1154 T CB 1.353 70.205 68.868 -0.027 0.000 1.127 1154 T HN 0.163 nan 8.240 nan 0.000 0.488 1155 Q N 1.476 121.251 119.800 -0.042 0.000 2.247 1155 Q HA 0.195 4.535 4.340 -0.000 0.000 0.211 1155 Q C 0.176 176.147 176.000 -0.048 0.000 0.861 1155 Q CA 0.091 55.865 55.803 -0.049 0.000 0.949 1155 Q CB 0.485 29.202 28.738 -0.035 0.000 1.115 1155 Q HN 0.693 nan 8.270 nan 0.000 0.507 1156 Q N 1.381 121.158 119.800 -0.037 0.000 2.255 1156 Q HA -0.038 4.302 4.340 -0.000 0.000 0.280 1156 Q C 0.554 176.533 176.000 -0.035 0.000 1.068 1156 Q CA 0.252 56.037 55.803 -0.031 0.000 0.911 1156 Q CB 0.497 29.221 28.738 -0.022 0.000 1.157 1156 Q HN 0.256 nan 8.270 nan 0.000 0.380 1157 E N 2.467 122.644 120.200 -0.038 0.000 2.118 1157 E HA -0.246 4.104 4.350 -0.000 0.000 0.195 1157 E C 1.595 178.184 176.600 -0.019 0.000 0.992 1157 E CA 1.109 57.484 56.400 -0.042 0.000 0.804 1157 E CB 0.092 29.767 29.700 -0.043 0.000 0.741 1157 E HN 0.426 nan 8.360 nan 0.000 0.458 1158 R N 0.394 120.887 120.500 -0.012 0.000 2.081 1158 R HA -0.104 4.236 4.340 -0.000 0.000 0.235 1158 R C 2.333 178.636 176.300 0.006 0.000 1.131 1158 R CA 1.056 57.155 56.100 -0.001 0.000 0.960 1158 R CB -0.182 30.116 30.300 -0.002 0.000 0.856 1158 R HN 0.167 nan 8.270 nan 0.000 0.436 1159 L N -0.294 120.930 121.223 0.001 0.000 2.095 1159 L HA -0.053 4.287 4.340 -0.000 0.000 0.204 1159 L C 2.396 179.284 176.870 0.030 0.000 1.080 1159 L CA 1.020 55.866 54.840 0.011 0.000 0.759 1159 L CB -0.305 41.755 42.059 0.000 0.000 0.914 1159 L HN 0.110 nan 8.230 nan 0.000 0.439 1160 R N 0.018 120.526 120.500 0.013 0.000 2.117 1160 R HA -0.243 4.097 4.340 -0.000 0.000 0.243 1160 R C 2.202 178.558 176.300 0.093 0.000 1.143 1160 R CA 1.480 57.595 56.100 0.024 0.000 0.968 1160 R CB -0.397 29.873 30.300 -0.050 0.000 0.863 1160 R HN 0.452 nan 8.270 nan 0.000 0.444 1161 Q N 0.089 119.930 119.800 0.068 0.000 2.368 1161 Q HA -0.113 4.227 4.340 -0.000 0.000 0.210 1161 Q C 1.799 177.856 176.000 0.097 0.000 0.982 1161 Q CA 1.099 56.957 55.803 0.091 0.000 0.884 1161 Q CB 0.087 28.858 28.738 0.056 0.000 0.933 1161 Q HN 0.286 nan 8.270 nan 0.000 0.460 1162 R N -0.734 119.817 120.500 0.086 0.000 2.236 1162 R HA -0.016 4.324 4.340 -0.000 0.000 0.208 1162 R C 0.123 176.468 176.300 0.074 0.000 1.036 1162 R CA -0.127 56.008 56.100 0.057 0.000 1.001 1162 R CB 0.004 30.325 30.300 0.035 0.000 0.896 1162 R HN 0.109 nan 8.270 nan 0.000 0.464 1163 F N 3.615 123.563 119.950 -0.004 0.000 2.538 1163 F HA -0.035 4.492 4.527 -0.000 0.000 0.382 1163 F C 0.161 175.960 175.800 -0.002 0.000 1.069 1163 F CA 0.142 58.143 58.000 0.001 0.000 1.138 1163 F CB 0.238 39.254 39.000 0.026 0.000 1.068 1163 F HN -0.228 nan 8.300 nan 0.000 0.556 1164 K N 4.853 124.918 120.400 -0.558 0.000 2.139 1164 K HA 0.829 5.149 4.320 -0.000 0.000 0.243 1164 K C -0.228 175.834 176.600 -0.897 0.000 0.983 1164 K CA -0.755 55.243 56.287 -0.481 0.000 0.890 1164 K CB 1.608 33.957 32.500 -0.251 0.000 1.090 1164 K HN 0.855 nan 8.250 nan 0.000 0.445 1165 G N 0.006 108.504 108.800 -0.503 0.000 2.897 1165 G HA2 0.150 4.110 3.960 -0.000 0.000 0.392 1165 G HA3 0.150 4.110 3.960 -0.000 0.000 0.392 1165 G C -0.983 173.917 174.900 0.001 0.000 1.263 1165 G CA -0.587 44.254 45.100 -0.432 0.000 1.185 1165 G HN 0.563 nan 8.290 nan 0.000 0.573 1166 V N 0.947 120.889 119.914 0.047 0.000 2.914 1166 V HA 0.893 5.013 4.120 -0.000 0.000 0.314 1166 V C -1.525 174.624 176.094 0.091 0.000 1.084 1166 V CA -2.229 60.131 62.300 0.101 0.000 0.963 1166 V CB 2.059 33.915 31.823 0.054 0.000 1.025 1166 V HN 0.312 nan 8.190 nan 0.000 0.432 1167 P HA -0.066 nan 4.420 nan 0.000 0.216 1167 P C 1.669 178.993 177.300 0.040 0.000 1.150 1167 P CA 2.218 65.362 63.100 0.073 0.000 0.843 1167 P CB 0.011 31.744 31.700 0.055 0.000 0.787 1168 G N -0.373 108.439 108.800 0.020 0.000 2.450 1168 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.220 1168 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.220 1168 G C 1.497 176.394 174.900 -0.005 0.000 1.130 1168 G CA 0.607 45.706 45.100 -0.002 0.000 0.760 1168 G HN 0.324 nan 8.290 nan 0.000 0.557 1169 Q N -0.417 119.385 119.800 0.002 0.000 2.050 1169 Q HA -0.066 4.274 4.340 -0.000 0.000 0.202 1169 Q C 2.844 178.849 176.000 0.008 0.000 0.980 1169 Q CA 1.693 57.492 55.803 -0.005 0.000 0.840 1169 Q CB -0.324 28.410 28.738 -0.007 0.000 0.898 1169 Q HN 0.476 nan 8.270 nan 0.000 0.424 1170 V N -1.328 118.606 119.914 0.033 0.000 2.719 1170 V HA -0.101 4.019 4.120 -0.000 0.000 0.252 1170 V C 1.959 178.111 176.094 0.097 0.000 1.065 1170 V CA 0.929 63.268 62.300 0.065 0.000 1.086 1170 V CB -0.176 31.711 31.823 0.106 0.000 0.700 1170 V HN 0.151 nan 8.190 nan 0.000 0.467 1171 V N 1.895 121.812 119.914 0.004 0.000 2.255 1171 V HA -0.257 3.863 4.120 -0.000 0.000 0.247 1171 V C 2.638 178.522 176.094 -0.350 0.000 1.051 1171 V CA 2.759 64.956 62.300 -0.171 0.000 1.018 1171 V CB -1.193 30.521 31.823 -0.182 0.000 0.641 1171 V HN 0.610 nan 8.190 nan 0.000 0.445 1172 N N -0.089 118.490 118.700 -0.203 0.000 2.061 1172 N HA -0.229 4.511 4.740 -0.000 0.000 0.193 1172 N C 1.652 176.923 175.510 -0.398 0.000 1.030 1172 N CA 1.969 54.860 53.050 -0.264 0.000 0.856 1172 N CB -0.669 37.697 38.487 -0.202 0.000 1.023 1172 N HN 0.571 nan 8.380 nan 0.000 0.424 1173 F N 0.628 120.374 119.950 -0.341 0.000 2.095 1173 F HA -0.095 4.432 4.527 -0.000 0.000 0.298 1173 F C 1.906 177.529 175.800 -0.295 0.000 1.104 1173 F CA 1.297 59.114 58.000 -0.304 0.000 1.232 1173 F CB -0.642 38.124 39.000 -0.390 0.000 0.987 1173 F HN -0.052 nan 8.300 nan 0.000 0.475 1174 F N -1.178 118.565 119.950 -0.346 0.000 2.502 1174 F HA -0.129 4.398 4.527 -0.000 0.000 0.298 1174 F C 2.060 177.804 175.800 -0.094 0.000 1.111 1174 F CA 0.796 58.583 58.000 -0.354 0.000 1.445 1174 F CB -0.628 38.301 39.000 -0.118 0.000 1.081 1174 F HN 0.062 nan 8.300 nan 0.000 0.558 1175 Y N -1.394 118.845 120.300 -0.101 0.000 2.220 1175 Y HA -0.224 4.326 4.550 -0.000 0.000 0.291 1175 Y C 2.241 178.019 175.900 -0.204 0.000 1.129 1175 Y CA 0.583 58.583 58.100 -0.166 0.000 1.161 1175 Y CB -0.471 37.822 38.460 -0.278 0.000 0.997 1175 Y HN -0.024 nan 8.280 nan 0.000 0.522 1176 F N -0.454 119.416 119.950 -0.135 0.000 2.095 1176 F HA -0.330 4.197 4.527 -0.000 0.000 0.298 1176 F C 2.133 177.821 175.800 -0.186 0.000 1.104 1176 F CA 0.432 58.225 58.000 -0.345 0.000 1.232 1176 F CB -0.320 38.167 39.000 -0.855 0.000 0.987 1176 F HN 0.051 nan 8.300 nan 0.000 0.475 1177 I N 0.722 121.259 120.570 -0.055 0.000 2.127 1177 I HA -0.284 3.886 4.170 -0.000 0.000 0.241 1177 I C 2.713 178.954 176.117 0.206 0.000 1.075 1177 I CA 1.563 62.867 61.300 0.008 0.000 1.334 1177 I CB -1.887 35.940 38.000 -0.288 0.000 1.040 1177 I HN 0.050 nan 8.210 nan 0.000 0.405 1178 A N -0.316 122.683 122.820 0.299 0.000 2.015 1178 A HA -0.156 4.164 4.320 -0.000 0.000 0.219 1178 A C 2.221 179.900 177.584 0.158 0.000 1.163 1178 A CA 1.163 53.376 52.037 0.292 0.000 0.646 1178 A CB -0.393 18.764 19.000 0.261 0.000 0.806 1178 A HN 0.362 nan 8.150 nan 0.000 0.448 1179 E N -0.173 120.102 120.200 0.125 0.000 2.072 1179 E HA -0.168 4.182 4.350 -0.000 0.000 0.191 1179 E C 1.919 178.585 176.600 0.111 0.000 0.985 1179 E CA 1.099 57.550 56.400 0.085 0.000 0.801 1179 E CB -0.251 29.486 29.700 0.062 0.000 0.750 1179 E HN 0.796 nan 8.360 nan 0.000 0.452 1180 E N 0.256 120.547 120.200 0.152 0.000 2.118 1180 E HA -0.149 4.201 4.350 -0.000 0.000 0.195 1180 E C 2.118 178.817 176.600 0.165 0.000 0.992 1180 E CA 0.994 57.500 56.400 0.176 0.000 0.804 1180 E CB 0.211 30.052 29.700 0.234 0.000 0.741 1180 E HN 0.005 nan 8.360 nan 0.000 0.458 1181 V N 0.945 120.959 119.914 0.166 0.000 2.332 1181 V HA -0.289 3.831 4.120 -0.000 0.000 0.248 1181 V C 2.346 178.494 176.094 0.090 0.000 1.055 1181 V CA 2.028 64.409 62.300 0.134 0.000 1.038 1181 V CB -0.480 31.434 31.823 0.152 0.000 0.651 1181 V HN 0.262 nan 8.190 nan 0.000 0.450 1182 R N 0.518 121.068 120.500 0.082 0.000 2.091 1182 R HA -0.158 4.182 4.340 -0.000 0.000 0.238 1182 R C 2.600 178.937 176.300 0.062 0.000 1.136 1182 R CA 1.786 57.920 56.100 0.057 0.000 0.959 1182 R CB -0.578 29.745 30.300 0.039 0.000 0.856 1182 R HN 0.649 nan 8.270 nan 0.000 0.437 1183 S N 0.542 116.289 115.700 0.077 0.000 2.428 1183 S HA -0.012 4.458 4.470 -0.000 0.000 0.230 1183 S C 1.983 176.642 174.600 0.098 0.000 1.014 1183 S CA 0.529 58.778 58.200 0.083 0.000 0.957 1183 S CB -0.094 63.157 63.200 0.085 0.000 0.784 1183 S HN 0.212 nan 8.310 nan 0.000 0.499 1184 L N 0.640 121.918 121.223 0.092 0.000 2.044 1184 L HA 0.049 4.389 4.340 -0.000 0.000 0.205 1184 L C 2.577 179.463 176.870 0.027 0.000 1.075 1184 L CA 1.070 55.944 54.840 0.057 0.000 0.747 1184 L CB -0.602 41.469 42.059 0.020 0.000 0.903 1184 L HN 0.310 nan 8.230 nan 0.000 0.435 1185 L N -0.246 120.994 121.223 0.030 0.000 2.079 1185 L HA -0.243 4.097 4.340 -0.000 0.000 0.210 1185 L C 2.873 179.776 176.870 0.056 0.000 1.081 1185 L CA 1.169 56.039 54.840 0.049 0.000 0.752 1185 L CB -0.830 41.262 42.059 0.055 0.000 0.896 1185 L HN 0.266 nan 8.230 nan 0.000 0.433 1186 A N -0.747 122.109 122.820 0.059 0.000 1.858 1186 A HA -0.294 4.026 4.320 -0.000 0.000 0.216 1186 A C 2.311 179.929 177.584 0.056 0.000 1.190 1186 A CA 1.843 53.910 52.037 0.050 0.000 0.617 1186 A CB -1.054 17.981 19.000 0.058 0.000 0.827 1186 A HN 0.543 nan 8.150 nan 0.000 0.443 1187 H N -0.198 118.871 119.070 -0.001 0.000 2.353 1187 H HA -0.086 4.470 4.556 -0.000 0.000 0.298 1187 H C 1.838 177.154 175.328 -0.020 0.000 1.103 1187 H CA 1.851 57.902 56.048 0.005 0.000 1.293 1187 H CB -0.108 29.674 29.762 0.034 0.000 1.372 1187 H HN 0.422 nan 8.280 nan 0.000 0.501 1188 L N -0.353 120.821 121.223 -0.082 0.000 2.217 1188 L HA -0.001 4.339 4.340 -0.000 0.000 0.211 1188 L C 1.627 178.345 176.870 -0.253 0.000 1.107 1188 L CA 0.805 55.566 54.840 -0.133 0.000 0.783 1188 L CB -0.014 42.070 42.059 0.043 0.000 0.919 1188 L HN 0.614 nan 8.230 nan 0.000 0.442 1189 G N -0.935 107.735 108.800 -0.218 0.000 2.165 1189 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.226 1189 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.226 1189 G C -0.320 174.322 174.900 -0.429 0.000 1.035 1189 G CA -0.398 44.512 45.100 -0.316 0.000 0.744 1189 G HN 0.302 nan 8.290 nan 0.000 0.501 1190 Y N -1.596 118.683 120.300 -0.035 0.000 2.536 1190 Y HA 0.599 5.149 4.550 -0.000 0.000 0.347 1190 Y C 1.546 177.432 175.900 -0.024 0.000 1.000 1190 Y CA -1.378 56.704 58.100 -0.029 0.000 1.051 1190 Y CB 1.322 39.763 38.460 -0.031 0.000 1.259 1190 Y HN -0.043 nan 8.280 nan 0.000 0.468 1191 R N 0.460 121.057 120.500 0.161 0.000 2.223 1191 R HA 0.139 4.479 4.340 -0.000 0.000 0.198 1191 R C -0.236 176.094 176.300 0.049 0.000 0.984 1191 R CA 0.614 56.757 56.100 0.072 0.000 1.018 1191 R CB 0.323 30.651 30.300 0.046 0.000 0.945 1191 R HN 0.592 nan 8.270 nan 0.000 0.479 1192 S N -1.246 114.484 115.700 0.050 0.000 2.565 1192 S HA 0.194 4.664 4.470 -0.000 0.000 0.269 1192 S C 0.326 174.926 174.600 -0.000 0.000 1.153 1192 S CA -0.865 57.344 58.200 0.016 0.000 0.835 1192 S CB 1.282 64.478 63.200 -0.005 0.000 1.122 1192 S HN -0.151 nan 8.310 nan 0.000 0.462 1193 L N 1.838 123.065 121.223 0.006 0.000 2.012 1193 L HA -0.040 4.300 4.340 -0.000 0.000 0.210 1193 L C 2.278 179.136 176.870 -0.021 0.000 1.073 1193 L CA 2.349 57.197 54.840 0.015 0.000 0.748 1193 L CB -1.651 40.456 42.059 0.080 0.000 0.891 1193 L HN 1.078 nan 8.230 nan 0.000 0.431 1194 D N -0.654 119.725 120.400 -0.035 0.000 2.220 1194 D HA -0.241 4.399 4.640 -0.000 0.000 0.198 1194 D C 1.496 177.713 176.300 -0.138 0.000 1.001 1194 D CA 1.457 55.405 54.000 -0.086 0.000 0.875 1194 D CB 0.129 40.877 40.800 -0.087 0.000 0.921 1194 D HN 0.373 nan 8.370 nan 0.000 0.454 1195 D N -0.820 119.495 120.400 -0.141 0.000 2.277 1195 D HA -0.016 4.624 4.640 -0.000 0.000 0.208 1195 D C 1.929 177.997 176.300 -0.386 0.000 0.962 1195 D CA 0.619 54.474 54.000 -0.242 0.000 0.865 1195 D CB 0.071 40.745 40.800 -0.209 0.000 0.939 1195 D HN 0.592 nan 8.370 nan 0.000 0.510 1196 I N -2.647 117.757 120.570 -0.277 0.000 4.139 1196 I HA 0.233 4.403 4.170 -0.000 0.000 0.335 1196 I C 0.430 176.514 176.117 -0.055 0.000 1.327 1196 I CA -0.329 60.827 61.300 -0.240 0.000 1.112 1196 I CB 0.301 38.180 38.000 -0.202 0.000 1.058 1196 I HN -0.321 nan 8.210 nan 0.000 0.396 1197 I N 3.828 124.399 120.570 0.002 0.000 2.742 1197 I HA 0.148 4.317 4.170 -0.000 0.000 0.287 1197 I C 1.548 177.795 176.117 0.217 0.000 1.186 1197 I CA 1.581 62.948 61.300 0.111 0.000 1.417 1197 I CB 0.292 38.370 38.000 0.130 0.000 1.377 1197 I HN 0.589 nan 8.210 nan 0.000 0.556 1198 G N 5.077 113.941 108.800 0.107 0.000 2.225 1198 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.254 1198 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.254 1198 G C 0.672 175.635 174.900 0.105 0.000 0.988 1198 G CA -0.522 44.603 45.100 0.041 0.000 0.625 1198 G HN 0.524 nan 8.290 nan 0.000 0.527 1199 R N 1.330 121.886 120.500 0.092 0.000 4.113 1199 R HA 0.215 4.555 4.340 -0.000 0.000 0.179 1199 R C 1.608 177.956 176.300 0.081 0.000 1.781 1199 R CA 0.733 56.877 56.100 0.074 0.000 1.402 1199 R CB -0.715 29.587 30.300 0.003 0.000 1.375 1199 R HN 0.348 nan 8.270 nan 0.000 0.786 1200 T N 0.912 115.518 114.554 0.086 0.000 2.929 1200 T HA -0.126 4.224 4.350 -0.000 0.000 0.271 1200 T C 1.269 176.022 174.700 0.088 0.000 1.085 1200 T CA 1.632 63.782 62.100 0.083 0.000 1.125 1200 T CB 0.015 68.929 68.868 0.077 0.000 0.874 1200 T HN 0.562 nan 8.240 nan 0.000 0.494 1201 D N 0.719 121.172 120.400 0.088 0.000 2.310 1201 D HA -0.081 4.559 4.640 -0.000 0.000 0.212 1201 D C 1.831 178.195 176.300 0.106 0.000 0.965 1201 D CA 0.517 54.570 54.000 0.087 0.000 0.879 1201 D CB -0.421 40.428 40.800 0.083 0.000 0.921 1201 D HN 0.439 nan 8.370 nan 0.000 0.510 1202 L N 0.007 121.305 121.223 0.125 0.000 2.610 1202 L HA 0.138 4.478 4.340 -0.000 0.000 0.232 1202 L C 0.935 177.934 176.870 0.214 0.000 1.149 1202 L CA 0.083 55.022 54.840 0.164 0.000 0.872 1202 L CB -0.173 41.983 42.059 0.161 0.000 0.992 1202 L HN -0.048 nan 8.230 nan 0.000 0.447 1203 L N 0.495 121.816 121.223 0.164 0.000 2.360 1203 L HA 0.393 4.733 4.340 -0.000 0.000 0.271 1203 L C -0.069 176.858 176.870 0.096 0.000 1.057 1203 L CA -0.341 54.584 54.840 0.141 0.000 0.803 1203 L CB 1.560 43.676 42.059 0.095 0.000 1.207 1203 L HN 0.062 nan 8.230 nan 0.000 0.445 1204 K N 0.215 120.656 120.400 0.067 0.000 2.533 1204 K HA 0.605 4.925 4.320 -0.000 0.000 0.272 1204 K C -1.589 175.025 176.600 0.023 0.000 0.985 1204 K CA -0.961 55.355 56.287 0.049 0.000 0.876 1204 K CB 1.753 34.291 32.500 0.064 0.000 1.452 1204 K HN 0.152 nan 8.250 nan 0.000 0.439 1205 V N 2.081 122.008 119.914 0.021 0.000 2.488 1205 V HA 0.202 4.322 4.120 -0.000 0.000 0.277 1205 V C 0.498 176.600 176.094 0.013 0.000 1.046 1205 V CA -0.418 61.888 62.300 0.011 0.000 0.986 1205 V CB 0.854 32.682 31.823 0.010 0.000 0.989 1205 V HN 0.659 nan 8.190 nan 0.000 0.475 1206 R N 3.080 123.585 120.500 0.008 0.000 2.538 1206 R HA -0.004 4.336 4.340 -0.000 0.000 0.282 1206 R C 1.347 177.652 176.300 0.009 0.000 1.009 1206 R CA 0.615 56.721 56.100 0.009 0.000 1.063 1206 R CB 0.520 30.825 30.300 0.008 0.000 0.945 1206 R HN 0.943 nan 8.270 nan 0.000 0.414 1207 S N 1.538 117.245 115.700 0.011 0.000 2.593 1207 S HA -0.032 4.438 4.470 -0.000 0.000 0.217 1207 S C 0.345 174.948 174.600 0.005 0.000 0.966 1207 S CA 0.396 58.602 58.200 0.010 0.000 0.914 1207 S CB 0.213 63.422 63.200 0.016 0.000 0.776 1207 S HN 0.801 nan 8.310 nan 0.000 0.523 1208 D N 0.192 120.592 120.400 0.000 0.000 2.556 1208 D HA 0.222 4.862 4.640 -0.000 0.000 0.237 1208 D C -0.069 176.227 176.300 -0.006 0.000 1.296 1208 D CA -0.287 53.710 54.000 -0.005 0.000 0.807 1208 D CB -0.088 40.705 40.800 -0.010 0.000 1.084 1208 D HN 0.252 nan 8.370 nan 0.000 0.510 1209 V N 0.484 120.397 119.914 -0.001 0.000 2.743 1209 V HA 0.463 4.583 4.120 -0.000 0.000 0.301 1209 V C -0.460 175.641 176.094 0.011 0.000 1.057 1209 V CA -0.280 62.022 62.300 0.005 0.000 1.006 1209 V CB 1.726 33.552 31.823 0.004 0.000 1.024 1209 V HN 0.045 nan 8.190 nan 0.000 0.473 1210 Q N 2.439 122.255 119.800 0.026 0.000 2.263 1210 Q HA 0.536 4.876 4.340 -0.000 0.000 0.262 1210 Q C -1.495 174.546 176.000 0.067 0.000 0.984 1210 Q CA -0.159 55.662 55.803 0.029 0.000 0.813 1210 Q CB 1.807 30.552 28.738 0.012 0.000 1.299 1210 Q HN 0.664 nan 8.270 nan 0.000 0.428 1211 L N 1.560 122.815 121.223 0.053 0.000 2.357 1211 L HA 0.432 4.772 4.340 -0.000 0.000 0.273 1211 L C 0.861 177.781 176.870 0.084 0.000 1.080 1211 L CA -0.258 54.622 54.840 0.066 0.000 0.803 1211 L CB 1.476 43.550 42.059 0.025 0.000 1.174 1211 L HN 0.746 nan 8.230 nan 0.000 0.443 1212 S N 0.467 116.245 115.700 0.129 0.000 2.395 1212 S HA -0.062 4.408 4.470 -0.000 0.000 0.225 1212 S C 1.567 176.199 174.600 0.053 0.000 1.027 1212 S CA 1.187 59.456 58.200 0.115 0.000 0.965 1212 S CB 0.080 63.390 63.200 0.183 0.000 0.812 1212 S HN 0.538 nan 8.310 nan 0.000 0.482 1213 K N 0.525 120.952 120.400 0.045 0.000 2.276 1213 K HA 0.121 4.441 4.320 -0.000 0.000 0.198 1213 K C 0.427 177.036 176.600 0.015 0.000 1.052 1213 K CA 0.666 56.975 56.287 0.037 0.000 0.984 1213 K CB 0.561 33.108 32.500 0.078 0.000 0.836 1213 K HN 0.386 nan 8.250 nan 0.000 0.490 1214 T N -2.505 112.055 114.554 0.011 0.000 2.901 1214 T HA 0.195 4.545 4.350 -0.000 0.000 0.293 1214 T C 0.538 175.236 174.700 -0.004 0.000 1.084 1214 T CA -0.883 61.213 62.100 -0.007 0.000 1.008 1214 T CB 1.787 70.646 68.868 -0.015 0.000 1.170 1214 T HN -0.217 nan 8.240 nan 0.000 0.509 1215 Q N 1.012 120.805 119.800 -0.011 0.000 2.062 1215 Q HA -0.070 4.270 4.340 -0.000 0.000 0.209 1215 Q C 0.605 176.602 176.000 -0.006 0.000 0.996 1215 Q CA 2.364 58.162 55.803 -0.009 0.000 0.859 1215 Q CB -0.035 28.694 28.738 -0.014 0.000 0.920 1215 Q HN 0.871 nan 8.270 nan 0.000 0.415 1216 N N -3.071 115.624 118.700 -0.009 0.000 3.951 1216 N HA 0.047 4.787 4.740 -0.000 0.000 0.222 1216 N C -1.303 174.200 175.510 -0.012 0.000 1.352 1216 N CA -0.634 52.412 53.050 -0.007 0.000 0.852 1216 N CB 0.085 38.569 38.487 -0.005 0.000 1.444 1216 N HN -0.052 nan 8.380 nan 0.000 0.473 1217 L N 0.574 121.790 121.223 -0.012 0.000 2.505 1217 L HA 0.520 4.860 4.340 -0.000 0.000 0.226 1217 L C 0.916 177.777 176.870 -0.016 0.000 1.211 1217 L CA 0.328 55.158 54.840 -0.016 0.000 0.828 1217 L CB -0.030 42.018 42.059 -0.019 0.000 1.331 1217 L HN 0.744 nan 8.230 nan 0.000 0.513 1218 T N 1.481 116.024 114.554 -0.018 0.000 2.812 1218 T HA 0.497 4.847 4.350 -0.000 0.000 0.282 1218 T C 0.755 175.445 174.700 -0.016 0.000 0.990 1218 T CA -0.325 61.767 62.100 -0.015 0.000 0.960 1218 T CB 0.934 69.793 68.868 -0.014 0.000 0.948 1218 T HN 0.328 nan 8.240 nan 0.000 0.438 1219 L N 1.882 123.098 121.223 -0.013 0.000 2.818 1219 L HA 0.219 4.559 4.340 -0.000 0.000 0.243 1219 L C 1.370 178.236 176.870 -0.007 0.000 1.185 1219 L CA -0.176 54.655 54.840 -0.015 0.000 0.988 1219 L CB -0.016 42.034 42.059 -0.016 0.000 1.292 1219 L HN 0.541 nan 8.230 nan 0.000 0.519 1220 D N 0.916 121.313 120.400 -0.004 0.000 2.203 1220 D HA -0.225 4.415 4.640 -0.000 0.000 0.199 1220 D C 2.147 178.449 176.300 0.003 0.000 0.997 1220 D CA 1.770 55.771 54.000 0.002 0.000 0.863 1220 D CB -0.033 40.767 40.800 0.000 0.000 0.928 1220 D HN 0.608 nan 8.370 nan 0.000 0.458 1221 C N -0.434 118.865 119.300 -0.002 0.000 2.448 1221 C HA 0.107 4.567 4.460 -0.000 0.000 0.280 1221 C C 2.563 177.558 174.990 0.008 0.000 1.398 1221 C CA -0.212 58.807 59.018 0.002 0.000 1.774 1221 C CB -1.382 26.356 27.740 -0.003 0.000 1.888 1221 C HN 0.203 nan 8.230 nan 0.000 0.519 1222 L N -0.093 121.131 121.223 0.001 0.000 2.416 1222 L HA 0.211 4.551 4.340 -0.000 0.000 0.216 1222 L C 2.539 179.422 176.870 0.022 0.000 1.098 1222 L CA 0.565 55.410 54.840 0.007 0.000 0.840 1222 L CB -0.325 41.724 42.059 -0.017 0.000 0.981 1222 L HN 0.294 nan 8.230 nan 0.000 0.462 1223 L N -0.664 120.571 121.223 0.020 0.000 2.298 1223 L HA 0.075 4.415 4.340 -0.000 0.000 0.209 1223 L C 0.360 177.251 176.870 0.035 0.000 1.084 1223 L CA 0.232 55.089 54.840 0.030 0.000 0.816 1223 L CB -0.110 41.964 42.059 0.025 0.000 0.967 1223 L HN 0.245 nan 8.230 nan 0.000 0.460 1224 N N 1.986 120.703 118.700 0.028 0.000 2.807 1224 N HA 0.323 5.063 4.740 -0.000 0.000 0.259 1224 N C -0.618 174.909 175.510 0.029 0.000 1.149 1224 N CA 0.338 53.404 53.050 0.027 0.000 1.042 1224 N CB 0.405 38.902 38.487 0.017 0.000 1.367 1224 N HN 0.161 nan 8.380 nan 0.000 0.516 1225 L N 1.165 122.413 121.223 0.043 0.000 2.332 1225 L HA 0.563 4.903 4.340 -0.000 0.000 0.269 1225 L C -1.784 175.102 176.870 0.026 0.000 1.016 1225 L CA -2.088 52.778 54.840 0.044 0.000 0.809 1225 L CB 0.679 42.799 42.059 0.102 0.000 1.280 1225 L HN 0.116 nan 8.230 nan 0.000 0.447 1226 P HA 0.012 nan 4.420 nan 0.000 0.268 1226 P C -0.956 176.358 177.300 0.023 0.000 1.204 1226 P CA -0.278 62.812 63.100 -0.017 0.000 0.768 1226 P CB 0.257 31.908 31.700 -0.083 0.000 0.842 1227 D N 1.617 122.041 120.400 0.040 0.000 2.586 1227 D HA -0.060 4.580 4.640 -0.000 0.000 0.234 1227 D C 0.446 176.809 176.300 0.105 0.000 1.132 1227 D CA 1.026 55.067 54.000 0.069 0.000 0.860 1227 D CB 0.296 41.133 40.800 0.061 0.000 1.159 1227 D HN 0.171 nan 8.370 nan 0.000 0.490 1228 T N 3.573 118.217 114.554 0.149 0.000 3.044 1228 T HA 0.073 4.423 4.350 -0.000 0.000 0.260 1228 T C 1.566 176.378 174.700 0.188 0.000 1.019 1228 T CA -0.247 62.003 62.100 0.250 0.000 0.921 1228 T CB 0.178 69.255 68.868 0.348 0.000 1.053 1228 T HN 0.340 nan 8.240 nan 0.000 0.533 1229 K N 1.108 121.582 120.400 0.122 0.000 2.103 1229 K HA -0.089 4.231 4.320 -0.000 0.000 0.207 1229 K C 2.106 178.751 176.600 0.075 0.000 1.048 1229 K CA 1.284 57.624 56.287 0.088 0.000 0.930 1229 K CB 0.100 32.650 32.500 0.083 0.000 0.716 1229 K HN 0.447 nan 8.250 nan 0.000 0.444 1230 Q N -0.051 119.799 119.800 0.084 0.000 2.388 1230 Q HA -0.002 4.338 4.340 -0.000 0.000 0.204 1230 Q C 0.541 176.580 176.000 0.065 0.000 0.946 1230 Q CA 0.159 56.001 55.803 0.063 0.000 0.880 1230 Q CB -0.111 28.662 28.738 0.057 0.000 0.997 1230 Q HN 0.118 nan 8.270 nan 0.000 0.552 1231 N N 1.435 120.204 118.700 0.115 0.000 2.415 1231 N HA 0.049 4.789 4.740 -0.000 0.000 0.246 1231 N C 0.023 175.635 175.510 0.171 0.000 1.078 1231 N CA 0.022 53.154 53.050 0.135 0.000 0.942 1231 N CB 0.459 39.053 38.487 0.177 0.000 1.140 1231 N HN 0.056 nan 8.380 nan 0.000 0.501 1232 R N 2.437 122.892 120.500 -0.075 0.000 2.535 1232 R HA 0.088 4.428 4.340 -0.000 0.000 0.323 1232 R C 0.723 176.649 176.300 -0.624 0.000 0.979 1232 R CA -0.015 55.805 56.100 -0.466 0.000 1.120 1232 R CB 0.378 30.445 30.300 -0.389 0.000 1.306 1232 R HN 0.653 nan 8.270 nan 0.000 0.540 1233 Q N 0.789 120.429 119.800 -0.267 0.000 2.234 1233 Q HA -0.152 4.188 4.340 -0.000 0.000 0.206 1233 Q C 1.532 177.426 176.000 -0.177 0.000 0.980 1233 Q CA 1.554 57.246 55.803 -0.184 0.000 0.869 1233 Q CB -0.155 28.556 28.738 -0.045 0.000 0.912 1233 Q HN 0.547 nan 8.270 nan 0.000 0.436 1234 W N -0.341 120.932 121.300 -0.045 0.000 2.387 1234 W HA -0.139 4.521 4.660 -0.000 0.000 0.272 1234 W C 0.915 177.338 176.519 -0.160 0.000 1.224 1234 W CA 0.144 57.461 57.345 -0.046 0.000 1.210 1234 W CB -0.568 28.905 29.460 0.023 0.000 1.125 1234 W HN 0.131 nan 8.180 nan 0.000 0.572 1235 L N 1.832 122.678 121.223 -0.628 0.000 2.376 1235 L HA 0.017 4.357 4.340 -0.000 0.000 0.219 1235 L C 0.276 176.745 176.870 -0.668 0.000 1.133 1235 L CA 0.912 55.382 54.840 -0.616 0.000 0.816 1235 L CB -1.547 40.108 42.059 -0.672 0.000 0.933 1235 L HN -0.111 nan 8.230 nan 0.000 0.449 1236 N N 0.423 118.815 118.700 -0.512 0.000 2.420 1236 N HA 0.140 4.879 4.740 -0.000 0.000 0.249 1236 N C -0.315 174.987 175.510 -0.346 0.000 1.033 1236 N CA -0.032 52.801 53.050 -0.362 0.000 0.944 1236 N CB 0.515 38.887 38.487 -0.192 0.000 1.113 1236 N HN 0.165 nan 8.380 nan 0.000 0.502 1237 H N -0.136 118.928 119.070 -0.011 0.000 2.533 1237 H HA 0.178 4.734 4.556 -0.000 0.000 0.343 1237 H C 0.099 175.407 175.328 -0.034 0.000 1.160 1237 H CA -0.544 55.504 56.048 -0.001 0.000 1.218 1237 H CB 1.740 31.494 29.762 -0.014 0.000 1.566 1237 H HN 0.511 nan 8.280 nan 0.000 0.522 1238 E N 2.648 122.902 120.200 0.090 0.000 2.398 1238 E HA 0.037 4.387 4.350 -0.000 0.000 0.263 1238 E C -1.502 175.049 176.600 -0.081 0.000 1.046 1238 E CA -1.239 55.155 56.400 -0.009 0.000 0.908 1238 E CB 0.743 30.442 29.700 -0.002 0.000 0.963 1238 E HN 0.272 nan 8.360 nan 0.000 0.431 1239 P HA -0.109 nan 4.420 nan 0.000 0.215 1239 P C -0.821 176.382 177.300 -0.161 0.000 1.157 1239 P CA 0.900 63.942 63.100 -0.096 0.000 0.868 1239 P CB 0.242 31.898 31.700 -0.073 0.000 0.788 1240 V N -1.636 118.156 119.914 -0.203 0.000 2.737 1240 V HA 0.180 4.300 4.120 -0.000 0.000 0.298 1240 V C -0.601 175.325 176.094 -0.281 0.000 1.163 1240 V CA -1.061 61.090 62.300 -0.248 0.000 0.925 1240 V CB 1.189 32.913 31.823 -0.165 0.000 1.037 1240 V HN 0.072 nan 8.190 nan 0.000 0.433 1241 H N 1.752 120.703 119.070 -0.198 0.000 2.815 1241 H HA 0.406 4.962 4.556 -0.000 0.000 0.350 1241 H C 0.526 175.569 175.328 -0.476 0.000 1.080 1241 H CA 0.493 56.393 56.048 -0.247 0.000 1.433 1241 H CB 1.537 31.226 29.762 -0.122 0.000 1.432 1241 H HN 0.762 nan 8.280 nan 0.000 0.592 1242 S N 1.205 116.816 115.700 -0.148 0.000 2.654 1242 S HA 0.110 4.580 4.470 -0.000 0.000 0.283 1242 S C 1.065 175.572 174.600 -0.155 0.000 1.180 1242 S CA -0.813 57.272 58.200 -0.193 0.000 1.021 1242 S CB 0.721 63.863 63.200 -0.097 0.000 1.018 1242 S HN 0.542 nan 8.310 nan 0.000 0.532 1243 N N 1.557 120.146 118.700 -0.184 0.000 2.467 1243 N HA 0.224 4.964 4.740 -0.000 0.000 0.184 1243 N C 0.958 176.440 175.510 -0.048 0.000 1.106 1243 N CA 0.913 53.855 53.050 -0.180 0.000 0.892 1243 N CB -0.317 37.852 38.487 -0.530 0.000 0.969 1243 N HN 0.938 nan 8.380 nan 0.000 0.454 1244 G N 0.846 109.620 108.800 -0.044 0.000 2.693 1244 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.226 1244 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.226 1244 G C -2.520 172.373 174.900 -0.012 0.000 1.354 1244 G CA -0.974 44.122 45.100 -0.007 0.000 0.873 1244 G HN 0.128 nan 8.290 nan 0.000 0.562 1245 P HA 0.447 nan 4.420 nan 0.000 0.264 1245 P C -0.241 177.071 177.300 0.019 0.000 1.193 1245 P CA -0.119 62.986 63.100 0.007 0.000 0.763 1245 P CB 1.228 32.938 31.700 0.017 0.000 0.810 1246 V N 3.881 123.797 119.914 0.004 0.000 3.040 1246 V HA 0.177 4.297 4.120 -0.000 0.000 0.312 1246 V C 0.955 177.047 176.094 -0.004 0.000 1.115 1246 V CA -0.690 61.620 62.300 0.016 0.000 0.998 1246 V CB 2.193 34.013 31.823 -0.005 0.000 1.042 1246 V HN 0.397 nan 8.190 nan 0.000 0.433 1247 L N 2.237 123.456 121.223 -0.005 0.000 2.141 1247 L HA -0.020 4.320 4.340 -0.000 0.000 0.209 1247 L C 1.640 178.457 176.870 -0.089 0.000 1.094 1247 L CA 2.173 56.983 54.840 -0.051 0.000 0.763 1247 L CB -0.463 41.565 42.059 -0.051 0.000 0.908 1247 L HN 0.870 nan 8.230 nan 0.000 0.437 1248 D N -0.183 120.185 120.400 -0.053 0.000 2.221 1248 D HA -0.186 4.454 4.640 -0.000 0.000 0.204 1248 D C 1.680 177.954 176.300 -0.043 0.000 0.982 1248 D CA 1.189 55.161 54.000 -0.047 0.000 0.857 1248 D CB -0.106 40.678 40.800 -0.026 0.000 0.934 1248 D HN 0.418 nan 8.370 nan 0.000 0.475 1249 D N 0.455 120.832 120.400 -0.038 0.000 2.123 1249 D HA -0.132 4.508 4.640 -0.000 0.000 0.196 1249 D C 1.361 177.650 176.300 -0.019 0.000 0.992 1249 D CA 0.930 54.914 54.000 -0.027 0.000 0.833 1249 D CB -0.195 40.591 40.800 -0.023 0.000 0.954 1249 D HN 0.283 nan 8.370 nan 0.000 0.455 1250 D N -0.125 120.256 120.400 -0.031 0.000 2.277 1250 D HA 0.001 4.641 4.640 -0.000 0.000 0.208 1250 D C 2.167 178.471 176.300 0.007 0.000 0.962 1250 D CA 0.191 54.186 54.000 -0.009 0.000 0.865 1250 D CB 0.146 40.938 40.800 -0.014 0.000 0.939 1250 D HN 0.318 nan 8.370 nan 0.000 0.510 1251 I N 0.112 120.659 120.570 -0.039 0.000 2.584 1251 I HA -0.097 4.073 4.170 -0.000 0.000 0.255 1251 I C 2.076 178.222 176.117 0.048 0.000 1.145 1251 I CA 0.399 61.709 61.300 0.018 0.000 1.462 1251 I CB 0.176 38.155 38.000 -0.035 0.000 1.102 1251 I HN -0.103 nan 8.210 nan 0.000 0.433 1252 L N 0.362 121.597 121.223 0.019 0.000 2.418 1252 L HA 0.060 4.400 4.340 -0.000 0.000 0.218 1252 L C 2.384 179.270 176.870 0.027 0.000 1.125 1252 L CA 0.480 55.332 54.840 0.020 0.000 0.835 1252 L CB -0.250 41.808 42.059 -0.001 0.000 0.953 1252 L HN 0.162 nan 8.230 nan 0.000 0.454 1253 A N -1.688 121.150 122.820 0.029 0.000 2.251 1253 A HA -0.045 4.274 4.320 -0.000 0.000 0.209 1253 A C 0.709 178.321 177.584 0.046 0.000 1.187 1253 A CA -0.045 52.011 52.037 0.032 0.000 0.823 1253 A CB -0.279 18.736 19.000 0.025 0.000 0.846 1253 A HN 0.210 nan 8.150 nan 0.000 0.486 1254 D N 0.401 120.839 120.400 0.064 0.000 2.343 1254 D HA 0.164 4.804 4.640 -0.000 0.000 0.255 1254 D C -1.723 174.613 176.300 0.060 0.000 1.187 1254 D CA -1.612 52.432 54.000 0.073 0.000 0.875 1254 D CB 1.373 42.237 40.800 0.107 0.000 1.136 1254 D HN 0.009 nan 8.370 nan 0.000 0.469 1255 P HA -0.097 nan 4.420 nan 0.000 0.218 1255 P C 0.634 177.962 177.300 0.046 0.000 1.148 1255 P CA 0.808 63.934 63.100 0.043 0.000 0.822 1255 P CB 0.403 32.121 31.700 0.031 0.000 0.784 1256 D N -0.943 119.485 120.400 0.047 0.000 2.149 1256 D HA -0.078 4.562 4.640 -0.000 0.000 0.201 1256 D C 1.950 178.291 176.300 0.069 0.000 0.972 1256 D CA 0.858 54.886 54.000 0.045 0.000 0.835 1256 D CB -0.317 40.504 40.800 0.035 0.000 0.966 1256 D HN 0.097 nan 8.370 nan 0.000 0.476 1257 I N 1.290 121.909 120.570 0.081 0.000 2.202 1257 I HA -0.189 3.981 4.170 -0.000 0.000 0.242 1257 I C 2.417 178.594 176.117 0.100 0.000 1.091 1257 I CA 0.994 62.351 61.300 0.095 0.000 1.368 1257 I CB -0.996 37.060 38.000 0.094 0.000 1.058 1257 I HN 0.006 nan 8.210 nan 0.000 0.410 1258 Q N 0.614 120.466 119.800 0.086 0.000 2.077 1258 Q HA -0.271 4.069 4.340 -0.000 0.000 0.206 1258 Q C 2.120 178.202 176.000 0.138 0.000 0.989 1258 Q CA 1.833 57.691 55.803 0.092 0.000 0.853 1258 Q CB -0.437 28.344 28.738 0.072 0.000 0.907 1258 Q HN 0.591 nan 8.270 nan 0.000 0.418 1259 E N -0.016 120.261 120.200 0.127 0.000 2.058 1259 E HA -0.199 4.150 4.350 -0.000 0.000 0.194 1259 E C 1.861 178.591 176.600 0.217 0.000 0.997 1259 E CA 1.236 57.728 56.400 0.154 0.000 0.801 1259 E CB -0.057 29.665 29.700 0.036 0.000 0.746 1259 E HN 0.318 nan 8.360 nan 0.000 0.450 1260 A N 0.853 123.783 122.820 0.183 0.000 1.902 1260 A HA -0.173 4.147 4.320 -0.000 0.000 0.217 1260 A C 2.177 179.984 177.584 0.373 0.000 1.181 1260 A CA 1.531 53.710 52.037 0.238 0.000 0.623 1260 A CB -0.629 18.502 19.000 0.218 0.000 0.818 1260 A HN 0.363 nan 8.150 nan 0.000 0.443 1261 I N -0.044 120.711 120.570 0.308 0.000 2.202 1261 I HA -0.247 3.923 4.170 -0.000 0.000 0.242 1261 I C 2.142 178.509 176.117 0.416 0.000 1.091 1261 I CA 1.277 62.770 61.300 0.323 0.000 1.368 1261 I CB -0.470 37.598 38.000 0.114 0.000 1.058 1261 I HN 0.296 nan 8.210 nan 0.000 0.410 1262 N N 0.269 119.150 118.700 0.302 0.000 2.171 1262 N HA -0.149 4.591 4.740 -0.000 0.000 0.184 1262 N C 1.557 177.148 175.510 0.135 0.000 1.021 1262 N CA 1.462 54.644 53.050 0.219 0.000 0.854 1262 N CB -0.434 38.153 38.487 0.166 0.000 0.994 1262 N HN 0.455 nan 8.380 nan 0.000 0.426 1263 H N 0.473 119.640 119.070 0.161 0.000 2.549 1263 H HA 0.275 4.831 4.556 -0.000 0.000 0.279 1263 H C -0.165 175.195 175.328 0.054 0.000 1.018 1263 H CA -0.160 55.947 56.048 0.098 0.000 1.175 1263 H CB 0.090 29.891 29.762 0.064 0.000 1.485 1263 H HN 0.111 nan 8.280 nan 0.000 0.543 1264 Q N 0.168 120.074 119.800 0.177 0.000 2.451 1264 Q HA -0.173 4.167 4.340 -0.000 0.000 0.305 1264 Q C -0.385 175.564 176.000 -0.086 0.000 1.345 1264 Q CA 0.809 56.575 55.803 -0.063 0.000 0.854 1264 Q CB -1.727 26.848 28.738 -0.270 0.000 1.162 1264 Q HN 0.398 nan 8.270 nan 0.000 0.440 1265 T N -0.536 114.048 114.554 0.050 0.000 2.884 1265 T HA 0.416 4.766 4.350 -0.000 0.000 0.277 1265 T C 0.518 175.240 174.700 0.036 0.000 0.976 1265 T CA -0.507 61.612 62.100 0.030 0.000 0.956 1265 T CB 1.394 70.297 68.868 0.057 0.000 1.113 1265 T HN 0.059 nan 8.240 nan 0.000 0.554 1266 T N 1.616 116.184 114.554 0.023 0.000 2.882 1266 T HA 0.670 5.020 4.350 -0.000 0.000 0.287 1266 T C -0.362 174.366 174.700 0.048 0.000 0.992 1266 T CA -0.439 61.682 62.100 0.034 0.000 1.076 1266 T CB 0.890 69.763 68.868 0.009 0.000 0.961 1266 T HN 0.793 nan 8.240 nan 0.000 0.490 1267 A N 2.311 125.169 122.820 0.063 0.000 2.606 1267 A HA 0.814 5.134 4.320 -0.000 0.000 0.293 1267 A C -0.723 176.885 177.584 0.039 0.000 1.082 1267 A CA -0.799 51.268 52.037 0.050 0.000 0.685 1267 A CB 1.814 20.855 19.000 0.069 0.000 1.284 1267 A HN 0.658 nan 8.150 nan 0.000 0.408 1268 T N 2.010 116.570 114.554 0.010 0.000 2.991 1268 T HA 0.605 4.955 4.350 -0.000 0.000 0.303 1268 T C -1.094 173.564 174.700 -0.069 0.000 1.015 1268 T CA -0.642 61.445 62.100 -0.022 0.000 1.007 1268 T CB 1.351 70.198 68.868 -0.035 0.000 1.034 1268 T HN 0.578 nan 8.240 nan 0.000 0.446 1269 K N 1.820 122.152 120.400 -0.113 0.000 2.482 1269 K HA 0.776 5.096 4.320 -0.000 0.000 0.257 1269 K C -1.027 175.305 176.600 -0.447 0.000 0.969 1269 K CA -0.820 55.309 56.287 -0.264 0.000 0.842 1269 K CB 2.489 34.900 32.500 -0.148 0.000 1.359 1269 K HN 0.597 nan 8.250 nan 0.000 0.441 1270 T N 1.509 115.628 114.554 -0.726 0.000 2.921 1270 T HA 0.643 4.993 4.350 -0.000 0.000 0.297 1270 T C -1.274 172.947 174.700 -0.797 0.000 1.013 1270 T CA -0.628 61.123 62.100 -0.581 0.000 0.990 1270 T CB 0.606 69.289 68.868 -0.309 0.000 1.023 1270 T HN 0.359 nan 8.240 nan 0.000 0.447 1271 Y N 0.270 120.519 120.300 -0.086 0.000 2.562 1271 Y HA 0.672 5.222 4.550 -0.000 0.000 0.345 1271 Y C 0.087 176.107 175.900 0.199 0.000 1.045 1271 Y CA -1.462 56.697 58.100 0.098 0.000 1.028 1271 Y CB 1.680 40.276 38.460 0.227 0.000 1.297 1271 Y HN 0.467 nan 8.280 nan 0.000 0.463 1272 R N 1.942 122.638 120.500 0.327 0.000 2.390 1272 R HA 0.607 4.946 4.340 -0.000 0.000 0.291 1272 R C -1.625 174.842 176.300 0.277 0.000 1.070 1272 R CA 0.018 56.272 56.100 0.256 0.000 1.014 1272 R CB 0.294 30.692 30.300 0.163 0.000 1.007 1272 R HN 0.746 nan 8.270 nan 0.000 0.466 1273 L N 4.783 126.143 121.223 0.229 0.000 2.333 1273 L HA 0.660 5.000 4.340 -0.000 0.000 0.269 1273 L C -0.370 176.551 176.870 0.085 0.000 1.010 1273 L CA -1.237 53.691 54.840 0.148 0.000 0.818 1273 L CB 1.929 44.049 42.059 0.102 0.000 1.306 1273 L HN 0.566 nan 8.230 nan 0.000 0.430 1274 V N -1.339 118.603 119.914 0.046 0.000 3.164 1274 V HA 0.411 4.531 4.120 -0.000 0.000 0.313 1274 V C 0.432 176.518 176.094 -0.012 0.000 1.188 1274 V CA -0.416 61.897 62.300 0.022 0.000 1.058 1274 V CB 1.593 33.430 31.823 0.024 0.000 1.110 1274 V HN 0.884 nan 8.190 nan 0.000 0.453 1275 N N -0.197 118.492 118.700 -0.018 0.000 2.381 1275 N HA -0.160 4.580 4.740 -0.000 0.000 0.182 1275 N C 1.301 176.737 175.510 -0.123 0.000 1.025 1275 N CA 1.548 54.572 53.050 -0.043 0.000 0.888 1275 N CB -0.469 38.017 38.487 -0.002 0.000 0.965 1275 N HN 0.940 nan 8.380 nan 0.000 0.438 1276 T N -3.572 110.911 114.554 -0.119 0.000 3.072 1276 T HA -0.043 4.307 4.350 -0.000 0.000 0.266 1276 T C 0.078 174.676 174.700 -0.170 0.000 1.127 1276 T CA 0.280 62.253 62.100 -0.211 0.000 1.107 1276 T CB -0.303 68.510 68.868 -0.091 0.000 0.910 1276 T HN 0.090 nan 8.240 nan 0.000 0.513 1277 D N 2.754 123.099 120.400 -0.091 0.000 2.374 1277 D HA 0.313 4.953 4.640 -0.000 0.000 0.240 1277 D C -0.001 176.264 176.300 -0.059 0.000 1.229 1277 D CA 0.044 54.015 54.000 -0.048 0.000 0.895 1277 D CB 0.706 41.493 40.800 -0.021 0.000 1.046 1277 D HN 0.439 nan 8.370 nan 0.000 0.498 1278 R N 0.356 120.824 120.500 -0.053 0.000 2.664 1278 R HA 0.415 4.755 4.340 -0.000 0.000 0.286 1278 R C 0.376 176.746 176.300 0.117 0.000 0.967 1278 R CA -0.734 55.335 56.100 -0.051 0.000 0.933 1278 R CB 1.120 31.232 30.300 -0.313 0.000 1.146 1278 R HN 0.148 nan 8.270 nan 0.000 0.468 1279 T N -0.748 113.875 114.554 0.115 0.000 4.039 1279 T HA -0.147 4.202 4.350 -0.000 0.000 0.352 1279 T C 0.112 174.836 174.700 0.040 0.000 0.756 1279 T CA 0.894 63.072 62.100 0.131 0.000 1.923 1279 T CB -1.891 67.140 68.868 0.272 0.000 1.848 1279 T HN 0.550 nan 8.240 nan 0.000 0.835 1280 V N -1.013 118.869 119.914 -0.053 0.000 2.686 1280 V HA 0.674 4.794 4.120 -0.000 0.000 0.295 1280 V C 1.416 177.344 176.094 -0.276 0.000 1.055 1280 V CA 1.082 63.283 62.300 -0.165 0.000 1.050 1280 V CB 0.990 32.650 31.823 -0.272 0.000 0.984 1280 V HN 1.553 nan 8.190 nan 0.000 0.482 1281 G N 3.546 112.267 108.800 -0.132 0.000 2.258 1281 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.233 1281 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.233 1281 G C 0.823 175.701 174.900 -0.036 0.000 1.006 1281 G CA 0.671 45.723 45.100 -0.081 0.000 0.620 1281 G HN 1.120 nan 8.290 nan 0.000 0.511 1282 T N 0.059 114.601 114.554 -0.020 0.000 2.857 1282 T HA 0.033 4.383 4.350 -0.000 0.000 0.266 1282 T C 2.172 176.886 174.700 0.023 0.000 1.048 1282 T CA 1.708 63.834 62.100 0.044 0.000 1.139 1282 T CB -0.072 68.860 68.868 0.108 0.000 0.874 1282 T HN 0.482 nan 8.240 nan 0.000 0.455 1283 R N 0.466 120.965 120.500 -0.002 0.000 2.115 1283 R HA -0.017 4.323 4.340 -0.000 0.000 0.230 1283 R C 2.300 178.582 176.300 -0.030 0.000 1.111 1283 R CA 0.949 57.034 56.100 -0.025 0.000 0.976 1283 R CB -0.371 29.908 30.300 -0.036 0.000 0.870 1283 R HN 0.282 nan 8.270 nan 0.000 0.445 1284 L N 0.289 121.500 121.223 -0.020 0.000 2.056 1284 L HA -0.049 4.291 4.340 -0.000 0.000 0.207 1284 L C 1.947 178.787 176.870 -0.050 0.000 1.078 1284 L CA 1.818 56.640 54.840 -0.029 0.000 0.749 1284 L CB -0.626 41.431 42.059 -0.004 0.000 0.901 1284 L HN 0.066 nan 8.230 nan 0.000 0.433 1285 S N 0.219 115.905 115.700 -0.024 0.000 2.368 1285 S HA -0.211 4.259 4.470 -0.000 0.000 0.226 1285 S C 1.926 176.506 174.600 -0.034 0.000 1.044 1285 S CA 1.479 59.670 58.200 -0.015 0.000 1.062 1285 S CB -1.300 61.927 63.200 0.045 0.000 0.931 1285 S HN 0.741 nan 8.310 nan 0.000 0.440 1286 G N 1.152 109.931 108.800 -0.036 0.000 2.476 1286 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.218 1286 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.218 1286 G C 1.558 176.410 174.900 -0.079 0.000 1.164 1286 G CA 1.169 46.230 45.100 -0.065 0.000 0.768 1286 G HN 0.623 nan 8.290 nan 0.000 0.560 1287 A N 0.425 123.197 122.820 -0.080 0.000 1.930 1287 A HA 0.104 4.424 4.320 -0.000 0.000 0.217 1287 A C 2.415 179.926 177.584 -0.121 0.000 1.175 1287 A CA 1.257 53.238 52.037 -0.094 0.000 0.627 1287 A CB -0.290 18.663 19.000 -0.078 0.000 0.815 1287 A HN 0.396 nan 8.150 nan 0.000 0.443 1288 I N -0.266 120.223 120.570 -0.135 0.000 2.202 1288 I HA -0.250 3.920 4.170 -0.000 0.000 0.242 1288 I C 2.973 179.061 176.117 -0.048 0.000 1.091 1288 I CA 1.060 62.267 61.300 -0.154 0.000 1.368 1288 I CB -0.344 37.472 38.000 -0.307 0.000 1.058 1288 I HN 0.330 nan 8.210 nan 0.000 0.410 1289 A N 0.598 123.396 122.820 -0.036 0.000 1.940 1289 A HA -0.286 4.034 4.320 -0.000 0.000 0.219 1289 A C 2.364 179.922 177.584 -0.044 0.000 1.176 1289 A CA 2.046 54.081 52.037 -0.002 0.000 0.631 1289 A CB -0.584 18.412 19.000 -0.006 0.000 0.814 1289 A HN 0.381 nan 8.150 nan 0.000 0.446 1290 K N -0.384 119.959 120.400 -0.094 0.000 2.097 1290 K HA -0.129 4.191 4.320 -0.000 0.000 0.206 1290 K C 2.035 178.537 176.600 -0.163 0.000 1.049 1290 K CA 1.636 57.850 56.287 -0.121 0.000 0.933 1290 K CB -0.125 32.301 32.500 -0.125 0.000 0.717 1290 K HN 0.443 nan 8.250 nan 0.000 0.442 1291 K N -1.042 119.203 120.400 -0.258 0.000 2.098 1291 K HA -0.060 4.260 4.320 -0.000 0.000 0.203 1291 K C 0.934 177.209 176.600 -0.542 0.000 1.051 1291 K CA 1.188 57.164 56.287 -0.518 0.000 0.957 1291 K CB 0.242 32.237 32.500 -0.842 0.000 0.738 1291 K HN 0.231 nan 8.250 nan 0.000 0.447 1292 Y N -0.572 119.748 120.300 0.034 0.000 2.563 1292 Y HA 0.225 4.775 4.550 -0.000 0.000 0.250 1292 Y C 0.810 176.757 175.900 0.078 0.000 1.126 1292 Y CA -0.255 57.890 58.100 0.076 0.000 1.231 1292 Y CB 1.297 39.843 38.460 0.145 0.000 1.288 1292 Y HN 0.166 nan 8.280 nan 0.000 0.537 1293 G N 1.416 110.310 108.800 0.158 0.000 2.645 1293 G HA2 -0.352 3.608 3.960 -0.000 0.000 0.246 1293 G HA3 -0.352 3.608 3.960 -0.000 0.000 0.246 1293 G C 0.483 175.476 174.900 0.155 0.000 1.322 1293 G CA 0.268 45.455 45.100 0.146 0.000 0.898 1293 G HN 0.295 nan 8.290 nan 0.000 0.573 1294 N N 1.066 119.851 118.700 0.142 0.000 2.331 1294 N HA -0.030 4.710 4.740 -0.000 0.000 0.180 1294 N C 1.466 177.057 175.510 0.136 0.000 1.019 1294 N CA 1.491 54.618 53.050 0.129 0.000 0.881 1294 N CB -0.128 38.427 38.487 0.114 0.000 0.972 1294 N HN 0.516 nan 8.380 nan 0.000 0.435 1295 N N -1.177 117.605 118.700 0.137 0.000 2.160 1295 N HA 0.136 4.876 4.740 -0.000 0.000 0.226 1295 N C 1.168 176.747 175.510 0.115 0.000 1.256 1295 N CA 0.089 53.208 53.050 0.116 0.000 0.890 1295 N CB 0.910 39.447 38.487 0.082 0.000 1.116 1295 N HN 0.141 nan 8.380 nan 0.000 0.517 1296 G N -0.147 108.754 108.800 0.167 0.000 2.683 1296 G HA2 -0.032 3.928 3.960 -0.000 0.000 0.213 1296 G HA3 -0.032 3.928 3.960 -0.000 0.000 0.213 1296 G C 0.122 175.032 174.900 0.015 0.000 1.142 1296 G CA -0.110 45.076 45.100 0.144 0.000 0.793 1296 G HN 0.153 nan 8.290 nan 0.000 0.534 1297 F N 1.874 121.748 119.950 -0.127 0.000 2.472 1297 F HA 0.353 4.880 4.527 -0.000 0.000 0.364 1297 F C 0.995 176.669 175.800 -0.210 0.000 1.090 1297 F CA -1.128 56.674 58.000 -0.330 0.000 1.188 1297 F CB 0.977 39.925 39.000 -0.086 0.000 1.105 1297 F HN 0.112 nan 8.300 nan 0.000 0.536 1298 E N 3.466 123.234 120.200 -0.720 0.000 2.481 1298 E HA 0.175 4.525 4.350 -0.000 0.000 0.198 1298 E C 1.082 177.230 176.600 -0.754 0.000 1.027 1298 E CA -0.173 55.896 56.400 -0.552 0.000 0.900 1298 E CB 0.374 29.875 29.700 -0.333 0.000 0.993 1298 E HN 0.797 nan 8.360 nan 0.000 0.482 1299 G N 1.178 109.017 108.800 -1.602 0.000 2.563 1299 G HA2 0.170 4.130 3.960 -0.000 0.000 0.283 1299 G HA3 0.170 4.130 3.960 -0.000 0.000 0.283 1299 G C -0.268 174.273 174.900 -0.598 0.000 1.309 1299 G CA -0.315 44.078 45.100 -1.178 0.000 1.022 1299 G HN 0.022 nan 8.290 nan 0.000 0.501 1300 N N -0.918 117.717 118.700 -0.109 0.000 2.571 1300 N HA 0.277 5.017 4.740 -0.000 0.000 0.286 1300 N C -1.445 174.165 175.510 0.166 0.000 1.138 1300 N CA -0.481 52.618 53.050 0.082 0.000 0.859 1300 N CB 1.103 39.599 38.487 0.015 0.000 1.414 1300 N HN 0.299 nan 8.380 nan 0.000 0.529 1301 I N 1.919 122.631 120.570 0.236 0.000 2.339 1301 I HA 0.298 4.468 4.170 -0.000 0.000 0.290 1301 I C 0.096 176.293 176.117 0.135 0.000 0.994 1301 I CA -0.311 61.096 61.300 0.178 0.000 1.191 1301 I CB 1.796 39.908 38.000 0.186 0.000 1.343 1301 I HN 0.262 nan 8.210 nan 0.000 0.458 1302 T N 7.661 122.273 114.554 0.096 0.000 2.756 1302 T HA 0.559 4.909 4.350 -0.000 0.000 0.290 1302 T C -0.247 174.478 174.700 0.043 0.000 0.985 1302 T CA -0.407 61.741 62.100 0.080 0.000 0.955 1302 T CB 0.524 69.425 68.868 0.055 0.000 0.930 1302 T HN 0.264 nan 8.240 nan 0.000 0.451 1303 L N 4.611 125.867 121.223 0.054 0.000 2.305 1303 L HA 0.521 4.861 4.340 -0.000 0.000 0.284 1303 L C 0.073 176.820 176.870 -0.205 0.000 1.013 1303 L CA -0.960 53.825 54.840 -0.092 0.000 0.819 1303 L CB 1.087 43.155 42.059 0.016 0.000 1.227 1303 L HN 0.496 nan 8.230 nan 0.000 0.417 1304 N N 3.583 122.061 118.700 -0.370 0.000 2.400 1304 N HA 0.594 5.334 4.740 -0.000 0.000 0.288 1304 N C -1.133 174.127 175.510 -0.416 0.000 1.024 1304 N CA -0.270 52.646 53.050 -0.223 0.000 0.894 1304 N CB 2.192 40.588 38.487 -0.151 0.000 1.173 1304 N HN 0.258 nan 8.380 nan 0.000 0.487 1305 F N 0.139 120.245 119.950 0.260 0.000 2.577 1305 F HA 0.387 4.914 4.527 -0.000 0.000 0.318 1305 F C 0.413 176.306 175.800 0.156 0.000 1.065 1305 F CA -0.803 57.335 58.000 0.230 0.000 0.929 1305 F CB 2.044 41.209 39.000 0.276 0.000 1.237 1305 F HN 0.034 nan 8.300 nan 0.000 0.468 1306 Q N 1.606 121.608 119.800 0.337 0.000 2.303 1306 Q HA 0.613 4.953 4.340 -0.000 0.000 0.267 1306 Q C -0.187 175.943 176.000 0.217 0.000 1.011 1306 Q CA -0.564 55.379 55.803 0.234 0.000 0.740 1306 Q CB 2.277 31.126 28.738 0.185 0.000 1.250 1306 Q HN 0.996 nan 8.270 nan 0.000 0.458 1307 G N 1.258 110.177 108.800 0.199 0.000 2.293 1307 G HA2 0.162 4.122 3.960 -0.000 0.000 0.282 1307 G HA3 0.162 4.122 3.960 -0.000 0.000 0.282 1307 G C -1.607 173.335 174.900 0.070 0.000 1.299 1307 G CA -0.428 44.773 45.100 0.167 0.000 1.018 1307 G HN 0.588 nan 8.290 nan 0.000 0.478 1308 A N 0.009 122.856 122.820 0.046 0.000 2.391 1308 A HA 0.852 5.172 4.320 -0.000 0.000 0.316 1308 A C 0.836 178.381 177.584 -0.064 0.000 1.381 1308 A CA 1.107 53.138 52.037 -0.011 0.000 0.998 1308 A CB -0.177 18.831 19.000 0.012 0.000 1.147 1308 A HN 2.400 nan 8.150 nan 0.000 0.545 1309 A N 2.737 125.465 122.820 -0.154 0.000 2.462 1309 A HA 0.560 4.880 4.320 -0.000 0.000 0.243 1309 A C 1.060 178.591 177.584 -0.088 0.000 1.076 1309 A CA 0.355 52.285 52.037 -0.178 0.000 0.773 1309 A CB -0.004 18.729 19.000 -0.446 0.000 1.010 1309 A HN 1.376 nan 8.150 nan 0.000 0.493 1310 G N 0.376 109.147 108.800 -0.049 0.000 2.516 1310 G HA2 0.416 4.376 3.960 -0.000 0.000 0.276 1310 G HA3 0.416 4.376 3.960 -0.000 0.000 0.276 1310 G C -0.003 174.895 174.900 -0.003 0.000 1.390 1310 G CA -0.584 44.484 45.100 -0.053 0.000 1.050 1310 G HN 0.827 nan 8.290 nan 0.000 0.519 1311 Q N -0.639 119.158 119.800 -0.005 0.000 2.395 1311 Q HA 0.176 4.516 4.340 -0.000 0.000 0.271 1311 Q C 0.451 176.532 176.000 0.136 0.000 1.026 1311 Q CA 0.820 56.662 55.803 0.066 0.000 0.900 1311 Q CB 0.881 29.691 28.738 0.120 0.000 1.266 1311 Q HN 0.604 nan 8.270 nan 0.000 0.430 1312 S N 0.436 116.266 115.700 0.216 0.000 3.635 1312 S HA -0.220 4.250 4.470 -0.000 0.000 0.328 1312 S C -0.171 174.509 174.600 0.134 0.000 1.135 1312 S CA 0.462 58.778 58.200 0.193 0.000 0.942 1312 S CB -1.778 61.528 63.200 0.175 0.000 0.930 1312 S HN 0.603 nan 8.310 nan 0.000 0.512 1313 F N 2.169 122.116 119.950 -0.004 0.000 2.578 1313 F HA 0.423 4.950 4.527 -0.000 0.000 0.381 1313 F C 1.342 177.127 175.800 -0.025 0.000 1.069 1313 F CA 1.193 59.166 58.000 -0.045 0.000 1.231 1313 F CB 0.155 39.111 39.000 -0.073 0.000 1.086 1313 F HN 0.465 nan 8.300 nan 0.000 0.564 1314 G N 3.994 112.406 108.800 -0.646 0.000 2.153 1314 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.252 1314 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.252 1314 G C 0.244 175.023 174.900 -0.203 0.000 0.994 1314 G CA -0.011 44.814 45.100 -0.458 0.000 0.698 1314 G HN 1.334 nan 8.290 nan 0.000 0.521 1315 A N -0.714 122.011 122.820 -0.158 0.000 2.498 1315 A HA 0.619 4.939 4.320 -0.000 0.000 0.239 1315 A C 1.077 178.579 177.584 -0.136 0.000 1.068 1315 A CA 0.940 52.841 52.037 -0.226 0.000 0.766 1315 A CB -0.260 18.648 19.000 -0.154 0.000 1.003 1315 A HN 1.502 nan 8.150 nan 0.000 0.497 1316 F N -0.659 119.269 119.950 -0.036 0.000 3.093 1316 F HA -0.223 4.304 4.527 -0.000 0.000 0.287 1316 F C 0.712 176.494 175.800 -0.029 0.000 0.882 1316 F CA 0.855 58.836 58.000 -0.032 0.000 1.063 1316 F CB -2.107 36.876 39.000 -0.028 0.000 1.097 1316 F HN 0.768 nan 8.300 nan 0.000 0.604 1317 N N 1.105 119.819 118.700 0.023 0.000 2.441 1317 N HA 0.466 5.206 4.740 -0.000 0.000 0.251 1317 N C -0.187 175.359 175.510 0.059 0.000 1.242 1317 N CA 0.321 53.385 53.050 0.023 0.000 0.898 1317 N CB 0.503 38.981 38.487 -0.015 0.000 1.100 1317 N HN 0.328 nan 8.380 nan 0.000 0.443 1318 L N 1.088 122.352 121.223 0.069 0.000 2.319 1318 L HA 0.389 4.729 4.340 -0.000 0.000 0.267 1318 L C -0.212 176.725 176.870 0.112 0.000 1.011 1318 L CA -1.191 53.704 54.840 0.092 0.000 0.818 1318 L CB 1.495 43.609 42.059 0.091 0.000 1.316 1318 L HN 0.498 nan 8.230 nan 0.000 0.432 1319 D N 0.910 121.385 120.400 0.125 0.000 2.506 1319 D HA 0.210 4.850 4.640 -0.000 0.000 0.234 1319 D C 1.019 177.454 176.300 0.225 0.000 1.143 1319 D CA 1.648 55.732 54.000 0.140 0.000 0.871 1319 D CB 0.964 41.834 40.800 0.117 0.000 1.190 1319 D HN 0.815 nan 8.370 nan 0.000 0.459 1320 G N 1.445 110.365 108.800 0.199 0.000 2.179 1320 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.260 1320 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.260 1320 G C 0.277 175.352 174.900 0.291 0.000 0.977 1320 G CA 0.290 45.554 45.100 0.274 0.000 0.641 1320 G HN 0.455 nan 8.290 nan 0.000 0.533 1321 M N 1.286 121.004 119.600 0.197 0.000 2.181 1321 M HA 0.464 4.944 4.480 -0.000 0.000 0.323 1321 M C -0.633 175.743 176.300 0.127 0.000 1.004 1321 M CA -0.225 55.166 55.300 0.152 0.000 0.941 1321 M CB 2.218 34.882 32.600 0.107 0.000 1.579 1321 M HN 0.012 nan 8.290 nan 0.000 0.427 1322 T N 4.905 119.540 114.554 0.135 0.000 2.791 1322 T HA 0.584 4.934 4.350 -0.000 0.000 0.288 1322 T C -0.405 174.401 174.700 0.177 0.000 0.999 1322 T CA -0.554 61.630 62.100 0.140 0.000 0.952 1322 T CB 0.636 69.590 68.868 0.142 0.000 0.938 1322 T HN 0.478 nan 8.240 nan 0.000 0.444 1323 L N 3.695 125.038 121.223 0.200 0.000 2.295 1323 L HA 0.544 4.884 4.340 -0.000 0.000 0.285 1323 L C -0.121 176.994 176.870 0.409 0.000 1.035 1323 L CA -0.903 54.135 54.840 0.329 0.000 0.806 1323 L CB 1.082 43.287 42.059 0.244 0.000 1.214 1323 L HN 0.691 nan 8.230 nan 0.000 0.426 1324 H N 3.214 122.510 119.070 0.377 0.000 2.609 1324 H HA 0.601 5.157 4.556 -0.000 0.000 0.344 1324 H C -1.516 174.021 175.328 0.348 0.000 1.040 1324 H CA -0.678 55.540 56.048 0.284 0.000 1.216 1324 H CB 1.855 31.708 29.762 0.153 0.000 1.529 1324 H HN 0.426 nan 8.280 nan 0.000 0.519 1325 L N 4.606 125.891 121.223 0.104 0.000 2.376 1325 L HA 0.355 4.695 4.340 -0.000 0.000 0.275 1325 L C -1.109 175.743 176.870 -0.030 0.000 0.987 1325 L CA -0.356 54.529 54.840 0.076 0.000 0.828 1325 L CB 1.825 43.720 42.059 -0.274 0.000 1.249 1325 L HN 0.775 nan 8.230 nan 0.000 0.409 1326 Q N 4.236 124.081 119.800 0.074 0.000 2.340 1326 Q HA 0.662 5.002 4.340 -0.000 0.000 0.259 1326 Q C -0.074 175.794 176.000 -0.220 0.000 0.964 1326 Q CA 0.347 56.128 55.803 -0.036 0.000 0.900 1326 Q CB 1.069 29.867 28.738 0.099 0.000 1.228 1326 Q HN 1.012 nan 8.270 nan 0.000 0.449 1327 G N 3.409 111.929 108.800 -0.466 0.000 2.174 1327 G HA2 -0.084 3.876 3.960 -0.000 0.000 0.070 1327 G HA3 -0.084 3.876 3.960 -0.000 0.000 0.070 1327 G C -1.280 173.481 174.900 -0.231 0.000 1.120 1327 G CA 0.041 44.824 45.100 -0.529 0.000 1.194 1327 G HN 0.703 nan 8.290 nan 0.000 0.435 1328 E N -0.343 119.779 120.200 -0.130 0.000 2.449 1328 E HA 0.725 5.075 4.350 -0.000 0.000 0.278 1328 E C -0.754 175.752 176.600 -0.157 0.000 0.992 1328 E CA -0.603 55.730 56.400 -0.111 0.000 0.807 1328 E CB 1.910 31.578 29.700 -0.054 0.000 1.350 1328 E HN 1.795 nan 8.360 nan 0.000 0.462 1329 A N 1.175 123.908 122.820 -0.144 0.000 2.475 1329 A HA 0.503 4.823 4.320 -0.000 0.000 0.301 1329 A C -0.571 176.953 177.584 -0.100 0.000 1.059 1329 A CA -0.852 51.089 52.037 -0.161 0.000 0.710 1329 A CB 1.390 20.272 19.000 -0.196 0.000 1.288 1329 A HN 0.630 nan 8.150 nan 0.000 0.408 1330 N N 0.246 118.893 118.700 -0.089 0.000 2.383 1330 N HA 0.107 4.847 4.740 -0.000 0.000 0.288 1330 N C -0.638 174.787 175.510 -0.141 0.000 1.320 1330 N CA -0.250 52.739 53.050 -0.100 0.000 0.941 1330 N CB 0.079 38.516 38.487 -0.084 0.000 1.078 1330 N HN 0.699 nan 8.380 nan 0.000 0.509 1331 D N -0.252 119.980 120.400 -0.279 0.000 2.368 1331 D HA 0.065 4.705 4.640 -0.000 0.000 0.240 1331 D C -0.154 175.919 176.300 -0.379 0.000 1.169 1331 D CA 0.520 54.191 54.000 -0.549 0.000 0.906 1331 D CB 0.018 40.073 40.800 -1.241 0.000 1.187 1331 D HN 0.466 nan 8.370 nan 0.000 0.435 1332 Y N -2.601 117.710 120.300 0.018 0.000 3.477 1332 Y HA -0.233 4.317 4.550 -0.000 0.000 0.216 1332 Y C 0.108 176.019 175.900 0.018 0.000 1.296 1332 Y CA -0.716 57.391 58.100 0.010 0.000 1.535 1332 Y CB -2.165 36.302 38.460 0.011 0.000 1.482 1332 Y HN 0.018 nan 8.280 nan 0.000 0.597 1333 V N 0.736 120.730 119.914 0.134 0.000 2.540 1333 V HA 0.258 4.378 4.120 -0.000 0.000 0.297 1333 V C 1.510 177.645 176.094 0.069 0.000 1.024 1333 V CA 1.182 63.567 62.300 0.142 0.000 1.105 1333 V CB 0.788 32.706 31.823 0.158 0.000 0.938 1333 V HN 0.990 nan 8.190 nan 0.000 0.482 1334 G N 3.535 112.349 108.800 0.023 0.000 2.168 1334 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.257 1334 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.257 1334 G C 0.441 175.239 174.900 -0.170 0.000 0.997 1334 G CA 0.597 45.652 45.100 -0.076 0.000 0.708 1334 G HN 0.873 nan 8.290 nan 0.000 0.520 1335 K N 0.397 120.697 120.400 -0.166 0.000 2.511 1335 K HA 0.262 4.582 4.320 -0.000 0.000 0.277 1335 K C 1.671 177.866 176.600 -0.676 0.000 1.025 1335 K CA 1.157 57.277 56.287 -0.278 0.000 1.112 1335 K CB -0.503 31.872 32.500 -0.209 0.000 0.859 1335 K HN 1.548 nan 8.250 nan 0.000 0.485 1336 G N 4.042 112.482 108.800 -0.600 0.000 2.187 1336 G HA2 -0.345 3.615 3.960 -0.000 0.000 0.261 1336 G HA3 -0.345 3.615 3.960 -0.000 0.000 0.261 1336 G C 0.242 174.900 174.900 -0.403 0.000 1.000 1336 G CA 0.643 45.343 45.100 -0.666 0.000 0.718 1336 G HN 0.747 nan 8.290 nan 0.000 0.519 1337 M N -0.043 119.379 119.600 -0.297 0.000 2.245 1337 M HA 0.242 4.722 4.480 -0.000 0.000 0.335 1337 M C 1.259 177.530 176.300 -0.050 0.000 1.155 1337 M CA 1.551 56.767 55.300 -0.141 0.000 1.055 1337 M CB 0.355 32.888 32.600 -0.113 0.000 1.670 1337 M HN 0.289 nan 8.290 nan 0.000 0.447 1338 N N 1.740 120.445 118.700 0.010 0.000 2.325 1338 N HA 0.375 5.115 4.740 -0.000 0.000 0.220 1338 N C -0.258 175.277 175.510 0.041 0.000 1.176 1338 N CA 0.491 53.566 53.050 0.042 0.000 0.861 1338 N CB 1.038 39.579 38.487 0.090 0.000 1.230 1338 N HN 0.760 nan 8.380 nan 0.000 0.479 1339 G N -1.691 107.135 108.800 0.043 0.000 2.561 1339 G HA2 0.505 4.465 3.960 -0.000 0.000 0.310 1339 G HA3 0.505 4.465 3.960 -0.000 0.000 0.310 1339 G C -0.291 174.639 174.900 0.050 0.000 1.292 1339 G CA -0.090 45.039 45.100 0.048 0.000 0.811 1339 G HN 0.650 nan 8.290 nan 0.000 0.482 1340 G N -1.021 107.818 108.800 0.065 0.000 2.693 1340 G HA2 0.194 4.154 3.960 -0.000 0.000 0.226 1340 G HA3 0.194 4.154 3.960 -0.000 0.000 0.226 1340 G C -0.487 174.446 174.900 0.054 0.000 1.354 1340 G CA 0.307 45.451 45.100 0.074 0.000 0.873 1340 G HN 1.086 nan 8.290 nan 0.000 0.562 1341 E N -1.115 119.121 120.200 0.060 0.000 2.340 1341 E HA 0.663 5.013 4.350 -0.000 0.000 0.273 1341 E C -0.873 175.765 176.600 0.063 0.000 0.891 1341 E CA -0.853 55.572 56.400 0.042 0.000 0.757 1341 E CB 2.513 32.234 29.700 0.037 0.000 1.231 1341 E HN 0.529 nan 8.360 nan 0.000 0.439 1342 I N 1.832 122.439 120.570 0.062 0.000 2.478 1342 I HA 0.306 4.476 4.170 -0.000 0.000 0.287 1342 I C -1.056 175.142 176.117 0.135 0.000 1.042 1342 I CA -0.966 60.414 61.300 0.133 0.000 1.067 1342 I CB 1.955 40.041 38.000 0.143 0.000 1.233 1342 I HN 0.189 nan 8.210 nan 0.000 0.431 1343 V N 7.496 127.478 119.914 0.114 0.000 2.444 1343 V HA 0.535 4.655 4.120 -0.000 0.000 0.294 1343 V C -0.210 175.793 176.094 -0.151 0.000 1.022 1343 V CA -0.420 61.883 62.300 0.004 0.000 0.850 1343 V CB 2.071 33.850 31.823 -0.073 0.000 0.992 1343 V HN 0.476 nan 8.190 nan 0.000 0.426 1344 I N 6.065 126.584 120.570 -0.085 0.000 2.478 1344 I HA 0.667 4.837 4.170 -0.000 0.000 0.287 1344 I C -0.690 175.373 176.117 -0.091 0.000 1.042 1344 I CA -0.837 60.395 61.300 -0.112 0.000 1.067 1344 I CB 2.111 40.085 38.000 -0.042 0.000 1.233 1344 I HN 0.516 nan 8.210 nan 0.000 0.431 1345 V N 4.160 123.996 119.914 -0.131 0.000 3.078 1345 V HA 0.730 4.850 4.120 -0.000 0.000 0.311 1345 V C -2.794 173.237 176.094 -0.105 0.000 1.138 1345 V CA -2.202 60.051 62.300 -0.079 0.000 1.007 1345 V CB 1.924 33.714 31.823 -0.055 0.000 1.045 1345 V HN 0.404 nan 8.190 nan 0.000 0.432 1346 P HA 0.215 nan 4.420 nan 0.000 0.274 1346 P C -0.533 176.647 177.300 -0.201 0.000 1.260 1346 P CA -0.026 62.998 63.100 -0.127 0.000 0.793 1346 P CB 0.174 31.847 31.700 -0.044 0.000 1.048 1347 H N 0.577 119.644 119.070 -0.005 0.000 2.815 1347 H HA 0.028 4.584 4.556 -0.000 0.000 0.350 1347 H C -1.269 174.017 175.328 -0.071 0.000 1.080 1347 H CA -0.902 55.135 56.048 -0.019 0.000 1.433 1347 H CB -0.305 29.451 29.762 -0.010 0.000 1.432 1347 H HN 0.354 nan 8.280 nan 0.000 0.592 1348 P HA -0.097 nan 4.420 nan 0.000 0.226 1348 P C 0.635 177.914 177.300 -0.036 0.000 1.153 1348 P CA 1.024 64.120 63.100 -0.007 0.000 0.777 1348 P CB 0.308 32.014 31.700 0.009 0.000 0.794 1349 Q N 0.212 120.005 119.800 -0.012 0.000 2.311 1349 Q HA 0.165 4.505 4.340 -0.000 0.000 0.203 1349 Q C 1.149 177.095 176.000 -0.090 0.000 0.954 1349 Q CA 0.189 55.970 55.803 -0.037 0.000 0.885 1349 Q CB -0.733 27.993 28.738 -0.019 0.000 0.963 1349 Q HN 0.093 nan 8.270 nan 0.000 0.471 1350 A N 1.491 124.216 122.820 -0.158 0.000 2.600 1350 A HA -0.030 4.290 4.320 -0.000 0.000 0.244 1350 A C 0.325 177.679 177.584 -0.383 0.000 1.016 1350 A CA 0.333 52.133 52.037 -0.394 0.000 0.778 1350 A CB 0.066 18.506 19.000 -0.933 0.000 0.920 1350 A HN 0.256 nan 8.150 nan 0.000 0.513 1351 S N 2.407 117.992 115.700 -0.191 0.000 3.149 1351 S HA 0.480 4.949 4.470 -0.000 0.000 0.228 1351 S C -0.556 174.100 174.600 0.094 0.000 1.393 1351 S CA -0.076 58.102 58.200 -0.035 0.000 1.224 1351 S CB -1.209 62.023 63.200 0.055 0.000 1.112 1351 S HN 0.792 nan 8.310 nan 0.000 0.502 1352 F N -1.899 118.069 119.950 0.031 0.000 2.719 1352 F HA 0.763 5.290 4.527 -0.000 0.000 0.309 1352 F C -0.656 175.159 175.800 0.025 0.000 1.138 1352 F CA -2.082 55.935 58.000 0.028 0.000 0.943 1352 F CB 0.440 39.456 39.000 0.028 0.000 1.304 1352 F HN -0.061 nan 8.300 nan 0.000 0.445 1353 A N 2.874 125.885 122.820 0.318 0.000 2.484 1353 A HA 0.510 4.830 4.320 -0.000 0.000 0.268 1353 A C -1.983 175.816 177.584 0.357 0.000 1.114 1353 A CA -1.128 51.041 52.037 0.221 0.000 0.780 1353 A CB -0.314 18.774 19.000 0.147 0.000 1.061 1353 A HN 0.671 nan 8.150 nan 0.000 0.505 1354 P HA -0.224 nan 4.420 nan 0.000 0.216 1354 P C 1.392 178.807 177.300 0.192 0.000 1.150 1354 P CA 1.591 64.865 63.100 0.292 0.000 0.843 1354 P CB 0.209 31.993 31.700 0.139 0.000 0.787 1355 E N -0.527 119.751 120.200 0.131 0.000 2.347 1355 E HA -0.154 4.196 4.350 -0.000 0.000 0.196 1355 E C 0.445 177.077 176.600 0.053 0.000 1.008 1355 E CA 1.124 57.574 56.400 0.082 0.000 0.852 1355 E CB -0.802 28.939 29.700 0.069 0.000 0.783 1355 E HN 0.251 nan 8.360 nan 0.000 0.505 1356 D N 0.910 121.346 120.400 0.061 0.000 2.325 1356 D HA 0.148 4.788 4.640 -0.000 0.000 0.225 1356 D C -0.290 175.983 176.300 -0.046 0.000 1.096 1356 D CA 0.057 54.069 54.000 0.020 0.000 0.844 1356 D CB 0.060 40.882 40.800 0.037 0.000 0.925 1356 D HN 0.150 nan 8.370 nan 0.000 0.513 1357 N N 0.172 118.835 118.700 -0.062 0.000 2.249 1357 N HA 0.178 4.918 4.740 -0.000 0.000 0.296 1357 N C -0.494 174.926 175.510 -0.149 0.000 1.051 1357 N CA -0.523 52.409 53.050 -0.197 0.000 0.815 1357 N CB 3.263 41.462 38.487 -0.480 0.000 1.487 1357 N HN -0.246 nan 8.380 nan 0.000 0.475 1358 V N 2.583 122.379 119.914 -0.197 0.000 2.617 1358 V HA 0.006 4.126 4.120 -0.000 0.000 0.304 1358 V C 1.306 177.326 176.094 -0.124 0.000 1.040 1358 V CA 0.825 63.031 62.300 -0.158 0.000 1.149 1358 V CB 0.525 32.225 31.823 -0.205 0.000 0.914 1358 V HN 0.751 nan 8.190 nan 0.000 0.487 1359 I N 4.255 124.781 120.570 -0.073 0.000 4.774 1359 I HA 0.356 4.526 4.170 -0.000 0.000 0.330 1359 I C 0.264 176.350 176.117 -0.052 0.000 1.287 1359 I CA 0.193 61.465 61.300 -0.047 0.000 1.311 1359 I CB 0.644 38.640 38.000 -0.006 0.000 1.315 1359 I HN 0.660 nan 8.210 nan 0.000 0.459 1360 I N -2.698 117.848 120.570 -0.040 0.000 3.074 1360 I HA 0.759 4.929 4.170 -0.000 0.000 0.310 1360 I C 0.142 176.245 176.117 -0.023 0.000 1.153 1360 I CA -0.824 60.462 61.300 -0.022 0.000 0.993 1360 I CB 1.435 39.458 38.000 0.038 0.000 1.237 1360 I HN -0.104 nan 8.210 nan 0.000 0.443 1361 G N 1.701 110.483 108.800 -0.031 0.000 2.945 1361 G HA2 0.336 4.296 3.960 -0.000 0.000 0.156 1361 G HA3 0.336 4.296 3.960 -0.000 0.000 0.156 1361 G C -0.426 174.465 174.900 -0.015 0.000 1.375 1361 G CA -0.666 44.401 45.100 -0.055 0.000 1.039 1361 G HN 0.694 nan 8.290 nan 0.000 0.586 1362 N N -0.008 118.650 118.700 -0.070 0.000 2.483 1362 N HA 0.281 5.021 4.740 -0.000 0.000 0.269 1362 N C 0.111 175.625 175.510 0.007 0.000 1.209 1362 N CA 0.227 53.271 53.050 -0.009 0.000 0.969 1362 N CB 0.711 39.203 38.487 0.009 0.000 1.173 1362 N HN 0.441 nan 8.380 nan 0.000 0.475 1363 T N -0.442 114.153 114.554 0.069 0.000 3.946 1363 T HA -0.164 4.186 4.350 -0.000 0.000 0.356 1363 T C 0.011 174.768 174.700 0.095 0.000 0.758 1363 T CA 0.343 62.480 62.100 0.061 0.000 1.911 1363 T CB -1.884 67.054 68.868 0.118 0.000 1.835 1363 T HN 0.574 nan 8.240 nan 0.000 0.807 1364 C N 1.182 120.498 119.300 0.025 0.000 2.601 1364 C HA 0.487 4.947 4.460 -0.000 0.000 0.409 1364 C C 1.901 176.735 174.990 -0.261 0.000 1.293 1364 C CA -0.592 58.401 59.018 -0.043 0.000 2.101 1364 C CB -0.296 27.487 27.740 0.072 0.000 2.639 1364 C HN 0.867 nan 8.230 nan 0.000 0.592 1365 L N 0.909 122.024 121.223 -0.180 0.000 4.040 1365 L HA -0.205 4.135 4.340 -0.000 0.000 0.410 1365 L C 0.331 177.150 176.870 -0.085 0.000 1.187 1365 L CA 0.240 54.957 54.840 -0.205 0.000 0.956 1365 L CB -1.820 40.019 42.059 -0.366 0.000 2.022 1365 L HN 0.859 nan 8.230 nan 0.000 0.897 1366 Y N 1.249 121.442 120.300 -0.178 0.000 2.729 1366 Y HA 0.201 4.751 4.550 -0.000 0.000 0.331 1366 Y C 1.619 177.425 175.900 -0.157 0.000 1.208 1366 Y CA 0.604 58.619 58.100 -0.141 0.000 1.521 1366 Y CB 0.732 39.130 38.460 -0.103 0.000 1.233 1366 Y HN 0.353 nan 8.280 nan 0.000 0.539 1367 G N 3.605 112.346 108.800 -0.099 0.000 2.175 1367 G HA2 -0.348 3.612 3.960 -0.000 0.000 0.265 1367 G HA3 -0.348 3.612 3.960 -0.000 0.000 0.265 1367 G C 0.285 175.095 174.900 -0.150 0.000 0.979 1367 G CA 0.109 45.064 45.100 -0.242 0.000 0.663 1367 G HN 1.186 nan 8.290 nan 0.000 0.533 1368 A N -0.670 122.080 122.820 -0.117 0.000 2.561 1368 A HA 0.554 4.874 4.320 -0.000 0.000 0.234 1368 A C 1.228 178.776 177.584 -0.060 0.000 1.055 1368 A CA 1.728 53.701 52.037 -0.107 0.000 0.756 1368 A CB 0.406 19.338 19.000 -0.114 0.000 0.986 1368 A HN 0.849 nan 8.150 nan 0.000 0.505 1369 T N 0.801 115.331 114.554 -0.041 0.000 3.200 1369 T HA 0.520 4.870 4.350 -0.000 0.000 0.284 1369 T C 0.384 175.083 174.700 -0.002 0.000 1.009 1369 T CA 0.943 63.034 62.100 -0.015 0.000 0.907 1369 T CB -0.673 68.192 68.868 -0.006 0.000 1.120 1369 T HN 1.984 nan 8.240 nan 0.000 0.534 1370 G N -0.672 108.123 108.800 -0.009 0.000 2.369 1370 G HA2 0.476 4.436 3.960 -0.000 0.000 0.293 1370 G HA3 0.476 4.436 3.960 -0.000 0.000 0.293 1370 G C -0.142 174.753 174.900 -0.009 0.000 1.301 1370 G CA -0.080 45.021 45.100 0.001 0.000 0.913 1370 G HN 0.906 nan 8.290 nan 0.000 0.540 1371 G N -0.906 107.895 108.800 0.001 0.000 2.746 1371 G HA2 0.165 4.125 3.960 -0.000 0.000 0.685 1371 G HA3 0.165 4.125 3.960 -0.000 0.000 0.685 1371 G C -0.772 174.103 174.900 -0.043 0.000 1.350 1371 G CA 0.073 45.169 45.100 -0.007 0.000 0.837 1371 G HN 1.312 nan 8.290 nan 0.000 0.564 1372 N N -0.604 118.055 118.700 -0.068 0.000 2.346 1372 N HA 0.541 5.281 4.740 -0.000 0.000 0.289 1372 N C -1.130 174.185 175.510 -0.326 0.000 1.027 1372 N CA -0.592 52.338 53.050 -0.200 0.000 0.864 1372 N CB 2.511 40.923 38.487 -0.125 0.000 1.370 1372 N HN 0.627 nan 8.380 nan 0.000 0.481 1373 L N 3.017 123.968 121.223 -0.454 0.000 2.356 1373 L HA 0.529 4.869 4.340 -0.000 0.000 0.277 1373 L C -1.739 174.849 176.870 -0.470 0.000 0.996 1373 L CA -0.500 54.161 54.840 -0.299 0.000 0.822 1373 L CB 0.849 42.883 42.059 -0.042 0.000 1.256 1373 L HN 0.436 nan 8.230 nan 0.000 0.413 1374 Y N 4.079 124.455 120.300 0.126 0.000 2.361 1374 Y HA 0.790 5.340 4.550 -0.000 0.000 0.337 1374 Y C -0.012 176.011 175.900 0.204 0.000 0.965 1374 Y CA -0.822 57.422 58.100 0.240 0.000 1.091 1374 Y CB 2.154 40.788 38.460 0.290 0.000 1.182 1374 Y HN 0.682 nan 8.280 nan 0.000 0.450 1375 A N 2.447 125.514 122.820 0.410 0.000 2.385 1375 A HA 0.390 4.710 4.320 -0.000 0.000 0.290 1375 A C -0.719 177.053 177.584 0.313 0.000 1.094 1375 A CA -0.877 51.310 52.037 0.252 0.000 0.729 1375 A CB 0.681 19.755 19.000 0.123 0.000 1.194 1375 A HN 0.709 nan 8.150 nan 0.000 0.442 1376 N N 1.859 120.678 118.700 0.198 0.000 3.210 1376 N HA 0.424 5.164 4.740 -0.000 0.000 0.314 1376 N C 0.358 175.940 175.510 0.120 0.000 1.291 1376 N CA 1.216 54.358 53.050 0.154 0.000 1.202 1376 N CB -0.109 38.403 38.487 0.041 0.000 1.475 1376 N HN 1.056 nan 8.380 nan 0.000 0.554 1377 G N -0.406 108.456 108.800 0.103 0.000 2.348 1377 G HA2 0.249 4.209 3.960 -0.000 0.000 0.296 1377 G HA3 0.249 4.209 3.960 -0.000 0.000 0.296 1377 G C -1.251 173.647 174.900 -0.003 0.000 1.258 1377 G CA -0.920 44.214 45.100 0.058 0.000 0.868 1377 G HN 0.224 nan 8.290 nan 0.000 0.488 1378 R N -0.356 120.122 120.500 -0.035 0.000 2.532 1378 R HA 0.736 5.076 4.340 -0.000 0.000 0.272 1378 R C 0.104 176.356 176.300 -0.081 0.000 1.032 1378 R CA 0.004 56.061 56.100 -0.072 0.000 1.089 1378 R CB 1.659 31.916 30.300 -0.071 0.000 1.098 1378 R HN 0.775 nan 8.270 nan 0.000 0.526 1379 A N 0.618 123.375 122.820 -0.105 0.000 2.309 1379 A HA 0.732 5.052 4.320 -0.000 0.000 0.317 1379 A C 0.198 177.774 177.584 -0.012 0.000 1.134 1379 A CA -0.349 51.657 52.037 -0.052 0.000 0.866 1379 A CB 1.274 20.214 19.000 -0.101 0.000 1.329 1379 A HN 0.738 nan 8.150 nan 0.000 0.477 1380 G N -0.618 108.206 108.800 0.041 0.000 2.666 1380 G HA2 0.483 4.443 3.960 -0.000 0.000 0.207 1380 G HA3 0.483 4.443 3.960 -0.000 0.000 0.207 1380 G C -0.175 174.772 174.900 0.078 0.000 1.481 1380 G CA -0.363 44.759 45.100 0.036 0.000 1.071 1380 G HN 0.761 nan 8.290 nan 0.000 0.572 1381 E N -0.328 119.925 120.200 0.089 0.000 2.342 1381 E HA 0.257 4.607 4.350 -0.000 0.000 0.257 1381 E C -0.142 176.546 176.600 0.147 0.000 1.150 1381 E CA -0.625 55.849 56.400 0.123 0.000 0.926 1381 E CB 0.636 30.434 29.700 0.164 0.000 1.074 1381 E HN 0.456 nan 8.360 nan 0.000 0.449 1382 R N -0.422 120.170 120.500 0.155 0.000 3.502 1382 R HA -0.226 4.114 4.340 -0.000 0.000 0.266 1382 R C -0.237 176.113 176.300 0.083 0.000 1.077 1382 R CA 0.196 56.340 56.100 0.074 0.000 0.718 1382 R CB -1.928 28.315 30.300 -0.096 0.000 1.120 1382 R HN 0.414 nan 8.270 nan 0.000 0.457 1383 F N 1.003 120.973 119.950 0.032 0.000 2.602 1383 F HA 0.117 4.644 4.527 -0.000 0.000 0.367 1383 F C 1.373 177.200 175.800 0.045 0.000 1.126 1383 F CA 0.858 58.880 58.000 0.037 0.000 1.321 1383 F CB 0.418 39.444 39.000 0.044 0.000 1.094 1383 F HN 0.363 nan 8.300 nan 0.000 0.594 1384 A N 3.756 126.117 122.820 -0.765 0.000 2.748 1384 A HA -0.220 4.100 4.320 -0.000 0.000 0.297 1384 A C 1.163 178.685 177.584 -0.103 0.000 1.508 1384 A CA 0.798 52.588 52.037 -0.411 0.000 0.799 1384 A CB -2.642 16.228 19.000 -0.217 0.000 1.011 1384 A HN 0.950 nan 8.150 nan 0.000 0.500 1385 V N -0.336 119.533 119.914 -0.076 0.000 2.244 1385 V HA -0.273 3.846 4.120 -0.000 0.000 0.248 1385 V C 2.052 178.228 176.094 0.137 0.000 1.038 1385 V CA 2.091 64.390 62.300 -0.001 0.000 1.026 1385 V CB -0.515 31.236 31.823 -0.120 0.000 0.660 1385 V HN 0.730 nan 8.190 nan 0.000 0.472 1386 R N 1.634 122.262 120.500 0.214 0.000 3.534 1386 R HA 0.250 4.590 4.340 -0.000 0.000 0.312 1386 R C 0.041 176.396 176.300 0.091 0.000 1.419 1386 R CA -0.375 55.840 56.100 0.191 0.000 1.262 1386 R CB -1.084 29.302 30.300 0.144 0.000 1.437 1386 R HN 0.656 nan 8.270 nan 0.000 0.627 1387 N N -0.580 118.156 118.700 0.060 0.000 2.483 1387 N HA -0.016 4.724 4.740 -0.000 0.000 0.264 1387 N C 0.410 175.941 175.510 0.034 0.000 1.197 1387 N CA 0.583 53.639 53.050 0.011 0.000 0.927 1387 N CB 1.070 39.538 38.487 -0.031 0.000 1.065 1387 N HN -0.137 nan 8.380 nan 0.000 0.461 1388 S N 1.736 117.447 115.700 0.017 0.000 2.566 1388 S HA 0.133 4.603 4.470 -0.000 0.000 0.234 1388 S C 0.820 175.432 174.600 0.020 0.000 1.075 1388 S CA 0.238 58.458 58.200 0.033 0.000 0.926 1388 S CB 0.444 63.664 63.200 0.033 0.000 0.811 1388 S HN 0.516 nan 8.310 nan 0.000 0.518 1389 V N 0.389 120.307 119.914 0.005 0.000 3.432 1389 V HA 0.352 4.472 4.120 -0.000 0.000 0.290 1389 V C 0.767 176.861 176.094 0.000 0.000 1.591 1389 V CA -0.176 62.128 62.300 0.007 0.000 1.069 1389 V CB 0.059 31.887 31.823 0.008 0.000 0.892 1389 V HN 0.322 nan 8.190 nan 0.000 0.436 1390 G N 1.025 109.816 108.800 -0.016 0.000 2.441 1390 G HA2 0.405 4.365 3.960 -0.000 0.000 0.243 1390 G HA3 0.405 4.365 3.960 -0.000 0.000 0.243 1390 G C -0.360 174.528 174.900 -0.021 0.000 1.281 1390 G CA 0.068 45.148 45.100 -0.033 0.000 0.854 1390 G HN 0.354 nan 8.290 nan 0.000 0.560 1391 K N 0.309 120.689 120.400 -0.034 0.000 2.207 1391 K HA 0.705 5.025 4.320 -0.000 0.000 0.255 1391 K C -0.333 176.216 176.600 -0.086 0.000 0.941 1391 K CA -0.453 55.815 56.287 -0.031 0.000 0.825 1391 K CB 2.276 34.768 32.500 -0.013 0.000 1.119 1391 K HN 0.661 nan 8.250 nan 0.000 0.430 1392 A N 1.501 124.301 122.820 -0.034 0.000 2.547 1392 A HA 0.612 4.932 4.320 -0.000 0.000 0.297 1392 A C -1.555 176.020 177.584 -0.016 0.000 1.056 1392 A CA -0.694 51.328 52.037 -0.025 0.000 0.688 1392 A CB 1.480 20.622 19.000 0.238 0.000 1.282 1392 A HN 0.346 nan 8.150 nan 0.000 0.400 1393 V N 3.184 123.056 119.914 -0.069 0.000 2.577 1393 V HA 0.675 4.795 4.120 -0.000 0.000 0.303 1393 V C -0.106 175.837 176.094 -0.252 0.000 1.042 1393 V CA -0.230 61.980 62.300 -0.151 0.000 0.872 1393 V CB 1.129 32.837 31.823 -0.192 0.000 0.998 1393 V HN 1.036 nan 8.190 nan 0.000 0.423 1394 I N 0.741 121.145 120.570 -0.276 0.000 3.457 1394 I HA 0.694 4.864 4.170 -0.000 0.000 0.307 1394 I C -0.098 175.903 176.117 -0.193 0.000 1.138 1394 I CA -0.852 60.300 61.300 -0.246 0.000 0.974 1394 I CB 2.842 40.586 38.000 -0.426 0.000 1.324 1394 I HN 0.490 nan 8.210 nan 0.000 0.485 1395 E N 0.530 120.661 120.200 -0.115 0.000 2.758 1395 E HA 0.475 4.825 4.350 -0.000 0.000 0.215 1395 E C -0.116 176.461 176.600 -0.039 0.000 0.985 1395 E CA -0.319 56.056 56.400 -0.043 0.000 1.102 1395 E CB 1.485 31.205 29.700 0.033 0.000 1.042 1395 E HN 0.932 nan 8.360 nan 0.000 0.480 1396 G N 0.613 109.364 108.800 -0.081 0.000 2.376 1396 G HA2 0.508 4.468 3.960 -0.000 0.000 0.302 1396 G HA3 0.508 4.468 3.960 -0.000 0.000 0.302 1396 G C -1.775 173.068 174.900 -0.095 0.000 1.586 1396 G CA -0.211 44.856 45.100 -0.055 0.000 0.907 1396 G HN 0.170 nan 8.290 nan 0.000 0.655 1397 A N -0.602 122.188 122.820 -0.050 0.000 2.609 1397 A HA 1.010 5.330 4.320 -0.000 0.000 0.291 1397 A C 0.616 178.191 177.584 -0.015 0.000 1.096 1397 A CA 0.412 52.421 52.037 -0.046 0.000 0.684 1397 A CB 1.173 20.147 19.000 -0.042 0.000 1.282 1397 A HN 2.235 nan 8.150 nan 0.000 0.412 1398 G N -0.510 108.289 108.800 -0.001 0.000 2.514 1398 G HA2 0.451 4.411 3.960 -0.000 0.000 0.245 1398 G HA3 0.451 4.411 3.960 -0.000 0.000 0.245 1398 G C -0.487 174.383 174.900 -0.051 0.000 1.488 1398 G CA -0.091 44.999 45.100 -0.017 0.000 1.063 1398 G HN 0.683 nan 8.290 nan 0.000 0.557 1399 D N -0.568 119.758 120.400 -0.123 0.000 2.360 1399 D HA 0.268 4.908 4.640 -0.000 0.000 0.242 1399 D C 0.326 176.481 176.300 -0.242 0.000 1.184 1399 D CA 0.232 54.035 54.000 -0.329 0.000 0.930 1399 D CB 0.162 40.568 40.800 -0.656 0.000 1.161 1399 D HN 0.489 nan 8.370 nan 0.000 0.447 1400 H N -2.283 116.775 119.070 -0.021 0.000 2.862 1400 H HA -0.197 4.359 4.556 -0.000 0.000 0.290 1400 H C 0.121 175.447 175.328 -0.004 0.000 1.211 1400 H CA 0.123 56.146 56.048 -0.042 0.000 1.140 1400 H CB -1.931 27.793 29.762 -0.064 0.000 1.341 1400 H HN 0.298 nan 8.280 nan 0.000 0.392 1401 C N 0.632 120.000 119.300 0.114 0.000 2.657 1401 C HA 0.161 4.621 4.460 -0.000 0.000 0.420 1401 C C 1.877 176.985 174.990 0.198 0.000 1.323 1401 C CA 0.844 59.984 59.018 0.203 0.000 1.894 1401 C CB -0.955 26.939 27.740 0.257 0.000 2.681 1401 C HN 0.932 nan 8.230 nan 0.000 0.613 1402 C N 4.777 124.207 119.300 0.216 0.000 4.350 1402 C HA -0.142 4.318 4.460 -0.000 0.000 0.302 1402 C C 1.681 176.707 174.990 0.060 0.000 1.390 1402 C CA 1.127 60.234 59.018 0.148 0.000 2.016 1402 C CB -3.218 24.636 27.740 0.190 0.000 1.271 1402 C HN 1.089 nan 8.230 nan 0.000 0.760 1403 E N 0.120 120.327 120.200 0.012 0.000 1.997 1403 E HA -0.173 4.177 4.350 -0.000 0.000 0.201 1403 E C 0.742 177.204 176.600 -0.231 0.000 1.011 1403 E CA 1.411 57.720 56.400 -0.152 0.000 0.847 1403 E CB -0.051 29.506 29.700 -0.238 0.000 0.787 1403 E HN 0.779 nan 8.360 nan 0.000 0.472 1404 Y N 0.321 120.629 120.300 0.014 0.000 2.801 1404 Y HA 0.225 4.775 4.550 -0.000 0.000 0.340 1404 Y C 0.272 176.209 175.900 0.061 0.000 1.088 1404 Y CA -0.339 57.790 58.100 0.048 0.000 1.444 1404 Y CB -0.356 38.143 38.460 0.064 0.000 1.251 1404 Y HN 0.157 nan 8.280 nan 0.000 0.522 1405 M N 1.269 120.948 119.600 0.133 0.000 2.252 1405 M HA 0.019 4.499 4.480 -0.000 0.000 0.348 1405 M C 0.925 177.288 176.300 0.104 0.000 1.334 1405 M CA 0.989 56.353 55.300 0.107 0.000 1.071 1405 M CB 0.680 33.324 32.600 0.074 0.000 1.763 1405 M HN 0.420 nan 8.290 nan 0.000 0.452 1406 T N 0.951 115.567 114.554 0.102 0.000 3.044 1406 T HA 0.599 4.949 4.350 -0.000 0.000 0.260 1406 T C 0.466 175.199 174.700 0.056 0.000 1.019 1406 T CA -0.016 62.137 62.100 0.088 0.000 0.921 1406 T CB 0.224 69.161 68.868 0.114 0.000 1.053 1406 T HN 0.847 nan 8.240 nan 0.000 0.533 1407 G N -1.063 107.767 108.800 0.049 0.000 2.430 1407 G HA2 0.598 4.558 3.960 -0.000 0.000 0.300 1407 G HA3 0.598 4.558 3.960 -0.000 0.000 0.300 1407 G C -0.111 174.808 174.900 0.033 0.000 1.330 1407 G CA -0.030 45.091 45.100 0.035 0.000 0.813 1407 G HN 1.115 nan 8.290 nan 0.000 0.487 1408 G N -2.359 106.460 108.800 0.031 0.000 2.660 1408 G HA2 0.351 4.311 3.960 -0.000 0.000 0.215 1408 G HA3 0.351 4.311 3.960 -0.000 0.000 0.215 1408 G C -0.745 174.182 174.900 0.045 0.000 1.345 1408 G CA 0.345 45.464 45.100 0.032 0.000 0.877 1408 G HN 1.881 nan 8.290 nan 0.000 0.549 1409 V N 0.313 120.260 119.914 0.053 0.000 2.655 1409 V HA 0.561 4.681 4.120 -0.000 0.000 0.301 1409 V C -0.532 175.614 176.094 0.086 0.000 1.082 1409 V CA -0.800 61.551 62.300 0.085 0.000 0.899 1409 V CB 1.701 33.601 31.823 0.128 0.000 1.014 1409 V HN 0.814 nan 8.190 nan 0.000 0.429 1410 I N 5.097 125.715 120.570 0.080 0.000 2.389 1410 I HA 0.512 4.682 4.170 -0.000 0.000 0.288 1410 I C -0.184 175.943 176.117 0.018 0.000 0.999 1410 I CA -0.772 60.574 61.300 0.078 0.000 1.129 1410 I CB 1.817 39.881 38.000 0.106 0.000 1.288 1410 I HN 0.298 nan 8.210 nan 0.000 0.444 1411 V N 7.320 127.250 119.914 0.027 0.000 2.384 1411 V HA 0.465 4.585 4.120 -0.000 0.000 0.287 1411 V C -0.064 175.987 176.094 -0.072 0.000 1.020 1411 V CA -0.656 61.651 62.300 0.011 0.000 0.850 1411 V CB 2.261 34.116 31.823 0.052 0.000 0.987 1411 V HN 0.420 nan 8.190 nan 0.000 0.436 1412 V N 6.751 126.613 119.914 -0.088 0.000 2.407 1412 V HA 0.373 4.493 4.120 -0.000 0.000 0.291 1412 V C 0.379 176.505 176.094 0.053 0.000 1.018 1412 V CA -0.327 61.942 62.300 -0.051 0.000 0.842 1412 V CB 1.698 33.526 31.823 0.008 0.000 0.996 1412 V HN 0.728 nan 8.190 nan 0.000 0.426 1413 L N 4.414 125.644 121.223 0.013 0.000 2.783 1413 L HA 0.579 4.919 4.340 -0.000 0.000 0.236 1413 L C 0.928 177.796 176.870 -0.003 0.000 1.225 1413 L CA 0.201 55.050 54.840 0.016 0.000 1.026 1413 L CB -0.070 42.003 42.059 0.023 0.000 1.314 1413 L HN 0.819 nan 8.230 nan 0.000 0.489 1414 G N -0.975 107.835 108.800 0.016 0.000 2.606 1414 G HA2 0.461 4.421 3.960 -0.000 0.000 0.300 1414 G HA3 0.461 4.421 3.960 -0.000 0.000 0.300 1414 G C -3.077 171.848 174.900 0.043 0.000 1.360 1414 G CA -0.870 44.242 45.100 0.020 0.000 0.783 1414 G HN -0.264 nan 8.290 nan 0.000 0.484 1415 P HA 0.390 nan 4.420 nan 0.000 0.267 1415 P C -0.598 176.716 177.300 0.023 0.000 1.201 1415 P CA -0.188 62.928 63.100 0.027 0.000 0.775 1415 P CB 1.209 32.920 31.700 0.019 0.000 0.854 1416 V N 1.214 121.131 119.914 0.004 0.000 2.971 1416 V HA 0.622 4.742 4.120 -0.000 0.000 0.309 1416 V C 0.666 176.727 176.094 -0.055 0.000 1.130 1416 V CA -0.373 61.922 62.300 -0.010 0.000 0.964 1416 V CB 2.240 34.068 31.823 0.008 0.000 1.029 1416 V HN 0.756 nan 8.190 nan 0.000 0.427 1417 G N 3.083 111.845 108.800 -0.064 0.000 2.516 1417 G HA2 0.416 4.376 3.960 -0.000 0.000 0.276 1417 G HA3 0.416 4.376 3.960 -0.000 0.000 0.276 1417 G C 0.000 174.820 174.900 -0.134 0.000 1.390 1417 G CA -0.433 44.613 45.100 -0.091 0.000 1.050 1417 G HN 0.922 nan 8.290 nan 0.000 0.519 1418 R N -1.646 118.759 120.500 -0.159 0.000 2.541 1418 R HA 0.369 4.709 4.340 -0.000 0.000 0.254 1418 R C 0.561 176.747 176.300 -0.191 0.000 1.130 1418 R CA -0.090 55.912 56.100 -0.164 0.000 1.152 1418 R CB 0.187 30.411 30.300 -0.126 0.000 1.222 1418 R HN 0.663 nan 8.270 nan 0.000 0.579 1419 N N -1.021 117.598 118.700 -0.135 0.000 2.747 1419 N HA -0.149 4.591 4.740 -0.000 0.000 0.249 1419 N C -1.048 174.426 175.510 -0.060 0.000 1.107 1419 N CA 0.352 53.360 53.050 -0.070 0.000 0.707 1419 N CB -0.353 38.158 38.487 0.041 0.000 1.054 1419 N HN 0.378 nan 8.380 nan 0.000 0.555 1420 V N 0.673 120.514 119.914 -0.121 0.000 2.673 1420 V HA 0.254 4.374 4.120 -0.000 0.000 0.303 1420 V C 1.858 177.907 176.094 -0.076 0.000 1.046 1420 V CA 1.206 63.436 62.300 -0.116 0.000 1.126 1420 V CB 0.941 32.595 31.823 -0.282 0.000 0.934 1420 V HN 0.573 nan 8.190 nan 0.000 0.487 1421 G N 3.727 112.522 108.800 -0.009 0.000 2.179 1421 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.257 1421 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.257 1421 G C 0.436 175.295 174.900 -0.068 0.000 1.010 1421 G CA 0.163 45.259 45.100 -0.007 0.000 0.736 1421 G HN 1.652 nan 8.290 nan 0.000 0.513 1422 A N -0.321 122.436 122.820 -0.105 0.000 2.546 1422 A HA 0.607 4.927 4.320 -0.000 0.000 0.243 1422 A C 2.100 179.531 177.584 -0.256 0.000 1.063 1422 A CA 1.582 53.521 52.037 -0.163 0.000 0.757 1422 A CB -0.183 18.710 19.000 -0.178 0.000 0.991 1422 A HN 2.361 nan 8.150 nan 0.000 0.503 1423 G N 1.474 110.163 108.800 -0.184 0.000 2.180 1423 G HA2 -0.318 3.641 3.960 -0.000 0.000 0.263 1423 G HA3 -0.318 3.641 3.960 -0.000 0.000 0.263 1423 G C 0.390 175.249 174.900 -0.068 0.000 0.989 1423 G CA 0.848 45.857 45.100 -0.151 0.000 0.692 1423 G HN 1.526 nan 8.290 nan 0.000 0.526 1424 M N 0.644 120.210 119.600 -0.056 0.000 2.227 1424 M HA 0.532 5.012 4.480 -0.000 0.000 0.349 1424 M C 1.132 177.447 176.300 0.025 0.000 1.443 1424 M CA 1.070 56.374 55.300 0.006 0.000 1.110 1424 M CB 1.065 33.675 32.600 0.016 0.000 1.773 1424 M HN 0.006 nan 8.290 nan 0.000 0.463 1425 T N 2.861 117.444 114.554 0.049 0.000 2.959 1425 T HA 0.465 4.815 4.350 -0.000 0.000 0.254 1425 T C 0.111 174.834 174.700 0.038 0.000 1.003 1425 T CA 0.418 62.545 62.100 0.046 0.000 0.950 1425 T CB 0.283 69.191 68.868 0.065 0.000 1.090 1425 T HN 0.897 nan 8.240 nan 0.000 0.503 1426 G N -1.154 107.671 108.800 0.042 0.000 2.687 1426 G HA2 0.568 4.528 3.960 -0.000 0.000 0.291 1426 G HA3 0.568 4.528 3.960 -0.000 0.000 0.291 1426 G C -0.113 174.807 174.900 0.033 0.000 1.420 1426 G CA 0.043 45.163 45.100 0.034 0.000 0.796 1426 G HN 0.600 nan 8.290 nan 0.000 0.485 1427 G N -1.733 107.083 108.800 0.026 0.000 2.782 1427 G HA2 0.206 4.166 3.960 -0.000 0.000 0.228 1427 G HA3 0.206 4.166 3.960 -0.000 0.000 0.228 1427 G C -0.772 174.130 174.900 0.004 0.000 1.372 1427 G CA -0.088 45.026 45.100 0.024 0.000 0.862 1427 G HN 1.316 nan 8.290 nan 0.000 0.547 1428 L N -0.441 120.775 121.223 -0.013 0.000 2.434 1428 L HA 0.815 5.155 4.340 -0.000 0.000 0.260 1428 L C 0.332 177.115 176.870 -0.144 0.000 0.983 1428 L CA -0.563 54.217 54.840 -0.100 0.000 0.820 1428 L CB 2.239 44.215 42.059 -0.137 0.000 1.361 1428 L HN 1.592 nan 8.230 nan 0.000 0.410 1429 A N 1.588 124.249 122.820 -0.265 0.000 2.414 1429 A HA 0.842 5.162 4.320 -0.000 0.000 0.306 1429 A C -1.985 175.277 177.584 -0.538 0.000 1.054 1429 A CA -0.365 51.474 52.037 -0.330 0.000 0.724 1429 A CB 1.286 20.140 19.000 -0.243 0.000 1.267 1429 A HN 0.547 nan 8.150 nan 0.000 0.418 1430 Y N 0.187 120.293 120.300 -0.323 0.000 2.376 1430 Y HA 0.664 5.214 4.550 -0.000 0.000 0.340 1430 Y C -0.902 174.873 175.900 -0.207 0.000 0.965 1430 Y CA -0.439 57.617 58.100 -0.073 0.000 1.078 1430 Y CB 1.948 40.426 38.460 0.029 0.000 1.193 1430 Y HN 0.545 nan 8.280 nan 0.000 0.452 1431 F N 3.520 123.756 119.950 0.476 0.000 2.518 1431 F HA 0.400 4.927 4.527 -0.000 0.000 0.323 1431 F C -0.704 175.155 175.800 0.097 0.000 1.129 1431 F CA -1.000 57.160 58.000 0.267 0.000 0.920 1431 F CB 1.491 40.607 39.000 0.193 0.000 1.160 1431 F HN 0.257 nan 8.300 nan 0.000 0.440 1432 L N 3.844 125.044 121.223 -0.038 0.000 2.315 1432 L HA 0.374 4.714 4.340 -0.000 0.000 0.283 1432 L C -0.568 176.236 176.870 -0.111 0.000 1.089 1432 L CA 0.250 54.792 54.840 -0.496 0.000 0.833 1432 L CB 0.256 41.976 42.059 -0.565 0.000 1.170 1432 L HN 0.544 nan 8.230 nan 0.000 0.442 1433 D N 3.522 123.877 120.400 -0.075 0.000 2.446 1433 D HA 0.204 4.843 4.640 -0.000 0.000 0.251 1433 D C 0.316 176.615 176.300 -0.002 0.000 1.137 1433 D CA -0.124 53.908 54.000 0.054 0.000 0.890 1433 D CB 0.852 41.805 40.800 0.255 0.000 1.071 1433 D HN 0.691 nan 8.370 nan 0.000 0.528 1434 E N 1.577 121.771 120.200 -0.009 0.000 2.442 1434 E HA 0.009 4.359 4.350 -0.000 0.000 0.195 1434 E C 1.531 178.131 176.600 -0.001 0.000 1.030 1434 E CA 0.239 56.628 56.400 -0.018 0.000 0.869 1434 E CB 0.934 30.635 29.700 0.002 0.000 0.857 1434 E HN 0.325 nan 8.360 nan 0.000 0.505 1435 V N -0.220 119.706 119.914 0.019 0.000 2.446 1435 V HA 0.045 4.165 4.120 -0.000 0.000 0.244 1435 V C 1.685 177.797 176.094 0.030 0.000 1.039 1435 V CA 1.487 63.799 62.300 0.020 0.000 1.045 1435 V CB 0.051 31.886 31.823 0.019 0.000 0.681 1435 V HN 0.491 nan 8.190 nan 0.000 0.459 1436 G N 1.042 109.881 108.800 0.064 0.000 2.184 1436 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.206 1436 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.206 1436 G C 0.417 175.372 174.900 0.091 0.000 0.995 1436 G CA 0.416 45.576 45.100 0.099 0.000 0.651 1436 G HN 0.634 nan 8.290 nan 0.000 0.511 1437 D N 0.255 120.683 120.400 0.046 0.000 2.369 1437 D HA 0.259 4.899 4.640 -0.000 0.000 0.211 1437 D C 2.098 178.361 176.300 -0.062 0.000 1.077 1437 D CA 0.171 54.166 54.000 -0.008 0.000 0.842 1437 D CB -0.121 40.668 40.800 -0.018 0.000 0.947 1437 D HN 0.351 nan 8.370 nan 0.000 0.509 1438 L N 1.062 122.252 121.223 -0.055 0.000 2.081 1438 L HA -0.047 4.293 4.340 -0.000 0.000 0.212 1438 L C -0.847 175.823 176.870 -0.334 0.000 1.080 1438 L CA 1.912 56.641 54.840 -0.184 0.000 0.754 1438 L CB -1.291 40.686 42.059 -0.137 0.000 0.893 1438 L HN -0.012 nan 8.230 nan 0.000 0.433 1439 P HA -0.168 nan 4.420 nan 0.000 0.221 1439 P C 1.364 178.515 177.300 -0.249 0.000 1.145 1439 P CA 1.247 64.102 63.100 -0.408 0.000 0.795 1439 P CB 0.039 31.512 31.700 -0.379 0.000 0.775 1440 E N -0.244 119.847 120.200 -0.182 0.000 2.152 1440 E HA -0.139 4.211 4.350 -0.000 0.000 0.192 1440 E C 1.390 177.905 176.600 -0.142 0.000 0.983 1440 E CA 0.974 57.294 56.400 -0.132 0.000 0.818 1440 E CB -0.049 29.595 29.700 -0.094 0.000 0.758 1440 E HN 0.218 nan 8.360 nan 0.000 0.467 1441 K N -0.105 120.191 120.400 -0.174 0.000 2.393 1441 K HA 0.103 4.423 4.320 -0.000 0.000 0.193 1441 K C 0.208 176.694 176.600 -0.190 0.000 1.026 1441 K CA -0.154 56.031 56.287 -0.169 0.000 1.064 1441 K CB 0.684 33.082 32.500 -0.170 0.000 0.833 1441 K HN 0.011 nan 8.250 nan 0.000 0.521 1442 I N 2.349 122.788 120.570 -0.219 0.000 2.692 1442 I HA -0.062 4.108 4.170 -0.000 0.000 0.284 1442 I C 0.401 176.428 176.117 -0.150 0.000 1.159 1442 I CA -0.208 60.965 61.300 -0.211 0.000 1.423 1442 I CB 0.218 38.072 38.000 -0.244 0.000 1.380 1442 I HN 0.146 nan 8.210 nan 0.000 0.580 1443 N N 8.832 127.458 118.700 -0.123 0.000 2.411 1443 N HA 0.173 4.913 4.740 -0.000 0.000 0.259 1443 N C -1.925 173.529 175.510 -0.094 0.000 1.103 1443 N CA -1.449 51.542 53.050 -0.098 0.000 0.954 1443 N CB 1.202 39.638 38.487 -0.085 0.000 1.085 1443 N HN 0.278 nan 8.380 nan 0.000 0.485 1444 P HA 0.128 nan 4.420 nan 0.000 0.257 1444 P C 0.407 177.671 177.300 -0.059 0.000 1.281 1444 P CA 0.186 63.238 63.100 -0.080 0.000 0.826 1444 P CB 0.574 32.224 31.700 -0.082 0.000 1.237 1445 E N 0.030 120.197 120.200 -0.056 0.000 2.153 1445 E HA -0.062 4.287 4.350 -0.000 0.000 0.194 1445 E C 1.599 178.182 176.600 -0.029 0.000 0.988 1445 E CA 1.188 57.563 56.400 -0.041 0.000 0.811 1445 E CB 0.044 29.718 29.700 -0.043 0.000 0.746 1445 E HN 0.436 nan 8.360 nan 0.000 0.466 1446 I N -0.382 120.169 120.570 -0.031 0.000 4.193 1446 I HA 0.075 4.245 4.170 -0.000 0.000 0.287 1446 I C 0.993 177.101 176.117 -0.016 0.000 1.175 1446 I CA -0.201 61.089 61.300 -0.018 0.000 1.320 1446 I CB 0.400 38.393 38.000 -0.011 0.000 1.523 1446 I HN -0.097 nan 8.210 nan 0.000 0.450 1447 I N -0.059 120.497 120.570 -0.023 0.000 2.823 1447 I HA 0.384 4.554 4.170 -0.000 0.000 0.290 1447 I C -0.263 175.837 176.117 -0.027 0.000 1.091 1447 I CA 0.140 61.430 61.300 -0.016 0.000 1.365 1447 I CB 0.838 38.834 38.000 -0.007 0.000 1.427 1447 I HN -0.126 nan 8.210 nan 0.000 0.583 1448 T N 5.053 119.600 114.554 -0.012 0.000 2.912 1448 T HA 0.583 4.932 4.350 -0.000 0.000 0.288 1448 T C -0.549 174.150 174.700 -0.002 0.000 1.030 1448 T CA -0.447 61.642 62.100 -0.017 0.000 1.020 1448 T CB 1.656 70.528 68.868 0.006 0.000 1.056 1448 T HN 0.303 nan 8.240 nan 0.000 0.480 1449 L N 3.297 124.495 121.223 -0.041 0.000 2.325 1449 L HA 0.576 4.916 4.340 -0.000 0.000 0.279 1449 L C -0.044 176.959 176.870 0.222 0.000 1.054 1449 L CA 0.080 54.926 54.840 0.011 0.000 0.804 1449 L CB 1.232 43.060 42.059 -0.386 0.000 1.200 1449 L HN 0.767 nan 8.230 nan 0.000 0.436 1450 Q N 2.340 122.409 119.800 0.449 0.000 2.435 1450 Q HA 0.626 4.966 4.340 -0.000 0.000 0.282 1450 Q C -1.088 175.146 176.000 0.389 0.000 1.020 1450 Q CA -1.200 54.869 55.803 0.443 0.000 0.820 1450 Q CB 1.545 30.416 28.738 0.221 0.000 1.436 1450 Q HN 0.213 nan 8.270 nan 0.000 0.395 1451 R N 1.025 121.617 120.500 0.154 0.000 2.594 1451 R HA 0.372 4.712 4.340 -0.000 0.000 0.272 1451 R C -0.214 176.122 176.300 0.060 0.000 1.074 1451 R CA -0.454 55.621 56.100 -0.041 0.000 1.105 1451 R CB -0.055 30.155 30.300 -0.149 0.000 1.008 1451 R HN 0.667 nan 8.270 nan 0.000 0.472 1452 I N 1.711 122.322 120.570 0.067 0.000 2.587 1452 I HA -0.047 4.123 4.170 -0.000 0.000 0.284 1452 I C 1.101 177.253 176.117 0.059 0.000 1.134 1452 I CA 0.801 62.161 61.300 0.100 0.000 1.410 1452 I CB 0.445 38.513 38.000 0.112 0.000 1.392 1452 I HN 0.549 nan 8.210 nan 0.000 0.545 1453 T N 3.850 118.446 114.554 0.070 0.000 2.954 1453 T HA 0.251 4.601 4.350 -0.000 0.000 0.252 1453 T C 0.590 175.325 174.700 0.058 0.000 0.983 1453 T CA -0.107 62.025 62.100 0.053 0.000 0.941 1453 T CB 0.526 69.423 68.868 0.049 0.000 1.141 1453 T HN 0.618 nan 8.240 nan 0.000 0.500 1454 A N 2.073 124.937 122.820 0.073 0.000 2.309 1454 A HA 0.564 4.884 4.320 -0.000 0.000 0.290 1454 A C 1.682 179.308 177.584 0.071 0.000 1.206 1454 A CA -0.066 52.012 52.037 0.069 0.000 0.850 1454 A CB 0.318 19.363 19.000 0.076 0.000 1.118 1454 A HN 0.327 nan 8.150 nan 0.000 0.523 1455 S N 2.879 118.613 115.700 0.057 0.000 2.370 1455 S HA -0.229 4.241 4.470 -0.000 0.000 0.226 1455 S C 1.747 176.376 174.600 0.048 0.000 1.033 1455 S CA 1.785 60.017 58.200 0.054 0.000 1.011 1455 S CB -0.322 62.902 63.200 0.041 0.000 0.852 1455 S HN 0.664 nan 8.310 nan 0.000 0.457 1456 K N 1.675 122.102 120.400 0.046 0.000 2.103 1456 K HA 0.084 4.404 4.320 -0.000 0.000 0.207 1456 K C 2.199 178.832 176.600 0.056 0.000 1.048 1456 K CA 1.390 57.702 56.287 0.042 0.000 0.930 1456 K CB -1.218 31.309 32.500 0.044 0.000 0.716 1456 K HN 0.515 nan 8.250 nan 0.000 0.444 1457 G N 0.120 108.975 108.800 0.091 0.000 2.408 1457 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.217 1457 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.217 1457 G C 1.431 176.364 174.900 0.055 0.000 1.150 1457 G CA 0.792 45.979 45.100 0.145 0.000 0.776 1457 G HN 0.475 nan 8.290 nan 0.000 0.542 1458 E N 0.416 120.653 120.200 0.060 0.000 2.110 1458 E HA -0.141 4.209 4.350 -0.000 0.000 0.193 1458 E C 2.083 178.702 176.600 0.031 0.000 0.988 1458 E CA 1.106 57.554 56.400 0.080 0.000 0.804 1458 E CB 0.040 29.832 29.700 0.154 0.000 0.745 1458 E HN 0.435 nan 8.360 nan 0.000 0.458 1459 E N 0.229 120.417 120.200 -0.019 0.000 2.299 1459 E HA -0.143 4.207 4.350 -0.000 0.000 0.193 1459 E C 1.880 178.421 176.600 -0.099 0.000 0.998 1459 E CA 0.385 56.736 56.400 -0.082 0.000 0.851 1459 E CB -0.140 29.524 29.700 -0.061 0.000 0.795 1459 E HN 0.431 nan 8.360 nan 0.000 0.492 1460 Q N 0.700 120.453 119.800 -0.078 0.000 2.083 1460 Q HA -0.111 4.229 4.340 -0.000 0.000 0.198 1460 Q C 2.218 178.106 176.000 -0.187 0.000 0.969 1460 Q CA 0.674 56.431 55.803 -0.076 0.000 0.838 1460 Q CB 0.035 28.779 28.738 0.011 0.000 0.900 1460 Q HN 0.185 nan 8.270 nan 0.000 0.436 1461 L N 1.240 122.235 121.223 -0.380 0.000 2.056 1461 L HA -0.147 4.193 4.340 -0.000 0.000 0.207 1461 L C 2.299 179.043 176.870 -0.210 0.000 1.078 1461 L CA 1.945 56.486 54.840 -0.498 0.000 0.749 1461 L CB -0.426 41.144 42.059 -0.815 0.000 0.901 1461 L HN 0.099 nan 8.230 nan 0.000 0.433 1462 K N -1.340 118.937 120.400 -0.205 0.000 2.097 1462 K HA -0.164 4.156 4.320 -0.000 0.000 0.205 1462 K C 2.345 178.786 176.600 -0.265 0.000 1.050 1462 K CA 1.350 57.385 56.287 -0.420 0.000 0.938 1462 K CB -0.196 31.844 32.500 -0.766 0.000 0.718 1462 K HN 0.444 nan 8.250 nan 0.000 0.442 1463 S N 0.227 115.820 115.700 -0.177 0.000 2.368 1463 S HA -0.089 4.381 4.470 -0.000 0.000 0.224 1463 S C 1.904 176.490 174.600 -0.024 0.000 1.029 1463 S CA 0.604 58.744 58.200 -0.101 0.000 0.988 1463 S CB -0.188 62.971 63.200 -0.068 0.000 0.838 1463 S HN 0.241 nan 8.310 nan 0.000 0.462 1464 L N 1.729 122.953 121.223 0.001 0.000 2.046 1464 L HA 0.129 4.469 4.340 -0.000 0.000 0.208 1464 L C 2.295 179.255 176.870 0.150 0.000 1.077 1464 L CA 1.543 56.448 54.840 0.109 0.000 0.747 1464 L CB -1.210 40.891 42.059 0.070 0.000 0.896 1464 L HN 0.424 nan 8.230 nan 0.000 0.432 1465 I N -1.227 119.383 120.570 0.066 0.000 2.315 1465 I HA -0.290 3.880 4.170 -0.000 0.000 0.248 1465 I C 2.202 178.359 176.117 0.067 0.000 1.117 1465 I CA 1.210 62.576 61.300 0.109 0.000 1.404 1465 I CB -0.431 37.640 38.000 0.118 0.000 1.071 1465 I HN 0.244 nan 8.210 nan 0.000 0.419 1466 T N 0.839 115.374 114.554 -0.032 0.000 2.684 1466 T HA -0.197 4.153 4.350 -0.000 0.000 0.267 1466 T C 2.039 176.686 174.700 -0.088 0.000 1.036 1466 T CA 1.603 63.655 62.100 -0.081 0.000 1.148 1466 T CB -0.315 68.477 68.868 -0.127 0.000 0.863 1466 T HN 0.490 nan 8.240 nan 0.000 0.436 1467 A N 0.808 123.590 122.820 -0.063 0.000 1.930 1467 A HA -0.113 4.207 4.320 -0.000 0.000 0.217 1467 A C 2.017 179.406 177.584 -0.324 0.000 1.175 1467 A CA 1.986 53.919 52.037 -0.172 0.000 0.627 1467 A CB -0.868 18.122 19.000 -0.017 0.000 0.815 1467 A HN 0.633 nan 8.150 nan 0.000 0.443 1468 H N -0.111 118.823 119.070 -0.226 0.000 2.352 1468 H HA -0.092 4.464 4.556 -0.000 0.000 0.299 1468 H C 1.794 177.051 175.328 -0.118 0.000 1.097 1468 H CA 2.065 58.022 56.048 -0.151 0.000 1.311 1468 H CB -0.198 29.648 29.762 0.139 0.000 1.377 1468 H HN 0.136 nan 8.280 nan 0.000 0.504 1469 V N 0.765 120.603 119.914 -0.126 0.000 2.358 1469 V HA -0.178 3.942 4.120 -0.000 0.000 0.246 1469 V C 2.345 178.327 176.094 -0.187 0.000 1.047 1469 V CA 1.961 64.168 62.300 -0.154 0.000 1.035 1469 V CB -0.311 31.468 31.823 -0.074 0.000 0.658 1469 V HN 0.448 nan 8.190 nan 0.000 0.452 1470 E N -0.551 119.507 120.200 -0.237 0.000 2.077 1470 E HA -0.179 4.171 4.350 -0.000 0.000 0.193 1470 E C 2.197 178.621 176.600 -0.293 0.000 0.989 1470 E CA 1.252 57.483 56.400 -0.283 0.000 0.800 1470 E CB -0.431 29.049 29.700 -0.367 0.000 0.746 1470 E HN 0.662 nan 8.360 nan 0.000 0.452 1471 H N -0.775 118.156 119.070 -0.233 0.000 2.462 1471 H HA 0.048 4.604 4.556 -0.000 0.000 0.292 1471 H C 1.496 176.762 175.328 -0.103 0.000 1.049 1471 H CA 1.362 57.310 56.048 -0.166 0.000 1.334 1471 H CB 0.399 29.992 29.762 -0.281 0.000 1.404 1471 H HN 0.096 nan 8.280 nan 0.000 0.544 1472 T N -2.143 112.357 114.554 -0.090 0.000 2.989 1472 T HA 0.232 4.582 4.350 -0.000 0.000 0.250 1472 T C 1.419 176.049 174.700 -0.118 0.000 0.981 1472 T CA 0.754 62.771 62.100 -0.139 0.000 0.980 1472 T CB 0.358 68.993 68.868 -0.389 0.000 1.133 1472 T HN 0.542 nan 8.240 nan 0.000 0.489 1473 G N 1.909 110.634 108.800 -0.125 0.000 2.168 1473 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.263 1473 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.263 1473 G C 0.389 175.241 174.900 -0.079 0.000 0.977 1473 G CA 0.750 45.799 45.100 -0.084 0.000 0.659 1473 G HN 0.792 nan 8.290 nan 0.000 0.533 1474 S N 1.027 116.654 115.700 -0.121 0.000 3.480 1474 S HA 0.171 4.641 4.470 -0.000 0.000 0.411 1474 S C 0.188 174.782 174.600 -0.011 0.000 1.164 1474 S CA 0.390 58.553 58.200 -0.061 0.000 1.084 1474 S CB 0.645 63.802 63.200 -0.072 0.000 0.759 1474 S HN 0.288 nan 8.310 nan 0.000 0.515 1475 P HA -0.054 nan 4.420 nan 0.000 0.216 1475 P C 1.483 178.794 177.300 0.019 0.000 1.153 1475 P CA 0.719 63.825 63.100 0.009 0.000 0.848 1475 P CB 0.101 31.808 31.700 0.012 0.000 0.787 1476 K N 0.365 120.784 120.400 0.032 0.000 2.044 1476 K HA -0.133 4.186 4.320 -0.000 0.000 0.210 1476 K C 2.150 178.753 176.600 0.005 0.000 1.049 1476 K CA 2.270 58.569 56.287 0.021 0.000 0.927 1476 K CB -1.476 31.054 32.500 0.050 0.000 0.713 1476 K HN 0.113 nan 8.250 nan 0.000 0.443 1477 G N 0.628 109.467 108.800 0.066 0.000 2.433 1477 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.216 1477 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.216 1477 G C 1.341 176.267 174.900 0.043 0.000 1.186 1477 G CA 0.918 46.074 45.100 0.094 0.000 0.779 1477 G HN 0.320 nan 8.290 nan 0.000 0.543 1478 K N 0.683 121.096 120.400 0.021 0.000 2.044 1478 K HA -0.124 4.196 4.320 -0.000 0.000 0.210 1478 K C 2.929 179.543 176.600 0.023 0.000 1.049 1478 K CA 1.250 57.545 56.287 0.013 0.000 0.927 1478 K CB -0.342 32.159 32.500 0.002 0.000 0.713 1478 K HN 0.279 nan 8.250 nan 0.000 0.443 1479 A N 1.495 124.319 122.820 0.006 0.000 1.902 1479 A HA -0.153 4.167 4.320 -0.000 0.000 0.217 1479 A C 2.143 179.702 177.584 -0.041 0.000 1.181 1479 A CA 1.317 53.358 52.037 0.007 0.000 0.623 1479 A CB -0.574 18.428 19.000 0.003 0.000 0.818 1479 A HN 0.200 nan 8.150 nan 0.000 0.443 1480 I N -0.458 120.007 120.570 -0.176 0.000 2.226 1480 I HA -0.258 3.912 4.170 -0.000 0.000 0.245 1480 I C 2.274 178.513 176.117 0.203 0.000 1.100 1480 I CA 1.137 62.297 61.300 -0.234 0.000 1.374 1480 I CB -0.291 37.605 38.000 -0.174 0.000 1.057 1480 I HN 0.283 nan 8.210 nan 0.000 0.413 1481 L N 0.296 121.641 121.223 0.203 0.000 2.156 1481 L HA -0.099 4.241 4.340 -0.000 0.000 0.208 1481 L C 2.726 179.711 176.870 0.192 0.000 1.095 1481 L CA 1.002 55.977 54.840 0.225 0.000 0.770 1481 L CB -0.619 41.473 42.059 0.054 0.000 0.914 1481 L HN 0.200 nan 8.230 nan 0.000 0.439 1482 A N -0.194 122.712 122.820 0.143 0.000 2.066 1482 A HA -0.062 4.258 4.320 -0.000 0.000 0.218 1482 A C 1.050 178.734 177.584 0.167 0.000 1.157 1482 A CA 0.993 53.103 52.037 0.123 0.000 0.670 1482 A CB -0.213 18.840 19.000 0.087 0.000 0.804 1482 A HN 0.492 nan 8.150 nan 0.000 0.453 1483 N N -0.957 117.885 118.700 0.237 0.000 2.696 1483 N HA 0.029 4.768 4.740 -0.000 0.000 0.308 1483 N C 0.432 176.136 175.510 0.324 0.000 1.915 1483 N CA -0.421 52.782 53.050 0.255 0.000 0.906 1483 N CB 0.143 38.790 38.487 0.267 0.000 1.284 1483 N HN 0.700 nan 8.380 nan 0.000 0.488 1484 W N 2.470 123.842 121.300 0.119 0.000 2.317 1484 W HA -0.282 4.378 4.660 -0.000 0.000 0.318 1484 W C 1.838 178.434 176.519 0.128 0.000 1.227 1484 W CA 2.256 59.667 57.345 0.111 0.000 1.269 1484 W CB 0.063 29.549 29.460 0.044 0.000 1.155 1484 W HN 0.275 nan 8.180 nan 0.000 0.484 1485 S N 0.025 115.752 115.700 0.045 0.000 2.406 1485 S HA -0.192 4.278 4.470 -0.000 0.000 0.228 1485 S C 1.244 175.781 174.600 -0.105 0.000 1.020 1485 S CA 1.644 59.795 58.200 -0.082 0.000 0.965 1485 S CB -0.658 62.560 63.200 0.029 0.000 0.798 1485 S HN 0.122 nan 8.310 nan 0.000 0.488 1486 D N 0.666 121.036 120.400 -0.051 0.000 2.149 1486 D HA -0.068 4.572 4.640 -0.000 0.000 0.198 1486 D C 1.292 177.455 176.300 -0.228 0.000 0.990 1486 D CA 1.403 55.326 54.000 -0.128 0.000 0.839 1486 D CB -0.342 40.387 40.800 -0.118 0.000 0.948 1486 D HN 0.613 nan 8.370 nan 0.000 0.460 1487 Y N -0.119 120.093 120.300 -0.147 0.000 2.503 1487 Y HA 0.194 4.744 4.550 -0.000 0.000 0.278 1487 Y C 2.072 177.895 175.900 -0.129 0.000 1.111 1487 Y CA -0.105 57.915 58.100 -0.134 0.000 1.270 1487 Y CB 0.182 38.607 38.460 -0.058 0.000 1.063 1487 Y HN -0.053 nan 8.280 nan 0.000 0.548 1488 L N -0.650 120.442 121.223 -0.219 0.000 2.012 1488 L HA -0.190 4.150 4.340 -0.000 0.000 0.210 1488 L C 2.232 179.066 176.870 -0.059 0.000 1.073 1488 L CA 1.994 56.653 54.840 -0.303 0.000 0.748 1488 L CB -0.811 40.934 42.059 -0.523 0.000 0.891 1488 L HN 0.368 nan 8.230 nan 0.000 0.431 1489 G N -0.931 107.798 108.800 -0.119 0.000 2.679 1489 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.212 1489 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.212 1489 G C 1.463 176.245 174.900 -0.196 0.000 1.137 1489 G CA 0.128 45.141 45.100 -0.145 0.000 0.787 1489 G HN 0.366 nan 8.290 nan 0.000 0.534 1490 K N -0.608 119.703 120.400 -0.148 0.000 2.404 1490 K HA 0.208 4.528 4.320 -0.000 0.000 0.194 1490 K C -0.267 176.173 176.600 -0.266 0.000 1.023 1490 K CA -0.382 55.772 56.287 -0.222 0.000 1.094 1490 K CB 0.216 32.593 32.500 -0.207 0.000 0.841 1490 K HN 0.256 nan 8.250 nan 0.000 0.523 1491 F N 0.146 119.991 119.950 -0.176 0.000 2.389 1491 F HA 0.202 4.729 4.527 -0.000 0.000 0.337 1491 F C 0.188 175.902 175.800 -0.144 0.000 1.112 1491 F CA -0.566 57.405 58.000 -0.049 0.000 1.192 1491 F CB 0.587 39.601 39.000 0.024 0.000 1.185 1491 F HN -0.108 nan 8.300 nan 0.000 0.552 1492 W N 2.158 123.667 121.300 0.348 0.000 2.551 1492 W HA 0.495 5.155 4.660 -0.000 0.000 0.330 1492 W C -0.568 176.136 176.519 0.309 0.000 1.063 1492 W CA -0.699 56.810 57.345 0.274 0.000 1.222 1492 W CB 1.168 30.744 29.460 0.193 0.000 1.349 1492 W HN 0.272 nan 8.180 nan 0.000 0.536 1493 Q N 2.126 122.198 119.800 0.453 0.000 2.307 1493 Q HA 0.654 4.993 4.340 -0.000 0.000 0.262 1493 Q C -0.679 175.410 176.000 0.148 0.000 0.961 1493 Q CA -0.546 55.347 55.803 0.150 0.000 0.882 1493 Q CB 1.371 30.142 28.738 0.055 0.000 1.264 1493 Q HN 0.588 nan 8.270 nan 0.000 0.446 1494 A N 3.570 126.437 122.820 0.079 0.000 2.289 1494 A HA 0.591 4.911 4.320 -0.000 0.000 0.298 1494 A C -0.942 176.646 177.584 0.008 0.000 1.208 1494 A CA -0.432 51.668 52.037 0.105 0.000 0.845 1494 A CB 0.854 20.001 19.000 0.244 0.000 1.125 1494 A HN 0.531 nan 8.150 nan 0.000 0.517 1495 V N 5.884 125.812 119.914 0.023 0.000 2.498 1495 V HA 0.337 4.457 4.120 -0.000 0.000 0.283 1495 V C -2.442 173.661 176.094 0.015 0.000 1.015 1495 V CA -1.178 61.129 62.300 0.011 0.000 0.867 1495 V CB 1.690 33.526 31.823 0.022 0.000 1.025 1495 V HN 0.874 nan 8.190 nan 0.000 0.441 1496 P HA 0.309 nan 4.420 nan 0.000 0.277 1496 P C -2.551 174.758 177.300 0.015 0.000 1.240 1496 P CA -2.006 61.103 63.100 0.014 0.000 0.798 1496 P CB 0.747 32.458 31.700 0.018 0.000 0.979 1497 P HA 0.034 nan 4.420 nan 0.000 0.228 1497 P C 0.344 177.653 177.300 0.015 0.000 1.748 1497 P CA 0.294 63.403 63.100 0.015 0.000 0.909 1497 P CB -0.740 30.968 31.700 0.013 0.000 1.882 1498 S N -1.760 113.949 115.700 0.016 0.000 2.560 1498 S HA 0.125 4.595 4.470 -0.000 0.000 0.281 1498 S C 0.983 175.593 174.600 0.017 0.000 1.075 1498 S CA -0.353 57.856 58.200 0.015 0.000 1.295 1498 S CB -0.188 63.020 63.200 0.015 0.000 1.156 1498 S HN -0.033 nan 8.310 nan 0.000 0.627 1499 E N 1.521 121.732 120.200 0.018 0.000 2.498 1499 E HA 0.295 4.645 4.350 -0.000 0.000 0.203 1499 E C 1.023 177.637 176.600 0.023 0.000 1.013 1499 E CA -0.093 56.319 56.400 0.020 0.000 0.927 1499 E CB 0.288 29.998 29.700 0.017 0.000 1.012 1499 E HN 0.519 nan 8.360 nan 0.000 0.482 1500 K N 0.931 121.344 120.400 0.022 0.000 2.211 1500 K HA -0.118 4.202 4.320 -0.000 0.000 0.204 1500 K C 0.679 177.295 176.600 0.028 0.000 1.047 1500 K CA 1.111 57.413 56.287 0.025 0.000 0.935 1500 K CB 0.281 32.795 32.500 0.023 0.000 0.728 1500 K HN -0.028 nan 8.250 nan 0.000 0.452 1501 D N 0.010 120.425 120.400 0.025 0.000 2.395 1501 D HA -0.008 4.632 4.640 -0.000 0.000 0.213 1501 D C -0.072 176.245 176.300 0.027 0.000 1.110 1501 D CA 0.113 54.129 54.000 0.026 0.000 0.835 1501 D CB 0.592 41.405 40.800 0.022 0.000 0.965 1501 D HN 0.137 nan 8.370 nan 0.000 0.505 1502 S N 0.983 116.701 115.700 0.030 0.000 2.576 1502 S HA 0.190 4.660 4.470 -0.000 0.000 0.276 1502 S C -1.737 172.887 174.600 0.040 0.000 1.339 1502 S CA -0.905 57.315 58.200 0.033 0.000 1.039 1502 S CB 2.127 65.348 63.200 0.035 0.000 0.902 1502 S HN -0.230 nan 8.310 nan 0.000 0.516 1503 P HA -0.106 nan 4.420 nan 0.000 0.220 1503 P C 1.137 178.471 177.300 0.056 0.000 1.148 1503 P CA 0.969 64.094 63.100 0.042 0.000 0.803 1503 P CB -0.019 31.703 31.700 0.036 0.000 0.782 1504 E N -0.669 119.572 120.200 0.068 0.000 2.481 1504 E HA 0.064 4.414 4.350 -0.000 0.000 0.195 1504 E C 1.390 178.055 176.600 0.108 0.000 1.047 1504 E CA 0.781 57.241 56.400 0.100 0.000 0.867 1504 E CB -0.542 29.236 29.700 0.129 0.000 0.858 1504 E HN 0.219 nan 8.360 nan 0.000 0.513 1505 A N 0.846 123.711 122.820 0.075 0.000 2.259 1505 A HA 0.155 4.475 4.320 -0.000 0.000 0.213 1505 A C 0.624 178.245 177.584 0.062 0.000 1.209 1505 A CA -0.066 52.010 52.037 0.066 0.000 0.910 1505 A CB -0.018 19.008 19.000 0.044 0.000 0.946 1505 A HN 0.201 nan 8.150 nan 0.000 0.497 1506 N N -0.081 118.653 118.700 0.056 0.000 2.558 1506 N HA 0.468 5.208 4.740 -0.000 0.000 0.285 1506 N C -1.299 174.237 175.510 0.044 0.000 1.112 1506 N CA -0.346 52.732 53.050 0.047 0.000 0.857 1506 N CB 0.525 39.036 38.487 0.039 0.000 1.376 1506 N HN 0.247 nan 8.380 nan 0.000 0.526 1507 N N 0.000 118.726 118.700 0.044 0.000 1.763 1507 N HA 0.000 4.740 4.740 -0.000 0.000 0.220 1507 N CA 0.000 53.073 53.050 0.038 0.000 0.885 1507 N CB 0.000 38.507 38.487 0.033 0.000 1.341 1507 N HN 0.000 nan 8.380 nan 0.000 0.667