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 1ofd_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 VAEVSTLYDL DGVNSLEDAL TNLVKTAIAT VQAGAEILVL DATA SEQUENCE TDRPNGAILT ENQSFIPPLL AVGAVHHHLI RAGLRLKASL IVDTAQCWST DATA SEQUENCE HHFACLVGYG ASAICPYLAL ESVRQWWLDE KTQKLMENGR LDRIDLPTAL 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 0.000 174.893 174.990 -0.161 0.000 1.270 1 C CA 0.000 58.966 59.018 -0.087 0.000 1.963 1 C CB 0.000 27.655 27.740 -0.142 0.000 2.134 2 G N 0.040 108.691 108.800 -0.249 0.000 2.495 2 G HA2 0.772 4.719 3.960 -0.021 0.000 0.318 2 G HA3 0.772 4.719 3.960 -0.021 0.000 0.318 2 G C -1.583 173.181 174.900 -0.226 0.000 1.257 2 G CA -0.427 44.569 45.100 -0.173 0.000 0.962 2 G HN 1.216 nan 8.290 nan 0.000 0.483 3 V N 0.788 120.600 119.914 -0.170 0.000 3.087 3 V HA 1.006 5.114 4.120 -0.021 0.000 0.306 3 V C 0.070 175.894 176.094 -0.450 0.000 1.187 3 V CA 0.550 62.691 62.300 -0.266 0.000 0.999 3 V CB 2.129 33.884 31.823 -0.113 0.000 1.049 3 V HN 1.653 nan 8.190 nan 0.000 0.431 4 G N 3.348 111.583 108.800 -0.942 0.000 2.488 4 G HA2 0.703 4.651 3.960 -0.021 0.000 0.301 4 G HA3 0.703 4.651 3.960 -0.021 0.000 0.301 4 G C -1.738 172.779 174.900 -0.639 0.000 1.339 4 G CA -0.018 44.587 45.100 -0.825 0.000 0.803 4 G HN 1.679 nan 8.290 nan 0.000 0.482 5 F N -1.187 118.604 119.950 -0.265 0.000 2.626 5 F HA 0.892 5.407 4.527 -0.021 0.000 0.311 5 F C -1.347 174.508 175.800 0.091 0.000 1.088 5 F CA -1.715 56.260 58.000 -0.042 0.000 0.949 5 F CB 1.462 40.419 39.000 -0.070 0.000 1.322 5 F HN 0.471 nan 8.300 nan 0.000 0.461 6 I N 2.306 123.106 120.570 0.383 0.000 2.545 6 I HA 0.788 4.946 4.170 -0.021 0.000 0.292 6 I C -0.821 175.423 176.117 0.211 0.000 1.040 6 I CA -1.151 60.264 61.300 0.192 0.000 1.068 6 I CB 2.058 40.144 38.000 0.144 0.000 1.251 6 I HN 1.005 nan 8.210 nan 0.000 0.424 7 A N 4.049 126.869 122.820 0.000 0.000 2.422 7 A HA 0.636 4.943 4.320 -0.021 0.000 0.302 7 A C -1.211 176.101 177.584 -0.454 0.000 1.041 7 A CA -0.592 51.400 52.037 -0.075 0.000 0.708 7 A CB 1.512 20.546 19.000 0.056 0.000 1.257 7 A HN 0.637 nan 8.150 nan 0.000 0.414 8 N N 2.906 121.424 118.700 -0.305 0.000 2.546 8 N HA 0.328 5.056 4.740 -0.021 0.000 0.238 8 N C 0.464 175.957 175.510 -0.027 0.000 0.984 8 N CA -0.558 52.359 53.050 -0.222 0.000 0.935 8 N CB 0.451 38.950 38.487 0.019 0.000 1.122 8 N HN 0.571 nan 8.380 nan 0.000 0.510 9 L N 2.126 123.345 121.223 -0.006 0.000 2.209 9 L HA 0.137 4.465 4.340 -0.021 0.000 0.207 9 L C 1.562 178.458 176.870 0.043 0.000 1.094 9 L CA 0.743 55.592 54.840 0.016 0.000 0.790 9 L CB 0.031 42.099 42.059 0.014 0.000 0.932 9 L HN 0.498 nan 8.230 nan 0.000 0.447 10 R N -0.776 119.769 120.500 0.076 0.000 2.435 10 R HA 0.203 4.531 4.340 -0.021 0.000 0.221 10 R C 0.883 177.231 176.300 0.079 0.000 0.885 10 R CA 0.222 56.365 56.100 0.071 0.000 1.018 10 R CB 0.843 31.187 30.300 0.074 0.000 1.259 10 R HN 0.198 nan 8.270 nan 0.000 0.597 11 G N 1.939 110.804 108.800 0.109 0.000 2.547 11 G HA2 0.172 4.120 3.960 -0.021 0.000 0.291 11 G HA3 0.172 4.120 3.960 -0.021 0.000 0.291 11 G C -0.409 174.543 174.900 0.087 0.000 1.211 11 G CA -0.599 44.561 45.100 0.100 0.000 0.950 11 G HN -0.073 nan 8.290 nan 0.000 0.504 12 K N 0.640 121.084 120.400 0.074 0.000 2.401 12 K HA 0.167 4.475 4.320 -0.021 0.000 0.278 12 K C -2.663 173.986 176.600 0.082 0.000 1.018 12 K CA -1.553 54.773 56.287 0.066 0.000 0.981 12 K CB 0.296 32.828 32.500 0.054 0.000 0.933 12 K HN 0.082 nan 8.250 nan 0.000 0.477 13 P HA -0.053 nan 4.420 nan 0.000 0.262 13 P C -0.777 176.580 177.300 0.095 0.000 1.182 13 P CA 0.482 63.634 63.100 0.086 0.000 0.761 13 P CB 0.385 32.127 31.700 0.070 0.000 0.795 14 D N -0.467 120.002 120.400 0.115 0.000 2.592 14 D HA 0.126 4.753 4.640 -0.021 0.000 0.263 14 D C 0.507 176.906 176.300 0.165 0.000 1.132 14 D CA -0.558 53.520 54.000 0.130 0.000 0.996 14 D CB 0.299 41.170 40.800 0.118 0.000 1.442 14 D HN 0.387 nan 8.370 nan 0.000 0.486 15 H N -0.762 118.352 119.070 0.072 0.000 2.512 15 H HA -0.011 4.533 4.556 -0.021 0.000 0.279 15 H C 0.768 176.124 175.328 0.047 0.000 0.999 15 H CA 1.220 57.308 56.048 0.066 0.000 1.283 15 H CB 0.464 30.260 29.762 0.057 0.000 1.421 15 H HN 0.440 nan 8.280 nan 0.000 0.554 16 T N 2.647 117.210 114.554 0.015 0.000 2.665 16 T HA -0.168 4.169 4.350 -0.021 0.000 0.268 16 T C 2.162 176.834 174.700 -0.048 0.000 1.035 16 T CA 1.177 63.256 62.100 -0.035 0.000 1.151 16 T CB -0.443 68.440 68.868 0.024 0.000 0.862 16 T HN 0.226 nan 8.240 nan 0.000 0.438 17 L N 1.852 123.097 121.223 0.037 0.000 2.042 17 L HA -0.067 4.261 4.340 -0.021 0.000 0.210 17 L C 2.352 179.194 176.870 -0.045 0.000 1.076 17 L CA 1.713 56.599 54.840 0.076 0.000 0.749 17 L CB -1.442 40.690 42.059 0.122 0.000 0.893 17 L HN 0.166 nan 8.230 nan 0.000 0.432 18 V N 0.548 120.371 119.914 -0.150 0.000 2.343 18 V HA -0.259 3.848 4.120 -0.021 0.000 0.247 18 V C 2.628 178.546 176.094 -0.294 0.000 1.051 18 V CA 1.877 64.024 62.300 -0.255 0.000 1.036 18 V CB -0.614 30.998 31.823 -0.351 0.000 0.654 18 V HN 0.467 nan 8.190 nan 0.000 0.451 19 E N -0.133 119.844 120.200 -0.371 0.000 2.085 19 E HA -0.294 4.043 4.350 -0.021 0.000 0.194 19 E C 2.333 178.842 176.600 -0.152 0.000 0.994 19 E CA 1.514 57.764 56.400 -0.250 0.000 0.801 19 E CB -0.203 29.371 29.700 -0.210 0.000 0.743 19 E HN 0.671 nan 8.360 nan 0.000 0.453 20 Q N 0.167 119.899 119.800 -0.113 0.000 2.084 20 Q HA -0.152 4.176 4.340 -0.021 0.000 0.202 20 Q C 2.236 178.154 176.000 -0.138 0.000 0.978 20 Q CA 1.341 57.098 55.803 -0.077 0.000 0.844 20 Q CB -0.166 28.577 28.738 0.009 0.000 0.898 20 Q HN 0.254 nan 8.270 nan 0.000 0.426 21 A N 0.764 123.497 122.820 -0.145 0.000 1.933 21 A HA -0.143 4.165 4.320 -0.021 0.000 0.218 21 A C 2.039 179.436 177.584 -0.312 0.000 1.175 21 A CA 1.030 52.928 52.037 -0.232 0.000 0.628 21 A CB -0.591 18.366 19.000 -0.073 0.000 0.814 21 A HN 0.283 nan 8.150 nan 0.000 0.444 22 L N -1.020 120.084 121.223 -0.199 0.000 2.093 22 L HA -0.166 4.161 4.340 -0.021 0.000 0.208 22 L C 2.588 179.365 176.870 -0.154 0.000 1.085 22 L CA 1.845 56.594 54.840 -0.152 0.000 0.755 22 L CB -0.388 41.608 42.059 -0.106 0.000 0.904 22 L HN 0.407 nan 8.230 nan 0.000 0.435 23 K N 0.511 120.819 120.400 -0.153 0.000 2.057 23 K HA -0.102 4.205 4.320 -0.021 0.000 0.206 23 K C 2.142 178.645 176.600 -0.162 0.000 1.050 23 K CA 1.251 57.465 56.287 -0.120 0.000 0.935 23 K CB -0.137 32.311 32.500 -0.088 0.000 0.715 23 K HN 0.203 nan 8.250 nan 0.000 0.439 24 A N 1.005 123.660 122.820 -0.274 0.000 1.908 24 A HA -0.155 4.153 4.320 -0.021 0.000 0.218 24 A C 2.166 179.521 177.584 -0.382 0.000 1.181 24 A CA 1.513 53.330 52.037 -0.368 0.000 0.627 24 A CB -0.777 17.837 19.000 -0.645 0.000 0.818 24 A HN 0.359 nan 8.150 nan 0.000 0.445 25 L N -0.737 120.209 121.223 -0.461 0.000 2.042 25 L HA -0.189 4.138 4.340 -0.021 0.000 0.210 25 L C 2.801 179.617 176.870 -0.090 0.000 1.076 25 L CA 1.253 55.970 54.840 -0.204 0.000 0.749 25 L CB -0.715 41.274 42.059 -0.117 0.000 0.893 25 L HN 0.519 nan 8.230 nan 0.000 0.432 26 G N -1.340 107.409 108.800 -0.086 0.000 2.442 26 G HA2 -0.267 3.680 3.960 -0.021 0.000 0.219 26 G HA3 -0.267 3.680 3.960 -0.021 0.000 0.219 26 G C 1.470 176.365 174.900 -0.009 0.000 1.141 26 G CA 0.931 46.009 45.100 -0.035 0.000 0.763 26 G HN 0.463 nan 8.290 nan 0.000 0.554 27 C N 0.809 120.097 119.300 -0.020 0.000 2.491 27 C HA 0.245 4.693 4.460 -0.021 0.000 0.277 27 C C 2.309 177.328 174.990 0.048 0.000 1.455 27 C CA 0.322 59.361 59.018 0.035 0.000 1.758 27 C CB -0.622 27.128 27.740 0.016 0.000 1.745 27 C HN 0.402 nan 8.230 nan 0.000 0.558 28 M N -0.016 119.558 119.600 -0.044 0.000 2.333 28 M HA 0.083 4.551 4.480 -0.021 0.000 0.257 28 M C 1.742 177.892 176.300 -0.249 0.000 1.078 28 M CA 0.431 55.622 55.300 -0.180 0.000 1.005 28 M CB -0.589 31.973 32.600 -0.064 0.000 1.444 28 M HN 0.245 nan 8.290 nan 0.000 0.496 29 E N 1.843 121.987 120.200 -0.093 0.000 2.114 29 E HA -0.233 4.104 4.350 -0.021 0.000 0.199 29 E C 1.883 178.457 176.600 -0.044 0.000 1.008 29 E CA 1.925 58.303 56.400 -0.038 0.000 0.810 29 E CB -0.313 29.407 29.700 0.032 0.000 0.739 29 E HN 0.631 nan 8.360 nan 0.000 0.456 30 H N -1.009 118.066 119.070 0.008 0.000 2.546 30 H HA 0.122 4.666 4.556 -0.021 0.000 0.277 30 H C 1.321 176.699 175.328 0.083 0.000 1.004 30 H CA 0.894 56.955 56.048 0.022 0.000 1.231 30 H CB -0.144 29.599 29.762 -0.031 0.000 1.382 30 H HN 0.144 nan 8.280 nan 0.000 0.580 31 R N 0.901 121.227 120.500 -0.289 0.000 2.310 31 R HA 0.177 4.505 4.340 -0.021 0.000 0.202 31 R C 0.806 177.192 176.300 0.145 0.000 0.933 31 R CA 0.378 56.437 56.100 -0.068 0.000 1.054 31 R CB 0.685 30.869 30.300 -0.193 0.000 0.985 31 R HN 0.278 nan 8.270 nan 0.000 0.489 32 G N -0.652 108.184 108.800 0.061 0.000 2.667 32 G HA2 0.587 4.534 3.960 -0.021 0.000 0.310 32 G HA3 0.587 4.534 3.960 -0.021 0.000 0.310 32 G C -0.708 173.979 174.900 -0.355 0.000 1.259 32 G CA -0.476 44.618 45.100 -0.010 0.000 1.019 32 G HN 0.148 nan 8.290 nan 0.000 0.496 33 G N -2.120 106.323 108.800 -0.595 0.000 2.685 33 G HA2 0.532 4.479 3.960 -0.021 0.000 0.298 33 G HA3 0.532 4.479 3.960 -0.021 0.000 0.298 33 G C -1.220 173.447 174.900 -0.389 0.000 1.277 33 G CA -0.449 44.159 45.100 -0.820 0.000 0.986 33 G HN 0.838 nan 8.290 nan 0.000 0.487 34 C N -1.004 118.103 119.300 -0.321 0.000 2.971 34 C HA 0.787 5.235 4.460 -0.021 0.000 0.310 34 C C 0.881 175.778 174.990 -0.154 0.000 1.285 34 C CA -0.484 58.418 59.018 -0.193 0.000 1.593 34 C CB 1.552 29.206 27.740 -0.144 0.000 2.076 34 C HN 0.805 nan 8.230 nan 0.000 0.472 35 S N 0.828 116.458 115.700 -0.116 0.000 2.625 35 S HA 0.365 4.823 4.470 -0.021 0.000 0.262 35 S C 1.339 175.901 174.600 -0.063 0.000 1.223 35 S CA 0.152 58.302 58.200 -0.083 0.000 0.993 35 S CB 0.197 63.353 63.200 -0.073 0.000 1.051 35 S HN 0.965 nan 8.310 nan 0.000 0.562 36 A N 1.046 123.840 122.820 -0.042 0.000 2.019 36 A HA -0.126 4.181 4.320 -0.021 0.000 0.219 36 A C 1.497 179.067 177.584 -0.024 0.000 1.164 36 A CA 1.754 53.774 52.037 -0.028 0.000 0.644 36 A CB -0.906 18.084 19.000 -0.016 0.000 0.805 36 A HN 0.837 nan 8.150 nan 0.000 0.449 37 D N -1.209 119.175 120.400 -0.027 0.000 2.363 37 D HA -0.076 4.551 4.640 -0.021 0.000 0.226 37 D C 0.150 176.433 176.300 -0.027 0.000 1.020 37 D CA 0.447 54.434 54.000 -0.021 0.000 0.892 37 D CB -0.678 40.111 40.800 -0.018 0.000 0.900 37 D HN 0.267 nan 8.370 nan 0.000 0.531 38 N N 0.117 118.793 118.700 -0.040 0.000 2.725 38 N HA -0.203 4.524 4.740 -0.021 0.000 0.249 38 N C -0.102 175.381 175.510 -0.045 0.000 1.103 38 N CA 1.451 54.473 53.050 -0.046 0.000 0.707 38 N CB -1.081 37.386 38.487 -0.034 0.000 1.043 38 N HN 0.559 nan 8.380 nan 0.000 0.553 39 D N -1.698 118.672 120.400 -0.050 0.000 2.548 39 D HA 0.120 4.747 4.640 -0.021 0.000 0.223 39 D C -0.412 175.849 176.300 -0.065 0.000 1.346 39 D CA 0.442 54.415 54.000 -0.046 0.000 1.318 39 D CB -0.229 40.553 40.800 -0.029 0.000 1.669 39 D HN 0.039 nan 8.370 nan 0.000 0.416 40 S N 0.587 116.242 115.700 -0.074 0.000 2.549 40 S HA 0.537 4.994 4.470 -0.021 0.000 0.286 40 S C 0.546 175.065 174.600 -0.135 0.000 1.314 40 S CA 0.168 58.301 58.200 -0.111 0.000 1.062 40 S CB 1.135 64.273 63.200 -0.102 0.000 0.865 40 S HN 0.363 nan 8.310 nan 0.000 0.498 41 G N 0.846 109.544 108.800 -0.172 0.000 2.437 41 G HA2 0.347 4.294 3.960 -0.021 0.000 0.319 41 G HA3 0.347 4.294 3.960 -0.021 0.000 0.319 41 G C -0.044 174.744 174.900 -0.187 0.000 1.158 41 G CA -0.732 44.268 45.100 -0.166 0.000 0.899 41 G HN 0.609 nan 8.290 nan 0.000 0.502 42 D N -0.258 120.048 120.400 -0.157 0.000 2.378 42 D HA 0.204 4.831 4.640 -0.021 0.000 0.222 42 D C 1.283 177.526 176.300 -0.094 0.000 0.980 42 D CA 1.626 55.553 54.000 -0.122 0.000 0.907 42 D CB 0.214 40.956 40.800 -0.096 0.000 0.899 42 D HN 0.852 nan 8.370 nan 0.000 0.527 43 G N -0.790 107.949 108.800 -0.102 0.000 2.312 43 G HA2 0.460 4.408 3.960 -0.021 0.000 0.322 43 G HA3 0.460 4.408 3.960 -0.021 0.000 0.322 43 G C -1.595 173.325 174.900 0.034 0.000 1.645 43 G CA -0.388 44.679 45.100 -0.055 0.000 0.919 43 G HN 0.333 nan 8.290 nan 0.000 0.699 44 A N 0.021 122.872 122.820 0.052 0.000 2.549 44 A HA 1.169 5.476 4.320 -0.021 0.000 0.297 44 A C 0.128 177.827 177.584 0.191 0.000 1.061 44 A CA 0.195 52.312 52.037 0.133 0.000 0.690 44 A CB 1.810 20.862 19.000 0.086 0.000 1.287 44 A HN 2.607 nan 8.150 nan 0.000 0.402 45 G N -1.067 107.873 108.800 0.233 0.000 2.601 45 G HA2 0.682 4.629 3.960 -0.021 0.000 0.291 45 G HA3 0.682 4.629 3.960 -0.021 0.000 0.291 45 G C -1.973 173.070 174.900 0.238 0.000 1.456 45 G CA 0.071 45.319 45.100 0.247 0.000 0.804 45 G HN 1.902 nan 8.290 nan 0.000 0.499 46 V N 1.464 121.501 119.914 0.205 0.000 2.808 46 V HA 0.812 4.920 4.120 -0.021 0.000 0.308 46 V C -0.618 175.561 176.094 0.142 0.000 1.099 46 V CA -0.945 61.455 62.300 0.166 0.000 0.920 46 V CB 1.806 33.677 31.823 0.081 0.000 1.014 46 V HN 1.001 nan 8.190 nan 0.000 0.425 47 M N 6.527 126.200 119.600 0.121 0.000 2.300 47 M HA 0.723 5.190 4.480 -0.021 0.000 0.348 47 M C -0.337 175.888 176.300 -0.124 0.000 1.151 47 M CA 0.062 55.416 55.300 0.091 0.000 1.046 47 M CB 1.616 34.320 32.600 0.174 0.000 1.647 47 M HN 0.954 nan 8.290 nan 0.000 0.451 48 T N 1.558 115.995 114.554 -0.194 0.000 2.804 48 T HA 0.850 5.188 4.350 -0.021 0.000 0.290 48 T C -0.202 174.233 174.700 -0.442 0.000 1.099 48 T CA -0.836 60.925 62.100 -0.565 0.000 1.011 48 T CB 1.145 69.944 68.868 -0.115 0.000 1.291 48 T HN 0.835 nan 8.240 nan 0.000 0.523 49 A N 0.342 122.923 122.820 -0.397 0.000 2.327 49 A HA 0.611 4.918 4.320 -0.021 0.000 0.255 49 A C 0.406 177.995 177.584 0.008 0.000 1.099 49 A CA -0.759 51.301 52.037 0.039 0.000 0.801 49 A CB -0.624 18.456 19.000 0.134 0.000 1.062 49 A HN 0.832 nan 8.150 nan 0.000 0.496 50 I N 1.778 122.361 120.570 0.023 0.000 2.668 50 I HA 0.100 4.258 4.170 -0.021 0.000 0.285 50 I C -1.485 174.553 176.117 -0.132 0.000 1.168 50 I CA -0.919 60.361 61.300 -0.033 0.000 1.424 50 I CB 0.795 38.787 38.000 -0.013 0.000 1.377 50 I HN 0.430 nan 8.210 nan 0.000 0.560 51 P HA 0.102 nan 4.420 nan 0.000 0.244 51 P C 0.406 177.564 177.300 -0.237 0.000 1.769 51 P CA -0.108 62.703 63.100 -0.483 0.000 1.102 51 P CB 0.297 31.334 31.700 -1.105 0.000 1.937 52 R N 2.306 122.725 120.500 -0.135 0.000 2.083 52 R HA -0.181 4.147 4.340 -0.021 0.000 0.237 52 R C 2.013 178.285 176.300 -0.047 0.000 1.137 52 R CA 1.603 57.658 56.100 -0.074 0.000 0.951 52 R CB -0.183 30.081 30.300 -0.061 0.000 0.851 52 R HN 0.307 nan 8.270 nan 0.000 0.434 53 E N 0.028 120.198 120.200 -0.050 0.000 2.097 53 E HA -0.243 4.094 4.350 -0.021 0.000 0.196 53 E C 1.923 178.524 176.600 0.002 0.000 1.000 53 E CA 1.324 57.713 56.400 -0.018 0.000 0.804 53 E CB -0.011 29.679 29.700 -0.016 0.000 0.740 53 E HN 0.191 nan 8.360 nan 0.000 0.454 54 L N 0.475 121.677 121.223 -0.035 0.000 2.027 54 L HA -0.154 4.173 4.340 -0.021 0.000 0.206 54 L C 2.224 179.140 176.870 0.078 0.000 1.074 54 L CA 1.442 56.284 54.840 0.003 0.000 0.745 54 L CB -0.339 41.680 42.059 -0.066 0.000 0.898 54 L HN 0.211 nan 8.230 nan 0.000 0.433 55 L N -1.360 119.908 121.223 0.074 0.000 2.291 55 L HA -0.112 4.215 4.340 -0.021 0.000 0.214 55 L C 2.567 179.663 176.870 0.377 0.000 1.120 55 L CA 0.746 55.702 54.840 0.193 0.000 0.799 55 L CB -0.860 41.287 42.059 0.146 0.000 0.925 55 L HN 0.283 nan 8.230 nan 0.000 0.446 56 A N 0.181 123.140 122.820 0.231 0.000 1.948 56 A HA -0.265 4.042 4.320 -0.021 0.000 0.220 56 A C 2.262 180.017 177.584 0.284 0.000 1.177 56 A CA 1.656 53.832 52.037 0.233 0.000 0.636 56 A CB -0.397 18.655 19.000 0.087 0.000 0.815 56 A HN 0.534 nan 8.150 nan 0.000 0.449 57 Q N -2.149 117.787 119.800 0.227 0.000 2.084 57 Q HA -0.242 4.086 4.340 -0.021 0.000 0.202 57 Q C 1.978 178.115 176.000 0.227 0.000 0.978 57 Q CA 1.611 57.525 55.803 0.185 0.000 0.844 57 Q CB -0.334 28.486 28.738 0.137 0.000 0.898 57 Q HN 0.899 nan 8.270 nan 0.000 0.426 58 W N 0.765 122.121 121.300 0.092 0.000 2.338 58 W HA -0.208 4.440 4.660 -0.021 0.000 0.304 58 W C 1.497 177.991 176.519 -0.041 0.000 1.212 58 W CA 1.391 58.741 57.345 0.008 0.000 1.264 58 W CB -0.209 29.227 29.460 -0.041 0.000 1.142 58 W HN 0.015 nan 8.180 nan 0.000 0.512 59 F N 0.599 120.755 119.950 0.343 0.000 2.146 59 F HA -0.173 4.341 4.527 -0.021 0.000 0.298 59 F C 2.217 178.011 175.800 -0.010 0.000 1.096 59 F CA 2.122 60.218 58.000 0.160 0.000 1.275 59 F CB -1.299 37.831 39.000 0.217 0.000 1.008 59 F HN -0.161 nan 8.300 nan 0.000 0.480 60 N N -0.605 118.216 118.700 0.202 0.000 2.104 60 N HA -0.173 4.555 4.740 -0.021 0.000 0.190 60 N C 1.689 177.195 175.510 -0.007 0.000 1.024 60 N CA 2.001 55.102 53.050 0.085 0.000 0.853 60 N CB -0.353 38.183 38.487 0.081 0.000 1.008 60 N HN 0.080 nan 8.380 nan 0.000 0.424 61 T N -0.258 114.260 114.554 -0.060 0.000 2.833 61 T HA -0.055 4.282 4.350 -0.021 0.000 0.269 61 T C 1.536 176.124 174.700 -0.187 0.000 1.054 61 T CA 1.103 63.130 62.100 -0.122 0.000 1.135 61 T CB -0.059 68.719 68.868 -0.151 0.000 0.869 61 T HN 0.212 nan 8.240 nan 0.000 0.466 62 R N 0.610 120.946 120.500 -0.275 0.000 2.334 62 R HA 0.213 4.540 4.340 -0.021 0.000 0.216 62 R C 0.542 176.756 176.300 -0.144 0.000 0.905 62 R CA -0.051 55.870 56.100 -0.299 0.000 1.064 62 R CB 0.079 30.031 30.300 -0.581 0.000 1.046 62 R HN 0.173 nan 8.270 nan 0.000 0.508 63 N N 0.290 118.950 118.700 -0.065 0.000 2.740 63 N HA -0.187 4.541 4.740 -0.021 0.000 0.248 63 N C -1.606 173.922 175.510 0.030 0.000 1.062 63 N CA 0.446 53.491 53.050 -0.008 0.000 0.704 63 N CB -0.601 37.876 38.487 -0.018 0.000 0.968 63 N HN 0.012 nan 8.380 nan 0.000 0.547 64 L N 0.937 122.211 121.223 0.086 0.000 2.322 64 L HA 0.629 4.956 4.340 -0.021 0.000 0.281 64 L C -1.851 175.199 176.870 0.299 0.000 1.014 64 L CA -2.075 52.880 54.840 0.192 0.000 0.815 64 L CB 1.180 43.361 42.059 0.204 0.000 1.247 64 L HN 0.029 nan 8.230 nan 0.000 0.421 65 P HA 0.116 nan 4.420 nan 0.000 0.271 65 P C -0.596 176.726 177.300 0.037 0.000 1.220 65 P CA -0.303 62.859 63.100 0.103 0.000 0.768 65 P CB 0.558 32.295 31.700 0.061 0.000 0.848 66 M N 5.447 124.911 119.600 -0.227 0.000 2.146 66 M HA 0.302 4.770 4.480 -0.021 0.000 0.357 66 M C -2.202 173.886 176.300 -0.354 0.000 1.261 66 M CA -2.009 52.869 55.300 -0.704 0.000 1.106 66 M CB 0.733 32.868 32.600 -0.775 0.000 1.612 66 M HN 0.183 nan 8.290 nan 0.000 0.470 67 P HA 0.149 nan 4.420 nan 0.000 0.272 67 P C -1.158 176.054 177.300 -0.147 0.000 1.223 67 P CA -0.310 62.707 63.100 -0.137 0.000 0.784 67 P CB 0.395 32.054 31.700 -0.068 0.000 0.923 68 D N 0.364 120.708 120.400 -0.093 0.000 2.406 68 D HA -0.002 4.625 4.640 -0.021 0.000 0.234 68 D C 1.819 178.076 176.300 -0.073 0.000 1.196 68 D CA 0.593 54.547 54.000 -0.077 0.000 0.881 68 D CB 0.189 40.957 40.800 -0.053 0.000 1.205 68 D HN 0.480 nan 8.370 nan 0.000 0.453 69 G N 0.624 109.388 108.800 -0.060 0.000 2.440 69 G HA2 -0.248 3.700 3.960 -0.021 0.000 0.218 69 G HA3 -0.248 3.700 3.960 -0.021 0.000 0.218 69 G C 0.921 175.800 174.900 -0.036 0.000 1.154 69 G CA 0.515 45.586 45.100 -0.048 0.000 0.767 69 G HN 0.421 nan 8.290 nan 0.000 0.552 70 D N -0.280 120.099 120.400 -0.035 0.000 2.349 70 D HA 0.080 4.707 4.640 -0.021 0.000 0.224 70 D C 2.128 178.404 176.300 -0.038 0.000 1.029 70 D CA 0.192 54.172 54.000 -0.033 0.000 0.879 70 D CB 0.188 40.969 40.800 -0.032 0.000 0.906 70 D HN 0.305 nan 8.370 nan 0.000 0.528 71 R N -0.237 120.238 120.500 -0.041 0.000 2.437 71 R HA 0.169 4.497 4.340 -0.021 0.000 0.257 71 R C -0.068 176.212 176.300 -0.033 0.000 0.927 71 R CA -0.331 55.745 56.100 -0.040 0.000 1.078 71 R CB 0.963 31.240 30.300 -0.039 0.000 1.161 71 R HN -0.039 nan 8.270 nan 0.000 0.529 72 L N 0.975 122.180 121.223 -0.031 0.000 2.277 72 L HA 0.486 4.814 4.340 -0.021 0.000 0.284 72 L C -0.216 176.654 176.870 -0.000 0.000 1.028 72 L CA -0.462 54.373 54.840 -0.009 0.000 0.835 72 L CB 1.376 43.423 42.059 -0.021 0.000 1.215 72 L HN -0.023 nan 8.230 nan 0.000 0.425 73 G N 4.582 113.386 108.800 0.007 0.000 2.390 73 G HA2 0.535 4.482 3.960 -0.021 0.000 0.270 73 G HA3 0.535 4.482 3.960 -0.021 0.000 0.270 73 G C -1.112 173.858 174.900 0.116 0.000 1.211 73 G CA -0.341 44.781 45.100 0.038 0.000 0.842 73 G HN 0.500 nan 8.290 nan 0.000 0.519 74 V N 1.580 121.581 119.914 0.144 0.000 2.531 74 V HA 0.734 4.842 4.120 -0.021 0.000 0.301 74 V C 0.585 176.672 176.094 -0.012 0.000 1.034 74 V CA -0.652 61.659 62.300 0.018 0.000 0.865 74 V CB 1.764 33.555 31.823 -0.054 0.000 0.995 74 V HN 0.964 nan 8.190 nan 0.000 0.424 75 G N 3.606 112.122 108.800 -0.474 0.000 2.368 75 G HA2 0.591 4.539 3.960 -0.021 0.000 0.320 75 G HA3 0.591 4.539 3.960 -0.021 0.000 0.320 75 G C -0.773 173.803 174.900 -0.540 0.000 1.158 75 G CA -0.651 43.910 45.100 -0.898 0.000 0.912 75 G HN 0.590 nan 8.290 nan 0.000 0.456 76 M N 3.953 123.314 119.600 -0.398 0.000 2.077 76 M HA 0.504 4.972 4.480 -0.021 0.000 0.348 76 M C -0.868 175.244 176.300 -0.313 0.000 1.252 76 M CA -0.587 54.520 55.300 -0.322 0.000 1.096 76 M CB 0.972 33.361 32.600 -0.351 0.000 1.568 76 M HN 0.150 nan 8.290 nan 0.000 0.456 77 V N 6.466 126.305 119.914 -0.126 0.000 2.540 77 V HA 0.476 4.584 4.120 -0.021 0.000 0.302 77 V C -0.610 175.644 176.094 0.266 0.000 1.035 77 V CA -0.686 61.608 62.300 -0.009 0.000 0.873 77 V CB 1.626 33.551 31.823 0.170 0.000 0.992 77 V HN 0.672 nan 8.190 nan 0.000 0.428 78 F N 4.961 124.993 119.950 0.136 0.000 2.411 78 F HA 0.590 5.104 4.527 -0.021 0.000 0.355 78 F C 0.070 176.012 175.800 0.236 0.000 1.117 78 F CA -0.614 57.495 58.000 0.182 0.000 1.139 78 F CB 1.064 40.223 39.000 0.264 0.000 1.120 78 F HN 0.246 nan 8.300 nan 0.000 0.493 79 L N 4.646 126.093 121.223 0.374 0.000 2.301 79 L HA 0.535 4.863 4.340 -0.021 0.000 0.264 79 L C -2.503 174.477 176.870 0.183 0.000 1.016 79 L CA -2.582 52.442 54.840 0.307 0.000 0.821 79 L CB 1.814 44.003 42.059 0.217 0.000 1.346 79 L HN 0.297 nan 8.230 nan 0.000 0.429 80 P HA -0.003 nan 4.420 nan 0.000 0.266 80 P C -0.183 177.117 177.300 0.001 0.000 1.195 80 P CA -0.115 63.003 63.100 0.030 0.000 0.768 80 P CB 0.500 32.184 31.700 -0.025 0.000 0.838 81 Q N 1.155 120.945 119.800 -0.017 0.000 2.079 81 Q HA -0.122 4.205 4.340 -0.021 0.000 0.200 81 Q C 0.656 176.606 176.000 -0.082 0.000 0.974 81 Q CA 1.238 57.015 55.803 -0.043 0.000 0.840 81 Q CB -0.240 28.475 28.738 -0.039 0.000 0.898 81 Q HN 0.543 nan 8.270 nan 0.000 0.430 82 E N 1.726 121.885 120.200 -0.067 0.000 2.328 82 E HA -0.018 4.319 4.350 -0.021 0.000 0.265 82 E C -1.854 174.688 176.600 -0.097 0.000 1.057 82 E CA -1.620 54.736 56.400 -0.072 0.000 0.916 82 E CB 1.133 30.799 29.700 -0.056 0.000 0.993 82 E HN -0.057 nan 8.360 nan 0.000 0.446 83 P HA -0.225 nan 4.420 nan 0.000 0.216 83 P C 1.485 178.717 177.300 -0.113 0.000 1.154 83 P CA 2.076 65.098 63.100 -0.129 0.000 0.865 83 P CB 0.123 31.757 31.700 -0.110 0.000 0.789 84 S N -0.567 115.080 115.700 -0.088 0.000 2.355 84 S HA -0.135 4.322 4.470 -0.021 0.000 0.222 84 S C 2.136 176.681 174.600 -0.091 0.000 1.031 84 S CA 1.312 59.463 58.200 -0.081 0.000 0.993 84 S CB -1.486 61.676 63.200 -0.063 0.000 0.859 84 S HN 0.116 nan 8.310 nan 0.000 0.453 85 A N 2.353 125.119 122.820 -0.091 0.000 1.940 85 A HA -0.095 4.213 4.320 -0.021 0.000 0.219 85 A C 2.357 179.863 177.584 -0.131 0.000 1.176 85 A CA 1.641 53.615 52.037 -0.106 0.000 0.631 85 A CB -0.890 18.058 19.000 -0.087 0.000 0.814 85 A HN 0.647 nan 8.150 nan 0.000 0.446 86 R N -0.618 119.807 120.500 -0.126 0.000 2.081 86 R HA -0.156 4.171 4.340 -0.021 0.000 0.235 86 R C 1.739 177.937 176.300 -0.171 0.000 1.131 86 R CA 1.650 57.664 56.100 -0.143 0.000 0.960 86 R CB -0.162 30.034 30.300 -0.173 0.000 0.856 86 R HN 0.420 nan 8.270 nan 0.000 0.436 87 E N 0.066 120.173 120.200 -0.155 0.000 2.152 87 E HA -0.090 4.247 4.350 -0.021 0.000 0.192 87 E C 2.039 178.572 176.600 -0.112 0.000 0.983 87 E CA 0.769 57.083 56.400 -0.143 0.000 0.818 87 E CB -0.136 29.497 29.700 -0.111 0.000 0.758 87 E HN 0.179 nan 8.360 nan 0.000 0.467 88 V N 1.451 121.297 119.914 -0.114 0.000 2.343 88 V HA -0.234 3.873 4.120 -0.021 0.000 0.247 88 V C 2.364 178.376 176.094 -0.136 0.000 1.051 88 V CA 1.761 63.998 62.300 -0.105 0.000 1.036 88 V CB -0.777 30.974 31.823 -0.120 0.000 0.654 88 V HN 0.240 nan 8.190 nan 0.000 0.451 89 A N -0.007 122.667 122.820 -0.242 0.000 1.873 89 A HA -0.241 4.067 4.320 -0.021 0.000 0.215 89 A C 2.420 179.977 177.584 -0.046 0.000 1.186 89 A CA 1.964 53.758 52.037 -0.405 0.000 0.616 89 A CB -0.573 18.103 19.000 -0.540 0.000 0.823 89 A HN 0.470 nan 8.150 nan 0.000 0.442 90 R N -0.274 120.183 120.500 -0.072 0.000 2.083 90 R HA -0.136 4.192 4.340 -0.021 0.000 0.237 90 R C 2.289 178.667 176.300 0.131 0.000 1.137 90 R CA 1.572 57.630 56.100 -0.070 0.000 0.951 90 R CB -0.454 29.606 30.300 -0.400 0.000 0.851 90 R HN 0.426 nan 8.270 nan 0.000 0.434 91 A N 0.037 122.901 122.820 0.074 0.000 1.940 91 A HA -0.226 4.082 4.320 -0.021 0.000 0.219 91 A C 2.007 179.707 177.584 0.193 0.000 1.176 91 A CA 1.348 53.459 52.037 0.123 0.000 0.631 91 A CB -0.848 18.195 19.000 0.073 0.000 0.814 91 A HN 0.610 nan 8.150 nan 0.000 0.446 92 Y N 0.583 120.933 120.300 0.082 0.000 2.181 92 Y HA -0.164 4.373 4.550 -0.021 0.000 0.288 92 Y C 2.432 178.475 175.900 0.239 0.000 1.146 92 Y CA 1.633 59.815 58.100 0.135 0.000 1.164 92 Y CB -0.455 38.066 38.460 0.102 0.000 0.982 92 Y HN 0.072 nan 8.280 nan 0.000 0.515 93 V N 0.610 120.705 119.914 0.302 0.000 2.287 93 V HA -0.331 3.777 4.120 -0.021 0.000 0.248 93 V C 2.226 178.423 176.094 0.171 0.000 1.053 93 V CA 2.405 64.869 62.300 0.274 0.000 1.027 93 V CB -0.634 31.484 31.823 0.492 0.000 0.646 93 V HN 0.425 nan 8.190 nan 0.000 0.447 94 E N -0.292 120.050 120.200 0.237 0.000 2.077 94 E HA -0.284 4.053 4.350 -0.021 0.000 0.193 94 E C 2.270 178.914 176.600 0.074 0.000 0.989 94 E CA 1.394 57.901 56.400 0.178 0.000 0.800 94 E CB -0.164 29.680 29.700 0.240 0.000 0.746 94 E HN 0.725 nan 8.360 nan 0.000 0.452 95 E N 0.862 121.083 120.200 0.035 0.000 2.085 95 E HA -0.197 4.140 4.350 -0.021 0.000 0.194 95 E C 2.239 178.790 176.600 -0.080 0.000 0.994 95 E CA 1.525 57.916 56.400 -0.015 0.000 0.801 95 E CB 0.029 29.726 29.700 -0.005 0.000 0.743 95 E HN 0.191 nan 8.360 nan 0.000 0.453 96 V N -0.457 119.349 119.914 -0.180 0.000 2.548 96 V HA -0.121 3.986 4.120 -0.021 0.000 0.249 96 V C 2.123 178.175 176.094 -0.070 0.000 1.055 96 V CA 1.412 63.615 62.300 -0.163 0.000 1.065 96 V CB 0.091 31.758 31.823 -0.261 0.000 0.681 96 V HN 0.198 nan 8.190 nan 0.000 0.462 97 V N 0.798 120.700 119.914 -0.019 0.000 2.287 97 V HA -0.241 3.866 4.120 -0.021 0.000 0.248 97 V C 2.901 178.979 176.094 -0.027 0.000 1.053 97 V CA 2.766 65.063 62.300 -0.006 0.000 1.027 97 V CB -0.882 30.982 31.823 0.069 0.000 0.646 97 V HN 0.533 nan 8.190 nan 0.000 0.447 98 R N -0.831 119.664 120.500 -0.009 0.000 2.105 98 R HA -0.146 4.182 4.340 -0.021 0.000 0.239 98 R C 2.115 178.402 176.300 -0.022 0.000 1.135 98 R CA 1.191 57.286 56.100 -0.008 0.000 0.967 98 R CB -0.405 29.900 30.300 0.009 0.000 0.861 98 R HN 0.293 nan 8.270 nan 0.000 0.442 99 L N 1.187 122.392 121.223 -0.030 0.000 2.275 99 L HA -0.108 4.220 4.340 -0.021 0.000 0.215 99 L C 1.171 178.013 176.870 -0.046 0.000 1.119 99 L CA 1.667 56.487 54.840 -0.032 0.000 0.790 99 L CB -0.463 41.577 42.059 -0.031 0.000 0.919 99 L HN 0.159 nan 8.230 nan 0.000 0.443 100 E N -0.392 119.770 120.200 -0.063 0.000 2.437 100 E HA -0.001 4.337 4.350 -0.021 0.000 0.189 100 E C 0.114 176.666 176.600 -0.081 0.000 1.054 100 E CA -0.155 56.194 56.400 -0.085 0.000 0.874 100 E CB 0.168 29.798 29.700 -0.117 0.000 1.011 100 E HN 0.239 nan 8.360 nan 0.000 0.474 101 K N 0.008 120.373 120.400 -0.058 0.000 3.192 101 K HA -0.198 4.110 4.320 -0.021 0.000 0.278 101 K C -0.386 176.184 176.600 -0.050 0.000 1.164 101 K CA 0.459 56.717 56.287 -0.048 0.000 0.816 101 K CB -2.057 30.413 32.500 -0.049 0.000 1.256 101 K HN 0.209 nan 8.250 nan 0.000 0.497 102 L N 0.320 121.510 121.223 -0.054 0.000 2.352 102 L HA 0.409 4.737 4.340 -0.021 0.000 0.269 102 L C 0.730 177.587 176.870 -0.021 0.000 1.034 102 L CA -0.761 54.048 54.840 -0.051 0.000 0.806 102 L CB 1.679 43.686 42.059 -0.087 0.000 1.244 102 L HN -0.098 nan 8.230 nan 0.000 0.447 103 T N 0.862 115.411 114.554 -0.009 0.000 2.823 103 T HA 0.409 4.747 4.350 -0.021 0.000 0.279 103 T C -0.340 174.372 174.700 0.020 0.000 0.998 103 T CA -0.417 61.691 62.100 0.014 0.000 0.994 103 T CB 1.803 70.685 68.868 0.024 0.000 0.960 103 T HN 0.176 nan 8.240 nan 0.000 0.448 104 V N 5.404 125.336 119.914 0.030 0.000 2.385 104 V HA 0.211 4.319 4.120 -0.021 0.000 0.269 104 V C 1.197 177.317 176.094 0.044 0.000 1.043 104 V CA -0.167 62.141 62.300 0.013 0.000 0.906 104 V CB 0.798 32.642 31.823 0.035 0.000 0.995 104 V HN 0.847 nan 8.190 nan 0.000 0.467 105 L N 4.075 125.319 121.223 0.034 0.000 2.209 105 L HA 0.416 4.743 4.340 -0.021 0.000 0.207 105 L C 1.163 178.159 176.870 0.210 0.000 1.094 105 L CA 1.094 56.008 54.840 0.122 0.000 0.790 105 L CB -0.141 42.015 42.059 0.161 0.000 0.932 105 L HN 0.885 nan 8.230 nan 0.000 0.447 106 G N -1.973 106.896 108.800 0.115 0.000 2.356 106 G HA2 0.097 4.045 3.960 -0.021 0.000 0.288 106 G HA3 0.097 4.045 3.960 -0.021 0.000 0.288 106 G C -2.442 172.459 174.900 0.002 0.000 1.302 106 G CA -0.951 44.320 45.100 0.285 0.000 0.887 106 G HN -0.057 nan 8.290 nan 0.000 0.521 107 W N 0.149 121.577 121.300 0.214 0.000 2.736 107 W HA 0.787 5.434 4.660 -0.021 0.000 0.335 107 W C 0.415 177.026 176.519 0.153 0.000 1.059 107 W CA -0.753 56.622 57.345 0.050 0.000 1.226 107 W CB 2.026 31.535 29.460 0.081 0.000 1.416 107 W HN 0.576 nan 8.180 nan 0.000 0.505 108 R N 2.525 123.071 120.500 0.076 0.000 2.387 108 R HA 0.290 4.617 4.340 -0.021 0.000 0.314 108 R C -0.455 175.955 176.300 0.183 0.000 0.958 108 R CA -0.619 55.538 56.100 0.096 0.000 0.846 108 R CB 1.228 31.296 30.300 -0.387 0.000 1.147 108 R HN 0.641 nan 8.270 nan 0.000 0.447 109 E N 3.604 123.945 120.200 0.236 0.000 2.257 109 E HA 0.094 4.432 4.350 -0.021 0.000 0.278 109 E C -0.816 175.853 176.600 0.114 0.000 1.049 109 E CA -0.504 55.995 56.400 0.165 0.000 0.876 109 E CB 1.054 30.860 29.700 0.177 0.000 1.035 109 E HN 0.348 nan 8.360 nan 0.000 0.419 110 V N 8.024 127.978 119.914 0.068 0.000 2.470 110 V HA 0.157 4.264 4.120 -0.021 0.000 0.276 110 V C -1.909 174.229 176.094 0.073 0.000 1.040 110 V CA -1.383 60.981 62.300 0.105 0.000 1.008 110 V CB 0.643 32.549 31.823 0.139 0.000 0.990 110 V HN 0.736 nan 8.190 nan 0.000 0.477 111 P HA 0.294 nan 4.420 nan 0.000 0.276 111 P C -0.718 176.553 177.300 -0.049 0.000 1.253 111 P CA 0.128 63.250 63.100 0.037 0.000 0.766 111 P CB 1.058 32.801 31.700 0.071 0.000 0.845 112 V N 0.520 120.324 119.914 -0.182 0.000 3.007 112 V HA 0.674 4.781 4.120 -0.021 0.000 0.311 112 V C -0.767 175.151 176.094 -0.294 0.000 1.120 112 V CA -1.057 60.946 62.300 -0.496 0.000 0.980 112 V CB 2.522 33.761 31.823 -0.973 0.000 1.033 112 V HN 0.355 nan 8.190 nan 0.000 0.429 113 N N 1.769 120.302 118.700 -0.278 0.000 2.706 113 N HA 0.377 5.104 4.740 -0.021 0.000 0.240 113 N C 0.639 176.263 175.510 0.189 0.000 1.039 113 N CA 0.124 53.165 53.050 -0.015 0.000 0.888 113 N CB 1.340 39.843 38.487 0.026 0.000 1.128 113 N HN 0.730 nan 8.380 nan 0.000 0.512 114 S N 1.745 117.569 115.700 0.207 0.000 2.474 114 S HA -0.098 4.359 4.470 -0.021 0.000 0.235 114 S C 0.899 175.606 174.600 0.179 0.000 0.997 114 S CA 0.748 59.127 58.200 0.298 0.000 0.949 114 S CB -0.012 63.301 63.200 0.190 0.000 0.766 114 S HN 0.632 nan 8.310 nan 0.000 0.517 115 D N 0.917 121.394 120.400 0.128 0.000 2.310 115 D HA -0.072 4.556 4.640 -0.021 0.000 0.212 115 D C 1.833 178.184 176.300 0.085 0.000 0.965 115 D CA 0.771 54.823 54.000 0.087 0.000 0.879 115 D CB 0.002 40.840 40.800 0.064 0.000 0.921 115 D HN 0.406 nan 8.370 nan 0.000 0.510 116 V N -1.288 118.697 119.914 0.118 0.000 3.461 116 V HA 0.110 4.218 4.120 -0.021 0.000 0.267 116 V C 0.735 176.868 176.094 0.065 0.000 1.186 116 V CA 0.157 62.514 62.300 0.096 0.000 1.154 116 V CB -0.823 31.073 31.823 0.122 0.000 0.802 116 V HN 0.010 nan 8.190 nan 0.000 0.474 117 L N 1.746 123.006 121.223 0.061 0.000 2.436 117 L HA 0.595 4.922 4.340 -0.021 0.000 0.265 117 L C 1.269 178.137 176.870 -0.003 0.000 1.168 117 L CA 0.324 55.160 54.840 -0.006 0.000 0.815 117 L CB 0.255 42.303 42.059 -0.019 0.000 1.109 117 L HN 0.314 nan 8.230 nan 0.000 0.462 118 G N 0.692 109.475 108.800 -0.029 0.000 2.569 118 G HA2 0.168 4.115 3.960 -0.021 0.000 0.249 118 G HA3 0.168 4.115 3.960 -0.021 0.000 0.249 118 G C 0.835 175.733 174.900 -0.003 0.000 1.216 118 G CA -0.422 44.666 45.100 -0.021 0.000 0.845 118 G HN 0.811 nan 8.290 nan 0.000 0.568 119 I N 0.104 120.675 120.570 0.002 0.000 2.194 119 I HA -0.257 3.900 4.170 -0.021 0.000 0.246 119 I C 2.726 178.854 176.117 0.018 0.000 1.093 119 I CA 1.710 63.017 61.300 0.011 0.000 1.355 119 I CB 0.035 38.040 38.000 0.009 0.000 1.046 119 I HN 0.685 nan 8.210 nan 0.000 0.413 120 Q N 0.290 120.096 119.800 0.010 0.000 2.079 120 Q HA -0.172 4.156 4.340 -0.021 0.000 0.200 120 Q C 2.366 178.402 176.000 0.061 0.000 0.974 120 Q CA 1.627 57.443 55.803 0.022 0.000 0.840 120 Q CB -0.293 28.445 28.738 0.000 0.000 0.898 120 Q HN 0.698 nan 8.270 nan 0.000 0.430 121 A N 1.356 124.206 122.820 0.051 0.000 1.933 121 A HA -0.203 4.105 4.320 -0.021 0.000 0.218 121 A C 2.002 179.734 177.584 0.247 0.000 1.175 121 A CA 1.371 53.506 52.037 0.163 0.000 0.628 121 A CB -0.339 18.654 19.000 -0.012 0.000 0.814 121 A HN 0.141 nan 8.150 nan 0.000 0.444 122 K N -0.414 120.048 120.400 0.104 0.000 2.057 122 K HA -0.142 4.165 4.320 -0.021 0.000 0.206 122 K C 1.507 178.126 176.600 0.032 0.000 1.050 122 K CA 1.337 57.660 56.287 0.059 0.000 0.935 122 K CB -0.188 32.337 32.500 0.041 0.000 0.715 122 K HN 0.414 nan 8.250 nan 0.000 0.439 123 N N 1.229 119.952 118.700 0.039 0.000 2.223 123 N HA -0.150 4.578 4.740 -0.021 0.000 0.185 123 N C 1.375 176.891 175.510 0.010 0.000 1.016 123 N CA 0.893 53.956 53.050 0.021 0.000 0.863 123 N CB -0.267 38.235 38.487 0.025 0.000 0.983 123 N HN 0.228 nan 8.380 nan 0.000 0.429 124 N N 0.880 119.608 118.700 0.046 0.000 2.392 124 N HA -0.054 4.674 4.740 -0.021 0.000 0.177 124 N C 0.068 175.470 175.510 -0.180 0.000 1.066 124 N CA 0.043 53.125 53.050 0.055 0.000 0.895 124 N CB 0.279 38.932 38.487 0.277 0.000 0.988 124 N HN 0.361 nan 8.380 nan 0.000 0.457 125 Q N 2.498 122.109 119.800 -0.315 0.000 2.289 125 Q HA 0.087 4.415 4.340 -0.021 0.000 0.273 125 Q C -2.226 173.352 176.000 -0.703 0.000 1.029 125 Q CA -1.326 53.926 55.803 -0.918 0.000 0.896 125 Q CB 0.911 29.283 28.738 -0.610 0.000 1.182 125 Q HN 0.163 nan 8.270 nan 0.000 0.385 126 P HA 0.021 nan 4.420 nan 0.000 0.275 126 P C -1.089 176.036 177.300 -0.292 0.000 1.266 126 P CA -0.142 62.689 63.100 -0.449 0.000 0.793 126 P CB 0.552 31.979 31.700 -0.455 0.000 1.074 127 H N 0.107 119.089 119.070 -0.146 0.000 2.668 127 H HA 0.418 4.962 4.556 -0.021 0.000 0.303 127 H C -0.394 174.958 175.328 0.039 0.000 1.074 127 H CA -0.133 55.877 56.048 -0.063 0.000 1.406 127 H CB -0.529 29.209 29.762 -0.041 0.000 1.442 127 H HN 0.159 nan 8.280 nan 0.000 0.482 128 I N 5.559 125.891 120.570 -0.397 0.000 2.330 128 I HA 0.271 4.429 4.170 -0.021 0.000 0.289 128 I C -0.194 175.865 176.117 -0.097 0.000 1.001 128 I CA -0.236 61.043 61.300 -0.035 0.000 1.193 128 I CB 1.041 39.141 38.000 0.167 0.000 1.345 128 I HN 0.604 nan 8.210 nan 0.000 0.461 129 E N 5.203 125.461 120.200 0.098 0.000 2.393 129 E HA 0.484 4.822 4.350 -0.021 0.000 0.273 129 E C -1.337 175.381 176.600 0.197 0.000 0.918 129 E CA -1.024 55.490 56.400 0.190 0.000 0.773 129 E CB 2.520 32.429 29.700 0.349 0.000 1.275 129 E HN 0.480 nan 8.360 nan 0.000 0.451 130 Q N 1.220 121.079 119.800 0.099 0.000 2.293 130 Q HA 0.500 4.827 4.340 -0.021 0.000 0.261 130 Q C -0.835 174.958 176.000 -0.346 0.000 0.960 130 Q CA -0.468 55.246 55.803 -0.149 0.000 0.882 130 Q CB 2.422 31.031 28.738 -0.216 0.000 1.275 130 Q HN 0.435 nan 8.270 nan 0.000 0.445 131 I N 3.359 123.480 120.570 -0.749 0.000 2.385 131 I HA 0.370 4.528 4.170 -0.021 0.000 0.294 131 I C -1.436 174.278 176.117 -0.672 0.000 0.988 131 I CA -0.781 59.817 61.300 -1.170 0.000 1.265 131 I CB 0.710 37.664 38.000 -1.743 0.000 1.388 131 I HN 0.528 nan 8.210 nan 0.000 0.480 132 L N 7.716 128.585 121.223 -0.591 0.000 2.341 132 L HA 0.656 4.983 4.340 -0.021 0.000 0.278 132 L C -0.888 175.883 176.870 -0.164 0.000 1.005 132 L CA -0.682 53.951 54.840 -0.344 0.000 0.818 132 L CB 1.796 43.543 42.059 -0.520 0.000 1.259 132 L HN 0.321 nan 8.230 nan 0.000 0.418 133 V N 1.270 121.168 119.914 -0.026 0.000 2.971 133 V HA 0.729 4.837 4.120 -0.021 0.000 0.309 133 V C -0.246 175.860 176.094 0.019 0.000 1.130 133 V CA -0.347 61.959 62.300 0.010 0.000 0.964 133 V CB 2.798 34.661 31.823 0.066 0.000 1.029 133 V HN 0.928 nan 8.190 nan 0.000 0.427 134 T N -0.437 114.124 114.554 0.011 0.000 2.841 134 T HA 0.505 4.843 4.350 -0.021 0.000 0.296 134 T C -0.978 173.708 174.700 -0.022 0.000 1.166 134 T CA -0.702 61.399 62.100 0.001 0.000 1.007 134 T CB 1.657 70.544 68.868 0.031 0.000 1.253 134 T HN 0.827 nan 8.240 nan 0.000 0.511 135 C N 3.452 122.734 119.300 -0.031 0.000 2.291 135 C HA 0.633 5.081 4.460 -0.021 0.000 0.322 135 C C -1.278 173.697 174.990 -0.025 0.000 1.205 135 C CA -1.843 57.151 59.018 -0.039 0.000 1.495 135 C CB 0.498 28.203 27.740 -0.058 0.000 2.127 135 C HN 0.779 nan 8.230 nan 0.000 0.452 136 P HA -0.078 nan 4.420 nan 0.000 0.226 136 P C 1.198 178.488 177.300 -0.016 0.000 1.153 136 P CA 1.303 64.397 63.100 -0.010 0.000 0.777 136 P CB 0.176 31.874 31.700 -0.004 0.000 0.794 137 E N -0.433 119.752 120.200 -0.025 0.000 2.274 137 E HA -0.010 4.328 4.350 -0.021 0.000 0.194 137 E C 1.179 177.761 176.600 -0.029 0.000 0.996 137 E CA 1.146 57.529 56.400 -0.028 0.000 0.840 137 E CB -0.385 29.293 29.700 -0.036 0.000 0.772 137 E HN 0.317 nan 8.360 nan 0.000 0.491 138 G N 0.927 109.708 108.800 -0.031 0.000 2.145 138 G HA2 -0.222 3.725 3.960 -0.021 0.000 0.176 138 G HA3 -0.222 3.725 3.960 -0.021 0.000 0.176 138 G C 0.266 175.142 174.900 -0.040 0.000 1.013 138 G CA -0.039 45.042 45.100 -0.031 0.000 0.689 138 G HN 0.237 nan 8.290 nan 0.000 0.506 139 C N 0.607 119.878 119.300 -0.049 0.000 2.703 139 C HA 0.689 5.137 4.460 -0.021 0.000 0.411 139 C C 1.145 176.102 174.990 -0.056 0.000 1.290 139 C CA 1.168 60.150 59.018 -0.059 0.000 2.054 139 C CB 0.335 28.030 27.740 -0.076 0.000 2.732 139 C HN 1.566 nan 8.230 nan 0.000 0.650 140 A N 2.034 124.820 122.820 -0.057 0.000 2.602 140 A HA 0.806 5.113 4.320 -0.021 0.000 0.290 140 A C 0.294 177.845 177.584 -0.054 0.000 1.114 140 A CA 0.377 52.383 52.037 -0.052 0.000 0.683 140 A CB 0.250 19.224 19.000 -0.043 0.000 1.281 140 A HN 2.334 nan 8.150 nan 0.000 0.416 141 G N 0.764 109.534 108.800 -0.049 0.000 2.660 141 G HA2 -0.369 3.579 3.960 -0.021 0.000 0.321 141 G HA3 -0.369 3.579 3.960 -0.021 0.000 0.321 141 G C 0.647 175.516 174.900 -0.051 0.000 1.246 141 G CA 1.430 46.502 45.100 -0.045 0.000 1.000 141 G HN 0.899 nan 8.290 nan 0.000 0.550 142 D N 0.468 120.839 120.400 -0.048 0.000 2.104 142 D HA -0.015 4.613 4.640 -0.021 0.000 0.194 142 D C 2.263 178.528 176.300 -0.058 0.000 0.994 142 D CA 1.835 55.806 54.000 -0.047 0.000 0.830 142 D CB -0.333 40.444 40.800 -0.039 0.000 0.959 142 D HN 0.524 nan 8.370 nan 0.000 0.452 143 E N 0.231 120.388 120.200 -0.072 0.000 2.106 143 E HA -0.107 4.230 4.350 -0.021 0.000 0.192 143 E C 1.916 178.451 176.600 -0.109 0.000 0.984 143 E CA 0.345 56.686 56.400 -0.099 0.000 0.806 143 E CB -0.383 29.257 29.700 -0.101 0.000 0.750 143 E HN 0.157 nan 8.360 nan 0.000 0.458 144 L N 0.962 122.127 121.223 -0.097 0.000 2.017 144 L HA -0.136 4.192 4.340 -0.021 0.000 0.208 144 L C 1.504 178.299 176.870 -0.124 0.000 1.073 144 L CA 2.237 57.009 54.840 -0.113 0.000 0.745 144 L CB -0.892 41.109 42.059 -0.097 0.000 0.894 144 L HN 0.061 nan 8.230 nan 0.000 0.432 145 D N -0.843 119.504 120.400 -0.089 0.000 2.178 145 D HA -0.170 4.457 4.640 -0.021 0.000 0.201 145 D C 2.334 178.619 176.300 -0.025 0.000 0.980 145 D CA 0.833 54.792 54.000 -0.068 0.000 0.842 145 D CB -0.080 40.692 40.800 -0.047 0.000 0.948 145 D HN 0.278 nan 8.370 nan 0.000 0.472 146 R N 0.272 120.756 120.500 -0.027 0.000 2.073 146 R HA -0.037 4.291 4.340 -0.021 0.000 0.234 146 R C 2.167 178.458 176.300 -0.016 0.000 1.134 146 R CA 1.096 57.211 56.100 0.025 0.000 0.952 146 R CB 0.096 30.336 30.300 -0.100 0.000 0.850 146 R HN 0.139 nan 8.270 nan 0.000 0.433 147 R N -0.088 120.337 120.500 -0.125 0.000 2.092 147 R HA -0.093 4.235 4.340 -0.021 0.000 0.231 147 R C 2.128 178.311 176.300 -0.195 0.000 1.119 147 R CA 0.816 56.815 56.100 -0.168 0.000 0.970 147 R CB -0.211 29.978 30.300 -0.185 0.000 0.864 147 R HN 0.143 nan 8.270 nan 0.000 0.440 148 L N -0.207 120.869 121.223 -0.245 0.000 2.141 148 L HA -0.162 4.166 4.340 -0.021 0.000 0.209 148 L C 2.149 178.932 176.870 -0.144 0.000 1.094 148 L CA 1.466 56.056 54.840 -0.417 0.000 0.763 148 L CB -1.162 40.571 42.059 -0.544 0.000 0.908 148 L HN 0.164 nan 8.230 nan 0.000 0.437 149 Y N 0.385 120.614 120.300 -0.118 0.000 2.145 149 Y HA -0.208 4.329 4.550 -0.021 0.000 0.286 149 Y C 2.444 178.359 175.900 0.025 0.000 1.145 149 Y CA 1.353 59.444 58.100 -0.015 0.000 1.148 149 Y CB -0.373 38.116 38.460 0.048 0.000 0.981 149 Y HN 0.133 nan 8.280 nan 0.000 0.507 150 I N 0.344 120.816 120.570 -0.162 0.000 2.226 150 I HA -0.321 3.836 4.170 -0.021 0.000 0.245 150 I C 2.704 178.736 176.117 -0.142 0.000 1.100 150 I CA 1.228 62.406 61.300 -0.202 0.000 1.374 150 I CB -0.841 37.098 38.000 -0.103 0.000 1.057 150 I HN 0.335 nan 8.210 nan 0.000 0.413 151 A N 0.941 123.688 122.820 -0.121 0.000 1.877 151 A HA -0.214 4.094 4.320 -0.021 0.000 0.216 151 A C 2.425 180.008 177.584 -0.002 0.000 1.186 151 A CA 1.549 53.542 52.037 -0.073 0.000 0.620 151 A CB -0.607 18.315 19.000 -0.130 0.000 0.822 151 A HN 0.295 nan 8.150 nan 0.000 0.443 152 R N -0.181 120.330 120.500 0.020 0.000 2.105 152 R HA -0.099 4.229 4.340 -0.021 0.000 0.239 152 R C 2.522 178.819 176.300 -0.005 0.000 1.135 152 R CA 1.622 57.749 56.100 0.044 0.000 0.967 152 R CB -0.362 29.982 30.300 0.074 0.000 0.861 152 R HN 0.559 nan 8.270 nan 0.000 0.442 153 S N 0.882 116.534 115.700 -0.080 0.000 2.368 153 S HA -0.088 4.370 4.470 -0.021 0.000 0.224 153 S C 1.981 176.586 174.600 0.009 0.000 1.029 153 S CA 1.049 59.206 58.200 -0.071 0.000 0.988 153 S CB -0.154 62.922 63.200 -0.206 0.000 0.838 153 S HN 0.224 nan 8.310 nan 0.000 0.462 154 I N 1.232 121.809 120.570 0.011 0.000 2.202 154 I HA -0.150 4.007 4.170 -0.021 0.000 0.242 154 I C 2.047 178.270 176.117 0.176 0.000 1.091 154 I CA 1.157 62.504 61.300 0.078 0.000 1.368 154 I CB -0.408 37.617 38.000 0.041 0.000 1.058 154 I HN 0.214 nan 8.210 nan 0.000 0.410 155 I N 0.906 121.559 120.570 0.138 0.000 2.286 155 I HA -0.218 3.939 4.170 -0.021 0.000 0.248 155 I C 2.542 178.747 176.117 0.147 0.000 1.115 155 I CA 1.598 63.029 61.300 0.218 0.000 1.392 155 I CB -0.775 37.260 38.000 0.058 0.000 1.065 155 I HN 0.263 nan 8.210 nan 0.000 0.418 156 G N 0.711 109.561 108.800 0.083 0.000 2.535 156 G HA2 -0.180 3.767 3.960 -0.021 0.000 0.218 156 G HA3 -0.180 3.767 3.960 -0.021 0.000 0.218 156 G C 1.573 176.566 174.900 0.155 0.000 1.122 156 G CA 0.293 45.460 45.100 0.112 0.000 0.769 156 G HN 0.217 nan 8.290 nan 0.000 0.549 157 K N 0.574 121.075 120.400 0.167 0.000 2.362 157 K HA 0.002 4.309 4.320 -0.021 0.000 0.200 157 K C 1.425 178.118 176.600 0.155 0.000 1.046 157 K CA 0.629 57.007 56.287 0.152 0.000 0.952 157 K CB 0.078 32.668 32.500 0.151 0.000 0.753 157 K HN 0.307 nan 8.250 nan 0.000 0.466 158 K N 1.083 121.612 120.400 0.215 0.000 2.514 158 K HA 0.114 4.422 4.320 -0.021 0.000 0.207 158 K C 0.046 176.840 176.600 0.323 0.000 1.035 158 K CA -0.451 55.993 56.287 0.262 0.000 1.113 158 K CB 0.102 32.822 32.500 0.367 0.000 0.846 158 K HN -0.052 nan 8.250 nan 0.000 0.491 159 L N 1.991 123.341 121.223 0.211 0.000 2.601 159 L HA 0.021 4.348 4.340 -0.021 0.000 0.277 159 L C -0.344 176.645 176.870 0.198 0.000 1.219 159 L CA 0.625 55.584 54.840 0.199 0.000 0.915 159 L CB 0.136 42.295 42.059 0.166 0.000 1.160 159 L HN 0.249 nan 8.230 nan 0.000 0.494 160 A N 3.701 126.667 122.820 0.243 0.000 2.594 160 A HA 0.488 4.796 4.320 -0.021 0.000 0.291 160 A C 0.541 178.243 177.584 0.198 0.000 1.105 160 A CA -0.039 52.115 52.037 0.196 0.000 0.694 160 A CB 0.796 19.925 19.000 0.214 0.000 1.291 160 A HN 0.868 nan 8.150 nan 0.000 0.410 161 E N -0.260 120.025 120.200 0.142 0.000 2.331 161 E HA -0.221 4.116 4.350 -0.021 0.000 0.199 161 E C 0.020 176.738 176.600 0.198 0.000 1.008 161 E CA 1.897 58.386 56.400 0.147 0.000 0.843 161 E CB 0.024 29.788 29.700 0.108 0.000 0.761 161 E HN 0.497 nan 8.360 nan 0.000 0.507 162 D N -0.991 119.539 120.400 0.217 0.000 2.449 162 D HA 0.126 4.754 4.640 -0.021 0.000 0.210 162 D C -1.192 175.336 176.300 0.380 0.000 1.094 162 D CA 0.053 54.185 54.000 0.220 0.000 0.846 162 D CB 0.485 41.373 40.800 0.147 0.000 1.003 162 D HN 0.140 nan 8.370 nan 0.000 0.504 163 F N 1.740 121.831 119.950 0.236 0.000 3.034 163 F HA 0.369 4.883 4.527 -0.021 0.000 0.371 163 F C -2.082 173.925 175.800 0.344 0.000 1.233 163 F CA -1.080 57.068 58.000 0.247 0.000 1.134 163 F CB 0.512 39.613 39.000 0.169 0.000 1.495 163 F HN -0.238 nan 8.300 nan 0.000 0.563 164 Y N 4.802 125.091 120.300 -0.018 0.000 2.480 164 Y HA 0.619 5.156 4.550 -0.021 0.000 0.329 164 Y C -2.073 173.727 175.900 -0.165 0.000 1.127 164 Y CA -1.231 56.818 58.100 -0.084 0.000 1.037 164 Y CB 1.711 40.247 38.460 0.126 0.000 1.320 164 Y HN 0.177 nan 8.280 nan 0.000 0.446 165 V N 6.409 125.779 119.914 -0.907 0.000 2.348 165 V HA 0.117 4.225 4.120 -0.021 0.000 0.270 165 V C 0.623 176.017 176.094 -1.167 0.000 1.037 165 V CA -0.261 61.559 62.300 -0.799 0.000 0.872 165 V CB 0.417 31.962 31.823 -0.463 0.000 1.002 165 V HN 1.149 nan 8.190 nan 0.000 0.464 166 C N 2.807 121.567 119.300 -0.900 0.000 2.440 166 C HA 0.081 4.529 4.460 -0.021 0.000 0.278 166 C C 1.288 176.088 174.990 -0.318 0.000 1.295 166 C CA 0.736 59.404 59.018 -0.584 0.000 1.738 166 C CB -0.913 26.562 27.740 -0.442 0.000 1.987 166 C HN 0.970 nan 8.230 nan 0.000 0.492 167 S N -1.622 113.911 115.700 -0.280 0.000 2.558 167 S HA 0.620 5.077 4.470 -0.021 0.000 0.277 167 S C -1.420 173.152 174.600 -0.046 0.000 1.143 167 S CA -0.427 57.705 58.200 -0.113 0.000 0.865 167 S CB 1.421 64.584 63.200 -0.062 0.000 1.102 167 S HN 0.083 nan 8.310 nan 0.000 0.454 168 F N 1.818 121.698 119.950 -0.116 0.000 2.915 168 F HA 0.777 5.292 4.527 -0.021 0.000 0.350 168 F C -0.542 175.219 175.800 -0.065 0.000 1.248 168 F CA -0.316 57.619 58.000 -0.108 0.000 1.084 168 F CB 1.471 40.404 39.000 -0.112 0.000 1.391 168 F HN 1.058 nan 8.300 nan 0.000 0.548 169 S N 2.897 118.738 115.700 0.234 0.000 2.552 169 S HA 0.373 4.830 4.470 -0.021 0.000 0.272 169 S C 0.107 174.740 174.600 0.055 0.000 1.150 169 S CA -0.152 58.092 58.200 0.073 0.000 0.849 169 S CB 0.786 64.025 63.200 0.065 0.000 1.113 169 S HN 0.875 nan 8.310 nan 0.000 0.458 170 C N 3.160 122.464 119.300 0.007 0.000 2.673 170 C HA 0.580 5.028 4.460 -0.021 0.000 0.274 170 C C 1.353 176.351 174.990 0.014 0.000 1.276 170 C CA -0.353 58.667 59.018 0.002 0.000 1.701 170 C CB -1.709 26.016 27.740 -0.025 0.000 1.836 170 C HN 0.803 nan 8.230 nan 0.000 0.596 171 R N -0.357 120.164 120.500 0.034 0.000 2.573 171 R HA 0.224 4.552 4.340 -0.021 0.000 0.224 171 R C 0.509 176.887 176.300 0.130 0.000 0.904 171 R CA 0.533 56.669 56.100 0.061 0.000 0.995 171 R CB 0.483 30.804 30.300 0.035 0.000 1.430 171 R HN 0.432 nan 8.270 nan 0.000 0.631 172 T N 0.112 114.740 114.554 0.123 0.000 2.896 172 T HA 0.674 5.012 4.350 -0.021 0.000 0.297 172 T C -1.650 173.114 174.700 0.108 0.000 1.108 172 T CA -0.547 61.658 62.100 0.175 0.000 1.004 172 T CB 1.760 70.760 68.868 0.220 0.000 1.159 172 T HN 0.083 nan 8.240 nan 0.000 0.499 173 I N 2.826 123.461 120.570 0.109 0.000 2.752 173 I HA 0.674 4.832 4.170 -0.021 0.000 0.295 173 I C -1.616 174.562 176.117 0.102 0.000 1.219 173 I CA -0.819 60.525 61.300 0.074 0.000 1.030 173 I CB 2.056 40.110 38.000 0.090 0.000 1.259 173 I HN 0.461 nan 8.210 nan 0.000 0.423 174 V N 7.254 127.180 119.914 0.020 0.000 2.384 174 V HA 0.376 4.484 4.120 -0.021 0.000 0.287 174 V C -1.211 174.856 176.094 -0.045 0.000 1.020 174 V CA -0.423 61.907 62.300 0.049 0.000 0.850 174 V CB 1.356 33.201 31.823 0.037 0.000 0.987 174 V HN 0.489 nan 8.190 nan 0.000 0.436 175 Y N 5.390 125.657 120.300 -0.055 0.000 2.417 175 Y HA 0.580 5.118 4.550 -0.021 0.000 0.336 175 Y C 0.431 176.374 175.900 0.071 0.000 0.961 175 Y CA -0.500 57.475 58.100 -0.209 0.000 1.215 175 Y CB 1.197 39.410 38.460 -0.412 0.000 1.120 175 Y HN 0.646 nan 8.280 nan 0.000 0.499 176 K N 1.795 122.459 120.400 0.441 0.000 2.509 176 K HA 0.981 5.289 4.320 -0.021 0.000 0.266 176 K C -0.911 176.121 176.600 0.721 0.000 0.987 176 K CA -1.164 55.436 56.287 0.522 0.000 0.868 176 K CB 2.596 35.302 32.500 0.343 0.000 1.421 176 K HN 0.656 nan 8.250 nan 0.000 0.444 177 G N 0.491 109.472 108.800 0.302 0.000 2.441 177 G HA2 0.329 4.277 3.960 -0.021 0.000 0.294 177 G HA3 0.329 4.277 3.960 -0.021 0.000 0.294 177 G C -1.151 173.345 174.900 -0.673 0.000 1.393 177 G CA -0.998 43.930 45.100 -0.288 0.000 0.796 177 G HN 0.342 nan 8.290 nan 0.000 0.494 178 M N 1.844 120.570 119.600 -1.457 0.000 3.586 178 M HA 0.370 4.837 4.480 -0.021 0.000 0.225 178 M C 0.271 176.225 176.300 -0.577 0.000 1.428 178 M CA -0.754 53.987 55.300 -0.931 0.000 1.613 178 M CB -1.113 30.827 32.600 -1.101 0.000 1.063 178 M HN 0.798 nan 8.290 nan 0.000 0.593 179 V N -0.555 119.138 119.914 -0.368 0.000 3.078 179 V HA 0.679 4.787 4.120 -0.021 0.000 0.311 179 V C 0.068 176.088 176.094 -0.122 0.000 1.138 179 V CA -1.374 60.793 62.300 -0.222 0.000 1.007 179 V CB 2.226 33.942 31.823 -0.178 0.000 1.045 179 V HN 0.557 nan 8.190 nan 0.000 0.432 180 R N 1.348 121.797 120.500 -0.085 0.000 2.738 180 R HA 0.355 4.683 4.340 -0.021 0.000 0.268 180 R C 1.478 177.766 176.300 -0.019 0.000 1.062 180 R CA 0.308 56.377 56.100 -0.052 0.000 1.158 180 R CB 0.572 30.848 30.300 -0.041 0.000 1.046 180 R HN 0.903 nan 8.270 nan 0.000 0.493 181 S N 1.632 117.326 115.700 -0.009 0.000 2.359 181 S HA -0.161 4.297 4.470 -0.021 0.000 0.223 181 S C 1.860 176.468 174.600 0.014 0.000 1.039 181 S CA 1.633 59.837 58.200 0.006 0.000 1.042 181 S CB -0.208 62.988 63.200 -0.007 0.000 0.915 181 S HN 0.697 nan 8.310 nan 0.000 0.439 182 I N -0.137 120.439 120.570 0.009 0.000 3.176 182 I HA 0.032 4.189 4.170 -0.021 0.000 0.275 182 I C 1.174 177.312 176.117 0.035 0.000 1.298 182 I CA 1.156 62.467 61.300 0.017 0.000 1.445 182 I CB -1.127 36.881 38.000 0.014 0.000 1.075 182 I HN 0.179 nan 8.210 nan 0.000 0.482 183 I N 0.394 120.986 120.570 0.038 0.000 3.030 183 I HA -0.054 4.104 4.170 -0.021 0.000 0.270 183 I C 2.275 178.460 176.117 0.114 0.000 1.211 183 I CA 0.436 61.772 61.300 0.058 0.000 1.479 183 I CB -0.755 37.257 38.000 0.020 0.000 1.105 183 I HN 0.265 nan 8.210 nan 0.000 0.447 184 L N 1.841 123.137 121.223 0.121 0.000 1.990 184 L HA -0.112 4.215 4.340 -0.021 0.000 0.213 184 L C 2.295 179.338 176.870 0.289 0.000 1.072 184 L CA 2.328 57.304 54.840 0.227 0.000 0.755 184 L CB -1.081 41.105 42.059 0.211 0.000 0.889 184 L HN 0.222 nan 8.230 nan 0.000 0.432 185 G N -1.875 107.027 108.800 0.170 0.000 2.650 185 G HA2 -0.120 3.828 3.960 -0.021 0.000 0.214 185 G HA3 -0.120 3.828 3.960 -0.021 0.000 0.214 185 G C 1.303 176.279 174.900 0.128 0.000 1.136 185 G CA 0.297 45.475 45.100 0.131 0.000 0.789 185 G HN 0.408 nan 8.290 nan 0.000 0.536 186 E N 0.014 120.294 120.200 0.134 0.000 2.230 186 E HA 0.016 4.354 4.350 -0.021 0.000 0.192 186 E C 1.799 178.490 176.600 0.152 0.000 0.987 186 E CA 0.082 56.553 56.400 0.119 0.000 0.841 186 E CB -0.209 29.551 29.700 0.101 0.000 0.783 186 E HN 0.503 nan 8.360 nan 0.000 0.481 187 F N 0.460 120.425 119.950 0.026 0.000 2.179 187 F HA -0.024 4.490 4.527 -0.021 0.000 0.292 187 F C 0.572 176.343 175.800 -0.047 0.000 1.089 187 F CA 0.625 58.597 58.000 -0.046 0.000 1.295 187 F CB -0.017 38.909 39.000 -0.123 0.000 1.041 187 F HN -0.173 nan 8.300 nan 0.000 0.487 188 Y N 2.029 122.375 120.300 0.076 0.000 2.595 188 Y HA 0.203 4.740 4.550 -0.021 0.000 0.347 188 Y C 1.189 177.083 175.900 -0.010 0.000 1.025 188 Y CA -0.601 57.498 58.100 -0.001 0.000 1.295 188 Y CB 0.448 39.046 38.460 0.229 0.000 1.147 188 Y HN 0.024 nan 8.280 nan 0.000 0.515 189 L N 1.294 122.577 121.223 0.100 0.000 2.187 189 L HA -0.233 4.095 4.340 -0.021 0.000 0.213 189 L C 1.373 178.298 176.870 0.092 0.000 1.100 189 L CA 0.951 55.836 54.840 0.075 0.000 0.765 189 L CB -0.191 41.895 42.059 0.045 0.000 0.904 189 L HN 0.633 nan 8.230 nan 0.000 0.437 190 D N 0.316 120.797 120.400 0.134 0.000 2.123 190 D HA -0.163 4.465 4.640 -0.021 0.000 0.196 190 D C 2.172 178.480 176.300 0.012 0.000 0.992 190 D CA 1.074 55.155 54.000 0.136 0.000 0.833 190 D CB -0.062 40.863 40.800 0.209 0.000 0.954 190 D HN 0.146 nan 8.370 nan 0.000 0.455 191 L N 0.697 121.804 121.223 -0.192 0.000 2.265 191 L HA -0.085 4.243 4.340 -0.021 0.000 0.215 191 L C 1.934 178.779 176.870 -0.041 0.000 1.117 191 L CA 1.408 56.041 54.840 -0.345 0.000 0.782 191 L CB -0.414 41.476 42.059 -0.282 0.000 0.914 191 L HN -0.034 nan 8.230 nan 0.000 0.441 192 K N -0.920 119.506 120.400 0.043 0.000 2.374 192 K HA 0.080 4.388 4.320 -0.021 0.000 0.196 192 K C 0.561 177.181 176.600 0.032 0.000 1.023 192 K CA -0.212 56.135 56.287 0.101 0.000 1.103 192 K CB 0.115 32.656 32.500 0.067 0.000 0.848 192 K HN 0.185 nan 8.250 nan 0.000 0.528 193 N N 3.043 121.745 118.700 0.003 0.000 2.452 193 N HA 0.010 4.737 4.740 -0.021 0.000 0.266 193 N C -1.784 173.521 175.510 -0.342 0.000 1.175 193 N CA -1.403 51.603 53.050 -0.073 0.000 0.945 193 N CB 1.339 39.846 38.487 0.033 0.000 1.063 193 N HN -0.082 nan 8.380 nan 0.000 0.472 194 P HA -0.054 nan 4.420 nan 0.000 0.225 194 P C 1.016 178.124 177.300 -0.321 0.000 1.148 194 P CA 0.774 63.493 63.100 -0.635 0.000 0.779 194 P CB 0.070 31.617 31.700 -0.256 0.000 0.780 195 G N -1.610 107.106 108.800 -0.139 0.000 2.534 195 G HA2 -0.194 3.754 3.960 -0.021 0.000 0.217 195 G HA3 -0.194 3.754 3.960 -0.021 0.000 0.217 195 G C 0.253 175.174 174.900 0.034 0.000 1.128 195 G CA -0.188 44.895 45.100 -0.029 0.000 0.784 195 G HN 0.302 nan 8.290 nan 0.000 0.542 196 Y N 3.136 123.410 120.300 -0.044 0.000 2.584 196 Y HA 0.359 4.897 4.550 -0.021 0.000 0.351 196 Y C 0.680 176.666 175.900 0.144 0.000 1.030 196 Y CA -0.343 57.785 58.100 0.047 0.000 1.332 196 Y CB 0.362 38.846 38.460 0.041 0.000 1.148 196 Y HN 0.080 nan 8.280 nan 0.000 0.528 197 T N 1.288 115.982 114.554 0.233 0.000 2.930 197 T HA 0.720 5.058 4.350 -0.021 0.000 0.290 197 T C -0.666 174.124 174.700 0.150 0.000 1.052 197 T CA -0.979 61.248 62.100 0.212 0.000 1.017 197 T CB 1.884 70.823 68.868 0.119 0.000 1.137 197 T HN 0.455 nan 8.240 nan 0.000 0.511 198 S N 0.224 115.994 115.700 0.117 0.000 2.560 198 S HA 0.288 4.745 4.470 -0.021 0.000 0.283 198 S C 0.173 174.810 174.600 0.063 0.000 1.141 198 S CA -0.553 57.681 58.200 0.056 0.000 0.902 198 S CB 1.019 64.216 63.200 -0.006 0.000 1.104 198 S HN 0.958 nan 8.310 nan 0.000 0.454 199 N N 2.514 121.273 118.700 0.099 0.000 2.494 199 N HA 0.139 4.866 4.740 -0.021 0.000 0.182 199 N C 0.158 175.783 175.510 0.190 0.000 1.076 199 N CA 0.662 53.790 53.050 0.130 0.000 0.908 199 N CB -0.493 38.071 38.487 0.129 0.000 0.967 199 N HN 0.582 nan 8.380 nan 0.000 0.449 200 F N -2.362 117.599 119.950 0.018 0.000 2.662 200 F HA 0.853 5.367 4.527 -0.021 0.000 0.312 200 F C -1.771 174.070 175.800 0.068 0.000 1.113 200 F CA -1.492 56.520 58.000 0.019 0.000 0.951 200 F CB 1.126 40.111 39.000 -0.024 0.000 1.344 200 F HN 0.051 nan 8.300 nan 0.000 0.462 201 A N 1.848 124.700 122.820 0.055 0.000 2.488 201 A HA 0.731 5.039 4.320 -0.021 0.000 0.298 201 A C -2.141 175.615 177.584 0.287 0.000 1.044 201 A CA -0.795 51.223 52.037 -0.032 0.000 0.693 201 A CB 1.627 20.641 19.000 0.023 0.000 1.272 201 A HN 0.921 nan 8.150 nan 0.000 0.402 202 V N 3.101 123.166 119.914 0.251 0.000 2.417 202 V HA 0.622 4.729 4.120 -0.021 0.000 0.291 202 V C -0.858 175.361 176.094 0.207 0.000 1.024 202 V CA -0.340 62.096 62.300 0.225 0.000 0.861 202 V CB 0.963 32.913 31.823 0.212 0.000 0.985 202 V HN 0.910 nan 8.190 nan 0.000 0.436 203 Y N 2.322 122.713 120.300 0.151 0.000 2.536 203 Y HA 0.832 5.370 4.550 -0.021 0.000 0.347 203 Y C -0.664 175.341 175.900 0.175 0.000 1.000 203 Y CA -1.116 57.064 58.100 0.132 0.000 1.051 203 Y CB 1.675 40.179 38.460 0.073 0.000 1.259 203 Y HN 0.686 nan 8.280 nan 0.000 0.468 204 H N 2.644 121.853 119.070 0.231 0.000 3.042 204 H HA 0.480 5.024 4.556 -0.021 0.000 0.345 204 H C -1.820 173.595 175.328 0.145 0.000 1.052 204 H CA -0.740 55.391 56.048 0.138 0.000 1.311 204 H CB 2.031 31.850 29.762 0.096 0.000 1.810 204 H HN 0.899 nan 8.280 nan 0.000 0.505 205 R N 3.566 124.026 120.500 -0.067 0.000 2.437 205 R HA 0.373 4.701 4.340 -0.021 0.000 0.310 205 R C -1.027 175.220 176.300 -0.088 0.000 0.955 205 R CA -0.712 55.392 56.100 0.008 0.000 0.851 205 R CB 0.838 31.128 30.300 -0.017 0.000 1.161 205 R HN 0.677 nan 8.270 nan 0.000 0.446 206 R N 4.147 124.726 120.500 0.132 0.000 2.428 206 R HA 0.384 4.711 4.340 -0.021 0.000 0.294 206 R C -1.293 175.093 176.300 0.142 0.000 1.000 206 R CA -0.448 55.785 56.100 0.221 0.000 0.960 206 R CB 0.815 31.283 30.300 0.280 0.000 1.076 206 R HN 0.642 nan 8.270 nan 0.000 0.475 207 F N 3.880 123.848 119.950 0.030 0.000 2.403 207 F HA 0.307 4.822 4.527 -0.020 0.000 0.355 207 F C -0.383 175.432 175.800 0.023 0.000 1.119 207 F CA -0.541 57.466 58.000 0.010 0.000 1.007 207 F CB 1.378 40.375 39.000 -0.004 0.000 1.194 207 F HN 0.672 nan 8.300 nan 0.000 0.443 208 S N 1.944 117.807 115.700 0.273 0.000 2.690 208 S HA 0.383 4.840 4.470 -0.021 0.000 0.291 208 S C 0.389 175.143 174.600 0.256 0.000 1.138 208 S CA -0.094 58.234 58.200 0.214 0.000 1.013 208 S CB 1.570 64.823 63.200 0.088 0.000 1.053 208 S HN 0.674 nan 8.310 nan 0.000 0.539 209 T N -0.995 113.661 114.554 0.169 0.000 3.251 209 T HA 0.342 4.680 4.350 -0.021 0.000 0.259 209 T C -0.053 174.695 174.700 0.080 0.000 0.998 209 T CA -0.486 61.700 62.100 0.143 0.000 0.905 209 T CB -1.538 67.388 68.868 0.097 0.000 1.067 209 T HN 0.857 nan 8.240 nan 0.000 0.569 210 N N -1.458 117.276 118.700 0.057 0.000 3.157 210 N HA 0.442 5.170 4.740 -0.021 0.000 0.291 210 N C -0.248 175.262 175.510 -0.000 0.000 1.515 210 N CA -0.938 52.126 53.050 0.023 0.000 0.807 210 N CB 1.105 39.600 38.487 0.014 0.000 1.672 210 N HN -0.158 nan 8.380 nan 0.000 0.592 211 T N -0.641 113.906 114.554 -0.012 0.000 3.170 211 T HA 0.345 4.683 4.350 -0.021 0.000 0.288 211 T C -0.654 174.031 174.700 -0.026 0.000 0.992 211 T CA -0.079 62.005 62.100 -0.026 0.000 0.909 211 T CB -0.243 68.612 68.868 -0.021 0.000 1.133 211 T HN 0.460 nan 8.240 nan 0.000 0.530 212 M N 3.680 123.269 119.600 -0.019 0.000 2.065 212 M HA 0.349 4.816 4.480 -0.021 0.000 0.308 212 M C -2.791 173.502 176.300 -0.012 0.000 0.939 212 M CA -1.862 53.431 55.300 -0.011 0.000 0.890 212 M CB 1.207 33.806 32.600 -0.002 0.000 1.383 212 M HN -0.162 nan 8.290 nan 0.000 0.381 213 P HA 0.150 nan 4.420 nan 0.000 0.271 213 P C -0.980 176.315 177.300 -0.008 0.000 1.220 213 P CA 0.075 63.138 63.100 -0.063 0.000 0.768 213 P CB 0.877 32.495 31.700 -0.137 0.000 0.848 214 K N 2.766 123.166 120.400 -0.001 0.000 2.358 214 K HA 0.121 4.429 4.320 -0.021 0.000 0.260 214 K C 0.551 177.213 176.600 0.104 0.000 0.956 214 K CA -0.501 55.839 56.287 0.088 0.000 0.834 214 K CB 1.214 33.749 32.500 0.057 0.000 1.102 214 K HN 0.416 nan 8.250 nan 0.000 0.431 215 W N 2.916 124.218 121.300 0.004 0.000 2.321 215 W HA -0.115 4.533 4.660 -0.021 0.000 0.306 215 W C -0.728 175.943 176.519 0.253 0.000 1.217 215 W CA 1.361 58.752 57.345 0.078 0.000 1.257 215 W CB -1.470 27.905 29.460 -0.141 0.000 1.145 215 W HN 0.613 nan 8.180 nan 0.000 0.509 216 P HA -0.147 nan 4.420 nan 0.000 0.221 216 P C 1.383 178.569 177.300 -0.190 0.000 1.145 216 P CA 1.459 64.400 63.100 -0.266 0.000 0.795 216 P CB -0.229 31.055 31.700 -0.692 0.000 0.775 217 L N -2.179 119.028 121.223 -0.026 0.000 2.554 217 L HA 0.131 4.459 4.340 -0.021 0.000 0.226 217 L C 1.281 178.172 176.870 0.034 0.000 1.137 217 L CA -0.420 54.425 54.840 0.009 0.000 0.863 217 L CB -0.737 41.325 42.059 0.005 0.000 0.985 217 L HN -0.079 nan 8.230 nan 0.000 0.451 218 A N 0.371 123.221 122.820 0.051 0.000 2.429 218 A HA 0.239 4.546 4.320 -0.021 0.000 0.242 218 A C 0.134 177.741 177.584 0.039 0.000 1.088 218 A CA 0.299 52.368 52.037 0.054 0.000 0.784 218 A CB 0.307 19.356 19.000 0.082 0.000 1.038 218 A HN 0.341 nan 8.150 nan 0.000 0.501 219 Q N 0.022 119.794 119.800 -0.047 0.000 2.445 219 Q HA 0.462 4.789 4.340 -0.021 0.000 0.281 219 Q C -2.596 173.411 176.000 0.013 0.000 1.101 219 Q CA -2.032 53.675 55.803 -0.159 0.000 0.833 219 Q CB 1.333 29.644 28.738 -0.711 0.000 1.416 219 Q HN 0.474 nan 8.270 nan 0.000 0.451 220 P HA -0.010 nan 4.420 nan 0.000 0.271 220 P C -0.407 176.921 177.300 0.046 0.000 1.233 220 P CA 0.245 63.361 63.100 0.027 0.000 0.789 220 P CB 0.563 32.324 31.700 0.101 0.000 0.951 221 M N 0.852 120.474 119.600 0.038 0.000 2.277 221 M HA 0.273 4.741 4.480 -0.021 0.000 0.210 221 M C 1.601 177.923 176.300 0.038 0.000 0.951 221 M CA -0.016 55.316 55.300 0.053 0.000 1.743 221 M CB -0.585 32.021 32.600 0.009 0.000 1.103 221 M HN 0.111 nan 8.290 nan 0.000 0.856 222 R N -0.189 120.313 120.500 0.003 0.000 2.119 222 R HA 0.029 4.357 4.340 -0.021 0.000 0.222 222 R C 1.595 177.901 176.300 0.009 0.000 1.088 222 R CA 1.036 57.135 56.100 -0.002 0.000 0.984 222 R CB -0.384 29.904 30.300 -0.021 0.000 0.884 222 R HN 0.435 nan 8.270 nan 0.000 0.447 223 L N -1.871 119.351 121.223 -0.002 0.000 2.730 223 L HA 0.434 4.761 4.340 -0.021 0.000 0.236 223 L C -0.554 176.360 176.870 0.073 0.000 1.061 223 L CA 0.509 55.353 54.840 0.007 0.000 0.898 223 L CB 0.450 42.468 42.059 -0.069 0.000 1.270 223 L HN 0.030 nan 8.230 nan 0.000 0.500 224 L N 0.345 121.605 121.223 0.062 0.000 2.386 224 L HA 0.867 5.195 4.340 -0.021 0.000 0.271 224 L C -0.302 176.631 176.870 0.105 0.000 0.993 224 L CA -0.286 54.623 54.840 0.115 0.000 0.819 224 L CB 1.773 43.873 42.059 0.069 0.000 1.294 224 L HN 0.060 nan 8.230 nan 0.000 0.414 225 G N 2.216 111.103 108.800 0.145 0.000 2.343 225 G HA2 0.362 4.309 3.960 -0.021 0.000 0.319 225 G HA3 0.362 4.309 3.960 -0.021 0.000 0.319 225 G C -1.593 173.478 174.900 0.284 0.000 1.126 225 G CA -0.250 44.952 45.100 0.170 0.000 0.889 225 G HN 0.857 nan 8.290 nan 0.000 0.457 226 H N 2.277 121.456 119.070 0.182 0.000 2.589 226 H HA 0.321 4.865 4.556 -0.021 0.000 0.335 226 H C -1.155 174.341 175.328 0.282 0.000 1.019 226 H CA -0.638 55.525 56.048 0.192 0.000 1.213 226 H CB 1.416 31.260 29.762 0.136 0.000 1.472 226 H HN 0.560 nan 8.280 nan 0.000 0.508 227 N N 4.297 122.987 118.700 -0.016 0.000 2.446 227 N HA 0.462 5.189 4.740 -0.021 0.000 0.265 227 N C -0.581 174.757 175.510 -0.286 0.000 0.975 227 N CA 0.108 53.068 53.050 -0.150 0.000 0.928 227 N CB 1.363 39.819 38.487 -0.052 0.000 1.160 227 N HN 0.961 nan 8.380 nan 0.000 0.495 228 G N 1.934 110.486 108.800 -0.414 0.000 2.339 228 G HA2 0.043 3.991 3.960 -0.021 0.000 0.275 228 G HA3 0.043 3.991 3.960 -0.021 0.000 0.275 228 G C -2.036 172.807 174.900 -0.096 0.000 1.323 228 G CA -0.611 44.384 45.100 -0.176 0.000 0.927 228 G HN 0.450 nan 8.290 nan 0.000 0.486 229 E N -0.052 120.222 120.200 0.124 0.000 2.311 229 E HA 0.359 4.696 4.350 -0.021 0.000 0.281 229 E C -0.840 175.881 176.600 0.203 0.000 0.905 229 E CA -0.651 55.847 56.400 0.163 0.000 0.778 229 E CB 1.911 31.660 29.700 0.082 0.000 1.240 229 E HN 0.445 nan 8.360 nan 0.000 0.410 230 I N 3.806 124.510 120.570 0.222 0.000 2.337 230 I HA 0.057 4.214 4.170 -0.021 0.000 0.291 230 I C 1.224 177.394 176.117 0.087 0.000 1.046 230 I CA -0.175 61.228 61.300 0.171 0.000 1.324 230 I CB 0.230 38.343 38.000 0.189 0.000 1.409 230 I HN 0.407 nan 8.210 nan 0.000 0.494 231 N N 3.145 121.887 118.700 0.071 0.000 2.280 231 N HA -0.061 4.667 4.740 -0.021 0.000 0.192 231 N C 0.710 176.222 175.510 0.004 0.000 1.109 231 N CA 0.016 53.088 53.050 0.037 0.000 0.855 231 N CB -0.006 38.511 38.487 0.051 0.000 0.974 231 N HN 0.595 nan 8.380 nan 0.000 0.482 232 T N -3.156 111.386 114.554 -0.019 0.000 3.252 232 T HA 0.243 4.581 4.350 -0.021 0.000 0.286 232 T C 1.129 175.729 174.700 -0.167 0.000 1.013 232 T CA -0.512 61.547 62.100 -0.068 0.000 0.914 232 T CB -0.230 68.621 68.868 -0.028 0.000 1.131 232 T HN -0.010 nan 8.240 nan 0.000 0.529 233 L N 1.541 122.670 121.223 -0.156 0.000 2.013 233 L HA 0.017 4.344 4.340 -0.021 0.000 0.212 233 L C 2.177 178.900 176.870 -0.246 0.000 1.073 233 L CA 1.543 56.244 54.840 -0.232 0.000 0.753 233 L CB -0.677 41.317 42.059 -0.108 0.000 0.890 233 L HN 0.377 nan 8.230 nan 0.000 0.432 234 L N -0.563 120.559 121.223 -0.167 0.000 2.042 234 L HA -0.110 4.218 4.340 -0.021 0.000 0.210 234 L C 2.292 179.034 176.870 -0.213 0.000 1.076 234 L CA 2.346 57.094 54.840 -0.154 0.000 0.749 234 L CB -1.965 40.029 42.059 -0.110 0.000 0.893 234 L HN 0.405 nan 8.230 nan 0.000 0.432 235 G N -0.114 108.551 108.800 -0.225 0.000 2.404 235 G HA2 -0.283 3.665 3.960 -0.021 0.000 0.215 235 G HA3 -0.283 3.665 3.960 -0.021 0.000 0.215 235 G C 1.403 176.180 174.900 -0.205 0.000 1.174 235 G CA 0.563 45.516 45.100 -0.246 0.000 0.780 235 G HN 0.451 nan 8.290 nan 0.000 0.537 236 N N 0.839 119.358 118.700 -0.302 0.000 2.104 236 N HA -0.081 4.647 4.740 -0.021 0.000 0.190 236 N C 2.246 177.525 175.510 -0.386 0.000 1.024 236 N CA 0.987 53.710 53.050 -0.546 0.000 0.853 236 N CB -0.257 37.310 38.487 -1.534 0.000 1.008 236 N HN 0.346 nan 8.380 nan 0.000 0.424 237 I N 1.310 121.660 120.570 -0.368 0.000 2.179 237 I HA -0.248 3.909 4.170 -0.021 0.000 0.242 237 I C 1.713 177.768 176.117 -0.103 0.000 1.088 237 I CA 0.936 62.141 61.300 -0.159 0.000 1.357 237 I CB -0.301 37.626 38.000 -0.122 0.000 1.051 237 I HN 0.064 nan 8.210 nan 0.000 0.409 238 N N 0.313 118.890 118.700 -0.206 0.000 2.104 238 N HA -0.202 4.525 4.740 -0.021 0.000 0.190 238 N C 1.580 176.942 175.510 -0.246 0.000 1.024 238 N CA 1.530 54.408 53.050 -0.286 0.000 0.853 238 N CB -0.446 37.767 38.487 -0.458 0.000 1.008 238 N HN 0.438 nan 8.380 nan 0.000 0.424 239 W N 0.392 121.651 121.300 -0.068 0.000 2.381 239 W HA -0.031 4.616 4.660 -0.021 0.000 0.301 239 W C 2.365 178.890 176.519 0.010 0.000 1.205 239 W CA 0.026 57.350 57.345 -0.034 0.000 1.285 239 W CB -0.289 29.155 29.460 -0.026 0.000 1.133 239 W HN 0.057 nan 8.180 nan 0.000 0.521 240 M N 1.042 120.795 119.600 0.255 0.000 2.132 240 M HA 0.017 4.484 4.480 -0.021 0.000 0.263 240 M C 2.186 178.567 176.300 0.135 0.000 1.065 240 M CA 2.208 57.643 55.300 0.225 0.000 1.122 240 M CB -0.944 31.852 32.600 0.326 0.000 1.365 240 M HN -0.056 nan 8.290 nan 0.000 0.411 241 A N -0.191 122.680 122.820 0.084 0.000 1.978 241 A HA 0.009 4.316 4.320 -0.021 0.000 0.220 241 A C 2.319 179.920 177.584 0.028 0.000 1.170 241 A CA 1.918 53.980 52.037 0.041 0.000 0.636 241 A CB -1.381 17.619 19.000 0.002 0.000 0.810 241 A HN 0.644 nan 8.150 nan 0.000 0.448 242 A N -0.339 122.502 122.820 0.036 0.000 2.067 242 A HA -0.104 4.204 4.320 -0.021 0.000 0.219 242 A C 2.141 179.758 177.584 0.056 0.000 1.158 242 A CA 1.258 53.317 52.037 0.036 0.000 0.661 242 A CB -0.371 18.669 19.000 0.068 0.000 0.801 242 A HN 0.575 nan 8.150 nan 0.000 0.452 243 R N -0.504 120.039 120.500 0.072 0.000 2.240 243 R HA 0.005 4.332 4.340 -0.021 0.000 0.203 243 R C 1.693 178.010 176.300 0.027 0.000 1.011 243 R CA 0.891 57.022 56.100 0.051 0.000 1.007 243 R CB -0.115 30.220 30.300 0.058 0.000 0.911 243 R HN 0.645 nan 8.270 nan 0.000 0.468 244 E N 1.042 121.258 120.200 0.028 0.000 2.077 244 E HA -0.172 4.166 4.350 -0.021 0.000 0.193 244 E C 1.634 178.239 176.600 0.009 0.000 0.989 244 E CA 1.158 57.569 56.400 0.017 0.000 0.800 244 E CB 0.135 29.849 29.700 0.023 0.000 0.746 244 E HN 0.213 nan 8.360 nan 0.000 0.452 245 K N 0.501 120.906 120.400 0.009 0.000 2.097 245 K HA -0.087 4.220 4.320 -0.021 0.000 0.205 245 K C 1.538 178.141 176.600 0.006 0.000 1.050 245 K CA 0.813 57.104 56.287 0.007 0.000 0.938 245 K CB 0.164 32.666 32.500 0.004 0.000 0.718 245 K HN 0.021 nan 8.250 nan 0.000 0.442 246 E N 0.731 120.934 120.200 0.005 0.000 2.451 246 E HA 0.088 4.425 4.350 -0.021 0.000 0.194 246 E C -0.408 176.190 176.600 -0.004 0.000 1.027 246 E CA -0.168 56.233 56.400 0.002 0.000 0.914 246 E CB 0.273 29.974 29.700 0.002 0.000 1.054 246 E HN 0.226 nan 8.360 nan 0.000 0.461 247 L N 1.666 122.884 121.223 -0.009 0.000 2.514 247 L HA 0.035 4.363 4.340 -0.021 0.000 0.280 247 L C 0.436 177.294 176.870 -0.020 0.000 1.223 247 L CA 1.030 55.853 54.840 -0.028 0.000 0.864 247 L CB 0.190 42.217 42.059 -0.053 0.000 1.118 247 L HN 0.064 nan 8.230 nan 0.000 0.494 248 E N 2.865 123.048 120.200 -0.028 0.000 2.397 248 E HA 0.552 4.889 4.350 -0.021 0.000 0.293 248 E C -1.913 174.683 176.600 -0.006 0.000 0.930 248 E CA -0.579 55.820 56.400 -0.001 0.000 0.793 248 E CB 1.910 31.613 29.700 0.005 0.000 1.259 248 E HN 0.315 nan 8.360 nan 0.000 0.406 249 V N 0.854 120.787 119.914 0.031 0.000 3.000 249 V HA 0.508 4.616 4.120 -0.021 0.000 0.300 249 V C 0.028 176.210 176.094 0.147 0.000 1.251 249 V CA -1.039 61.294 62.300 0.055 0.000 0.972 249 V CB 1.271 33.088 31.823 -0.009 0.000 1.065 249 V HN 0.729 nan 8.190 nan 0.000 0.431 250 S N 1.443 117.220 115.700 0.129 0.000 2.568 250 S HA 0.549 5.006 4.470 -0.021 0.000 0.282 250 S C 1.381 176.102 174.600 0.202 0.000 1.338 250 S CA 0.533 58.815 58.200 0.136 0.000 1.045 250 S CB 0.800 64.057 63.200 0.096 0.000 0.873 250 S HN 2.831 nan 8.310 nan 0.000 0.516 251 G N 0.703 109.594 108.800 0.152 0.000 2.199 251 G HA2 -0.232 3.715 3.960 -0.021 0.000 0.254 251 G HA3 -0.232 3.715 3.960 -0.021 0.000 0.254 251 G C -0.425 174.508 174.900 0.054 0.000 0.982 251 G CA 0.003 45.165 45.100 0.105 0.000 0.632 251 G HN 0.711 nan 8.290 nan 0.000 0.529 252 W N 1.193 122.502 121.300 0.014 0.000 2.785 252 W HA 0.635 5.283 4.660 -0.020 0.000 0.333 252 W C 0.762 177.287 176.519 0.010 0.000 1.062 252 W CA 0.042 57.396 57.345 0.015 0.000 1.233 252 W CB 1.436 30.912 29.460 0.025 0.000 1.413 252 W HN 0.409 nan 8.180 nan 0.000 0.489 253 T N -1.136 113.532 114.554 0.189 0.000 2.847 253 T HA 0.238 4.575 4.350 -0.021 0.000 0.279 253 T C 1.105 175.904 174.700 0.165 0.000 0.984 253 T CA -0.569 61.609 62.100 0.130 0.000 0.988 253 T CB 1.662 70.565 68.868 0.058 0.000 1.040 253 T HN 0.569 nan 8.240 nan 0.000 0.528 254 K N 0.316 120.779 120.400 0.105 0.000 2.057 254 K HA -0.074 4.233 4.320 -0.021 0.000 0.207 254 K C 2.401 179.053 176.600 0.087 0.000 1.049 254 K CA 1.247 57.587 56.287 0.087 0.000 0.931 254 K CB -0.792 31.741 32.500 0.055 0.000 0.714 254 K HN 0.740 nan 8.250 nan 0.000 0.440 255 A N 1.126 123.991 122.820 0.074 0.000 1.969 255 A HA -0.155 4.153 4.320 -0.021 0.000 0.218 255 A C 1.789 179.425 177.584 0.086 0.000 1.169 255 A CA 1.439 53.513 52.037 0.063 0.000 0.635 255 A CB -0.349 18.675 19.000 0.040 0.000 0.810 255 A HN 0.435 nan 8.150 nan 0.000 0.445 256 E N -0.187 120.089 120.200 0.127 0.000 2.077 256 E HA -0.135 4.202 4.350 -0.021 0.000 0.193 256 E C 1.906 178.696 176.600 0.316 0.000 0.989 256 E CA 1.115 57.635 56.400 0.199 0.000 0.800 256 E CB -0.251 29.562 29.700 0.188 0.000 0.746 256 E HN 0.626 nan 8.360 nan 0.000 0.452 257 L N 0.633 122.030 121.223 0.289 0.000 2.093 257 L HA -0.176 4.152 4.340 -0.021 0.000 0.208 257 L C 2.557 179.462 176.870 0.059 0.000 1.085 257 L CA 0.970 55.887 54.840 0.129 0.000 0.755 257 L CB -0.200 41.896 42.059 0.062 0.000 0.904 257 L HN 0.087 nan 8.230 nan 0.000 0.435 258 E N 0.650 120.890 120.200 0.066 0.000 2.153 258 E HA -0.190 4.148 4.350 -0.021 0.000 0.194 258 E C 2.111 178.735 176.600 0.039 0.000 0.988 258 E CA 1.318 57.744 56.400 0.043 0.000 0.811 258 E CB -0.078 29.647 29.700 0.042 0.000 0.746 258 E HN 0.358 nan 8.360 nan 0.000 0.466 259 A N 0.498 123.348 122.820 0.050 0.000 1.978 259 A HA -0.157 4.151 4.320 -0.021 0.000 0.220 259 A C 2.189 179.772 177.584 -0.002 0.000 1.170 259 A CA 1.472 53.528 52.037 0.031 0.000 0.636 259 A CB -0.689 18.329 19.000 0.030 0.000 0.810 259 A HN 0.364 nan 8.150 nan 0.000 0.448 260 L N -0.255 120.959 121.223 -0.016 0.000 2.217 260 L HA -0.086 4.241 4.340 -0.021 0.000 0.211 260 L C 1.880 178.738 176.870 -0.021 0.000 1.107 260 L CA 0.788 55.581 54.840 -0.077 0.000 0.783 260 L CB -1.585 40.406 42.059 -0.112 0.000 0.919 260 L HN 0.647 nan 8.230 nan 0.000 0.442 261 T N -1.503 113.053 114.554 0.004 0.000 2.787 261 T HA -0.266 4.071 4.350 -0.021 0.000 0.125 261 T C -2.109 172.612 174.700 0.036 0.000 1.630 261 T CA 0.050 62.164 62.100 0.023 0.000 0.701 261 T CB -2.909 65.978 68.868 0.033 0.000 0.768 261 T HN 0.152 nan 8.240 nan 0.000 0.376 262 P HA 0.049 nan 4.420 nan 0.000 0.238 262 P C 0.986 178.337 177.300 0.085 0.000 1.090 262 P CA 0.259 63.399 63.100 0.066 0.000 0.944 262 P CB -0.273 31.470 31.700 0.072 0.000 0.881 263 I N 2.681 123.300 120.570 0.082 0.000 2.353 263 I HA -0.072 4.085 4.170 -0.021 0.000 0.248 263 I C 1.363 177.569 176.117 0.150 0.000 1.119 263 I CA 1.207 62.567 61.300 0.100 0.000 1.417 263 I CB -0.375 37.676 38.000 0.085 0.000 1.078 263 I HN 0.065 nan 8.210 nan 0.000 0.421 264 V N 1.038 121.043 119.914 0.152 0.000 3.001 264 V HA 0.503 4.611 4.120 -0.021 0.000 0.314 264 V C -0.444 175.729 176.094 0.132 0.000 1.099 264 V CA -0.799 61.612 62.300 0.185 0.000 0.989 264 V CB 2.731 34.682 31.823 0.214 0.000 1.040 264 V HN 0.281 nan 8.190 nan 0.000 0.434 265 N N 1.124 119.901 118.700 0.128 0.000 2.537 265 N HA 0.191 4.919 4.740 -0.021 0.000 0.281 265 N C 0.482 176.021 175.510 0.049 0.000 1.097 265 N CA -0.445 52.649 53.050 0.073 0.000 0.964 265 N CB 2.301 40.830 38.487 0.070 0.000 1.588 265 N HN 0.762 nan 8.380 nan 0.000 0.511 266 Q N 1.675 121.485 119.800 0.016 0.000 2.364 266 Q HA -0.018 4.309 4.340 -0.021 0.000 0.209 266 Q C 1.078 177.077 176.000 -0.001 0.000 0.977 266 Q CA 1.273 57.076 55.803 0.001 0.000 0.885 266 Q CB -0.032 28.695 28.738 -0.017 0.000 0.941 266 Q HN 0.532 nan 8.270 nan 0.000 0.464 267 A N 1.261 124.077 122.820 -0.007 0.000 2.119 267 A HA -0.035 4.272 4.320 -0.021 0.000 0.217 267 A C 0.720 178.278 177.584 -0.043 0.000 1.153 267 A CA 0.309 52.332 52.037 -0.023 0.000 0.692 267 A CB -0.051 18.933 19.000 -0.027 0.000 0.799 267 A HN 0.249 nan 8.150 nan 0.000 0.458 268 N N 0.209 118.886 118.700 -0.039 0.000 2.472 268 N HA 0.347 5.075 4.740 -0.021 0.000 0.289 268 N C 0.124 175.649 175.510 0.025 0.000 1.156 268 N CA 0.248 53.247 53.050 -0.084 0.000 0.940 268 N CB 1.307 39.694 38.487 -0.166 0.000 1.200 268 N HN 0.331 nan 8.380 nan 0.000 0.511 269 S N -0.320 115.409 115.700 0.048 0.000 2.589 269 S HA 0.014 4.471 4.470 -0.021 0.000 0.265 269 S C 0.956 175.674 174.600 0.197 0.000 1.342 269 S CA -0.290 57.981 58.200 0.119 0.000 1.005 269 S CB 0.618 63.897 63.200 0.131 0.000 0.909 269 S HN 0.607 nan 8.310 nan 0.000 0.555 270 D N 1.840 122.356 120.400 0.193 0.000 2.104 270 D HA -0.162 4.465 4.640 -0.021 0.000 0.194 270 D C 1.728 178.190 176.300 0.271 0.000 0.994 270 D CA 2.035 56.178 54.000 0.238 0.000 0.830 270 D CB -1.183 39.756 40.800 0.231 0.000 0.959 270 D HN 0.477 nan 8.370 nan 0.000 0.452 271 S N -0.720 115.164 115.700 0.306 0.000 2.368 271 S HA -0.146 4.312 4.470 -0.021 0.000 0.225 271 S C 1.792 176.511 174.600 0.199 0.000 1.030 271 S CA 0.851 59.219 58.200 0.280 0.000 0.999 271 S CB -0.825 62.587 63.200 0.353 0.000 0.844 271 S HN 0.378 nan 8.310 nan 0.000 0.459 272 Y N 3.062 123.433 120.300 0.119 0.000 2.114 272 Y HA -0.207 4.331 4.550 -0.021 0.000 0.282 272 Y C 2.307 178.275 175.900 0.114 0.000 1.165 272 Y CA 1.673 59.836 58.100 0.106 0.000 1.148 272 Y CB -0.344 38.174 38.460 0.097 0.000 0.972 272 Y HN 0.225 nan 8.280 nan 0.000 0.504 273 N N 0.101 119.017 118.700 0.360 0.000 2.188 273 N HA -0.181 4.547 4.740 -0.021 0.000 0.184 273 N C 1.982 177.605 175.510 0.188 0.000 1.018 273 N CA 1.213 54.468 53.050 0.341 0.000 0.858 273 N CB -0.338 38.415 38.487 0.443 0.000 0.989 273 N HN 0.411 nan 8.380 nan 0.000 0.426 274 L N 0.908 122.196 121.223 0.107 0.000 2.027 274 L HA -0.189 4.138 4.340 -0.021 0.000 0.206 274 L C 2.039 178.761 176.870 -0.247 0.000 1.074 274 L CA 1.447 56.162 54.840 -0.207 0.000 0.745 274 L CB -0.328 41.615 42.059 -0.193 0.000 0.898 274 L HN 0.061 nan 8.230 nan 0.000 0.433 275 D N -1.121 119.191 120.400 -0.146 0.000 2.123 275 D HA -0.233 4.395 4.640 -0.021 0.000 0.196 275 D C 2.305 178.503 176.300 -0.170 0.000 0.992 275 D CA 1.613 55.520 54.000 -0.156 0.000 0.833 275 D CB 0.140 40.855 40.800 -0.142 0.000 0.954 275 D HN 0.166 nan 8.370 nan 0.000 0.455 276 S N -1.097 114.515 115.700 -0.146 0.000 2.355 276 S HA -0.092 4.366 4.470 -0.021 0.000 0.222 276 S C 2.084 176.639 174.600 -0.076 0.000 1.031 276 S CA 1.467 59.623 58.200 -0.075 0.000 0.993 276 S CB -0.574 62.620 63.200 -0.010 0.000 0.859 276 S HN 0.370 nan 8.310 nan 0.000 0.453 277 A N 1.304 124.040 122.820 -0.140 0.000 1.902 277 A HA 0.013 4.320 4.320 -0.021 0.000 0.217 277 A C 2.192 179.604 177.584 -0.286 0.000 1.181 277 A CA 1.643 53.551 52.037 -0.215 0.000 0.623 277 A CB -0.935 17.815 19.000 -0.417 0.000 0.818 277 A HN 0.584 nan 8.150 nan 0.000 0.443 278 L N -0.124 120.890 121.223 -0.349 0.000 2.046 278 L HA -0.154 4.174 4.340 -0.021 0.000 0.208 278 L C 2.311 179.007 176.870 -0.289 0.000 1.077 278 L CA 2.638 57.273 54.840 -0.341 0.000 0.747 278 L CB -0.416 41.428 42.059 -0.358 0.000 0.896 278 L HN 0.589 nan 8.230 nan 0.000 0.432 279 E N -0.790 119.258 120.200 -0.254 0.000 2.106 279 E HA -0.259 4.078 4.350 -0.021 0.000 0.192 279 E C 2.182 178.555 176.600 -0.379 0.000 0.984 279 E CA 1.221 57.430 56.400 -0.319 0.000 0.806 279 E CB -0.205 29.315 29.700 -0.300 0.000 0.750 279 E HN 0.483 nan 8.360 nan 0.000 0.458 280 L N 0.900 122.002 121.223 -0.202 0.000 1.990 280 L HA -0.220 4.108 4.340 -0.021 0.000 0.213 280 L C 2.076 178.821 176.870 -0.209 0.000 1.072 280 L CA 1.743 56.499 54.840 -0.139 0.000 0.755 280 L CB -0.469 41.550 42.059 -0.065 0.000 0.889 280 L HN 0.229 nan 8.230 nan 0.000 0.432 281 L N -1.649 119.452 121.223 -0.203 0.000 2.042 281 L HA -0.223 4.104 4.340 -0.021 0.000 0.210 281 L C 2.465 179.229 176.870 -0.176 0.000 1.076 281 L CA 1.267 55.998 54.840 -0.183 0.000 0.749 281 L CB -0.844 41.097 42.059 -0.198 0.000 0.893 281 L HN 0.174 nan 8.230 nan 0.000 0.432 282 V N -0.268 119.513 119.914 -0.222 0.000 2.295 282 V HA -0.221 3.886 4.120 -0.021 0.000 0.246 282 V C 2.577 178.578 176.094 -0.156 0.000 1.049 282 V CA 1.588 63.767 62.300 -0.202 0.000 1.024 282 V CB -0.582 31.095 31.823 -0.243 0.000 0.648 282 V HN 0.426 nan 8.190 nan 0.000 0.447 283 R N 0.630 120.999 120.500 -0.218 0.000 2.280 283 R HA -0.023 4.305 4.340 -0.021 0.000 0.207 283 R C 1.913 178.324 176.300 0.184 0.000 1.043 283 R CA 1.348 57.410 56.100 -0.064 0.000 1.006 283 R CB -0.895 29.258 30.300 -0.244 0.000 0.885 283 R HN 0.736 nan 8.270 nan 0.000 0.467 284 T N -3.657 110.895 114.554 -0.004 0.000 3.145 284 T HA 0.345 4.683 4.350 -0.021 0.000 0.255 284 T C 1.038 175.778 174.700 0.067 0.000 1.039 284 T CA 0.400 62.501 62.100 0.001 0.000 0.928 284 T CB 0.742 69.417 68.868 -0.321 0.000 1.029 284 T HN 0.296 nan 8.240 nan 0.000 0.554 285 G N 1.102 109.936 108.800 0.057 0.000 2.200 285 G HA2 -0.082 3.866 3.960 -0.021 0.000 0.145 285 G HA3 -0.082 3.866 3.960 -0.021 0.000 0.145 285 G C -0.102 174.817 174.900 0.031 0.000 1.021 285 G CA -0.908 44.231 45.100 0.064 0.000 0.720 285 G HN 0.566 nan 8.290 nan 0.000 0.494 286 R N 0.721 121.211 120.500 -0.016 0.000 2.732 286 R HA 0.678 5.005 4.340 -0.021 0.000 0.278 286 R C 0.695 176.944 176.300 -0.085 0.000 0.976 286 R CA 0.048 56.126 56.100 -0.036 0.000 0.963 286 R CB 1.596 31.864 30.300 -0.053 0.000 1.150 286 R HN 0.412 nan 8.270 nan 0.000 0.478 287 S N 1.567 117.213 115.700 -0.090 0.000 2.593 287 S HA 0.132 4.589 4.470 -0.021 0.000 0.269 287 S C -1.751 172.730 174.600 -0.198 0.000 1.334 287 S CA -1.055 57.070 58.200 -0.124 0.000 1.015 287 S CB 1.008 64.145 63.200 -0.104 0.000 0.912 287 S HN 0.336 nan 8.310 nan 0.000 0.541 288 P HA -0.055 nan 4.420 nan 0.000 0.219 288 P C 1.310 178.242 177.300 -0.613 0.000 1.146 288 P CA 0.996 63.816 63.100 -0.468 0.000 0.808 288 P CB -0.088 31.338 31.700 -0.457 0.000 0.779 289 L N -0.535 120.489 121.223 -0.332 0.000 2.027 289 L HA -0.163 4.165 4.340 -0.021 0.000 0.206 289 L C 2.634 179.371 176.870 -0.221 0.000 1.074 289 L CA 1.616 56.330 54.840 -0.211 0.000 0.745 289 L CB -0.965 41.056 42.059 -0.064 0.000 0.898 289 L HN -0.001 nan 8.230 nan 0.000 0.433 290 E N 0.345 120.428 120.200 -0.196 0.000 2.072 290 E HA -0.239 4.098 4.350 -0.021 0.000 0.191 290 E C 2.247 178.740 176.600 -0.179 0.000 0.985 290 E CA 1.089 57.386 56.400 -0.170 0.000 0.801 290 E CB -0.006 29.637 29.700 -0.095 0.000 0.750 290 E HN 0.439 nan 8.360 nan 0.000 0.452 291 A N 1.333 124.013 122.820 -0.233 0.000 1.892 291 A HA -0.200 4.107 4.320 -0.021 0.000 0.218 291 A C 2.410 179.819 177.584 -0.291 0.000 1.188 291 A CA 2.123 53.998 52.037 -0.270 0.000 0.631 291 A CB -0.893 17.917 19.000 -0.317 0.000 0.822 291 A HN 0.426 nan 8.150 nan 0.000 0.447 292 A N -0.959 121.657 122.820 -0.340 0.000 1.930 292 A HA -0.076 4.232 4.320 -0.021 0.000 0.217 292 A C 2.225 179.736 177.584 -0.122 0.000 1.175 292 A CA 1.711 53.587 52.037 -0.268 0.000 0.627 292 A CB -0.519 18.296 19.000 -0.308 0.000 0.815 292 A HN 0.539 nan 8.150 nan 0.000 0.443 293 M N -0.827 118.717 119.600 -0.094 0.000 2.213 293 M HA -0.103 4.365 4.480 -0.021 0.000 0.263 293 M C 1.876 178.249 176.300 0.122 0.000 1.062 293 M CA 1.438 56.761 55.300 0.038 0.000 1.105 293 M CB -0.406 32.141 32.600 -0.088 0.000 1.385 293 M HN 0.432 nan 8.290 nan 0.000 0.417 294 I N -0.560 119.977 120.570 -0.055 0.000 2.339 294 I HA -0.209 3.949 4.170 -0.021 0.000 0.245 294 I C 2.054 178.124 176.117 -0.078 0.000 1.096 294 I CA 0.882 62.086 61.300 -0.159 0.000 1.408 294 I CB -0.187 37.577 38.000 -0.392 0.000 1.092 294 I HN 0.218 nan 8.210 nan 0.000 0.423 295 L N 0.011 121.149 121.223 -0.141 0.000 2.179 295 L HA -0.003 4.325 4.340 -0.021 0.000 0.208 295 L C 0.582 177.445 176.870 -0.012 0.000 1.096 295 L CA 0.690 55.428 54.840 -0.170 0.000 0.779 295 L CB 0.051 41.815 42.059 -0.492 0.000 0.922 295 L HN 0.049 nan 8.230 nan 0.000 0.443 296 V N 0.847 120.761 119.914 -0.000 0.000 2.468 296 V HA 0.234 4.341 4.120 -0.021 0.000 0.256 296 V C -2.322 173.819 176.094 0.078 0.000 0.998 296 V CA -1.135 61.203 62.300 0.063 0.000 1.114 296 V CB 0.520 32.367 31.823 0.042 0.000 1.378 296 V HN 0.037 nan 8.190 nan 0.000 0.573 297 P HA 0.183 nan 4.420 nan 0.000 0.275 297 P C 0.114 177.406 177.300 -0.013 0.000 1.227 297 P CA -0.004 63.147 63.100 0.083 0.000 0.781 297 P CB 1.244 33.024 31.700 0.134 0.000 0.906 298 E N 1.573 121.708 120.200 -0.109 0.000 2.467 298 E HA 0.105 4.442 4.350 -0.021 0.000 0.264 298 E C 0.073 176.670 176.600 -0.006 0.000 1.020 298 E CA -0.252 56.114 56.400 -0.055 0.000 0.945 298 E CB 0.348 30.012 29.700 -0.060 0.000 0.942 298 E HN 0.467 nan 8.360 nan 0.000 0.449 299 A N 4.795 127.640 122.820 0.042 0.000 2.666 299 A HA 0.046 4.354 4.320 -0.021 0.000 0.301 299 A C 0.184 177.791 177.584 0.038 0.000 1.470 299 A CA -0.163 51.896 52.037 0.037 0.000 1.159 299 A CB -0.613 18.397 19.000 0.017 0.000 1.116 299 A HN 0.706 nan 8.150 nan 0.000 0.548 300 Y N 1.489 121.760 120.300 -0.048 0.000 2.490 300 Y HA 0.260 4.798 4.550 -0.020 0.000 0.285 300 Y C 0.678 176.594 175.900 0.026 0.000 1.117 300 Y CA -0.381 57.713 58.100 -0.009 0.000 1.262 300 Y CB 0.097 38.550 38.460 -0.013 0.000 1.043 300 Y HN 0.252 nan 8.280 nan 0.000 0.553 301 K N 2.604 122.650 120.400 -0.589 0.000 2.326 301 K HA -0.010 4.297 4.320 -0.021 0.000 0.275 301 K C 0.061 176.561 176.600 -0.166 0.000 1.018 301 K CA 0.205 56.245 56.287 -0.413 0.000 0.962 301 K CB 0.090 32.328 32.500 -0.437 0.000 0.953 301 K HN 0.508 nan 8.250 nan 0.000 0.475 302 N N 1.090 119.729 118.700 -0.102 0.000 2.716 302 N HA -0.231 4.497 4.740 -0.021 0.000 0.250 302 N C -0.414 175.070 175.510 -0.045 0.000 1.033 302 N CA 0.749 53.761 53.050 -0.064 0.000 0.727 302 N CB -1.166 37.277 38.487 -0.073 0.000 0.950 302 N HN 0.535 nan 8.380 nan 0.000 0.541 303 Q N 0.287 120.077 119.800 -0.017 0.000 2.466 303 Q HA 0.418 4.746 4.340 -0.021 0.000 0.242 303 Q C -1.858 174.152 176.000 0.016 0.000 1.046 303 Q CA -1.842 53.967 55.803 0.009 0.000 0.841 303 Q CB 1.317 30.085 28.738 0.051 0.000 1.193 303 Q HN -0.070 nan 8.270 nan 0.000 0.508 304 P HA -0.189 nan 4.420 nan 0.000 0.217 304 P C 0.512 177.828 177.300 0.028 0.000 1.148 304 P CA 1.610 64.712 63.100 0.003 0.000 0.828 304 P CB 0.203 31.894 31.700 -0.014 0.000 0.783 305 A N -0.998 121.856 122.820 0.056 0.000 2.131 305 A HA -0.120 4.188 4.320 -0.021 0.000 0.220 305 A C 1.948 179.538 177.584 0.010 0.000 1.158 305 A CA 1.157 53.259 52.037 0.109 0.000 0.665 305 A CB -1.378 17.766 19.000 0.239 0.000 0.795 305 A HN 0.203 nan 8.150 nan 0.000 0.460 306 L N -1.623 119.582 121.223 -0.030 0.000 2.607 306 L HA 0.083 4.411 4.340 -0.021 0.000 0.228 306 L C 2.038 178.928 176.870 0.034 0.000 1.123 306 L CA 0.072 54.874 54.840 -0.062 0.000 0.890 306 L CB -0.093 41.942 42.059 -0.040 0.000 1.103 306 L HN 0.331 nan 8.230 nan 0.000 0.468 307 K N 0.405 120.815 120.400 0.017 0.000 2.113 307 K HA -0.199 4.109 4.320 -0.021 0.000 0.208 307 K C 0.938 177.497 176.600 -0.069 0.000 1.047 307 K CA 1.507 57.787 56.287 -0.013 0.000 0.928 307 K CB 0.097 32.587 32.500 -0.016 0.000 0.716 307 K HN 0.260 nan 8.250 nan 0.000 0.446 308 D N -1.069 119.238 120.400 -0.154 0.000 2.349 308 D HA -0.040 4.588 4.640 -0.021 0.000 0.224 308 D C -0.334 175.622 176.300 -0.574 0.000 1.029 308 D CA 0.741 54.509 54.000 -0.387 0.000 0.879 308 D CB 0.221 40.684 40.800 -0.563 0.000 0.906 308 D HN 0.223 nan 8.370 nan 0.000 0.528 309 Y N -0.042 120.192 120.300 -0.110 0.000 2.495 309 Y HA 0.225 4.762 4.550 -0.021 0.000 0.362 309 Y C -1.524 174.334 175.900 -0.070 0.000 0.956 309 Y CA -1.702 56.328 58.100 -0.117 0.000 1.127 309 Y CB 1.226 39.546 38.460 -0.233 0.000 1.173 309 Y HN -0.084 nan 8.280 nan 0.000 0.639 310 P HA -0.180 nan 4.420 nan 0.000 0.219 310 P C 0.702 178.049 177.300 0.079 0.000 1.146 310 P CA 1.514 64.649 63.100 0.057 0.000 0.808 310 P CB 0.540 32.254 31.700 0.023 0.000 0.779 311 E N -0.402 119.844 120.200 0.077 0.000 2.204 311 E HA -0.077 4.260 4.350 -0.021 0.000 0.194 311 E C 2.158 178.820 176.600 0.103 0.000 0.989 311 E CA 0.605 57.058 56.400 0.088 0.000 0.824 311 E CB -0.424 29.318 29.700 0.070 0.000 0.756 311 E HN 0.303 nan 8.360 nan 0.000 0.477 312 I N 0.833 121.452 120.570 0.081 0.000 2.252 312 I HA -0.239 3.918 4.170 -0.021 0.000 0.245 312 I C 2.291 178.469 176.117 0.103 0.000 1.102 312 I CA 0.802 62.125 61.300 0.038 0.000 1.385 312 I CB -0.143 37.858 38.000 0.001 0.000 1.064 312 I HN -0.009 nan 8.210 nan 0.000 0.414 313 S N 0.555 116.336 115.700 0.134 0.000 2.370 313 S HA -0.201 4.256 4.470 -0.021 0.000 0.226 313 S C 1.588 176.234 174.600 0.077 0.000 1.033 313 S CA 1.464 59.761 58.200 0.163 0.000 1.011 313 S CB -0.391 62.959 63.200 0.250 0.000 0.852 313 S HN 0.433 nan 8.310 nan 0.000 0.457 314 D N 0.884 121.343 120.400 0.099 0.000 2.097 314 D HA -0.076 4.552 4.640 -0.021 0.000 0.195 314 D C 1.575 177.884 176.300 0.016 0.000 0.989 314 D CA 0.776 54.832 54.000 0.095 0.000 0.827 314 D CB -0.470 40.401 40.800 0.119 0.000 0.966 314 D HN 0.404 nan 8.370 nan 0.000 0.456 315 F N 1.406 121.222 119.950 -0.223 0.000 2.065 315 F HA -0.279 4.235 4.527 -0.021 0.000 0.298 315 F C 2.479 178.031 175.800 -0.414 0.000 1.112 315 F CA 1.738 59.411 58.000 -0.545 0.000 1.212 315 F CB -0.101 38.599 39.000 -0.500 0.000 0.975 315 F HN 0.073 nan 8.300 nan 0.000 0.476 316 H N -0.850 118.160 119.070 -0.100 0.000 2.428 316 H HA -0.103 4.441 4.556 -0.021 0.000 0.296 316 H C 1.850 176.931 175.328 -0.411 0.000 1.062 316 H CA 1.391 57.210 56.048 -0.381 0.000 1.350 316 H CB -0.589 28.624 29.762 -0.915 0.000 1.403 316 H HN 0.342 nan 8.280 nan 0.000 0.533 317 D N 0.399 120.680 120.400 -0.198 0.000 2.104 317 D HA -0.194 4.434 4.640 -0.021 0.000 0.194 317 D C 2.123 178.424 176.300 0.002 0.000 0.994 317 D CA 0.909 54.953 54.000 0.074 0.000 0.830 317 D CB -0.283 40.612 40.800 0.159 0.000 0.959 317 D HN 0.301 nan 8.370 nan 0.000 0.452 318 Y N -0.083 120.065 120.300 -0.254 0.000 2.092 318 Y HA -0.248 4.290 4.550 -0.021 0.000 0.282 318 Y C 2.167 177.737 175.900 -0.550 0.000 1.126 318 Y CA 1.814 59.680 58.100 -0.391 0.000 1.111 318 Y CB -0.857 37.287 38.460 -0.527 0.000 0.987 318 Y HN 0.005 nan 8.280 nan 0.000 0.489 319 Y N 0.480 120.505 120.300 -0.458 0.000 2.333 319 Y HA -0.240 4.298 4.550 -0.021 0.000 0.290 319 Y C 2.924 178.586 175.900 -0.397 0.000 1.144 319 Y CA 1.480 59.284 58.100 -0.493 0.000 1.228 319 Y CB -0.693 37.467 38.460 -0.501 0.000 0.985 319 Y HN 0.313 nan 8.280 nan 0.000 0.542 320 S N -0.898 114.689 115.700 -0.187 0.000 2.440 320 S HA -0.148 4.309 4.470 -0.021 0.000 0.238 320 S C 2.159 176.359 174.600 -0.666 0.000 1.010 320 S CA 1.104 59.199 58.200 -0.175 0.000 0.972 320 S CB -0.886 62.381 63.200 0.112 0.000 0.774 320 S HN 0.459 nan 8.310 nan 0.000 0.501 321 G N 0.180 108.341 108.800 -1.065 0.000 2.683 321 G HA2 0.314 4.261 3.960 -0.021 0.000 0.213 321 G HA3 0.314 4.261 3.960 -0.021 0.000 0.213 321 G C 1.147 175.610 174.900 -0.729 0.000 1.142 321 G CA 0.269 44.502 45.100 -1.444 0.000 0.793 321 G HN 0.482 nan 8.290 nan 0.000 0.534 322 L N -1.361 119.527 121.223 -0.558 0.000 2.500 322 L HA 0.382 4.709 4.340 -0.021 0.000 0.219 322 L C 0.541 177.284 176.870 -0.212 0.000 1.057 322 L CA 0.511 55.126 54.840 -0.375 0.000 0.854 322 L CB 0.590 42.405 42.059 -0.406 0.000 1.078 322 L HN 0.156 nan 8.230 nan 0.000 0.480 323 Q N 0.763 120.474 119.800 -0.149 0.000 2.269 323 Q HA 0.243 4.570 4.340 -0.021 0.000 0.263 323 Q C -0.982 175.022 176.000 0.006 0.000 0.983 323 Q CA -0.547 55.239 55.803 -0.029 0.000 0.777 323 Q CB 1.306 30.073 28.738 0.048 0.000 1.273 323 Q HN 0.145 nan 8.270 nan 0.000 0.440 324 E N 4.157 124.365 120.200 0.014 0.000 2.366 324 E HA 0.413 4.751 4.350 -0.021 0.000 0.266 324 E C -2.279 174.435 176.600 0.191 0.000 1.051 324 E CA -1.773 54.671 56.400 0.072 0.000 0.884 324 E CB 0.382 30.093 29.700 0.018 0.000 1.006 324 E HN 0.383 nan 8.360 nan 0.000 0.417 325 P HA 0.004 nan 4.420 nan 0.000 0.268 325 P C -0.923 176.566 177.300 0.315 0.000 1.205 325 P CA -0.046 63.203 63.100 0.248 0.000 0.771 325 P CB 0.197 32.007 31.700 0.184 0.000 0.858 326 W N 2.974 124.307 121.300 0.054 0.000 2.365 326 W HA 0.198 4.845 4.660 -0.021 0.000 0.371 326 W C 0.513 177.066 176.519 0.056 0.000 1.006 326 W CA 0.293 57.669 57.345 0.052 0.000 1.528 326 W CB -0.534 28.939 29.460 0.022 0.000 1.497 326 W HN 0.293 nan 8.180 nan 0.000 0.367 327 D N 0.742 121.264 120.400 0.205 0.000 2.423 327 D HA 0.647 5.275 4.640 -0.021 0.000 0.255 327 D C 0.624 177.010 176.300 0.144 0.000 1.174 327 D CA 0.428 54.523 54.000 0.159 0.000 1.008 327 D CB 1.590 42.467 40.800 0.127 0.000 1.101 327 D HN 0.468 nan 8.370 nan 0.000 0.516 328 G N 0.233 109.104 108.800 0.118 0.000 2.440 328 G HA2 -0.007 3.941 3.960 -0.021 0.000 0.684 328 G HA3 -0.007 3.941 3.960 -0.021 0.000 0.684 328 G C -2.921 172.044 174.900 0.108 0.000 1.309 328 G CA -1.050 44.114 45.100 0.106 0.000 0.931 328 G HN 0.433 nan 8.290 nan 0.000 0.612 329 P HA 0.468 nan 4.420 nan 0.000 0.266 329 P C -0.077 177.312 177.300 0.148 0.000 1.195 329 P CA 0.942 64.086 63.100 0.073 0.000 0.768 329 P CB 1.227 32.957 31.700 0.050 0.000 0.838 330 A N 2.871 125.780 122.820 0.147 0.000 2.513 330 A HA 0.549 4.857 4.320 -0.021 0.000 0.296 330 A C -1.864 175.820 177.584 0.167 0.000 1.052 330 A CA -0.489 51.680 52.037 0.220 0.000 0.714 330 A CB 0.888 20.053 19.000 0.276 0.000 1.279 330 A HN 0.472 nan 8.150 nan 0.000 0.397 331 L N 3.472 124.793 121.223 0.163 0.000 2.298 331 L HA 0.742 5.069 4.340 -0.021 0.000 0.284 331 L C -1.277 175.712 176.870 0.199 0.000 1.013 331 L CA -0.360 54.561 54.840 0.136 0.000 0.824 331 L CB 0.815 42.918 42.059 0.072 0.000 1.221 331 L HN 0.585 nan 8.230 nan 0.000 0.418 332 L N 6.111 127.458 121.223 0.206 0.000 2.295 332 L HA 0.699 5.026 4.340 -0.021 0.000 0.285 332 L C -0.738 176.208 176.870 0.126 0.000 1.035 332 L CA -0.905 54.091 54.840 0.260 0.000 0.806 332 L CB 1.715 43.981 42.059 0.346 0.000 1.214 332 L HN 0.321 nan 8.230 nan 0.000 0.426 333 V N 3.708 123.667 119.914 0.076 0.000 2.588 333 V HA 0.585 4.693 4.120 -0.021 0.000 0.304 333 V C -0.607 175.422 176.094 -0.109 0.000 1.042 333 V CA -0.545 61.645 62.300 -0.183 0.000 0.877 333 V CB 1.525 33.321 31.823 -0.045 0.000 0.996 333 V HN 0.586 nan 8.190 nan 0.000 0.425 334 F N 1.447 121.356 119.950 -0.067 0.000 2.613 334 F HA 0.902 5.417 4.527 -0.021 0.000 0.310 334 F C -0.373 175.315 175.800 -0.188 0.000 1.085 334 F CA -1.180 56.761 58.000 -0.099 0.000 0.945 334 F CB 2.056 40.987 39.000 -0.115 0.000 1.298 334 F HN 0.362 nan 8.300 nan 0.000 0.455 335 S N 0.465 116.202 115.700 0.062 0.000 2.572 335 S HA 0.269 4.726 4.470 -0.021 0.000 0.274 335 S C -0.371 174.181 174.600 -0.079 0.000 1.150 335 S CA -0.517 57.606 58.200 -0.128 0.000 0.944 335 S CB 1.480 64.423 63.200 -0.428 0.000 1.071 335 S HN 0.763 nan 8.310 nan 0.000 0.479 336 D N 3.040 123.361 120.400 -0.133 0.000 2.310 336 D HA 0.118 4.746 4.640 -0.021 0.000 0.212 336 D C 1.715 177.938 176.300 -0.129 0.000 0.965 336 D CA 1.848 55.772 54.000 -0.127 0.000 0.879 336 D CB -0.106 40.609 40.800 -0.141 0.000 0.921 336 D HN 1.080 nan 8.370 nan 0.000 0.510 337 G N 0.189 108.849 108.800 -0.233 0.000 2.234 337 G HA2 -0.398 3.549 3.960 -0.021 0.000 0.260 337 G HA3 -0.398 3.549 3.960 -0.021 0.000 0.260 337 G C 1.415 176.190 174.900 -0.208 0.000 0.987 337 G CA 0.955 45.943 45.100 -0.187 0.000 0.625 337 G HN 0.424 nan 8.290 nan 0.000 0.532 338 K N -1.171 119.100 120.400 -0.214 0.000 2.344 338 K HA 0.492 4.800 4.320 -0.021 0.000 0.200 338 K C 0.421 176.892 176.600 -0.215 0.000 1.132 338 K CA 0.241 56.425 56.287 -0.171 0.000 0.935 338 K CB 0.601 33.030 32.500 -0.118 0.000 1.089 338 K HN 0.295 nan 8.250 nan 0.000 0.496 339 I N 0.487 120.913 120.570 -0.241 0.000 2.530 339 I HA 0.241 4.398 4.170 -0.021 0.000 0.297 339 I C -1.280 174.608 176.117 -0.383 0.000 1.011 339 I CA -0.839 60.311 61.300 -0.251 0.000 1.107 339 I CB 2.105 40.016 38.000 -0.148 0.000 1.285 339 I HN -0.274 nan 8.210 nan 0.000 0.436 340 V N 5.824 125.438 119.914 -0.501 0.000 2.656 340 V HA 1.014 5.121 4.120 -0.021 0.000 0.307 340 V C -0.406 175.143 176.094 -0.908 0.000 1.051 340 V CA 0.153 62.017 62.300 -0.727 0.000 0.893 340 V CB 1.304 32.596 31.823 -0.885 0.000 0.999 340 V HN 0.846 nan 8.190 nan 0.000 0.426 341 G N 3.800 111.956 108.800 -1.074 0.000 2.600 341 G HA2 0.937 4.884 3.960 -0.021 0.000 0.293 341 G HA3 0.937 4.884 3.960 -0.021 0.000 0.293 341 G C -1.296 172.879 174.900 -1.208 0.000 1.408 341 G CA -0.196 44.317 45.100 -0.978 0.000 0.782 341 G HN 1.659 nan 8.290 nan 0.000 0.482 342 A N -1.508 120.945 122.820 -0.612 0.000 2.572 342 A HA 1.003 5.311 4.320 -0.021 0.000 0.295 342 A C -0.221 177.317 177.584 -0.077 0.000 1.072 342 A CA 0.046 51.858 52.037 -0.375 0.000 0.691 342 A CB 1.860 20.850 19.000 -0.016 0.000 1.291 342 A HN 2.248 nan 8.150 nan 0.000 0.404 343 G N -0.089 108.756 108.800 0.075 0.000 2.704 343 G HA2 0.596 4.544 3.960 -0.021 0.000 0.293 343 G HA3 0.596 4.544 3.960 -0.021 0.000 0.293 343 G C -1.434 173.533 174.900 0.112 0.000 1.421 343 G CA -0.584 44.587 45.100 0.118 0.000 0.870 343 G HN 0.700 nan 8.290 nan 0.000 0.492 344 L N 1.126 122.398 121.223 0.081 0.000 2.334 344 L HA 0.399 4.727 4.340 -0.021 0.000 0.270 344 L C 0.441 177.360 176.870 0.082 0.000 1.018 344 L CA -1.140 53.749 54.840 0.082 0.000 0.811 344 L CB 1.812 43.908 42.059 0.061 0.000 1.271 344 L HN 0.800 nan 8.230 nan 0.000 0.443 345 D N 1.368 121.821 120.400 0.089 0.000 2.352 345 D HA -0.074 4.553 4.640 -0.021 0.000 0.238 345 D C 0.895 177.233 176.300 0.063 0.000 1.286 345 D CA -0.437 53.613 54.000 0.084 0.000 0.923 345 D CB 0.722 41.575 40.800 0.089 0.000 1.146 345 D HN 0.623 nan 8.370 nan 0.000 0.471 346 R N 0.249 120.787 120.500 0.063 0.000 2.193 346 R HA -0.120 4.207 4.340 -0.021 0.000 0.229 346 R C 0.656 176.986 176.300 0.050 0.000 1.110 346 R CA 1.003 57.135 56.100 0.054 0.000 0.988 346 R CB -0.394 29.943 30.300 0.060 0.000 0.871 346 R HN 0.328 nan 8.270 nan 0.000 0.458 347 N N 0.280 119.004 118.700 0.040 0.000 2.205 347 N HA 0.064 4.791 4.740 -0.021 0.000 0.201 347 N C 0.174 175.704 175.510 0.033 0.000 1.128 347 N CA 0.843 53.913 53.050 0.034 0.000 0.867 347 N CB 1.222 39.699 38.487 -0.016 0.000 0.996 347 N HN 0.485 nan 8.380 nan 0.000 0.503 348 G N 1.720 110.543 108.800 0.039 0.000 2.350 348 G HA2 -0.240 3.708 3.960 -0.021 0.000 0.298 348 G HA3 -0.240 3.708 3.960 -0.021 0.000 0.298 348 G C 0.569 175.499 174.900 0.049 0.000 1.037 348 G CA 0.059 45.192 45.100 0.056 0.000 1.074 348 G HN 0.360 nan 8.290 nan 0.000 0.511 349 L N -1.140 120.078 121.223 -0.009 0.000 2.592 349 L HA 0.296 4.624 4.340 -0.021 0.000 0.227 349 L C 1.198 178.154 176.870 0.143 0.000 1.127 349 L CA 0.028 54.812 54.840 -0.094 0.000 0.884 349 L CB -0.119 41.755 42.059 -0.309 0.000 1.065 349 L HN 0.135 nan 8.230 nan 0.000 0.457 350 R N 0.542 121.119 120.500 0.128 0.000 2.740 350 R HA 0.516 4.844 4.340 -0.021 0.000 0.282 350 R C -2.572 173.791 176.300 0.105 0.000 0.969 350 R CA -2.489 53.689 56.100 0.131 0.000 0.918 350 R CB 0.861 31.212 30.300 0.085 0.000 1.175 350 R HN -0.257 nan 8.270 nan 0.000 0.464 351 P HA 0.425 nan 4.420 nan 0.000 0.277 351 P C -1.269 176.044 177.300 0.021 0.000 1.240 351 P CA -0.554 62.569 63.100 0.038 0.000 0.798 351 P CB 1.263 32.962 31.700 -0.001 0.000 0.979 352 A N 2.841 125.670 122.820 0.016 0.000 2.476 352 A HA 0.519 4.826 4.320 -0.021 0.000 0.280 352 A C -0.382 177.212 177.584 0.016 0.000 1.081 352 A CA -0.693 51.353 52.037 0.015 0.000 0.753 352 A CB 1.166 20.186 19.000 0.034 0.000 1.248 352 A HN 0.370 nan 8.150 nan 0.000 0.424 353 R N 1.163 121.657 120.500 -0.012 0.000 2.664 353 R HA 0.709 5.037 4.340 -0.021 0.000 0.286 353 R C -1.315 174.981 176.300 -0.007 0.000 0.967 353 R CA -0.335 55.729 56.100 -0.060 0.000 0.933 353 R CB 1.896 32.145 30.300 -0.084 0.000 1.146 353 R HN 0.856 nan 8.270 nan 0.000 0.468 354 Y N -2.129 118.101 120.300 -0.117 0.000 2.615 354 Y HA 0.668 5.205 4.550 -0.021 0.000 0.341 354 Y C -1.085 174.747 175.900 -0.113 0.000 1.089 354 Y CA -1.335 56.680 58.100 -0.141 0.000 1.049 354 Y CB 1.399 39.754 38.460 -0.175 0.000 1.296 354 Y HN 0.557 nan 8.280 nan 0.000 0.470 355 C N 3.150 122.531 119.300 0.135 0.000 2.686 355 C HA 0.830 5.277 4.460 -0.021 0.000 0.318 355 C C -1.196 173.878 174.990 0.140 0.000 1.160 355 C CA -0.662 58.393 59.018 0.061 0.000 1.396 355 C CB 0.183 27.934 27.740 0.018 0.000 1.924 355 C HN 0.816 nan 8.230 nan 0.000 0.471 356 I N 4.910 125.553 120.570 0.122 0.000 2.498 356 I HA 0.440 4.598 4.170 -0.021 0.000 0.290 356 I C 0.721 176.904 176.117 0.111 0.000 1.032 356 I CA -0.042 61.336 61.300 0.129 0.000 1.073 356 I CB 2.584 40.661 38.000 0.127 0.000 1.251 356 I HN 0.813 nan 8.210 nan 0.000 0.426 357 T N 0.995 115.632 114.554 0.138 0.000 2.862 357 T HA 0.275 4.612 4.350 -0.021 0.000 0.276 357 T C 0.985 175.747 174.700 0.104 0.000 0.974 357 T CA -0.688 61.482 62.100 0.117 0.000 0.966 357 T CB 1.202 70.136 68.868 0.111 0.000 1.072 357 T HN 0.774 nan 8.240 nan 0.000 0.538 358 K N -0.152 120.301 120.400 0.087 0.000 2.360 358 K HA -0.075 4.233 4.320 -0.021 0.000 0.201 358 K C 0.608 177.252 176.600 0.074 0.000 1.046 358 K CA 1.416 57.748 56.287 0.075 0.000 0.945 358 K CB -0.150 32.387 32.500 0.062 0.000 0.750 358 K HN 0.507 nan 8.250 nan 0.000 0.464 359 D N 1.421 121.875 120.400 0.090 0.000 2.342 359 D HA -0.011 4.617 4.640 -0.021 0.000 0.221 359 D C -0.445 175.927 176.300 0.121 0.000 1.101 359 D CA 0.156 54.216 54.000 0.099 0.000 0.837 359 D CB 0.235 41.096 40.800 0.103 0.000 0.938 359 D HN 0.180 nan 8.370 nan 0.000 0.508 360 D N 0.195 120.664 120.400 0.115 0.000 2.983 360 D HA -0.259 4.368 4.640 -0.021 0.000 0.225 360 D C -0.064 176.318 176.300 0.136 0.000 1.174 360 D CA 0.578 54.640 54.000 0.104 0.000 0.831 360 D CB -1.999 38.840 40.800 0.065 0.000 1.104 360 D HN 0.458 nan 8.370 nan 0.000 0.421 361 Y N 0.391 120.722 120.300 0.052 0.000 2.425 361 Y HA 0.353 4.890 4.550 -0.021 0.000 0.331 361 Y C 0.622 176.559 175.900 0.061 0.000 1.157 361 Y CA 0.211 58.347 58.100 0.060 0.000 1.372 361 Y CB 0.545 39.036 38.460 0.052 0.000 1.253 361 Y HN 0.157 nan 8.280 nan 0.000 0.536 362 I N 5.586 126.155 120.570 -0.002 0.000 2.647 362 I HA 0.596 4.753 4.170 -0.021 0.000 0.295 362 I C -1.840 174.257 176.117 -0.032 0.000 1.078 362 I CA -0.814 60.508 61.300 0.036 0.000 1.048 362 I CB 1.627 39.645 38.000 0.028 0.000 1.239 362 I HN 0.341 nan 8.210 nan 0.000 0.421 363 V N 7.702 127.598 119.914 -0.030 0.000 2.577 363 V HA 0.524 4.631 4.120 -0.021 0.000 0.303 363 V C -0.775 175.199 176.094 -0.201 0.000 1.042 363 V CA -0.550 61.697 62.300 -0.089 0.000 0.872 363 V CB 1.888 33.748 31.823 0.061 0.000 0.998 363 V HN 0.623 nan 8.190 nan 0.000 0.423 364 L N 3.999 124.951 121.223 -0.452 0.000 2.401 364 L HA 1.061 5.389 4.340 -0.021 0.000 0.266 364 L C -0.040 176.674 176.870 -0.259 0.000 0.991 364 L CA 0.183 54.777 54.840 -0.409 0.000 0.818 364 L CB 2.182 43.745 42.059 -0.827 0.000 1.321 364 L HN 0.811 nan 8.230 nan 0.000 0.413 365 G N 0.980 109.713 108.800 -0.111 0.000 2.608 365 G HA2 0.274 4.222 3.960 -0.021 0.000 0.291 365 G HA3 0.274 4.222 3.960 -0.021 0.000 0.291 365 G C -0.167 174.715 174.900 -0.031 0.000 1.425 365 G CA 0.076 45.146 45.100 -0.051 0.000 0.787 365 G HN 0.519 nan 8.290 nan 0.000 0.484 366 S N -0.607 115.080 115.700 -0.021 0.000 2.419 366 S HA 0.005 4.463 4.470 -0.021 0.000 0.235 366 S C 0.711 175.307 174.600 -0.006 0.000 1.019 366 S CA 1.347 59.537 58.200 -0.016 0.000 0.982 366 S CB -0.127 63.058 63.200 -0.026 0.000 0.789 366 S HN 0.525 nan 8.310 nan 0.000 0.490 367 E N -1.515 118.691 120.200 0.011 0.000 2.343 367 E HA 0.570 4.907 4.350 -0.021 0.000 0.270 367 E C 0.104 176.707 176.600 0.004 0.000 0.895 367 E CA -0.301 56.104 56.400 0.009 0.000 0.767 367 E CB 1.766 31.491 29.700 0.043 0.000 1.248 367 E HN 0.103 nan 8.360 nan 0.000 0.440 368 A N 1.642 124.452 122.820 -0.017 0.000 2.072 368 A HA 0.053 4.361 4.320 -0.021 0.000 0.216 368 A C 1.874 179.459 177.584 0.001 0.000 1.156 368 A CA 1.136 53.161 52.037 -0.020 0.000 0.701 368 A CB -0.524 18.446 19.000 -0.050 0.000 0.816 368 A HN 0.736 nan 8.150 nan 0.000 0.458 369 G N 0.100 108.905 108.800 0.008 0.000 2.549 369 G HA2 -0.155 3.793 3.960 -0.021 0.000 0.222 369 G HA3 -0.155 3.793 3.960 -0.021 0.000 0.222 369 G C 1.350 176.265 174.900 0.025 0.000 1.100 369 G CA 1.716 46.828 45.100 0.020 0.000 0.739 369 G HN 1.087 nan 8.290 nan 0.000 0.577 370 V N -2.845 117.083 119.914 0.024 0.000 3.471 370 V HA 0.426 4.533 4.120 -0.021 0.000 0.258 370 V C 0.453 176.543 176.094 -0.006 0.000 1.192 370 V CA -0.128 62.180 62.300 0.012 0.000 1.116 370 V CB 0.367 32.200 31.823 0.018 0.000 0.792 370 V HN -0.040 nan 8.190 nan 0.000 0.459 371 V N 3.378 123.299 119.914 0.012 0.000 2.487 371 V HA 0.448 4.556 4.120 -0.021 0.000 0.298 371 V C -1.083 175.019 176.094 0.013 0.000 1.028 371 V CA -0.636 61.670 62.300 0.011 0.000 0.860 371 V CB 1.718 33.568 31.823 0.045 0.000 0.991 371 V HN 0.631 nan 8.190 nan 0.000 0.427 372 D N 5.609 126.008 120.400 -0.002 0.000 2.336 372 D HA 0.361 4.988 4.640 -0.021 0.000 0.249 372 D C -0.490 175.797 176.300 -0.021 0.000 1.213 372 D CA -0.145 53.850 54.000 -0.008 0.000 0.870 372 D CB 1.171 41.961 40.800 -0.016 0.000 1.076 372 D HN 0.310 nan 8.370 nan 0.000 0.483 373 L N 2.690 123.907 121.223 -0.010 0.000 2.331 373 L HA 0.419 4.747 4.340 -0.021 0.000 0.275 373 L C -2.126 174.732 176.870 -0.020 0.000 1.022 373 L CA -2.270 52.553 54.840 -0.027 0.000 0.812 373 L CB 1.448 43.509 42.059 0.004 0.000 1.257 373 L HN 0.148 nan 8.230 nan 0.000 0.435 374 P HA 0.022 nan 4.420 nan 0.000 0.263 374 P C 0.252 177.556 177.300 0.007 0.000 1.195 374 P CA -0.070 63.014 63.100 -0.027 0.000 0.762 374 P CB 0.588 32.269 31.700 -0.031 0.000 0.799 375 E N 2.023 122.224 120.200 0.002 0.000 2.118 375 E HA -0.124 4.214 4.350 -0.021 0.000 0.195 375 E C 1.770 178.411 176.600 0.068 0.000 0.992 375 E CA 0.907 57.345 56.400 0.062 0.000 0.804 375 E CB -0.340 29.387 29.700 0.045 0.000 0.741 375 E HN 0.237 nan 8.360 nan 0.000 0.458 376 V N 2.641 122.569 119.914 0.023 0.000 2.568 376 V HA -0.246 3.862 4.120 -0.021 0.000 0.253 376 V C 0.991 177.111 176.094 0.043 0.000 1.072 376 V CA 2.500 64.810 62.300 0.018 0.000 1.084 376 V CB -0.374 31.448 31.823 -0.001 0.000 0.676 376 V HN 0.270 nan 8.190 nan 0.000 0.469 377 D N -1.478 118.953 120.400 0.051 0.000 2.368 377 D HA 0.166 4.794 4.640 -0.021 0.000 0.218 377 D C 0.399 176.759 176.300 0.099 0.000 1.112 377 D CA -0.153 53.884 54.000 0.062 0.000 0.834 377 D CB -0.381 40.439 40.800 0.032 0.000 0.953 377 D HN 0.460 nan 8.370 nan 0.000 0.505 378 I N 0.712 121.372 120.570 0.150 0.000 2.416 378 I HA 0.027 4.184 4.170 -0.021 0.000 0.288 378 I C 0.873 177.141 176.117 0.251 0.000 1.051 378 I CA -0.364 61.050 61.300 0.190 0.000 1.375 378 I CB 2.036 40.179 38.000 0.238 0.000 1.407 378 I HN -0.117 nan 8.210 nan 0.000 0.516 379 V N 5.099 125.097 119.914 0.140 0.000 3.085 379 V HA 0.131 4.238 4.120 -0.021 0.000 0.245 379 V C 0.465 176.567 176.094 0.014 0.000 1.114 379 V CA 0.803 63.176 62.300 0.123 0.000 1.108 379 V CB 0.314 32.193 31.823 0.094 0.000 0.798 379 V HN 0.813 nan 8.190 nan 0.000 0.471 380 E N 0.322 120.465 120.200 -0.094 0.000 2.321 380 E HA 0.384 4.721 4.350 -0.021 0.000 0.278 380 E C -1.307 175.088 176.600 -0.342 0.000 0.902 380 E CA -0.646 55.621 56.400 -0.221 0.000 0.758 380 E CB 1.754 31.428 29.700 -0.042 0.000 1.213 380 E HN 0.157 nan 8.360 nan 0.000 0.426 381 K N 2.308 122.379 120.400 -0.549 0.000 2.394 381 K HA 0.563 4.871 4.320 -0.021 0.000 0.260 381 K C -0.441 175.846 176.600 -0.521 0.000 0.967 381 K CA -0.580 55.415 56.287 -0.486 0.000 0.855 381 K CB 1.961 34.175 32.500 -0.476 0.000 1.101 381 K HN 0.571 nan 8.250 nan 0.000 0.433 382 G N 1.920 110.217 108.800 -0.838 0.000 3.105 382 G HA2 0.724 4.671 3.960 -0.021 0.000 0.277 382 G HA3 0.724 4.671 3.960 -0.021 0.000 0.277 382 G C -1.270 173.044 174.900 -0.978 0.000 1.375 382 G CA -0.818 43.682 45.100 -1.000 0.000 0.962 382 G HN 0.624 nan 8.290 nan 0.000 0.541 383 R N -1.417 118.735 120.500 -0.581 0.000 2.692 383 R HA 0.530 4.858 4.340 -0.021 0.000 0.269 383 R C -1.620 174.731 176.300 0.085 0.000 1.030 383 R CA -0.968 55.027 56.100 -0.175 0.000 0.882 383 R CB 0.996 31.221 30.300 -0.126 0.000 1.250 383 R HN 0.374 nan 8.270 nan 0.000 0.465 384 L N 2.091 123.383 121.223 0.115 0.000 2.281 384 L HA 0.555 4.882 4.340 -0.021 0.000 0.285 384 L C 0.540 177.430 176.870 0.034 0.000 1.074 384 L CA -0.652 54.235 54.840 0.079 0.000 0.817 384 L CB 1.400 43.499 42.059 0.068 0.000 1.168 384 L HN 0.854 nan 8.230 nan 0.000 0.434 385 A N 5.877 128.703 122.820 0.011 0.000 2.246 385 A HA 0.645 4.952 4.320 -0.021 0.000 0.291 385 A C -2.364 175.225 177.584 0.009 0.000 1.103 385 A CA -1.605 50.434 52.037 0.005 0.000 0.844 385 A CB -0.133 18.857 19.000 -0.016 0.000 1.136 385 A HN 0.466 nan 8.150 nan 0.000 0.500 386 P HA 0.175 nan 4.420 nan 0.000 0.261 386 P C 0.904 178.215 177.300 0.019 0.000 1.173 386 P CA 2.205 65.325 63.100 0.033 0.000 0.760 386 P CB 0.325 32.053 31.700 0.046 0.000 0.783 387 G N 1.681 110.497 108.800 0.027 0.000 2.189 387 G HA2 -0.284 3.663 3.960 -0.021 0.000 0.267 387 G HA3 -0.284 3.663 3.960 -0.021 0.000 0.267 387 G C 0.180 175.074 174.900 -0.009 0.000 0.975 387 G CA -0.155 44.958 45.100 0.023 0.000 0.644 387 G HN 0.578 nan 8.290 nan 0.000 0.537 388 Q N -0.368 119.412 119.800 -0.033 0.000 2.306 388 Q HA 0.722 5.049 4.340 -0.021 0.000 0.241 388 Q C 0.622 176.591 176.000 -0.052 0.000 0.948 388 Q CA 0.129 55.876 55.803 -0.093 0.000 0.886 388 Q CB 0.787 29.463 28.738 -0.103 0.000 1.227 388 Q HN 0.533 nan 8.270 nan 0.000 0.457 389 M N 1.589 121.136 119.600 -0.089 0.000 2.690 389 M HA 0.642 5.109 4.480 -0.021 0.000 0.302 389 M C -0.921 175.319 176.300 -0.100 0.000 1.234 389 M CA -0.845 54.426 55.300 -0.049 0.000 0.853 389 M CB 2.200 34.794 32.600 -0.009 0.000 1.748 389 M HN 0.577 nan 8.290 nan 0.000 0.469 390 I N 0.497 121.007 120.570 -0.099 0.000 2.913 390 I HA 0.910 5.067 4.170 -0.021 0.000 0.302 390 I C -1.788 174.256 176.117 -0.121 0.000 1.246 390 I CA -0.360 60.849 61.300 -0.151 0.000 1.010 390 I CB 2.092 39.914 38.000 -0.297 0.000 1.259 390 I HN 0.902 nan 8.210 nan 0.000 0.434 391 A N 4.961 127.702 122.820 -0.132 0.000 2.602 391 A HA 0.830 5.137 4.320 -0.021 0.000 0.290 391 A C -2.050 175.436 177.584 -0.163 0.000 1.114 391 A CA -0.520 51.407 52.037 -0.184 0.000 0.683 391 A CB 1.884 20.799 19.000 -0.142 0.000 1.281 391 A HN 0.407 nan 8.150 nan 0.000 0.416 392 V N 1.379 121.154 119.914 -0.232 0.000 2.588 392 V HA 0.438 4.545 4.120 -0.021 0.000 0.304 392 V C -1.189 174.801 176.094 -0.175 0.000 1.042 392 V CA -0.508 61.690 62.300 -0.171 0.000 0.877 392 V CB 1.916 33.638 31.823 -0.169 0.000 0.996 392 V HN 0.893 nan 8.190 nan 0.000 0.425 393 D N 4.018 124.346 120.400 -0.120 0.000 2.396 393 D HA 0.323 4.950 4.640 -0.021 0.000 0.225 393 D C 0.846 177.088 176.300 -0.095 0.000 1.121 393 D CA -0.147 53.787 54.000 -0.110 0.000 0.853 393 D CB 1.586 42.337 40.800 -0.081 0.000 1.043 393 D HN 0.408 nan 8.370 nan 0.000 0.500 394 L N 3.148 124.302 121.223 -0.115 0.000 2.056 394 L HA -0.109 4.218 4.340 -0.021 0.000 0.207 394 L C 2.450 179.290 176.870 -0.049 0.000 1.078 394 L CA 1.257 56.046 54.840 -0.085 0.000 0.749 394 L CB -0.252 41.745 42.059 -0.104 0.000 0.901 394 L HN 0.447 nan 8.230 nan 0.000 0.433 395 A N -0.352 122.436 122.820 -0.052 0.000 1.898 395 A HA -0.164 4.144 4.320 -0.021 0.000 0.216 395 A C 2.112 179.678 177.584 -0.029 0.000 1.181 395 A CA 1.323 53.340 52.037 -0.035 0.000 0.620 395 A CB -0.317 18.661 19.000 -0.037 0.000 0.819 395 A HN 0.429 nan 8.150 nan 0.000 0.442 396 E N -0.579 119.600 120.200 -0.036 0.000 2.435 396 E HA -0.042 4.295 4.350 -0.021 0.000 0.195 396 E C -0.407 176.180 176.600 -0.021 0.000 1.029 396 E CA 0.353 56.736 56.400 -0.028 0.000 0.865 396 E CB -0.066 29.614 29.700 -0.033 0.000 0.833 396 E HN 0.671 nan 8.360 nan 0.000 0.510 397 Q N 0.102 119.887 119.800 -0.024 0.000 2.464 397 Q HA -0.177 4.150 4.340 -0.021 0.000 0.304 397 Q C -0.841 175.151 176.000 -0.013 0.000 1.401 397 Q CA 0.665 56.459 55.803 -0.013 0.000 0.806 397 Q CB -1.266 27.473 28.738 0.001 0.000 1.134 397 Q HN 0.021 nan 8.270 nan 0.000 0.411 398 K N 0.252 120.636 120.400 -0.027 0.000 2.422 398 K HA 0.624 4.932 4.320 -0.021 0.000 0.251 398 K C -0.691 175.886 176.600 -0.038 0.000 0.933 398 K CA -0.567 55.705 56.287 -0.025 0.000 0.798 398 K CB 1.618 34.102 32.500 -0.027 0.000 1.238 398 K HN 0.106 nan 8.250 nan 0.000 0.428 399 I N 4.121 124.673 120.570 -0.029 0.000 2.342 399 I HA 0.269 4.426 4.170 -0.021 0.000 0.291 399 I C -0.671 175.416 176.117 -0.051 0.000 1.010 399 I CA -0.549 60.724 61.300 -0.044 0.000 1.308 399 I CB 0.619 38.599 38.000 -0.033 0.000 1.400 399 I HN 0.265 nan 8.210 nan 0.000 0.488 400 L N 7.231 128.410 121.223 -0.072 0.000 2.287 400 L HA 0.493 4.821 4.340 -0.021 0.000 0.287 400 L C -0.010 176.805 176.870 -0.090 0.000 1.022 400 L CA -0.905 53.894 54.840 -0.069 0.000 0.814 400 L CB 0.841 42.856 42.059 -0.073 0.000 1.217 400 L HN 0.461 nan 8.230 nan 0.000 0.420 401 K N 1.551 121.906 120.400 -0.076 0.000 2.090 401 K HA 0.199 4.506 4.320 -0.021 0.000 0.249 401 K C 0.575 177.099 176.600 -0.126 0.000 0.995 401 K CA -0.611 55.617 56.287 -0.099 0.000 0.914 401 K CB 1.251 33.716 32.500 -0.058 0.000 1.057 401 K HN 0.434 nan 8.250 nan 0.000 0.462 402 N N 0.971 119.555 118.700 -0.194 0.000 2.096 402 N HA -0.284 4.443 4.740 -0.021 0.000 0.198 402 N C 1.527 176.844 175.510 -0.322 0.000 1.017 402 N CA 2.184 55.041 53.050 -0.320 0.000 0.889 402 N CB -0.411 37.764 38.487 -0.521 0.000 1.081 402 N HN 0.573 nan 8.380 nan 0.000 0.549 403 Y N 0.249 120.418 120.300 -0.219 0.000 2.457 403 Y HA -0.049 4.489 4.550 -0.021 0.000 0.292 403 Y C 2.431 178.155 175.900 -0.294 0.000 1.125 403 Y CA 0.481 58.325 58.100 -0.425 0.000 1.254 403 Y CB 0.008 37.925 38.460 -0.905 0.000 1.012 403 Y HN 0.347 nan 8.280 nan 0.000 0.555 404 Q N 0.422 120.215 119.800 -0.012 0.000 2.084 404 Q HA -0.171 4.156 4.340 -0.021 0.000 0.202 404 Q C 2.059 178.040 176.000 -0.031 0.000 0.978 404 Q CA 1.772 57.582 55.803 0.012 0.000 0.844 404 Q CB -0.449 28.297 28.738 0.014 0.000 0.898 404 Q HN 0.543 nan 8.270 nan 0.000 0.426 405 I N 1.262 121.793 120.570 -0.064 0.000 2.127 405 I HA -0.290 3.868 4.170 -0.021 0.000 0.241 405 I C 2.296 178.348 176.117 -0.107 0.000 1.075 405 I CA 1.533 62.783 61.300 -0.083 0.000 1.334 405 I CB -0.211 37.735 38.000 -0.090 0.000 1.040 405 I HN 0.142 nan 8.210 nan 0.000 0.405 406 K N 0.097 120.432 120.400 -0.109 0.000 2.097 406 K HA -0.208 4.099 4.320 -0.021 0.000 0.205 406 K C 2.184 178.676 176.600 -0.179 0.000 1.050 406 K CA 1.056 57.241 56.287 -0.170 0.000 0.938 406 K CB -0.189 32.269 32.500 -0.070 0.000 0.718 406 K HN 0.330 nan 8.250 nan 0.000 0.442 407 Q N 1.148 120.898 119.800 -0.082 0.000 2.084 407 Q HA -0.219 4.109 4.340 -0.021 0.000 0.202 407 Q C 2.058 178.039 176.000 -0.032 0.000 0.978 407 Q CA 1.470 57.267 55.803 -0.010 0.000 0.844 407 Q CB 0.145 28.955 28.738 0.119 0.000 0.898 407 Q HN 0.380 nan 8.270 nan 0.000 0.426 408 Q N -0.491 119.280 119.800 -0.047 0.000 2.050 408 Q HA -0.173 4.155 4.340 -0.021 0.000 0.202 408 Q C 2.049 178.009 176.000 -0.067 0.000 0.980 408 Q CA 1.402 57.175 55.803 -0.051 0.000 0.840 408 Q CB -0.154 28.552 28.738 -0.052 0.000 0.898 408 Q HN 0.456 nan 8.270 nan 0.000 0.424 409 A N 0.910 123.658 122.820 -0.120 0.000 1.902 409 A HA -0.105 4.203 4.320 -0.021 0.000 0.217 409 A C 2.238 179.807 177.584 -0.026 0.000 1.181 409 A CA 1.621 53.584 52.037 -0.124 0.000 0.623 409 A CB -0.658 18.165 19.000 -0.294 0.000 0.818 409 A HN 0.405 nan 8.150 nan 0.000 0.443 410 A N 0.126 122.872 122.820 -0.123 0.000 2.014 410 A HA -0.114 4.194 4.320 -0.021 0.000 0.218 410 A C 2.043 179.748 177.584 0.200 0.000 1.163 410 A CA 1.370 53.463 52.037 0.094 0.000 0.652 410 A CB -0.528 18.437 19.000 -0.058 0.000 0.808 410 A HN 0.780 nan 8.150 nan 0.000 0.449 411 Q N -0.505 119.327 119.800 0.053 0.000 2.444 411 Q HA 0.105 4.432 4.340 -0.021 0.000 0.206 411 Q C 1.141 177.082 176.000 -0.097 0.000 0.948 411 Q CA 0.467 56.261 55.803 -0.015 0.000 0.946 411 Q CB -0.120 28.600 28.738 -0.030 0.000 1.027 411 Q HN 0.533 nan 8.270 nan 0.000 0.513 412 K N -0.088 120.268 120.400 -0.074 0.000 2.148 412 K HA -0.020 4.287 4.320 -0.021 0.000 0.204 412 K C -0.341 175.864 176.600 -0.658 0.000 1.050 412 K CA 0.945 57.058 56.287 -0.289 0.000 0.942 412 K CB 0.201 32.601 32.500 -0.166 0.000 0.724 412 K HN 0.216 nan 8.250 nan 0.000 0.446 413 Y N -0.745 119.265 120.300 -0.482 0.000 2.588 413 Y HA 0.213 4.750 4.550 -0.021 0.000 0.343 413 Y C -2.323 172.933 175.900 -1.074 0.000 1.065 413 Y CA -2.636 54.914 58.100 -0.917 0.000 1.038 413 Y CB 1.640 39.230 38.460 -1.451 0.000 1.297 413 Y HN -0.137 nan 8.280 nan 0.000 0.467 414 P HA 0.140 nan 4.420 nan 0.000 0.220 414 P C -0.024 176.660 177.300 -1.026 0.000 1.806 414 P CA 0.182 62.809 63.100 -0.788 0.000 0.976 414 P CB -0.635 30.724 31.700 -0.570 0.000 1.952 415 Y N 0.823 120.659 120.300 -0.773 0.000 2.102 415 Y HA -0.265 4.273 4.550 -0.021 0.000 0.280 415 Y C 2.803 178.559 175.900 -0.240 0.000 1.178 415 Y CA 1.744 59.477 58.100 -0.611 0.000 1.146 415 Y CB -1.258 36.959 38.460 -0.405 0.000 0.968 415 Y HN 0.206 nan 8.280 nan 0.000 0.504 416 G N -0.432 108.363 108.800 -0.008 0.000 2.440 416 G HA2 -0.260 3.688 3.960 -0.021 0.000 0.218 416 G HA3 -0.260 3.688 3.960 -0.021 0.000 0.218 416 G C 1.426 176.351 174.900 0.042 0.000 1.154 416 G CA 1.177 46.302 45.100 0.041 0.000 0.767 416 G HN 0.417 nan 8.290 nan 0.000 0.552 417 E N -0.570 119.611 120.200 -0.031 0.000 2.051 417 E HA -0.136 4.201 4.350 -0.021 0.000 0.192 417 E C 2.319 179.027 176.600 0.180 0.000 0.991 417 E CA 0.922 57.341 56.400 0.032 0.000 0.799 417 E CB -0.147 29.537 29.700 -0.028 0.000 0.748 417 E HN 0.562 nan 8.360 nan 0.000 0.449 418 W N 0.671 121.968 121.300 -0.004 0.000 2.338 418 W HA -0.141 4.506 4.660 -0.022 0.000 0.304 418 W C 2.046 178.600 176.519 0.057 0.000 1.212 418 W CA 0.624 57.974 57.345 0.008 0.000 1.264 418 W CB -0.936 28.505 29.460 -0.032 0.000 1.142 418 W HN 0.128 nan 8.180 nan 0.000 0.512 419 I N 0.226 120.985 120.570 0.316 0.000 2.202 419 I HA -0.288 3.869 4.170 -0.021 0.000 0.242 419 I C 2.427 178.636 176.117 0.154 0.000 1.091 419 I CA 1.342 62.777 61.300 0.225 0.000 1.368 419 I CB -0.638 37.489 38.000 0.211 0.000 1.058 419 I HN -0.158 nan 8.210 nan 0.000 0.410 420 K N 0.422 120.901 120.400 0.132 0.000 2.160 420 K HA -0.203 4.104 4.320 -0.021 0.000 0.206 420 K C 2.058 178.708 176.600 0.084 0.000 1.047 420 K CA 1.573 57.916 56.287 0.094 0.000 0.930 420 K CB -0.189 32.358 32.500 0.077 0.000 0.720 420 K HN 0.334 nan 8.250 nan 0.000 0.450 421 I N 0.264 120.895 120.570 0.102 0.000 2.494 421 I HA -0.185 3.972 4.170 -0.021 0.000 0.250 421 I C 2.303 178.458 176.117 0.063 0.000 1.112 421 I CA 0.841 62.189 61.300 0.080 0.000 1.438 421 I CB 0.269 38.328 38.000 0.098 0.000 1.111 421 I HN 0.072 nan 8.210 nan 0.000 0.431 422 Q N -0.127 119.719 119.800 0.076 0.000 2.349 422 Q HA 0.122 4.450 4.340 -0.021 0.000 0.209 422 Q C 1.007 177.037 176.000 0.050 0.000 0.920 422 Q CA 0.208 56.039 55.803 0.048 0.000 0.901 422 Q CB 0.092 28.852 28.738 0.037 0.000 1.021 422 Q HN 0.320 nan 8.270 nan 0.000 0.519 423 R N 1.901 122.446 120.500 0.075 0.000 2.340 423 R HA 0.120 4.447 4.340 -0.021 0.000 0.300 423 R C -0.320 176.013 176.300 0.055 0.000 1.069 423 R CA 0.088 56.235 56.100 0.077 0.000 0.984 423 R CB 0.570 30.938 30.300 0.114 0.000 1.003 423 R HN -0.016 nan 8.270 nan 0.000 0.459 424 Q N 2.909 122.733 119.800 0.040 0.000 2.293 424 Q HA 0.238 4.565 4.340 -0.021 0.000 0.261 424 Q C -1.295 174.710 176.000 0.008 0.000 0.960 424 Q CA -0.579 55.237 55.803 0.020 0.000 0.882 424 Q CB 1.891 30.634 28.738 0.009 0.000 1.275 424 Q HN 0.583 nan 8.270 nan 0.000 0.445 425 T N 3.091 117.643 114.554 -0.003 0.000 2.767 425 T HA 0.403 4.740 4.350 -0.021 0.000 0.284 425 T C -0.821 173.855 174.700 -0.039 0.000 0.973 425 T CA -0.425 61.658 62.100 -0.028 0.000 0.996 425 T CB 1.172 70.028 68.868 -0.021 0.000 0.927 425 T HN 0.402 nan 8.240 nan 0.000 0.456 426 V N 3.108 122.986 119.914 -0.059 0.000 2.357 426 V HA 0.825 4.933 4.120 -0.021 0.000 0.284 426 V C -0.100 175.946 176.094 -0.079 0.000 1.018 426 V CA -0.517 61.746 62.300 -0.062 0.000 0.841 426 V CB 0.915 32.703 31.823 -0.058 0.000 0.991 426 V HN 1.103 nan 8.190 nan 0.000 0.437 427 A N 3.820 126.593 122.820 -0.078 0.000 2.566 427 A HA 0.847 5.155 4.320 -0.021 0.000 0.297 427 A C -0.782 176.742 177.584 -0.099 0.000 1.059 427 A CA -0.502 51.480 52.037 -0.093 0.000 0.691 427 A CB 2.225 21.177 19.000 -0.081 0.000 1.282 427 A HN 0.715 nan 8.150 nan 0.000 0.401 428 S N 0.446 116.064 115.700 -0.138 0.000 2.619 428 S HA 0.460 4.918 4.470 -0.021 0.000 0.280 428 S C -0.526 173.951 174.600 -0.205 0.000 1.150 428 S CA -0.501 57.605 58.200 -0.156 0.000 0.978 428 S CB 1.140 64.235 63.200 -0.175 0.000 1.041 428 S HN 0.573 nan 8.310 nan 0.000 0.485 429 D N 2.087 122.406 120.400 -0.134 0.000 2.277 429 D HA 0.067 4.694 4.640 -0.021 0.000 0.208 429 D C 0.379 176.620 176.300 -0.099 0.000 0.962 429 D CA 0.715 54.656 54.000 -0.098 0.000 0.865 429 D CB 0.145 40.927 40.800 -0.030 0.000 0.939 429 D HN 0.512 nan 8.370 nan 0.000 0.510 430 S N 0.436 116.063 115.700 -0.122 0.000 2.537 430 S HA 0.364 4.822 4.470 -0.021 0.000 0.275 430 S C 0.052 174.536 174.600 -0.192 0.000 1.272 430 S CA -0.637 57.526 58.200 -0.062 0.000 1.050 430 S CB 0.790 63.968 63.200 -0.037 0.000 0.961 430 S HN -0.080 nan 8.310 nan 0.000 0.496 431 F N 0.895 120.828 119.950 -0.028 0.000 2.411 431 F HA 0.611 5.109 4.527 -0.048 0.000 0.324 431 F C 0.825 176.604 175.800 -0.036 0.000 1.086 431 F CA -1.006 56.979 58.000 -0.025 0.000 1.028 431 F CB 0.698 39.683 39.000 -0.025 0.000 1.284 431 F HN 0.632 nan 8.300 nan 0.000 0.501 432 A N 0.898 123.813 122.820 0.159 0.000 2.362 432 A HA 0.324 4.632 4.320 -0.021 0.000 0.276 432 A C 0.601 178.221 177.584 0.060 0.000 1.153 432 A CA -0.292 51.787 52.037 0.070 0.000 0.813 432 A CB 0.142 19.162 19.000 0.033 0.000 1.081 432 A HN 0.942 nan 8.150 nan 0.000 0.507 433 E N 1.657 121.864 120.200 0.011 0.000 2.276 433 E HA -0.006 4.332 4.350 -0.021 0.000 0.193 433 E C 0.124 176.706 176.600 -0.030 0.000 0.983 433 E CA 0.177 56.556 56.400 -0.036 0.000 0.861 433 E CB 0.104 29.762 29.700 -0.070 0.000 0.817 433 E HN 0.676 nan 8.360 nan 0.000 0.485 434 K N 2.331 122.719 120.400 -0.020 0.000 2.524 434 K HA -0.023 4.284 4.320 -0.021 0.000 0.279 434 K C -0.026 176.552 176.600 -0.037 0.000 0.993 434 K CA 0.171 56.445 56.287 -0.022 0.000 1.030 434 K CB 0.508 32.991 32.500 -0.028 0.000 0.891 434 K HN 0.060 nan 8.250 nan 0.000 0.488 435 T N 0.655 115.191 114.554 -0.030 0.000 2.918 435 T HA 0.104 4.442 4.350 -0.021 0.000 0.302 435 T C 1.550 176.156 174.700 -0.156 0.000 1.045 435 T CA -0.624 61.443 62.100 -0.056 0.000 1.114 435 T CB 0.605 69.475 68.868 0.004 0.000 0.965 435 T HN 0.481 nan 8.240 nan 0.000 0.540 436 L N 0.638 121.665 121.223 -0.327 0.000 2.083 436 L HA 0.120 4.447 4.340 -0.021 0.000 0.209 436 L C 0.167 176.584 176.870 -0.754 0.000 1.083 436 L CA 1.259 55.677 54.840 -0.702 0.000 0.752 436 L CB -0.265 41.061 42.059 -1.221 0.000 0.899 436 L HN 0.627 nan 8.230 nan 0.000 0.433 437 F N -2.204 117.761 119.950 0.026 0.000 2.576 437 F HA 0.331 4.848 4.527 -0.017 0.000 0.313 437 F C 0.732 176.542 175.800 0.018 0.000 1.078 437 F CA -1.027 56.986 58.000 0.022 0.000 0.921 437 F CB 0.994 40.007 39.000 0.022 0.000 1.232 437 F HN -0.293 nan 8.300 nan 0.000 0.459 438 N N -0.285 118.535 118.700 0.201 0.000 2.388 438 N HA 0.017 4.744 4.740 -0.021 0.000 0.176 438 N C -0.624 174.942 175.510 0.093 0.000 1.062 438 N CA 0.398 53.516 53.050 0.113 0.000 0.895 438 N CB 0.177 38.709 38.487 0.076 0.000 1.018 438 N HN 0.529 nan 8.380 nan 0.000 0.456 439 D N 0.394 120.853 120.400 0.099 0.000 2.264 439 D HA 0.238 4.866 4.640 -0.021 0.000 0.250 439 D C 0.825 177.148 176.300 0.038 0.000 1.113 439 D CA -0.147 53.882 54.000 0.049 0.000 0.871 439 D CB 1.856 42.670 40.800 0.024 0.000 1.167 439 D HN 0.023 nan 8.370 nan 0.000 0.447 440 A N 2.964 125.795 122.820 0.018 0.000 1.933 440 A HA -0.246 4.061 4.320 -0.021 0.000 0.218 440 A C 1.983 179.548 177.584 -0.032 0.000 1.175 440 A CA 1.458 53.496 52.037 0.002 0.000 0.628 440 A CB -0.426 18.571 19.000 -0.005 0.000 0.814 440 A HN 0.634 nan 8.150 nan 0.000 0.444 441 Q N -0.636 119.141 119.800 -0.038 0.000 2.096 441 Q HA -0.172 4.156 4.340 -0.021 0.000 0.204 441 Q C 2.022 177.960 176.000 -0.103 0.000 0.982 441 Q CA 2.387 58.153 55.803 -0.062 0.000 0.850 441 Q CB -0.381 28.330 28.738 -0.045 0.000 0.901 441 Q HN 0.606 nan 8.270 nan 0.000 0.422 442 T N -0.056 114.430 114.554 -0.112 0.000 2.708 442 T HA -0.142 4.195 4.350 -0.021 0.000 0.266 442 T C 1.827 176.331 174.700 -0.326 0.000 1.037 442 T CA 1.449 63.418 62.100 -0.218 0.000 1.146 442 T CB -0.356 68.375 68.868 -0.228 0.000 0.865 442 T HN 0.132 nan 8.240 nan 0.000 0.435 443 V N 1.824 121.601 119.914 -0.228 0.000 2.252 443 V HA -0.162 3.946 4.120 -0.021 0.000 0.249 443 V C 2.571 178.547 176.094 -0.198 0.000 1.056 443 V CA 1.401 63.594 62.300 -0.178 0.000 1.022 443 V CB -0.719 31.086 31.823 -0.029 0.000 0.641 443 V HN 0.364 nan 8.190 nan 0.000 0.445 444 L N -0.430 120.699 121.223 -0.157 0.000 2.046 444 L HA -0.198 4.130 4.340 -0.021 0.000 0.208 444 L C 2.499 179.264 176.870 -0.175 0.000 1.077 444 L CA 2.093 56.844 54.840 -0.148 0.000 0.747 444 L CB -1.321 40.672 42.059 -0.109 0.000 0.896 444 L HN 0.512 nan 8.230 nan 0.000 0.432 445 Q N -1.142 118.532 119.800 -0.208 0.000 2.046 445 Q HA -0.205 4.123 4.340 -0.021 0.000 0.200 445 Q C 2.157 177.995 176.000 -0.270 0.000 0.975 445 Q CA 1.278 56.907 55.803 -0.289 0.000 0.836 445 Q CB 0.205 28.758 28.738 -0.309 0.000 0.896 445 Q HN 0.424 nan 8.270 nan 0.000 0.428 446 Q N 0.232 119.916 119.800 -0.193 0.000 2.084 446 Q HA -0.198 4.130 4.340 -0.021 0.000 0.202 446 Q C 1.973 178.004 176.000 0.051 0.000 0.978 446 Q CA 1.473 57.263 55.803 -0.023 0.000 0.844 446 Q CB -0.185 28.499 28.738 -0.089 0.000 0.898 446 Q HN 0.525 nan 8.270 nan 0.000 0.426 447 Q N 0.032 119.745 119.800 -0.145 0.000 2.030 447 Q HA -0.138 4.189 4.340 -0.021 0.000 0.204 447 Q C 2.083 178.115 176.000 0.054 0.000 0.986 447 Q CA 1.673 57.336 55.803 -0.234 0.000 0.843 447 Q CB -0.217 28.273 28.738 -0.414 0.000 0.904 447 Q HN 0.413 nan 8.270 nan 0.000 0.420 448 A N 0.766 123.579 122.820 -0.012 0.000 1.902 448 A HA -0.159 4.148 4.320 -0.021 0.000 0.217 448 A C 2.242 179.886 177.584 0.100 0.000 1.181 448 A CA 1.702 53.776 52.037 0.061 0.000 0.623 448 A CB -0.833 18.155 19.000 -0.020 0.000 0.818 448 A HN 0.440 nan 8.150 nan 0.000 0.443 449 A N -1.631 121.175 122.820 -0.024 0.000 1.930 449 A HA 0.055 4.362 4.320 -0.021 0.000 0.217 449 A C 1.697 179.281 177.584 0.000 0.000 1.175 449 A CA 1.219 53.237 52.037 -0.031 0.000 0.627 449 A CB -0.584 18.308 19.000 -0.179 0.000 0.815 449 A HN 0.492 nan 8.150 nan 0.000 0.443 450 F N -0.932 119.078 119.950 0.099 0.000 2.732 450 F HA 0.359 4.874 4.527 -0.019 0.000 0.303 450 F C 1.715 177.542 175.800 0.044 0.000 1.110 450 F CA 0.756 58.779 58.000 0.038 0.000 1.355 450 F CB 0.504 39.479 39.000 -0.042 0.000 1.081 450 F HN 0.375 nan 8.300 nan 0.000 0.565 451 G N -0.976 107.782 108.800 -0.070 0.000 2.159 451 G HA2 -0.293 3.654 3.960 -0.021 0.000 0.227 451 G HA3 -0.293 3.654 3.960 -0.021 0.000 0.227 451 G C -0.087 174.765 174.900 -0.079 0.000 0.986 451 G CA -0.729 43.956 45.100 -0.693 0.000 0.651 451 G HN 0.207 nan 8.290 nan 0.000 0.523 452 Y N 1.293 121.532 120.300 -0.102 0.000 2.526 452 Y HA 0.508 5.045 4.550 -0.021 0.000 0.330 452 Y C 1.286 177.180 175.900 -0.010 0.000 1.156 452 Y CA 1.036 58.953 58.100 -0.305 0.000 1.419 452 Y CB 0.999 39.185 38.460 -0.457 0.000 1.250 452 Y HN 0.067 nan 8.280 nan 0.000 0.540 453 T N 1.654 116.333 114.554 0.209 0.000 2.950 453 T HA 0.524 4.861 4.350 -0.021 0.000 0.288 453 T C 1.051 175.847 174.700 0.159 0.000 1.035 453 T CA -0.068 62.219 62.100 0.311 0.000 1.028 453 T CB 1.304 70.514 68.868 0.570 0.000 1.109 453 T HN 0.777 nan 8.240 nan 0.000 0.514 454 A N 1.529 124.416 122.820 0.111 0.000 1.917 454 A HA -0.110 4.198 4.320 -0.021 0.000 0.219 454 A C 1.879 179.495 177.584 0.053 0.000 1.182 454 A CA 2.020 54.083 52.037 0.043 0.000 0.633 454 A CB -0.678 18.320 19.000 -0.004 0.000 0.819 454 A HN 0.941 nan 8.150 nan 0.000 0.448 455 E N -0.220 120.043 120.200 0.104 0.000 2.204 455 E HA -0.143 4.195 4.350 -0.021 0.000 0.194 455 E C 1.294 177.956 176.600 0.103 0.000 0.989 455 E CA 0.835 57.295 56.400 0.101 0.000 0.824 455 E CB -0.147 29.646 29.700 0.154 0.000 0.756 455 E HN 0.588 nan 8.360 nan 0.000 0.477 456 D N 0.435 120.911 120.400 0.125 0.000 2.097 456 D HA -0.150 4.477 4.640 -0.021 0.000 0.195 456 D C 2.174 178.433 176.300 -0.068 0.000 0.989 456 D CA 1.421 55.455 54.000 0.057 0.000 0.827 456 D CB -0.122 40.615 40.800 -0.105 0.000 0.966 456 D HN 0.161 nan 8.370 nan 0.000 0.456 457 V N 0.486 120.354 119.914 -0.076 0.000 2.346 457 V HA -0.124 3.983 4.120 -0.021 0.000 0.244 457 V C 1.862 177.906 176.094 -0.083 0.000 1.037 457 V CA 1.535 63.780 62.300 -0.092 0.000 1.029 457 V CB -0.271 31.502 31.823 -0.084 0.000 0.663 457 V HN -0.005 nan 8.190 nan 0.000 0.454 458 E N -0.102 120.073 120.200 -0.041 0.000 2.106 458 E HA -0.067 4.270 4.350 -0.021 0.000 0.192 458 E C 2.096 178.670 176.600 -0.043 0.000 0.984 458 E CA 1.836 58.214 56.400 -0.037 0.000 0.806 458 E CB -0.145 29.553 29.700 -0.003 0.000 0.750 458 E HN 0.584 nan 8.360 nan 0.000 0.458 459 M N -0.612 118.975 119.600 -0.022 0.000 2.414 459 M HA 0.059 4.527 4.480 -0.021 0.000 0.251 459 M C 1.234 177.529 176.300 -0.007 0.000 1.116 459 M CA 0.216 55.501 55.300 -0.025 0.000 1.056 459 M CB 1.183 33.756 32.600 -0.044 0.000 1.388 459 M HN -0.011 nan 8.290 nan 0.000 0.487 460 V N -1.684 118.243 119.914 0.020 0.000 3.054 460 V HA 0.029 4.136 4.120 -0.021 0.000 0.227 460 V C 1.924 178.064 176.094 0.076 0.000 1.252 460 V CA 0.380 62.725 62.300 0.076 0.000 1.279 460 V CB 0.347 32.278 31.823 0.180 0.000 1.118 460 V HN 0.064 nan 8.190 nan 0.000 0.504 461 V N 0.399 120.343 119.914 0.051 0.000 2.307 461 V HA -0.187 3.921 4.120 -0.021 0.000 0.245 461 V C 2.436 178.449 176.094 -0.134 0.000 1.045 461 V CA 2.052 64.380 62.300 0.045 0.000 1.024 461 V CB -0.351 31.451 31.823 -0.035 0.000 0.651 461 V HN 0.371 nan 8.190 nan 0.000 0.449 462 V N 0.358 120.087 119.914 -0.308 0.000 2.261 462 V HA -0.153 3.954 4.120 -0.021 0.000 0.246 462 V C 0.156 175.984 176.094 -0.444 0.000 1.047 462 V CA 2.556 64.461 62.300 -0.657 0.000 1.015 462 V CB -1.880 29.518 31.823 -0.708 0.000 0.642 462 V HN 0.505 nan 8.190 nan 0.000 0.446 463 P HA -0.179 nan 4.420 nan 0.000 0.216 463 P C 1.959 179.225 177.300 -0.058 0.000 1.153 463 P CA 1.709 64.754 63.100 -0.091 0.000 0.858 463 P CB -0.133 31.550 31.700 -0.028 0.000 0.789 464 M N -1.138 118.448 119.600 -0.024 0.000 2.080 464 M HA -0.178 4.290 4.480 -0.021 0.000 0.260 464 M C 2.144 178.464 176.300 0.033 0.000 1.068 464 M CA 2.301 57.617 55.300 0.026 0.000 1.109 464 M CB -0.891 31.777 32.600 0.113 0.000 1.342 464 M HN -0.081 nan 8.290 nan 0.000 0.405 465 A N -0.343 122.469 122.820 -0.014 0.000 1.970 465 A HA -0.085 4.222 4.320 -0.021 0.000 0.216 465 A C 2.253 179.841 177.584 0.007 0.000 1.170 465 A CA 1.631 53.662 52.037 -0.010 0.000 0.645 465 A CB -0.634 18.307 19.000 -0.098 0.000 0.816 465 A HN 0.562 nan 8.150 nan 0.000 0.447 466 S N -1.047 114.595 115.700 -0.097 0.000 2.425 466 S HA -0.068 4.389 4.470 -0.021 0.000 0.225 466 S C 1.728 176.386 174.600 0.097 0.000 1.024 466 S CA 1.163 59.422 58.200 0.099 0.000 0.951 466 S CB -0.179 63.084 63.200 0.105 0.000 0.796 466 S HN 0.610 nan 8.310 nan 0.000 0.498 467 Q N 0.012 119.838 119.800 0.043 0.000 2.316 467 Q HA 0.386 4.714 4.340 -0.021 0.000 0.235 467 Q C 1.166 177.189 176.000 0.038 0.000 0.863 467 Q CA 0.315 56.147 55.803 0.048 0.000 0.939 467 Q CB 0.725 29.487 28.738 0.041 0.000 1.108 467 Q HN 0.708 nan 8.270 nan 0.000 0.522 468 G N 1.649 110.464 108.800 0.026 0.000 2.143 468 G HA2 -0.286 3.662 3.960 -0.021 0.000 0.248 468 G HA3 -0.286 3.662 3.960 -0.021 0.000 0.248 468 G C -0.242 174.658 174.900 -0.000 0.000 0.991 468 G CA 0.443 45.550 45.100 0.013 0.000 0.689 468 G HN 0.192 nan 8.290 nan 0.000 0.522 469 K N 0.414 120.816 120.400 0.002 0.000 2.464 469 K HA 0.449 4.756 4.320 -0.021 0.000 0.253 469 K C 0.183 176.783 176.600 -0.001 0.000 0.933 469 K CA -0.818 55.470 56.287 0.001 0.000 0.801 469 K CB 1.975 34.487 32.500 0.021 0.000 1.271 469 K HN 0.470 nan 8.250 nan 0.000 0.430 470 E N 3.034 123.229 120.200 -0.008 0.000 2.437 470 E HA 0.088 4.426 4.350 -0.021 0.000 0.263 470 E C -2.038 174.577 176.600 0.026 0.000 1.030 470 E CA -1.367 55.036 56.400 0.005 0.000 0.934 470 E CB -0.119 29.581 29.700 0.000 0.000 0.943 470 E HN 0.176 nan 8.360 nan 0.000 0.444 471 P HA 0.041 nan 4.420 nan 0.000 0.271 471 P C -0.691 176.642 177.300 0.055 0.000 1.218 471 P CA -0.320 62.808 63.100 0.046 0.000 0.780 471 P CB 0.990 32.710 31.700 0.033 0.000 0.901 472 T N 2.830 117.428 114.554 0.073 0.000 2.875 472 T HA 0.504 4.842 4.350 -0.021 0.000 0.284 472 T C -0.451 174.252 174.700 0.004 0.000 0.995 472 T CA 0.258 62.382 62.100 0.039 0.000 1.060 472 T CB 0.344 69.254 68.868 0.070 0.000 0.967 472 T HN 0.302 nan 8.240 nan 0.000 0.476 473 F N 0.979 120.714 119.950 -0.358 0.000 3.084 473 F HA 0.730 5.245 4.527 -0.021 0.000 0.336 473 F C -0.876 174.617 175.800 -0.513 0.000 1.230 473 F CA -1.280 56.403 58.000 -0.528 0.000 0.993 473 F CB 0.884 39.767 39.000 -0.194 0.000 1.496 473 F HN 0.821 nan 8.300 nan 0.000 0.522 474 C N 0.568 119.388 119.300 -0.801 0.000 3.332 474 C HA 0.813 5.260 4.460 -0.021 0.000 0.329 474 C C -0.732 174.041 174.990 -0.361 0.000 1.434 474 C CA -1.360 57.366 59.018 -0.487 0.000 1.314 474 C CB 1.045 28.559 27.740 -0.377 0.000 1.664 474 C HN 1.070 nan 8.230 nan 0.000 0.457 475 M N 0.257 119.753 119.600 -0.174 0.000 7.319 475 M HA 0.021 4.488 4.480 -0.021 0.000 0.157 475 M C 0.400 176.698 176.300 -0.004 0.000 0.480 475 M CA 1.614 56.870 55.300 -0.074 0.000 1.311 475 M CB -1.855 30.701 32.600 -0.074 0.000 0.421 475 M HN 1.702 nan 8.290 nan 0.000 0.190 476 G N 0.191 109.004 108.800 0.021 0.000 2.528 476 G HA2 0.407 4.355 3.960 -0.021 0.000 0.289 476 G HA3 0.407 4.355 3.960 -0.021 0.000 0.289 476 G C -0.587 174.343 174.900 0.051 0.000 1.192 476 G CA -0.151 44.961 45.100 0.021 0.000 0.921 476 G HN 0.780 nan 8.290 nan 0.000 0.512 477 D N -0.515 119.884 120.400 -0.003 0.000 2.398 477 D HA 0.098 4.725 4.640 -0.021 0.000 0.250 477 D C 0.506 176.801 176.300 -0.008 0.000 1.287 477 D CA -0.218 53.784 54.000 0.004 0.000 0.992 477 D CB 0.722 41.508 40.800 -0.024 0.000 1.071 477 D HN 0.220 nan 8.370 nan 0.000 0.514 478 D N 1.404 121.845 120.400 0.068 0.000 2.363 478 D HA -0.013 4.615 4.640 -0.021 0.000 0.226 478 D C 0.383 176.677 176.300 -0.011 0.000 1.020 478 D CA 0.465 54.512 54.000 0.079 0.000 0.892 478 D CB 0.316 41.278 40.800 0.270 0.000 0.900 478 D HN 0.473 nan 8.370 nan 0.000 0.531 479 T N -3.031 111.495 114.554 -0.047 0.000 2.950 479 T HA 0.627 4.965 4.350 -0.021 0.000 0.288 479 T C -2.729 172.006 174.700 0.059 0.000 1.035 479 T CA -2.146 59.914 62.100 -0.067 0.000 1.028 479 T CB 1.836 70.620 68.868 -0.140 0.000 1.109 479 T HN -0.313 nan 8.240 nan 0.000 0.514 480 P HA 0.180 nan 4.420 nan 0.000 0.267 480 P C 0.022 177.333 177.300 0.019 0.000 1.200 480 P CA -0.409 62.739 63.100 0.080 0.000 0.772 480 P CB 0.214 31.964 31.700 0.083 0.000 0.855 481 L N 1.492 122.714 121.223 -0.001 0.000 2.554 481 L HA -0.112 4.216 4.340 -0.021 0.000 0.293 481 L C 1.879 178.656 176.870 -0.154 0.000 1.252 481 L CA 0.046 54.838 54.840 -0.081 0.000 0.862 481 L CB -0.162 41.840 42.059 -0.095 0.000 1.113 481 L HN 0.503 nan 8.230 nan 0.000 0.510 482 A N 3.306 125.950 122.820 -0.294 0.000 1.917 482 A HA -0.165 4.142 4.320 -0.021 0.000 0.219 482 A C 2.092 179.466 177.584 -0.351 0.000 1.182 482 A CA 2.056 53.816 52.037 -0.462 0.000 0.633 482 A CB -0.553 17.879 19.000 -0.948 0.000 0.819 482 A HN 0.652 nan 8.150 nan 0.000 0.448 483 V N -0.270 119.500 119.914 -0.240 0.000 2.667 483 V HA -0.089 4.018 4.120 -0.021 0.000 0.252 483 V C 2.050 178.120 176.094 -0.040 0.000 1.065 483 V CA 1.767 64.091 62.300 0.039 0.000 1.083 483 V CB -0.321 31.578 31.823 0.126 0.000 0.692 483 V HN 0.571 nan 8.190 nan 0.000 0.468 484 L N -0.301 120.872 121.223 -0.084 0.000 2.446 484 L HA 0.158 4.485 4.340 -0.021 0.000 0.219 484 L C 1.465 178.244 176.870 -0.153 0.000 1.116 484 L CA 0.370 55.149 54.840 -0.102 0.000 0.844 484 L CB -0.248 41.774 42.059 -0.062 0.000 0.970 484 L HN 0.242 nan 8.230 nan 0.000 0.457 485 S N -0.914 114.720 115.700 -0.110 0.000 2.572 485 S HA 0.013 4.470 4.470 -0.021 0.000 0.279 485 S C 0.940 175.457 174.600 -0.138 0.000 1.341 485 S CA -0.226 57.940 58.200 -0.057 0.000 1.043 485 S CB 0.551 63.748 63.200 -0.005 0.000 0.887 485 S HN 0.297 nan 8.310 nan 0.000 0.516 486 H N 1.585 120.667 119.070 0.019 0.000 2.551 486 H HA 0.273 4.817 4.556 -0.021 0.000 0.266 486 H C 0.198 175.522 175.328 -0.007 0.000 0.964 486 H CA 0.332 56.385 56.048 0.008 0.000 1.180 486 H CB 0.321 30.092 29.762 0.015 0.000 1.408 486 H HN 0.268 nan 8.280 nan 0.000 0.563 487 K N 1.982 122.432 120.400 0.083 0.000 2.144 487 K HA 0.217 4.524 4.320 -0.021 0.000 0.270 487 K C -2.579 173.943 176.600 -0.130 0.000 1.005 487 K CA -2.416 53.831 56.287 -0.067 0.000 0.932 487 K CB 0.450 32.898 32.500 -0.087 0.000 1.021 487 K HN 0.042 nan 8.250 nan 0.000 0.462 488 P HA 0.213 nan 4.420 nan 0.000 0.281 488 P C -0.446 176.845 177.300 -0.014 0.000 1.252 488 P CA -0.227 62.691 63.100 -0.303 0.000 0.778 488 P CB 0.891 32.089 31.700 -0.837 0.000 0.895 489 R N 2.129 122.733 120.500 0.174 0.000 2.919 489 R HA 0.595 4.923 4.340 -0.021 0.000 0.260 489 R C 0.145 176.706 176.300 0.436 0.000 1.067 489 R CA -1.281 54.972 56.100 0.256 0.000 1.003 489 R CB 0.909 31.210 30.300 0.002 0.000 1.192 489 R HN 0.455 nan 8.270 nan 0.000 0.488 490 L N 1.334 122.757 121.223 0.334 0.000 2.399 490 L HA 0.162 4.490 4.340 -0.021 0.000 0.266 490 L C 1.803 178.862 176.870 0.315 0.000 1.114 490 L CA -0.642 54.368 54.840 0.283 0.000 0.804 490 L CB 0.384 42.568 42.059 0.208 0.000 1.146 490 L HN 0.347 nan 8.230 nan 0.000 0.451 491 L N 1.897 123.204 121.223 0.141 0.000 2.081 491 L HA -0.251 4.077 4.340 -0.021 0.000 0.212 491 L C 2.153 179.175 176.870 0.253 0.000 1.080 491 L CA 1.965 56.870 54.840 0.109 0.000 0.754 491 L CB -0.830 41.152 42.059 -0.129 0.000 0.893 491 L HN 0.500 nan 8.230 nan 0.000 0.433 492 Y N -0.309 120.068 120.300 0.128 0.000 2.193 492 Y HA -0.277 4.261 4.550 -0.020 0.000 0.285 492 Y C 2.252 178.369 175.900 0.361 0.000 1.166 492 Y CA 1.329 59.500 58.100 0.117 0.000 1.181 492 Y CB -0.500 37.928 38.460 -0.054 0.000 0.976 492 Y HN 0.280 nan 8.280 nan 0.000 0.520 493 D N -1.296 119.351 120.400 0.412 0.000 2.371 493 D HA -0.124 4.503 4.640 -0.021 0.000 0.221 493 D C 1.048 177.354 176.300 0.010 0.000 0.986 493 D CA 0.949 55.071 54.000 0.204 0.000 0.899 493 D CB -0.267 40.526 40.800 -0.011 0.000 0.902 493 D HN 0.464 nan 8.370 nan 0.000 0.530 494 Y N -0.797 119.557 120.300 0.090 0.000 2.511 494 Y HA 0.128 4.665 4.550 -0.021 0.000 0.279 494 Y C 0.405 176.156 175.900 -0.248 0.000 1.157 494 Y CA 0.016 58.033 58.100 -0.137 0.000 1.300 494 Y CB -0.034 38.243 38.460 -0.305 0.000 1.052 494 Y HN -0.197 nan 8.280 nan 0.000 0.529 495 F N 1.030 121.074 119.950 0.156 0.000 2.427 495 F HA 0.425 4.940 4.527 -0.020 0.000 0.346 495 F C 0.111 176.140 175.800 0.381 0.000 1.120 495 F CA -1.268 56.837 58.000 0.175 0.000 1.033 495 F CB 0.961 39.926 39.000 -0.059 0.000 1.126 495 F HN -0.380 nan 8.300 nan 0.000 0.462 496 K N 3.292 124.004 120.400 0.519 0.000 2.206 496 K HA 0.309 4.616 4.320 -0.021 0.000 0.264 496 K C -0.435 176.528 176.600 0.605 0.000 0.967 496 K CA -0.741 55.828 56.287 0.469 0.000 0.844 496 K CB 1.672 34.321 32.500 0.249 0.000 1.099 496 K HN 0.691 nan 8.250 nan 0.000 0.441 497 Q N 2.112 122.244 119.800 0.553 0.000 2.330 497 Q HA 0.049 4.376 4.340 -0.021 0.000 0.279 497 Q C 0.104 176.242 176.000 0.230 0.000 1.024 497 Q CA 0.561 56.528 55.803 0.273 0.000 0.900 497 Q CB 0.702 29.610 28.738 0.283 0.000 1.221 497 Q HN 0.156 nan 8.270 nan 0.000 0.396 498 R N 1.855 122.371 120.500 0.028 0.000 2.543 498 R HA 0.574 4.902 4.340 -0.021 0.000 0.268 498 R C -0.550 175.799 176.300 0.082 0.000 1.067 498 R CA -0.304 55.785 56.100 -0.018 0.000 1.142 498 R CB 0.679 30.902 30.300 -0.129 0.000 1.110 498 R HN 0.545 nan 8.270 nan 0.000 0.549 499 F N -2.116 117.848 119.950 0.022 0.000 2.686 499 F HA 0.667 5.181 4.527 -0.021 0.000 0.311 499 F C -1.225 174.596 175.800 0.035 0.000 1.128 499 F CA -1.561 56.459 58.000 0.032 0.000 0.946 499 F CB 0.979 40.007 39.000 0.046 0.000 1.336 499 F HN 0.496 nan 8.300 nan 0.000 0.457 500 A N 1.858 124.819 122.820 0.235 0.000 2.331 500 A HA 0.694 5.001 4.320 -0.021 0.000 0.283 500 A C -0.900 176.823 177.584 0.232 0.000 1.142 500 A CA -0.419 51.700 52.037 0.137 0.000 0.812 500 A CB 0.464 19.532 19.000 0.114 0.000 1.074 500 A HN 0.864 nan 8.150 nan 0.000 0.497 501 Q N 1.730 121.612 119.800 0.136 0.000 2.280 501 Q HA 0.544 4.871 4.340 -0.021 0.000 0.259 501 Q C -0.232 175.809 176.000 0.068 0.000 0.964 501 Q CA -0.597 55.295 55.803 0.148 0.000 0.844 501 Q CB 1.224 30.100 28.738 0.230 0.000 1.334 501 Q HN 0.973 nan 8.270 nan 0.000 0.423 502 V N 0.259 120.203 119.914 0.050 0.000 0.550 502 V HA -0.465 3.643 4.120 -0.021 0.000 0.092 502 V C 1.983 178.075 176.094 -0.003 0.000 2.065 502 V CA 2.936 65.239 62.300 0.005 0.000 3.496 502 V CB -2.402 29.412 31.823 -0.015 0.000 0.788 502 V HN 1.038 nan 8.190 nan 0.000 0.820 503 T N -0.089 114.462 114.554 -0.005 0.000 2.915 503 T HA 0.037 4.375 4.350 -0.021 0.000 0.269 503 T C 0.541 175.251 174.700 0.015 0.000 1.071 503 T CA 1.544 63.635 62.100 -0.015 0.000 1.132 503 T CB -0.338 68.523 68.868 -0.013 0.000 0.878 503 T HN 1.182 nan 8.240 nan 0.000 0.479 504 N N 0.793 119.516 118.700 0.038 0.000 2.396 504 N HA 0.388 5.115 4.740 -0.021 0.000 0.275 504 N C -3.799 171.757 175.510 0.077 0.000 1.218 504 N CA -1.919 51.166 53.050 0.058 0.000 0.812 504 N CB 2.223 40.740 38.487 0.050 0.000 1.592 504 N HN -0.003 nan 8.380 nan 0.000 0.480 505 P HA 0.458 nan 4.420 nan 0.000 0.287 505 P C -2.786 174.549 177.300 0.059 0.000 1.270 505 P CA -1.386 61.773 63.100 0.098 0.000 0.844 505 P CB 1.166 32.961 31.700 0.158 0.000 1.068 506 P HA 0.211 nan 4.420 nan 0.000 0.272 506 P C -0.119 177.196 177.300 0.024 0.000 1.240 506 P CA -0.024 63.111 63.100 0.058 0.000 0.791 506 P CB 0.594 32.335 31.700 0.068 0.000 0.978 507 I N -2.983 117.604 120.570 0.029 0.000 3.023 507 I HA 0.551 4.708 4.170 -0.021 0.000 0.312 507 I C -0.336 175.805 176.117 0.041 0.000 1.056 507 I CA -1.072 60.243 61.300 0.025 0.000 1.033 507 I CB 1.861 39.868 38.000 0.012 0.000 1.233 507 I HN 0.024 nan 8.210 nan 0.000 0.462 508 D N 4.529 124.963 120.400 0.058 0.000 2.347 508 D HA 0.279 4.906 4.640 -0.021 0.000 0.235 508 D C -1.753 174.556 176.300 0.015 0.000 1.149 508 D CA -2.121 51.922 54.000 0.073 0.000 0.850 508 D CB 1.717 42.614 40.800 0.163 0.000 1.061 508 D HN 0.379 nan 8.370 nan 0.000 0.487 509 P HA -0.027 nan 4.420 nan 0.000 0.233 509 P C 1.310 178.537 177.300 -0.121 0.000 1.167 509 P CA 0.457 63.527 63.100 -0.050 0.000 0.770 509 P CB 0.741 32.458 31.700 0.029 0.000 0.837 510 L N -1.152 120.039 121.223 -0.053 0.000 2.276 510 L HA 0.188 4.516 4.340 -0.021 0.000 0.194 510 L C 2.725 179.550 176.870 -0.074 0.000 1.099 510 L CA 0.469 55.272 54.840 -0.061 0.000 0.800 510 L CB -0.738 41.321 42.059 -0.001 0.000 0.994 510 L HN -0.229 nan 8.230 nan 0.000 0.475 511 R N 0.635 121.112 120.500 -0.038 0.000 2.115 511 R HA -0.078 4.249 4.340 -0.021 0.000 0.230 511 R C 0.989 177.236 176.300 -0.088 0.000 1.111 511 R CA 1.052 57.100 56.100 -0.086 0.000 0.976 511 R CB -0.055 30.156 30.300 -0.149 0.000 0.870 511 R HN 0.350 nan 8.270 nan 0.000 0.445 512 E N -0.965 119.192 120.200 -0.073 0.000 2.736 512 E HA 0.082 4.420 4.350 -0.021 0.000 0.208 512 E C 0.161 176.701 176.600 -0.099 0.000 0.996 512 E CA -0.208 56.156 56.400 -0.059 0.000 1.104 512 E CB 0.369 30.030 29.700 -0.065 0.000 1.111 512 E HN 0.224 nan 8.360 nan 0.000 0.455 513 N N 0.840 119.436 118.700 -0.172 0.000 2.272 513 N HA -0.162 4.566 4.740 -0.021 0.000 0.185 513 N C 1.643 177.003 175.510 -0.250 0.000 1.014 513 N CA 0.991 53.848 53.050 -0.321 0.000 0.870 513 N CB 0.113 38.341 38.487 -0.431 0.000 0.975 513 N HN 0.150 nan 8.380 nan 0.000 0.433 514 L N -1.475 119.662 121.223 -0.144 0.000 2.353 514 L HA 0.031 4.358 4.340 -0.021 0.000 0.220 514 L C 1.693 178.514 176.870 -0.080 0.000 1.133 514 L CA 1.052 55.828 54.840 -0.106 0.000 0.798 514 L CB -1.405 40.610 42.059 -0.074 0.000 0.922 514 L HN 0.016 nan 8.230 nan 0.000 0.445 515 V N -0.685 119.194 119.914 -0.058 0.000 3.506 515 V HA 0.184 4.291 4.120 -0.021 0.000 0.263 515 V C 1.268 177.359 176.094 -0.006 0.000 1.203 515 V CA 0.422 62.710 62.300 -0.020 0.000 1.133 515 V CB -0.060 31.773 31.823 0.017 0.000 0.802 515 V HN 0.345 nan 8.190 nan 0.000 0.459 516 M N -0.623 118.961 119.600 -0.026 0.000 2.528 516 M HA 0.472 4.939 4.480 -0.021 0.000 0.318 516 M C -0.212 176.193 176.300 0.174 0.000 1.195 516 M CA 0.111 55.458 55.300 0.078 0.000 1.000 516 M CB 1.890 34.536 32.600 0.076 0.000 1.615 516 M HN 0.058 nan 8.290 nan 0.000 0.469 517 S N 0.635 116.502 115.700 0.278 0.000 2.535 517 S HA 0.483 4.941 4.470 -0.021 0.000 0.272 517 S C -0.775 173.890 174.600 0.109 0.000 1.149 517 S CA -0.579 57.754 58.200 0.222 0.000 0.888 517 S CB 1.211 64.473 63.200 0.103 0.000 1.110 517 S HN 0.607 nan 8.310 nan 0.000 0.463 518 L N 3.116 124.326 121.223 -0.022 0.000 2.667 518 L HA 0.527 4.855 4.340 -0.021 0.000 0.232 518 L C 1.349 178.138 176.870 -0.134 0.000 1.138 518 L CA 0.376 55.107 54.840 -0.181 0.000 0.921 518 L CB -0.667 41.154 42.059 -0.397 0.000 1.180 518 L HN 0.804 nan 8.230 nan 0.000 0.487 519 A N 0.277 123.041 122.820 -0.093 0.000 2.520 519 A HA 0.439 4.747 4.320 -0.021 0.000 0.235 519 A C 0.330 177.783 177.584 -0.219 0.000 1.065 519 A CA 0.476 52.404 52.037 -0.182 0.000 0.764 519 A CB 0.157 19.055 19.000 -0.170 0.000 1.002 519 A HN 0.165 nan 8.150 nan 0.000 0.502 520 M N 0.648 120.014 119.600 -0.389 0.000 2.631 520 M HA 0.554 5.022 4.480 -0.021 0.000 0.288 520 M C -1.644 174.320 176.300 -0.560 0.000 1.260 520 M CA -0.326 54.785 55.300 -0.316 0.000 0.842 520 M CB 1.729 34.205 32.600 -0.206 0.000 1.743 520 M HN 0.547 nan 8.290 nan 0.000 0.461 521 F N 1.965 121.853 119.950 -0.103 0.000 2.507 521 F HA 0.602 5.119 4.527 -0.018 0.000 0.328 521 F C -0.486 175.262 175.800 -0.087 0.000 1.136 521 F CA -0.530 57.417 58.000 -0.089 0.000 0.930 521 F CB 1.317 40.256 39.000 -0.102 0.000 1.166 521 F HN 0.276 nan 8.300 nan 0.000 0.436 522 L N 3.289 124.554 121.223 0.070 0.000 2.309 522 L HA 0.933 5.261 4.340 -0.021 0.000 0.282 522 L C 0.513 177.410 176.870 0.044 0.000 1.036 522 L CA -0.414 54.449 54.840 0.037 0.000 0.806 522 L CB 1.338 43.400 42.059 0.006 0.000 1.220 522 L HN 0.875 nan 8.230 nan 0.000 0.429 523 G N 2.129 110.949 108.800 0.034 0.000 2.343 523 G HA2 -0.075 3.873 3.960 -0.021 0.000 0.562 523 G HA3 -0.075 3.873 3.960 -0.021 0.000 0.562 523 G C -1.211 173.695 174.900 0.010 0.000 1.269 523 G CA -0.676 44.436 45.100 0.020 0.000 1.011 523 G HN 0.788 nan 8.290 nan 0.000 0.498 524 K N 0.268 120.665 120.400 -0.005 0.000 2.382 524 K HA 0.499 4.806 4.320 -0.021 0.000 0.275 524 K C 0.070 176.640 176.600 -0.050 0.000 1.009 524 K CA -0.190 56.087 56.287 -0.015 0.000 0.970 524 K CB 0.817 33.307 32.500 -0.018 0.000 0.934 524 K HN 0.531 nan 8.250 nan 0.000 0.479 525 R N 2.348 122.817 120.500 -0.052 0.000 2.221 525 R HA 0.160 4.487 4.340 -0.021 0.000 0.327 525 R C 0.308 176.550 176.300 -0.097 0.000 1.033 525 R CA -0.263 55.778 56.100 -0.099 0.000 0.887 525 R CB 1.476 31.722 30.300 -0.090 0.000 1.057 525 R HN 0.940 nan 8.270 nan 0.000 0.455 526 G N 1.699 110.412 108.800 -0.146 0.000 2.651 526 G HA2 -0.100 3.848 3.960 -0.021 0.000 0.260 526 G HA3 -0.100 3.848 3.960 -0.021 0.000 0.260 526 G C 0.067 174.908 174.900 -0.097 0.000 1.216 526 G CA -0.510 44.509 45.100 -0.135 0.000 0.913 526 G HN 0.513 nan 8.290 nan 0.000 0.535 527 N N 0.075 118.728 118.700 -0.078 0.000 2.423 527 N HA -0.043 4.684 4.740 -0.021 0.000 0.275 527 N C 1.409 176.906 175.510 -0.022 0.000 1.283 527 N CA -0.308 52.714 53.050 -0.046 0.000 0.932 527 N CB 0.850 39.310 38.487 -0.045 0.000 1.185 527 N HN 0.348 nan 8.380 nan 0.000 0.483 528 L N 5.207 126.426 121.223 -0.006 0.000 2.131 528 L HA -0.045 4.283 4.340 -0.021 0.000 0.210 528 L C 1.726 178.630 176.870 0.057 0.000 1.092 528 L CA 1.561 56.424 54.840 0.038 0.000 0.759 528 L CB 0.008 42.081 42.059 0.023 0.000 0.903 528 L HN 0.645 nan 8.230 nan 0.000 0.435 529 L N -1.500 119.729 121.223 0.010 0.000 2.249 529 L HA 0.098 4.425 4.340 -0.021 0.000 0.207 529 L C 0.545 177.430 176.870 0.026 0.000 1.090 529 L CA 0.326 55.162 54.840 -0.007 0.000 0.802 529 L CB -0.111 41.907 42.059 -0.068 0.000 0.947 529 L HN 0.112 nan 8.230 nan 0.000 0.453 530 E N 0.784 120.995 120.200 0.020 0.000 2.255 530 E HA 0.292 4.630 4.350 -0.021 0.000 0.245 530 E C -2.365 174.216 176.600 -0.033 0.000 0.909 530 E CA -1.909 54.497 56.400 0.010 0.000 0.747 530 E CB 1.690 31.389 29.700 -0.003 0.000 1.215 530 E HN -0.047 nan 8.360 nan 0.000 0.424 531 P HA 0.077 nan 4.420 nan 0.000 0.267 531 P C -0.772 176.347 177.300 -0.300 0.000 1.205 531 P CA 0.263 63.290 63.100 -0.122 0.000 0.765 531 P CB 0.665 32.159 31.700 -0.344 0.000 0.828 532 K N 1.544 121.689 120.400 -0.424 0.000 2.527 532 K HA 0.544 4.852 4.320 -0.021 0.000 0.260 532 K C 0.730 176.587 176.600 -1.239 0.000 0.937 532 K CA -0.797 54.998 56.287 -0.820 0.000 0.826 532 K CB 2.007 34.265 32.500 -0.405 0.000 1.359 532 K HN 0.159 nan 8.250 nan 0.000 0.434 533 A N 1.548 123.296 122.820 -1.787 0.000 1.948 533 A HA -0.212 4.096 4.320 -0.021 0.000 0.220 533 A C 1.731 179.006 177.584 -0.514 0.000 1.177 533 A CA 1.800 52.999 52.037 -1.396 0.000 0.636 533 A CB -0.433 17.868 19.000 -1.165 0.000 0.815 533 A HN 0.907 nan 8.150 nan 0.000 0.449 534 E N -0.051 119.905 120.200 -0.406 0.000 2.171 534 E HA -0.151 4.187 4.350 -0.021 0.000 0.197 534 E C 2.017 178.515 176.600 -0.170 0.000 0.997 534 E CA 1.340 57.605 56.400 -0.224 0.000 0.810 534 E CB -0.106 29.481 29.700 -0.188 0.000 0.738 534 E HN 0.671 nan 8.360 nan 0.000 0.467 535 S N 0.093 115.683 115.700 -0.184 0.000 2.481 535 S HA -0.004 4.453 4.470 -0.021 0.000 0.231 535 S C 1.768 176.250 174.600 -0.198 0.000 0.996 535 S CA 0.581 58.673 58.200 -0.179 0.000 0.942 535 S CB 0.324 63.405 63.200 -0.198 0.000 0.768 535 S HN 0.311 nan 8.310 nan 0.000 0.520 536 A N 1.256 124.035 122.820 -0.070 0.000 2.208 536 A HA 0.148 4.456 4.320 -0.021 0.000 0.209 536 A C 1.167 178.746 177.584 -0.008 0.000 1.161 536 A CA -0.027 52.007 52.037 -0.006 0.000 0.782 536 A CB -0.201 18.934 19.000 0.224 0.000 0.816 536 A HN 0.303 nan 8.150 nan 0.000 0.477 537 R N 0.932 121.408 120.500 -0.040 0.000 2.345 537 R HA 0.321 4.648 4.340 -0.021 0.000 0.331 537 R C -0.608 175.683 176.300 -0.014 0.000 1.067 537 R CA 0.682 56.769 56.100 -0.022 0.000 0.962 537 R CB -0.098 30.178 30.300 -0.040 0.000 0.987 537 R HN 0.288 nan 8.270 nan 0.000 0.451 538 T N 3.213 117.781 114.554 0.022 0.000 2.786 538 T HA 0.355 4.693 4.350 -0.021 0.000 0.316 538 T C -1.225 173.512 174.700 0.061 0.000 1.503 538 T CA -0.644 61.486 62.100 0.051 0.000 1.019 538 T CB 0.914 69.841 68.868 0.098 0.000 1.415 538 T HN 0.403 nan 8.240 nan 0.000 0.496 539 I N 3.116 123.716 120.570 0.051 0.000 2.328 539 I HA 0.420 4.577 4.170 -0.021 0.000 0.287 539 I C 0.137 176.237 176.117 -0.029 0.000 1.012 539 I CA -0.697 60.611 61.300 0.012 0.000 1.195 539 I CB 1.342 39.336 38.000 -0.009 0.000 1.350 539 I HN 0.420 nan 8.210 nan 0.000 0.464 540 K N 6.502 126.858 120.400 -0.073 0.000 2.234 540 K HA 0.468 4.776 4.320 -0.021 0.000 0.282 540 K C -1.209 175.233 176.600 -0.262 0.000 1.039 540 K CA -0.571 55.536 56.287 -0.299 0.000 0.928 540 K CB 0.852 33.193 32.500 -0.265 0.000 1.039 540 K HN 0.332 nan 8.250 nan 0.000 0.470 541 L N 4.643 125.662 121.223 -0.341 0.000 2.331 541 L HA 0.394 4.722 4.340 -0.021 0.000 0.275 541 L C 1.274 177.991 176.870 -0.254 0.000 1.022 541 L CA -0.248 54.450 54.840 -0.236 0.000 0.812 541 L CB 1.589 43.532 42.059 -0.193 0.000 1.257 541 L HN 0.744 nan 8.230 nan 0.000 0.435 542 R N 0.388 120.784 120.500 -0.173 0.000 2.297 542 R HA 0.250 4.577 4.340 -0.021 0.000 0.197 542 R C 0.113 176.331 176.300 -0.138 0.000 0.943 542 R CA 0.216 56.230 56.100 -0.143 0.000 1.038 542 R CB 0.395 30.636 30.300 -0.097 0.000 0.957 542 R HN 0.441 nan 8.270 nan 0.000 0.484 543 S N 0.011 115.622 115.700 -0.148 0.000 2.556 543 S HA 0.276 4.734 4.470 -0.021 0.000 0.280 543 S C -2.466 172.057 174.600 -0.127 0.000 1.141 543 S CA -1.290 56.819 58.200 -0.150 0.000 0.883 543 S CB 2.162 65.280 63.200 -0.136 0.000 1.103 543 S HN -0.017 nan 8.310 nan 0.000 0.453 544 P HA 0.089 nan 4.420 nan 0.000 0.229 544 P C 0.527 177.838 177.300 0.018 0.000 1.160 544 P CA 0.243 63.310 63.100 -0.054 0.000 0.777 544 P CB 0.047 31.726 31.700 -0.034 0.000 0.814 545 L N 2.174 123.386 121.223 -0.019 0.000 2.342 545 L HA 0.170 4.497 4.340 -0.021 0.000 0.285 545 L C -0.001 176.898 176.870 0.049 0.000 1.095 545 L CA -0.693 54.185 54.840 0.063 0.000 0.843 545 L CB 0.579 42.613 42.059 -0.042 0.000 1.201 545 L HN -0.217 nan 8.230 nan 0.000 0.445 546 V N 2.678 122.643 119.914 0.085 0.000 2.370 546 V HA 0.459 4.566 4.120 -0.021 0.000 0.279 546 V C 0.015 176.151 176.094 0.071 0.000 1.029 546 V CA -0.891 61.430 62.300 0.035 0.000 0.870 546 V CB 1.135 32.969 31.823 0.017 0.000 0.984 546 V HN 0.862 nan 8.190 nan 0.000 0.451 547 N N 3.887 122.591 118.700 0.007 0.000 2.322 547 N HA 0.175 4.902 4.740 -0.021 0.000 0.270 547 N C 0.769 176.291 175.510 0.020 0.000 1.286 547 N CA -0.158 52.916 53.050 0.039 0.000 0.948 547 N CB 0.222 38.641 38.487 -0.112 0.000 1.164 547 N HN 0.615 nan 8.380 nan 0.000 0.551 548 E N -0.609 119.617 120.200 0.043 0.000 2.110 548 E HA -0.097 4.241 4.350 -0.021 0.000 0.193 548 E C 1.794 178.380 176.600 -0.022 0.000 0.988 548 E CA 0.968 57.378 56.400 0.016 0.000 0.804 548 E CB -0.464 29.247 29.700 0.019 0.000 0.745 548 E HN 0.455 nan 8.360 nan 0.000 0.458 549 V N 1.455 121.339 119.914 -0.050 0.000 2.358 549 V HA -0.226 3.882 4.120 -0.021 0.000 0.246 549 V C 2.156 178.209 176.094 -0.068 0.000 1.047 549 V CA 1.811 64.072 62.300 -0.065 0.000 1.035 549 V CB -0.493 31.274 31.823 -0.092 0.000 0.658 549 V HN 0.217 nan 8.190 nan 0.000 0.452 550 E N 0.017 120.165 120.200 -0.086 0.000 2.051 550 E HA -0.237 4.101 4.350 -0.021 0.000 0.192 550 E C 2.131 178.705 176.600 -0.043 0.000 0.991 550 E CA 1.346 57.701 56.400 -0.074 0.000 0.799 550 E CB -0.273 29.372 29.700 -0.092 0.000 0.748 550 E HN 0.417 nan 8.360 nan 0.000 0.449 551 L N 1.288 122.496 121.223 -0.026 0.000 2.012 551 L HA -0.268 4.060 4.340 -0.021 0.000 0.210 551 L C 2.438 179.298 176.870 -0.016 0.000 1.073 551 L CA 1.897 56.731 54.840 -0.010 0.000 0.748 551 L CB -0.371 41.693 42.059 0.008 0.000 0.891 551 L HN 0.036 nan 8.230 nan 0.000 0.431 552 Q N -0.313 119.473 119.800 -0.023 0.000 2.084 552 Q HA -0.130 4.197 4.340 -0.021 0.000 0.202 552 Q C 2.139 178.125 176.000 -0.024 0.000 0.978 552 Q CA 2.036 57.824 55.803 -0.024 0.000 0.844 552 Q CB -0.468 28.253 28.738 -0.028 0.000 0.898 552 Q HN 0.593 nan 8.270 nan 0.000 0.426 553 A N 0.215 123.018 122.820 -0.029 0.000 1.908 553 A HA -0.164 4.143 4.320 -0.021 0.000 0.218 553 A C 2.119 179.689 177.584 -0.023 0.000 1.181 553 A CA 1.613 53.633 52.037 -0.029 0.000 0.627 553 A CB -0.766 18.211 19.000 -0.038 0.000 0.818 553 A HN 0.491 nan 8.150 nan 0.000 0.445 554 I N -0.701 119.856 120.570 -0.023 0.000 2.179 554 I HA -0.265 3.892 4.170 -0.021 0.000 0.242 554 I C 2.420 178.532 176.117 -0.009 0.000 1.088 554 I CA 1.672 62.963 61.300 -0.016 0.000 1.357 554 I CB -0.293 37.698 38.000 -0.014 0.000 1.051 554 I HN 0.237 nan 8.210 nan 0.000 0.409 555 K N -0.049 120.346 120.400 -0.009 0.000 2.152 555 K HA -0.155 4.153 4.320 -0.021 0.000 0.206 555 K C 2.016 178.613 176.600 -0.006 0.000 1.048 555 K CA 1.654 57.938 56.287 -0.005 0.000 0.933 555 K CB -0.204 32.291 32.500 -0.008 0.000 0.721 555 K HN 0.269 nan 8.250 nan 0.000 0.447 556 T N 0.304 114.852 114.554 -0.009 0.000 3.035 556 T HA 0.041 4.378 4.350 -0.021 0.000 0.259 556 T C 1.054 175.749 174.700 -0.007 0.000 1.078 556 T CA 0.537 62.632 62.100 -0.009 0.000 1.132 556 T CB -0.011 68.850 68.868 -0.012 0.000 0.900 556 T HN 0.406 nan 8.240 nan 0.000 0.480 557 G N 1.263 110.058 108.800 -0.008 0.000 2.443 557 G HA2 -0.015 3.933 3.960 -0.021 0.000 0.286 557 G HA3 -0.015 3.933 3.960 -0.021 0.000 0.286 557 G C 0.824 175.721 174.900 -0.004 0.000 1.393 557 G CA 0.155 45.251 45.100 -0.007 0.000 1.080 557 G HN 0.528 nan 8.290 nan 0.000 0.566 558 Q N -1.453 118.346 119.800 -0.002 0.000 2.435 558 Q HA 0.141 4.468 4.340 -0.021 0.000 0.207 558 Q C 0.670 176.669 176.000 -0.001 0.000 0.956 558 Q CA 0.383 56.185 55.803 -0.001 0.000 0.917 558 Q CB -0.186 28.552 28.738 0.000 0.000 0.997 558 Q HN 0.335 nan 8.270 nan 0.000 0.497 559 L N 1.281 122.504 121.223 -0.000 0.000 2.375 559 L HA 0.317 4.645 4.340 -0.021 0.000 0.268 559 L C 0.209 177.081 176.870 0.003 0.000 1.058 559 L CA -0.984 53.857 54.840 0.001 0.000 0.803 559 L CB 1.391 43.452 42.059 0.004 0.000 1.212 559 L HN 0.117 nan 8.230 nan 0.000 0.451 560 Q N 1.371 121.174 119.800 0.004 0.000 2.323 560 Q HA 0.277 4.604 4.340 -0.021 0.000 0.257 560 Q C -1.100 174.906 176.000 0.010 0.000 1.022 560 Q CA -0.260 55.546 55.803 0.006 0.000 0.919 560 Q CB 1.348 30.089 28.738 0.005 0.000 1.220 560 Q HN 0.323 nan 8.270 nan 0.000 0.427 561 V N 2.055 121.975 119.914 0.009 0.000 2.483 561 V HA 0.713 4.820 4.120 -0.021 0.000 0.295 561 V C -0.260 175.843 176.094 0.015 0.000 1.035 561 V CA -0.628 61.679 62.300 0.013 0.000 0.896 561 V CB 1.575 33.403 31.823 0.010 0.000 0.986 561 V HN 0.792 nan 8.190 nan 0.000 0.447 562 A N 3.451 126.284 122.820 0.020 0.000 2.386 562 A HA 0.747 5.055 4.320 -0.021 0.000 0.311 562 A C -0.604 176.996 177.584 0.027 0.000 1.068 562 A CA -0.645 51.405 52.037 0.022 0.000 0.743 562 A CB 1.402 20.416 19.000 0.023 0.000 1.258 562 A HN 0.811 nan 8.150 nan 0.000 0.429 563 E N 1.135 121.350 120.200 0.025 0.000 2.197 563 E HA 0.560 4.898 4.350 -0.021 0.000 0.281 563 E C -1.449 175.174 176.600 0.038 0.000 0.995 563 E CA -0.377 56.041 56.400 0.030 0.000 0.808 563 E CB 1.239 30.953 29.700 0.023 0.000 1.093 563 E HN 0.395 nan 8.360 nan 0.000 0.394 564 V N 3.576 123.519 119.914 0.048 0.000 2.482 564 V HA 0.170 4.277 4.120 -0.021 0.000 0.295 564 V C -0.043 176.095 176.094 0.073 0.000 1.026 564 V CA -0.863 61.471 62.300 0.056 0.000 0.856 564 V CB 1.539 33.395 31.823 0.054 0.000 1.001 564 V HN 0.675 nan 8.190 nan 0.000 0.424 565 S N 2.970 118.717 115.700 0.079 0.000 2.549 565 S HA 0.225 4.683 4.470 -0.021 0.000 0.279 565 S C 1.141 175.821 174.600 0.134 0.000 1.321 565 S CA 0.376 58.640 58.200 0.107 0.000 1.054 565 S CB 1.003 64.265 63.200 0.104 0.000 0.899 565 S HN 1.053 nan 8.310 nan 0.000 0.497 566 T N 3.325 117.985 114.554 0.177 0.000 3.134 566 T HA 0.354 4.692 4.350 -0.021 0.000 0.260 566 T C 0.469 175.357 174.700 0.312 0.000 1.027 566 T CA -0.352 61.883 62.100 0.226 0.000 0.913 566 T CB -0.358 68.653 68.868 0.239 0.000 1.046 566 T HN 0.462 nan 8.240 nan 0.000 0.553 567 L N 2.211 123.598 121.223 0.273 0.000 2.421 567 L HA 0.634 4.962 4.340 -0.021 0.000 0.263 567 L C -0.305 176.741 176.870 0.293 0.000 1.122 567 L CA -1.472 53.525 54.840 0.262 0.000 0.804 567 L CB 0.938 43.111 42.059 0.190 0.000 1.150 567 L HN 0.470 nan 8.230 nan 0.000 0.457 568 Y N -1.707 118.645 120.300 0.087 0.000 2.609 568 Y HA 0.467 5.005 4.550 -0.021 0.000 0.336 568 Y C -1.220 174.692 175.900 0.020 0.000 1.129 568 Y CA -1.551 56.573 58.100 0.039 0.000 1.040 568 Y CB 0.846 39.314 38.460 0.013 0.000 1.310 568 Y HN 0.372 nan 8.280 nan 0.000 0.460 569 D N 2.189 122.658 120.400 0.115 0.000 2.341 569 D HA 0.271 4.899 4.640 -0.021 0.000 0.245 569 D C -0.454 175.848 176.300 0.002 0.000 1.106 569 D CA -0.001 54.004 54.000 0.009 0.000 0.905 569 D CB 1.792 42.612 40.800 0.034 0.000 1.202 569 D HN 0.626 nan 8.370 nan 0.000 0.426 570 L N 2.497 123.669 121.223 -0.085 0.000 2.389 570 L HA 0.125 4.453 4.340 -0.021 0.000 0.265 570 L C 0.942 177.792 176.870 -0.033 0.000 1.167 570 L CA -0.342 54.456 54.840 -0.071 0.000 1.045 570 L CB 0.023 41.984 42.059 -0.163 0.000 1.351 570 L HN 0.298 nan 8.230 nan 0.000 0.419 571 D N 0.067 120.469 120.400 0.004 0.000 2.389 571 D HA 0.052 4.679 4.640 -0.021 0.000 0.206 571 D C 1.191 177.490 176.300 -0.001 0.000 1.055 571 D CA 0.436 54.437 54.000 0.001 0.000 0.856 571 D CB 0.568 41.375 40.800 0.011 0.000 0.957 571 D HN 0.395 nan 8.370 nan 0.000 0.509 572 G N -0.412 108.389 108.800 0.001 0.000 2.248 572 G HA2 -0.189 3.758 3.960 -0.021 0.000 0.252 572 G HA3 -0.189 3.758 3.960 -0.021 0.000 0.252 572 G C 0.428 175.326 174.900 -0.003 0.000 1.085 572 G CA 0.232 45.330 45.100 -0.005 0.000 0.845 572 G HN 0.392 nan 8.290 nan 0.000 0.494 573 V N -1.150 118.766 119.914 0.003 0.000 3.339 573 V HA 0.167 4.275 4.120 -0.021 0.000 0.201 573 V C 1.071 177.159 176.094 -0.010 0.000 1.489 573 V CA 0.472 62.769 62.300 -0.006 0.000 1.228 573 V CB -0.023 31.797 31.823 -0.004 0.000 1.152 573 V HN 0.350 nan 8.190 nan 0.000 0.519 574 N N 2.503 121.211 118.700 0.013 0.000 2.458 574 N HA 0.322 5.050 4.740 -0.021 0.000 0.258 574 N C -0.076 175.426 175.510 -0.013 0.000 1.219 574 N CA 0.669 53.720 53.050 0.003 0.000 0.902 574 N CB 0.916 39.474 38.487 0.118 0.000 1.076 574 N HN 0.651 nan 8.380 nan 0.000 0.455 575 S N 0.401 116.014 115.700 -0.145 0.000 2.704 575 S HA 0.394 4.851 4.470 -0.021 0.000 0.296 575 S C 0.795 175.124 174.600 -0.452 0.000 1.138 575 S CA -0.862 57.238 58.200 -0.167 0.000 0.875 575 S CB 1.172 64.291 63.200 -0.134 0.000 1.151 575 S HN 0.313 nan 8.310 nan 0.000 0.500 576 L N 1.124 122.131 121.223 -0.361 0.000 2.079 576 L HA 0.030 4.357 4.340 -0.021 0.000 0.210 576 L C 2.422 179.050 176.870 -0.404 0.000 1.081 576 L CA 2.413 56.980 54.840 -0.455 0.000 0.752 576 L CB -1.071 40.873 42.059 -0.190 0.000 0.896 576 L HN 1.023 nan 8.230 nan 0.000 0.433 577 E N -0.366 119.649 120.200 -0.310 0.000 2.051 577 E HA -0.274 4.064 4.350 -0.021 0.000 0.192 577 E C 1.634 178.075 176.600 -0.266 0.000 0.991 577 E CA 1.641 57.861 56.400 -0.300 0.000 0.799 577 E CB -0.136 29.423 29.700 -0.236 0.000 0.748 577 E HN 0.832 nan 8.360 nan 0.000 0.449 578 D N -0.236 120.019 120.400 -0.241 0.000 2.289 578 D HA -0.008 4.620 4.640 -0.021 0.000 0.207 578 D C 1.771 177.946 176.300 -0.209 0.000 0.966 578 D CA 0.835 54.725 54.000 -0.183 0.000 0.868 578 D CB -0.108 40.611 40.800 -0.135 0.000 0.943 578 D HN 0.245 nan 8.370 nan 0.000 0.514 579 A N 0.542 123.152 122.820 -0.350 0.000 1.933 579 A HA -0.070 4.238 4.320 -0.021 0.000 0.218 579 A C 2.020 179.482 177.584 -0.202 0.000 1.175 579 A CA 0.764 52.594 52.037 -0.346 0.000 0.628 579 A CB -0.634 17.903 19.000 -0.772 0.000 0.814 579 A HN 0.244 nan 8.150 nan 0.000 0.444 580 L N -0.061 121.029 121.223 -0.221 0.000 2.027 580 L HA -0.101 4.227 4.340 -0.021 0.000 0.206 580 L C 2.633 179.474 176.870 -0.049 0.000 1.074 580 L CA 2.548 57.309 54.840 -0.132 0.000 0.745 580 L CB -1.603 40.303 42.059 -0.256 0.000 0.898 580 L HN 0.414 nan 8.230 nan 0.000 0.433 581 T N -0.172 114.348 114.554 -0.056 0.000 2.720 581 T HA -0.160 4.178 4.350 -0.021 0.000 0.268 581 T C 1.726 176.398 174.700 -0.048 0.000 1.037 581 T CA 1.458 63.546 62.100 -0.020 0.000 1.144 581 T CB -0.194 68.659 68.868 -0.026 0.000 0.864 581 T HN 0.304 nan 8.240 nan 0.000 0.444 582 N N 1.075 119.742 118.700 -0.056 0.000 2.171 582 N HA 0.058 4.785 4.740 -0.021 0.000 0.184 582 N C 1.884 177.378 175.510 -0.026 0.000 1.021 582 N CA 0.504 53.531 53.050 -0.038 0.000 0.854 582 N CB -0.536 37.930 38.487 -0.036 0.000 0.994 582 N HN 0.293 nan 8.380 nan 0.000 0.426 583 L N 0.852 122.059 121.223 -0.026 0.000 1.989 583 L HA -0.161 4.166 4.340 -0.021 0.000 0.211 583 L C 2.027 178.884 176.870 -0.022 0.000 1.071 583 L CA 1.364 56.201 54.840 -0.006 0.000 0.749 583 L CB -0.369 41.693 42.059 0.005 0.000 0.890 583 L HN -0.060 nan 8.230 nan 0.000 0.431 584 V N 0.149 120.023 119.914 -0.067 0.000 2.343 584 V HA -0.308 3.800 4.120 -0.021 0.000 0.247 584 V C 2.531 178.582 176.094 -0.072 0.000 1.051 584 V CA 1.955 64.181 62.300 -0.124 0.000 1.036 584 V CB -0.401 31.203 31.823 -0.366 0.000 0.654 584 V HN 0.455 nan 8.190 nan 0.000 0.451 585 K N -0.744 119.621 120.400 -0.057 0.000 2.097 585 K HA -0.131 4.177 4.320 -0.021 0.000 0.205 585 K C 2.186 178.779 176.600 -0.012 0.000 1.050 585 K CA 1.776 58.045 56.287 -0.029 0.000 0.938 585 K CB -0.363 32.123 32.500 -0.024 0.000 0.718 585 K HN 0.443 nan 8.250 nan 0.000 0.442 586 T N 0.912 115.462 114.554 -0.007 0.000 2.708 586 T HA -0.137 4.201 4.350 -0.021 0.000 0.266 586 T C 1.958 176.665 174.700 0.011 0.000 1.037 586 T CA 1.380 63.483 62.100 0.006 0.000 1.146 586 T CB -0.231 68.645 68.868 0.013 0.000 0.865 586 T HN 0.315 nan 8.240 nan 0.000 0.435 587 A N 0.990 123.816 122.820 0.011 0.000 1.902 587 A HA -0.027 4.280 4.320 -0.021 0.000 0.217 587 A C 2.283 179.879 177.584 0.019 0.000 1.181 587 A CA 1.255 53.306 52.037 0.022 0.000 0.623 587 A CB -0.791 18.226 19.000 0.027 0.000 0.818 587 A HN 0.512 nan 8.150 nan 0.000 0.443 588 I N -0.363 120.214 120.570 0.011 0.000 2.179 588 I HA -0.275 3.883 4.170 -0.021 0.000 0.242 588 I C 2.968 179.091 176.117 0.010 0.000 1.088 588 I CA 1.084 62.390 61.300 0.011 0.000 1.357 588 I CB -0.262 37.742 38.000 0.007 0.000 1.051 588 I HN 0.360 nan 8.210 nan 0.000 0.409 589 A N 0.050 122.875 122.820 0.008 0.000 1.902 589 A HA -0.197 4.110 4.320 -0.021 0.000 0.217 589 A C 2.368 179.958 177.584 0.011 0.000 1.181 589 A CA 2.363 54.405 52.037 0.008 0.000 0.623 589 A CB -1.074 17.929 19.000 0.006 0.000 0.818 589 A HN 0.377 nan 8.150 nan 0.000 0.443 590 T N -0.219 114.343 114.554 0.014 0.000 2.684 590 T HA -0.133 4.205 4.350 -0.021 0.000 0.267 590 T C 1.880 176.591 174.700 0.018 0.000 1.036 590 T CA 1.672 63.782 62.100 0.017 0.000 1.148 590 T CB -0.458 68.423 68.868 0.022 0.000 0.863 590 T HN 0.162 nan 8.240 nan 0.000 0.436 591 V N 1.630 121.556 119.914 0.020 0.000 2.343 591 V HA -0.222 3.886 4.120 -0.021 0.000 0.247 591 V C 2.587 178.690 176.094 0.015 0.000 1.051 591 V CA 1.671 63.984 62.300 0.021 0.000 1.036 591 V CB -0.713 31.125 31.823 0.026 0.000 0.654 591 V HN 0.541 nan 8.190 nan 0.000 0.451 592 Q N -0.025 119.782 119.800 0.012 0.000 2.170 592 Q HA -0.109 4.219 4.340 -0.021 0.000 0.203 592 Q C 2.243 178.247 176.000 0.007 0.000 0.976 592 Q CA 1.575 57.383 55.803 0.008 0.000 0.858 592 Q CB -0.375 28.366 28.738 0.006 0.000 0.907 592 Q HN 0.665 nan 8.270 nan 0.000 0.433 593 A N 0.007 122.831 122.820 0.008 0.000 2.209 593 A HA 0.201 4.508 4.320 -0.021 0.000 0.212 593 A C 1.475 179.063 177.584 0.006 0.000 1.158 593 A CA 1.019 53.060 52.037 0.007 0.000 0.742 593 A CB -0.230 18.774 19.000 0.008 0.000 0.790 593 A HN 0.491 nan 8.150 nan 0.000 0.472 594 G N -2.625 106.180 108.800 0.007 0.000 2.175 594 G HA2 0.190 4.137 3.960 -0.021 0.000 0.182 594 G HA3 0.190 4.137 3.960 -0.021 0.000 0.182 594 G C 0.323 175.228 174.900 0.009 0.000 1.003 594 G CA 0.004 45.108 45.100 0.006 0.000 0.666 594 G HN 1.478 nan 8.290 nan 0.000 0.506 595 A N 0.262 123.090 122.820 0.013 0.000 2.488 595 A HA 0.609 4.917 4.320 -0.021 0.000 0.249 595 A C 1.015 178.612 177.584 0.020 0.000 1.083 595 A CA 1.024 53.071 52.037 0.017 0.000 0.768 595 A CB 0.211 19.224 19.000 0.022 0.000 1.017 595 A HN 0.467 nan 8.150 nan 0.000 0.496 596 E N 1.481 121.693 120.200 0.019 0.000 2.473 596 E HA 0.223 4.560 4.350 -0.021 0.000 0.204 596 E C -0.562 176.057 176.600 0.031 0.000 0.994 596 E CA 0.421 56.834 56.400 0.022 0.000 0.945 596 E CB 0.408 30.115 29.700 0.013 0.000 0.990 596 E HN 0.712 nan 8.360 nan 0.000 0.493 597 I N 1.897 122.486 120.570 0.031 0.000 2.512 597 I HA 0.205 4.362 4.170 -0.021 0.000 0.287 597 I C -1.287 174.854 176.117 0.039 0.000 1.069 597 I CA -0.970 60.352 61.300 0.037 0.000 1.056 597 I CB 1.920 39.936 38.000 0.027 0.000 1.229 597 I HN -0.116 nan 8.210 nan 0.000 0.429 598 L N 7.359 128.612 121.223 0.051 0.000 2.265 598 L HA 0.411 4.739 4.340 -0.021 0.000 0.289 598 L C -0.187 176.717 176.870 0.056 0.000 1.033 598 L CA -0.455 54.417 54.840 0.053 0.000 0.814 598 L CB 1.658 43.755 42.059 0.063 0.000 1.203 598 L HN 0.252 nan 8.230 nan 0.000 0.423 599 V N 5.853 125.797 119.914 0.049 0.000 2.334 599 V HA 0.278 4.385 4.120 -0.021 0.000 0.267 599 V C 0.246 176.378 176.094 0.063 0.000 1.040 599 V CA -0.574 61.757 62.300 0.053 0.000 0.866 599 V CB 0.615 32.462 31.823 0.039 0.000 1.019 599 V HN 0.449 nan 8.190 nan 0.000 0.468 600 L N 5.254 126.522 121.223 0.076 0.000 2.283 600 L HA 0.472 4.799 4.340 -0.021 0.000 0.287 600 L C 0.324 177.255 176.870 0.103 0.000 1.073 600 L CA 0.275 55.169 54.840 0.089 0.000 0.822 600 L CB 0.314 42.429 42.059 0.094 0.000 1.186 600 L HN 0.546 nan 8.230 nan 0.000 0.436 601 T N 0.169 114.787 114.554 0.107 0.000 2.848 601 T HA 0.229 4.566 4.350 -0.021 0.000 0.285 601 T C 0.102 174.895 174.700 0.155 0.000 0.995 601 T CA -0.599 61.571 62.100 0.117 0.000 0.970 601 T CB 1.746 70.652 68.868 0.064 0.000 0.976 601 T HN 0.639 nan 8.240 nan 0.000 0.441 602 D N 1.026 121.545 120.400 0.199 0.000 2.336 602 D HA 0.019 4.646 4.640 -0.021 0.000 0.228 602 D C 0.972 177.416 176.300 0.241 0.000 1.120 602 D CA -0.396 53.758 54.000 0.258 0.000 0.839 602 D CB 0.223 41.215 40.800 0.320 0.000 0.932 602 D HN 0.459 nan 8.370 nan 0.000 0.509 603 R N 0.328 120.892 120.500 0.108 0.000 2.881 603 R HA 0.282 4.610 4.340 -0.021 0.000 0.331 603 R C -2.765 173.532 176.300 -0.005 0.000 1.207 603 R CA -1.343 54.759 56.100 0.004 0.000 1.265 603 R CB 0.048 30.163 30.300 -0.308 0.000 1.351 603 R HN -0.065 nan 8.270 nan 0.000 0.613 604 P HA -0.019 nan 4.420 nan 0.000 0.262 604 P C -0.568 176.747 177.300 0.025 0.000 1.182 604 P CA 0.382 63.506 63.100 0.041 0.000 0.761 604 P CB 0.387 32.128 31.700 0.068 0.000 0.795 605 N N 2.036 120.742 118.700 0.010 0.000 2.713 605 N HA -0.226 4.502 4.740 -0.021 0.000 0.251 605 N C 1.038 176.546 175.510 -0.003 0.000 1.117 605 N CA 1.687 54.740 53.050 0.006 0.000 0.770 605 N CB -2.095 36.403 38.487 0.018 0.000 1.137 605 N HN 0.886 nan 8.380 nan 0.000 0.566 606 G N -1.326 107.460 108.800 -0.024 0.000 2.155 606 G HA2 -0.168 3.780 3.960 -0.021 0.000 0.257 606 G HA3 -0.168 3.780 3.960 -0.021 0.000 0.257 606 G C 0.216 175.126 174.900 0.017 0.000 0.983 606 G CA 1.037 46.116 45.100 -0.035 0.000 0.676 606 G HN 1.258 nan 8.290 nan 0.000 0.528 607 A N -0.049 122.794 122.820 0.038 0.000 2.320 607 A HA 0.742 5.050 4.320 -0.021 0.000 0.287 607 A C 0.621 178.273 177.584 0.113 0.000 1.181 607 A CA -0.426 51.655 52.037 0.074 0.000 0.831 607 A CB 0.538 19.575 19.000 0.062 0.000 1.102 607 A HN 0.736 nan 8.150 nan 0.000 0.513 608 I N 1.886 122.546 120.570 0.150 0.000 2.779 608 I HA 0.029 4.186 4.170 -0.021 0.000 0.285 608 I C 0.383 176.614 176.117 0.190 0.000 1.134 608 I CA -0.410 61.010 61.300 0.200 0.000 1.398 608 I CB 0.936 39.039 38.000 0.172 0.000 1.404 608 I HN 0.716 nan 8.210 nan 0.000 0.587 609 L N 6.877 128.263 121.223 0.272 0.000 2.559 609 L HA 0.051 4.379 4.340 -0.021 0.000 0.274 609 L C 0.407 177.362 176.870 0.142 0.000 1.205 609 L CA 0.579 55.552 54.840 0.221 0.000 0.907 609 L CB 0.303 42.517 42.059 0.259 0.000 1.153 609 L HN 0.707 nan 8.230 nan 0.000 0.490 610 T N 0.567 115.120 114.554 -0.003 0.000 2.936 610 T HA 0.312 4.649 4.350 -0.021 0.000 0.282 610 T C 0.912 175.263 174.700 -0.581 0.000 1.003 610 T CA -0.081 61.926 62.100 -0.155 0.000 1.005 610 T CB 1.023 69.837 68.868 -0.090 0.000 1.097 610 T HN 0.751 nan 8.240 nan 0.000 0.532 611 E N 0.624 120.299 120.200 -0.875 0.000 2.333 611 E HA -0.171 4.167 4.350 -0.021 0.000 0.198 611 E C 0.835 177.235 176.600 -0.335 0.000 1.007 611 E CA 0.820 56.565 56.400 -1.092 0.000 0.845 611 E CB -0.321 29.005 29.700 -0.623 0.000 0.766 611 E HN 0.522 nan 8.360 nan 0.000 0.507 612 N N 0.776 119.340 118.700 -0.228 0.000 2.268 612 N HA 0.093 4.821 4.740 -0.021 0.000 0.204 612 N C -0.316 175.113 175.510 -0.135 0.000 1.124 612 N CA 0.260 53.230 53.050 -0.133 0.000 0.838 612 N CB 0.662 39.096 38.487 -0.088 0.000 0.994 612 N HN 0.335 nan 8.380 nan 0.000 0.489 613 Q N -0.773 118.938 119.800 -0.148 0.000 2.528 613 Q HA 0.543 4.871 4.340 -0.021 0.000 0.289 613 Q C -0.855 175.014 176.000 -0.219 0.000 1.091 613 Q CA -0.588 55.110 55.803 -0.175 0.000 0.797 613 Q CB 2.578 31.266 28.738 -0.084 0.000 1.466 613 Q HN -0.064 nan 8.270 nan 0.000 0.436 614 S N -0.242 115.183 115.700 -0.458 0.000 2.794 614 S HA 0.843 5.301 4.470 -0.021 0.000 0.299 614 S C -1.907 172.521 174.600 -0.285 0.000 1.179 614 S CA -0.629 57.336 58.200 -0.392 0.000 0.838 614 S CB 0.951 63.787 63.200 -0.607 0.000 1.206 614 S HN 0.479 nan 8.310 nan 0.000 0.523 615 F N 0.130 119.995 119.950 -0.141 0.000 2.588 615 F HA 0.754 5.270 4.527 -0.019 0.000 0.314 615 F C -1.047 174.906 175.800 0.256 0.000 1.069 615 F CA -1.241 56.832 58.000 0.122 0.000 0.931 615 F CB 0.651 39.784 39.000 0.221 0.000 1.260 615 F HN 0.350 nan 8.300 nan 0.000 0.465 616 I N 3.258 124.056 120.570 0.380 0.000 2.396 616 I HA 0.283 4.441 4.170 -0.021 0.000 0.289 616 I C -2.249 174.059 176.117 0.319 0.000 1.056 616 I CA -1.853 59.574 61.300 0.211 0.000 1.365 616 I CB 0.625 38.725 38.000 0.166 0.000 1.407 616 I HN 0.351 nan 8.210 nan 0.000 0.509 617 P HA -0.036 nan 4.420 nan 0.000 0.264 617 P C -1.815 175.572 177.300 0.145 0.000 1.183 617 P CA -0.770 62.489 63.100 0.266 0.000 0.763 617 P CB 0.067 31.794 31.700 0.045 0.000 0.807 618 P HA -0.160 nan 4.420 nan 0.000 0.218 618 P C 1.350 178.638 177.300 -0.020 0.000 1.149 618 P CA 0.915 64.053 63.100 0.063 0.000 0.817 618 P CB -0.006 31.724 31.700 0.049 0.000 0.785 619 L N -0.370 120.746 121.223 -0.177 0.000 2.046 619 L HA -0.111 4.217 4.340 -0.021 0.000 0.208 619 L C 2.375 179.263 176.870 0.030 0.000 1.077 619 L CA 1.616 56.344 54.840 -0.187 0.000 0.747 619 L CB -1.798 39.923 42.059 -0.563 0.000 0.896 619 L HN -0.139 nan 8.230 nan 0.000 0.432 620 L N -0.179 121.074 121.223 0.050 0.000 2.027 620 L HA -0.039 4.289 4.340 -0.021 0.000 0.206 620 L C 2.513 179.371 176.870 -0.021 0.000 1.074 620 L CA 2.078 56.941 54.840 0.038 0.000 0.745 620 L CB -1.201 40.880 42.059 0.036 0.000 0.898 620 L HN 0.279 nan 8.230 nan 0.000 0.433 621 A N -1.204 121.636 122.820 0.032 0.000 1.877 621 A HA -0.195 4.112 4.320 -0.021 0.000 0.216 621 A C 2.432 180.051 177.584 0.060 0.000 1.186 621 A CA 2.097 54.168 52.037 0.057 0.000 0.620 621 A CB -1.326 17.732 19.000 0.096 0.000 0.822 621 A HN 0.334 nan 8.150 nan 0.000 0.443 622 V N -0.078 119.874 119.914 0.064 0.000 2.358 622 V HA -0.095 4.012 4.120 -0.021 0.000 0.246 622 V C 2.513 178.671 176.094 0.106 0.000 1.047 622 V CA 2.461 64.815 62.300 0.089 0.000 1.035 622 V CB -0.929 30.950 31.823 0.093 0.000 0.658 622 V HN 0.567 nan 8.190 nan 0.000 0.452 623 G N -0.902 107.937 108.800 0.066 0.000 2.418 623 G HA2 -0.214 3.733 3.960 -0.021 0.000 0.217 623 G HA3 -0.214 3.733 3.960 -0.021 0.000 0.217 623 G C 1.774 176.722 174.900 0.081 0.000 1.158 623 G CA 1.048 46.188 45.100 0.067 0.000 0.771 623 G HN 0.714 nan 8.290 nan 0.000 0.545 624 A N 0.466 123.289 122.820 0.005 0.000 1.877 624 A HA 0.026 4.334 4.320 -0.021 0.000 0.216 624 A C 2.729 180.418 177.584 0.174 0.000 1.186 624 A CA 2.600 54.716 52.037 0.132 0.000 0.620 624 A CB -0.945 18.161 19.000 0.176 0.000 0.822 624 A HN 0.988 nan 8.150 nan 0.000 0.443 625 V N -1.194 118.785 119.914 0.109 0.000 2.453 625 V HA -0.222 3.886 4.120 -0.021 0.000 0.247 625 V C 2.299 178.458 176.094 0.109 0.000 1.048 625 V CA 2.819 65.178 62.300 0.098 0.000 1.049 625 V CB -1.175 30.692 31.823 0.073 0.000 0.672 625 V HN 0.736 nan 8.190 nan 0.000 0.457 626 H N 0.258 119.329 119.070 0.001 0.000 2.289 626 H HA -0.198 4.346 4.556 -0.020 0.000 0.296 626 H C 2.321 177.523 175.328 -0.210 0.000 1.091 626 H CA 2.717 58.700 56.048 -0.110 0.000 1.274 626 H CB -0.484 29.177 29.762 -0.169 0.000 1.364 626 H HN 0.611 nan 8.280 nan 0.000 0.490 627 H N -0.803 118.179 119.070 -0.147 0.000 2.395 627 H HA -0.072 4.472 4.556 -0.021 0.000 0.299 627 H C 2.218 177.344 175.328 -0.337 0.000 1.070 627 H CA 1.495 57.356 56.048 -0.313 0.000 1.356 627 H CB -0.117 29.494 29.762 -0.252 0.000 1.401 627 H HN 0.634 nan 8.280 nan 0.000 0.524 628 H N -0.217 118.780 119.070 -0.121 0.000 2.423 628 H HA -0.087 4.456 4.556 -0.021 0.000 0.297 628 H C 2.176 177.433 175.328 -0.119 0.000 1.075 628 H CA 0.350 56.308 56.048 -0.150 0.000 1.342 628 H CB 0.275 29.928 29.762 -0.181 0.000 1.395 628 H HN 0.143 nan 8.280 nan 0.000 0.530 629 L N 0.899 122.115 121.223 -0.013 0.000 2.046 629 L HA -0.137 4.190 4.340 -0.021 0.000 0.208 629 L C 2.506 179.317 176.870 -0.100 0.000 1.077 629 L CA 1.135 55.950 54.840 -0.041 0.000 0.747 629 L CB -0.984 41.062 42.059 -0.021 0.000 0.896 629 L HN 0.193 nan 8.230 nan 0.000 0.432 630 I N -0.840 119.608 120.570 -0.204 0.000 2.127 630 I HA -0.361 3.796 4.170 -0.021 0.000 0.241 630 I C 2.619 178.651 176.117 -0.141 0.000 1.075 630 I CA 1.254 62.426 61.300 -0.214 0.000 1.334 630 I CB -0.296 37.499 38.000 -0.342 0.000 1.040 630 I HN 0.230 nan 8.210 nan 0.000 0.405 631 R N 0.563 120.970 120.500 -0.154 0.000 2.117 631 R HA -0.156 4.171 4.340 -0.021 0.000 0.243 631 R C 2.114 178.365 176.300 -0.081 0.000 1.143 631 R CA 1.538 57.559 56.100 -0.133 0.000 0.968 631 R CB -0.476 29.704 30.300 -0.199 0.000 0.863 631 R HN 0.398 nan 8.270 nan 0.000 0.444 632 A N 0.012 122.796 122.820 -0.060 0.000 2.238 632 A HA 0.208 4.515 4.320 -0.021 0.000 0.208 632 A C 1.371 178.939 177.584 -0.028 0.000 1.177 632 A CA 0.688 52.706 52.037 -0.032 0.000 0.804 632 A CB -0.032 18.960 19.000 -0.013 0.000 0.823 632 A HN 0.451 nan 8.150 nan 0.000 0.482 633 G N -1.072 107.705 108.800 -0.038 0.000 2.160 633 G HA2 -0.237 3.711 3.960 -0.021 0.000 0.251 633 G HA3 -0.237 3.711 3.960 -0.021 0.000 0.251 633 G C 0.463 175.357 174.900 -0.010 0.000 1.008 633 G CA 0.559 45.644 45.100 -0.025 0.000 0.724 633 G HN 0.546 nan 8.290 nan 0.000 0.514 634 L N -1.223 119.994 121.223 -0.010 0.000 2.766 634 L HA 0.304 4.631 4.340 -0.021 0.000 0.242 634 L C 2.444 179.329 176.870 0.025 0.000 1.136 634 L CA -0.070 54.775 54.840 0.008 0.000 0.933 634 L CB 0.145 42.209 42.059 0.009 0.000 1.241 634 L HN 0.156 nan 8.230 nan 0.000 0.522 635 R N 0.997 121.508 120.500 0.018 0.000 2.096 635 R HA -0.112 4.215 4.340 -0.021 0.000 0.235 635 R C 1.586 177.976 176.300 0.149 0.000 1.127 635 R CA 1.613 57.750 56.100 0.061 0.000 0.968 635 R CB -0.292 29.999 30.300 -0.014 0.000 0.861 635 R HN 0.152 nan 8.270 nan 0.000 0.440 636 L N 0.643 121.939 121.223 0.121 0.000 2.599 636 L HA 0.086 4.414 4.340 -0.021 0.000 0.230 636 L C 1.188 178.093 176.870 0.058 0.000 1.141 636 L CA 1.123 56.028 54.840 0.109 0.000 0.877 636 L CB -0.187 41.923 42.059 0.086 0.000 1.009 636 L HN -0.018 nan 8.230 nan 0.000 0.447 637 K N -0.363 120.069 120.400 0.054 0.000 2.361 637 K HA 0.406 4.714 4.320 -0.021 0.000 0.196 637 K C 0.638 177.262 176.600 0.040 0.000 1.039 637 K CA 0.443 56.750 56.287 0.034 0.000 1.001 637 K CB 0.493 33.008 32.500 0.026 0.000 0.795 637 K HN 0.171 nan 8.250 nan 0.000 0.495 638 A N -0.086 122.772 122.820 0.064 0.000 2.609 638 A HA 0.649 4.957 4.320 -0.021 0.000 0.291 638 A C -0.896 176.751 177.584 0.105 0.000 1.096 638 A CA -0.565 51.513 52.037 0.069 0.000 0.684 638 A CB 1.238 20.275 19.000 0.061 0.000 1.282 638 A HN -0.017 nan 8.150 nan 0.000 0.412 639 S N -0.372 115.385 115.700 0.095 0.000 2.638 639 S HA 0.771 5.229 4.470 -0.021 0.000 0.298 639 S C -0.736 173.934 174.600 0.116 0.000 1.111 639 S CA -0.485 57.789 58.200 0.123 0.000 1.027 639 S CB 1.030 64.279 63.200 0.082 0.000 1.064 639 S HN 0.538 nan 8.310 nan 0.000 0.525 640 L N 2.207 123.515 121.223 0.142 0.000 2.333 640 L HA 0.615 4.942 4.340 -0.021 0.000 0.280 640 L C -0.919 176.008 176.870 0.096 0.000 1.004 640 L CA -0.447 54.466 54.840 0.123 0.000 0.820 640 L CB 1.021 43.173 42.059 0.155 0.000 1.247 640 L HN 0.464 nan 8.230 nan 0.000 0.416 641 I N 3.286 123.902 120.570 0.077 0.000 2.433 641 I HA 0.338 4.496 4.170 -0.021 0.000 0.292 641 I C -0.422 175.741 176.117 0.076 0.000 1.001 641 I CA -0.869 60.471 61.300 0.067 0.000 1.119 641 I CB 2.544 40.575 38.000 0.051 0.000 1.289 641 I HN 0.274 nan 8.210 nan 0.000 0.438 642 V N 5.623 125.584 119.914 0.078 0.000 2.333 642 V HA 0.315 4.423 4.120 -0.021 0.000 0.274 642 V C -0.820 175.328 176.094 0.091 0.000 1.028 642 V CA -0.083 62.265 62.300 0.079 0.000 0.851 642 V CB 1.331 33.192 31.823 0.062 0.000 1.000 642 V HN 0.731 nan 8.190 nan 0.000 0.456 643 D N 4.897 125.366 120.400 0.115 0.000 2.485 643 D HA 0.450 5.078 4.640 -0.021 0.000 0.229 643 D C -0.330 176.126 176.300 0.259 0.000 1.101 643 D CA 0.221 54.327 54.000 0.177 0.000 0.906 643 D CB 0.968 41.840 40.800 0.121 0.000 1.019 643 D HN 0.664 nan 8.370 nan 0.000 0.516 644 T N 1.349 116.010 114.554 0.177 0.000 2.909 644 T HA 0.590 4.927 4.350 -0.021 0.000 0.299 644 T C 0.815 175.168 174.700 -0.578 0.000 1.073 644 T CA -0.163 61.906 62.100 -0.052 0.000 0.999 644 T CB 1.458 70.289 68.868 -0.062 0.000 1.098 644 T HN 0.176 nan 8.240 nan 0.000 0.477 645 A N 2.583 124.801 122.820 -1.003 0.000 2.016 645 A HA 0.139 4.447 4.320 -0.021 0.000 0.217 645 A C 1.393 178.769 177.584 -0.347 0.000 1.162 645 A CA 0.770 52.147 52.037 -1.099 0.000 0.662 645 A CB -0.362 17.617 19.000 -1.701 0.000 0.812 645 A HN 0.746 nan 8.150 nan 0.000 0.450 646 Q N 0.021 119.658 119.800 -0.272 0.000 3.027 646 Q HA 0.386 4.713 4.340 -0.021 0.000 0.260 646 Q C -1.311 174.607 176.000 -0.137 0.000 1.379 646 Q CA -0.249 55.563 55.803 0.015 0.000 1.038 646 Q CB -0.253 28.567 28.738 0.137 0.000 1.578 646 Q HN 0.512 nan 8.270 nan 0.000 0.571 647 C N 3.370 122.588 119.300 -0.137 0.000 3.097 647 C HA 0.443 4.891 4.460 -0.021 0.000 0.422 647 C C -0.899 174.086 174.990 -0.009 0.000 0.999 647 C CA -0.599 58.197 59.018 -0.370 0.000 1.235 647 C CB -0.212 27.235 27.740 -0.488 0.000 1.615 647 C HN 1.046 nan 8.230 nan 0.000 0.553 648 W N 4.009 125.349 121.300 0.066 0.000 2.607 648 W HA 0.428 5.075 4.660 -0.023 0.000 0.189 648 W C 0.432 177.119 176.519 0.280 0.000 0.941 648 W CA 0.669 58.154 57.345 0.235 0.000 1.190 648 W CB -1.089 28.452 29.460 0.135 0.000 0.738 648 W HN 0.731 nan 8.180 nan 0.000 0.734 649 S N 0.327 115.789 115.700 -0.396 0.000 2.687 649 S HA 0.473 4.930 4.470 -0.021 0.000 0.283 649 S C 0.820 175.365 174.600 -0.092 0.000 1.170 649 S CA 0.417 58.438 58.200 -0.298 0.000 1.008 649 S CB 1.743 64.531 63.200 -0.687 0.000 1.026 649 S HN 0.069 nan 8.310 nan 0.000 0.541 650 T N 0.749 115.284 114.554 -0.032 0.000 2.635 650 T HA -0.230 4.107 4.350 -0.021 0.000 0.267 650 T C 1.554 176.280 174.700 0.043 0.000 1.040 650 T CA 2.104 64.211 62.100 0.012 0.000 1.156 650 T CB -0.948 67.912 68.868 -0.014 0.000 0.863 650 T HN 0.817 nan 8.240 nan 0.000 0.430 651 H N -0.269 118.699 119.070 -0.169 0.000 2.387 651 H HA -0.134 4.409 4.556 -0.021 0.000 0.299 651 H C 2.235 177.443 175.328 -0.200 0.000 1.099 651 H CA 1.704 57.642 56.048 -0.183 0.000 1.315 651 H CB 0.011 29.461 29.762 -0.521 0.000 1.380 651 H HN 0.445 nan 8.280 nan 0.000 0.513 652 H N -0.117 118.596 119.070 -0.595 0.000 2.293 652 H HA -0.124 4.419 4.556 -0.021 0.000 0.300 652 H C 2.349 177.360 175.328 -0.528 0.000 1.082 652 H CA 1.436 56.822 56.048 -1.102 0.000 1.308 652 H CB -1.076 27.814 29.762 -1.453 0.000 1.375 652 H HN 0.358 nan 8.280 nan 0.000 0.495 653 F N 0.701 120.553 119.950 -0.164 0.000 2.171 653 F HA -0.149 4.365 4.527 -0.021 0.000 0.300 653 F C 2.738 178.539 175.800 0.002 0.000 1.090 653 F CA 0.927 58.888 58.000 -0.064 0.000 1.293 653 F CB -0.532 38.420 39.000 -0.079 0.000 1.013 653 F HN 0.182 nan 8.300 nan 0.000 0.486 654 A N -0.646 122.298 122.820 0.206 0.000 1.877 654 A HA -0.211 4.097 4.320 -0.021 0.000 0.216 654 A C 2.316 180.149 177.584 0.416 0.000 1.186 654 A CA 1.842 54.080 52.037 0.336 0.000 0.620 654 A CB -1.507 17.701 19.000 0.347 0.000 0.822 654 A HN 0.480 nan 8.150 nan 0.000 0.443 655 C N -1.037 118.283 119.300 0.034 0.000 2.413 655 C HA -0.114 4.333 4.460 -0.021 0.000 0.277 655 C C 2.571 177.553 174.990 -0.013 0.000 1.228 655 C CA 1.135 59.961 59.018 -0.319 0.000 1.731 655 C CB -1.418 26.020 27.740 -0.503 0.000 2.042 655 C HN 0.566 nan 8.230 nan 0.000 0.468 656 L N 0.605 121.866 121.223 0.064 0.000 1.989 656 L HA -0.121 4.207 4.340 -0.021 0.000 0.211 656 L C 2.588 179.547 176.870 0.147 0.000 1.071 656 L CA 1.762 56.661 54.840 0.099 0.000 0.749 656 L CB -1.502 40.598 42.059 0.068 0.000 0.890 656 L HN 0.192 nan 8.230 nan 0.000 0.431 657 V N -0.202 119.832 119.914 0.200 0.000 2.343 657 V HA -0.213 3.894 4.120 -0.021 0.000 0.247 657 V C 2.602 178.839 176.094 0.239 0.000 1.051 657 V CA 1.733 64.191 62.300 0.264 0.000 1.036 657 V CB -1.434 30.569 31.823 0.301 0.000 0.654 657 V HN 0.579 nan 8.190 nan 0.000 0.451 658 G N -1.458 107.442 108.800 0.167 0.000 2.442 658 G HA2 -0.268 3.679 3.960 -0.021 0.000 0.219 658 G HA3 -0.268 3.679 3.960 -0.021 0.000 0.219 658 G C 1.192 175.804 174.900 -0.480 0.000 1.141 658 G CA 0.830 45.827 45.100 -0.173 0.000 0.763 658 G HN 0.611 nan 8.290 nan 0.000 0.554 659 Y N -0.085 120.162 120.300 -0.089 0.000 2.571 659 Y HA 0.421 4.958 4.550 -0.021 0.000 0.275 659 Y C 1.778 177.449 175.900 -0.382 0.000 1.179 659 Y CA 0.132 58.131 58.100 -0.168 0.000 1.242 659 Y CB 0.802 39.255 38.460 -0.012 0.000 1.126 659 Y HN 0.277 nan 8.280 nan 0.000 0.524 660 G N -0.670 107.972 108.800 -0.263 0.000 2.260 660 G HA2 -0.102 3.846 3.960 -0.021 0.000 0.179 660 G HA3 -0.102 3.846 3.960 -0.021 0.000 0.179 660 G C 0.176 175.247 174.900 0.285 0.000 1.002 660 G CA -0.411 44.505 45.100 -0.306 0.000 0.677 660 G HN 0.451 nan 8.290 nan 0.000 0.486 661 A N 0.748 123.708 122.820 0.234 0.000 2.409 661 A HA 0.735 5.042 4.320 -0.021 0.000 0.262 661 A C 1.378 179.012 177.584 0.083 0.000 1.113 661 A CA 1.113 53.258 52.037 0.180 0.000 0.790 661 A CB 0.708 19.780 19.000 0.120 0.000 1.046 661 A HN 0.719 nan 8.150 nan 0.000 0.496 662 S N 0.844 116.543 115.700 -0.003 0.000 2.446 662 S HA 0.391 4.849 4.470 -0.021 0.000 0.225 662 S C 0.816 175.351 174.600 -0.108 0.000 1.016 662 S CA 0.955 59.031 58.200 -0.207 0.000 0.943 662 S CB -0.059 63.071 63.200 -0.116 0.000 0.786 662 S HN 1.341 nan 8.310 nan 0.000 0.508 663 A N 0.678 123.490 122.820 -0.014 0.000 2.601 663 A HA 0.693 5.000 4.320 -0.021 0.000 0.291 663 A C -1.991 175.636 177.584 0.072 0.000 1.075 663 A CA -0.668 51.381 52.037 0.020 0.000 0.671 663 A CB 0.916 19.914 19.000 -0.003 0.000 1.277 663 A HN 0.086 nan 8.150 nan 0.000 0.417 664 I N 0.032 120.674 120.570 0.119 0.000 2.534 664 I HA 0.372 4.530 4.170 -0.021 0.000 0.288 664 I C -0.566 175.658 176.117 0.180 0.000 1.077 664 I CA -0.767 60.619 61.300 0.143 0.000 1.051 664 I CB 0.727 38.839 38.000 0.187 0.000 1.234 664 I HN 0.691 nan 8.210 nan 0.000 0.425 665 C N 9.212 128.604 119.300 0.152 0.000 2.203 665 C HA 0.509 4.956 4.460 -0.021 0.000 0.325 665 C C -2.008 173.104 174.990 0.203 0.000 1.156 665 C CA -1.439 57.692 59.018 0.188 0.000 1.597 665 C CB -0.008 27.830 27.740 0.164 0.000 2.148 665 C HN 0.502 nan 8.230 nan 0.000 0.472 666 P HA 0.124 nan 4.420 nan 0.000 0.225 666 P C 0.175 177.544 177.300 0.115 0.000 1.830 666 P CA -0.090 63.092 63.100 0.138 0.000 1.051 666 P CB -0.548 31.348 31.700 0.327 0.000 1.929 667 Y N 0.386 120.729 120.300 0.071 0.000 2.224 667 Y HA -0.101 4.435 4.550 -0.024 0.000 0.289 667 Y C 1.770 177.692 175.900 0.037 0.000 1.146 667 Y CA 0.790 58.915 58.100 0.041 0.000 1.182 667 Y CB -1.068 37.392 38.460 -0.000 0.000 0.983 667 Y HN 0.032 nan 8.280 nan 0.000 0.524 668 L N 0.189 121.156 121.223 -0.428 0.000 2.179 668 L HA 0.018 4.346 4.340 -0.021 0.000 0.208 668 L C 2.668 179.501 176.870 -0.062 0.000 1.096 668 L CA 1.164 55.884 54.840 -0.200 0.000 0.779 668 L CB -0.680 41.170 42.059 -0.348 0.000 0.922 668 L HN 0.486 nan 8.230 nan 0.000 0.443 669 A N 0.385 123.241 122.820 0.059 0.000 1.883 669 A HA -0.225 4.082 4.320 -0.021 0.000 0.217 669 A C 2.125 179.595 177.584 -0.189 0.000 1.186 669 A CA 1.506 53.570 52.037 0.044 0.000 0.624 669 A CB -0.688 18.430 19.000 0.198 0.000 0.822 669 A HN 0.432 nan 8.150 nan 0.000 0.444 670 L N -1.081 120.086 121.223 -0.093 0.000 2.046 670 L HA -0.189 4.138 4.340 -0.021 0.000 0.208 670 L C 2.665 179.504 176.870 -0.051 0.000 1.077 670 L CA 1.756 56.546 54.840 -0.083 0.000 0.747 670 L CB -0.546 41.563 42.059 0.084 0.000 0.896 670 L HN 0.468 nan 8.230 nan 0.000 0.432 671 E N 0.322 120.519 120.200 -0.005 0.000 2.110 671 E HA -0.160 4.177 4.350 -0.021 0.000 0.193 671 E C 2.219 178.825 176.600 0.011 0.000 0.988 671 E CA 1.505 57.916 56.400 0.019 0.000 0.804 671 E CB -0.014 29.735 29.700 0.081 0.000 0.745 671 E HN 0.242 nan 8.360 nan 0.000 0.458 672 S N -0.645 115.021 115.700 -0.057 0.000 2.370 672 S HA -0.153 4.304 4.470 -0.021 0.000 0.226 672 S C 1.988 176.606 174.600 0.031 0.000 1.033 672 S CA 1.220 59.378 58.200 -0.071 0.000 1.011 672 S CB -0.324 62.774 63.200 -0.169 0.000 0.852 672 S HN 0.168 nan 8.310 nan 0.000 0.457 673 V N 1.996 121.899 119.914 -0.018 0.000 2.307 673 V HA -0.171 3.936 4.120 -0.021 0.000 0.245 673 V C 2.466 178.709 176.094 0.249 0.000 1.045 673 V CA 1.605 63.963 62.300 0.096 0.000 1.024 673 V CB -0.622 31.152 31.823 -0.082 0.000 0.651 673 V HN 0.387 nan 8.190 nan 0.000 0.449 674 R N -0.239 120.330 120.500 0.116 0.000 2.096 674 R HA -0.198 4.130 4.340 -0.021 0.000 0.240 674 R C 2.409 178.832 176.300 0.205 0.000 1.139 674 R CA 1.626 57.805 56.100 0.131 0.000 0.952 674 R CB -0.378 29.954 30.300 0.054 0.000 0.854 674 R HN 0.531 nan 8.270 nan 0.000 0.436 675 Q N -0.597 119.302 119.800 0.165 0.000 2.123 675 Q HA -0.174 4.154 4.340 -0.021 0.000 0.199 675 Q C 1.772 177.864 176.000 0.153 0.000 0.966 675 Q CA 1.044 56.928 55.803 0.136 0.000 0.845 675 Q CB -0.316 28.480 28.738 0.097 0.000 0.907 675 Q HN 0.462 nan 8.270 nan 0.000 0.439 676 W N 0.591 121.915 121.300 0.039 0.000 2.333 676 W HA -0.262 4.382 4.660 -0.026 0.000 0.316 676 W C 2.006 178.567 176.519 0.070 0.000 1.215 676 W CA 1.634 59.000 57.345 0.035 0.000 1.278 676 W CB -0.905 28.574 29.460 0.032 0.000 1.154 676 W HN 0.237 nan 8.180 nan 0.000 0.486 677 W N 0.767 121.907 121.300 -0.266 0.000 2.338 677 W HA -0.209 4.472 4.660 0.035 0.000 0.304 677 W C 2.078 178.373 176.519 -0.374 0.000 1.212 677 W CA 2.665 59.678 57.345 -0.553 0.000 1.264 677 W CB -0.566 28.772 29.460 -0.203 0.000 1.142 677 W HN -0.117 nan 8.180 nan 0.000 0.512 678 L N 0.114 121.339 121.223 0.003 0.000 2.395 678 L HA -0.054 4.274 4.340 -0.021 0.000 0.218 678 L C 0.955 177.702 176.870 -0.205 0.000 1.130 678 L CA 0.379 55.175 54.840 -0.074 0.000 0.826 678 L CB -0.907 41.225 42.059 0.122 0.000 0.941 678 L HN -0.214 nan 8.230 nan 0.000 0.451 679 D N 1.153 121.426 120.400 -0.211 0.000 2.531 679 D HA -0.120 4.508 4.640 -0.021 0.000 0.239 679 D C 1.214 177.362 176.300 -0.254 0.000 1.144 679 D CA 0.233 54.120 54.000 -0.189 0.000 0.869 679 D CB 1.171 41.875 40.800 -0.159 0.000 1.160 679 D HN 0.391 nan 8.370 nan 0.000 0.484 680 E N 3.554 123.646 120.200 -0.180 0.000 2.118 680 E HA -0.243 4.094 4.350 -0.021 0.000 0.195 680 E C 1.357 177.847 176.600 -0.184 0.000 0.992 680 E CA 1.243 57.535 56.400 -0.180 0.000 0.804 680 E CB -0.065 29.563 29.700 -0.120 0.000 0.741 680 E HN 0.432 nan 8.360 nan 0.000 0.458 681 K N 0.220 120.528 120.400 -0.152 0.000 2.097 681 K HA -0.076 4.231 4.320 -0.021 0.000 0.206 681 K C 2.230 178.726 176.600 -0.172 0.000 1.049 681 K CA 1.760 57.972 56.287 -0.125 0.000 0.933 681 K CB -0.184 32.270 32.500 -0.076 0.000 0.717 681 K HN 0.174 nan 8.250 nan 0.000 0.442 682 T N 1.121 115.507 114.554 -0.280 0.000 2.737 682 T HA -0.150 4.187 4.350 -0.021 0.000 0.265 682 T C 1.862 176.303 174.700 -0.432 0.000 1.038 682 T CA 1.167 63.015 62.100 -0.420 0.000 1.144 682 T CB -0.113 68.260 68.868 -0.826 0.000 0.866 682 T HN 0.240 nan 8.240 nan 0.000 0.434 683 Q N 0.296 119.809 119.800 -0.479 0.000 2.170 683 Q HA -0.058 4.269 4.340 -0.021 0.000 0.203 683 Q C 2.295 178.141 176.000 -0.257 0.000 0.976 683 Q CA 1.185 56.728 55.803 -0.433 0.000 0.858 683 Q CB -0.017 28.435 28.738 -0.476 0.000 0.907 683 Q HN 0.235 nan 8.270 nan 0.000 0.433 684 K N 0.142 120.419 120.400 -0.204 0.000 2.097 684 K HA -0.082 4.226 4.320 -0.021 0.000 0.206 684 K C 1.690 178.229 176.600 -0.103 0.000 1.049 684 K CA 0.942 57.150 56.287 -0.131 0.000 0.933 684 K CB -0.044 32.392 32.500 -0.107 0.000 0.717 684 K HN 0.155 nan 8.250 nan 0.000 0.442 685 L N -0.117 121.042 121.223 -0.107 0.000 2.141 685 L HA -0.130 4.197 4.340 -0.021 0.000 0.209 685 L C 2.290 179.125 176.870 -0.058 0.000 1.094 685 L CA 0.956 55.760 54.840 -0.061 0.000 0.763 685 L CB -0.325 41.717 42.059 -0.029 0.000 0.908 685 L HN 0.271 nan 8.230 nan 0.000 0.437 686 M N -0.645 118.891 119.600 -0.108 0.000 2.077 686 M HA -0.174 4.293 4.480 -0.021 0.000 0.261 686 M C 1.908 178.170 176.300 -0.063 0.000 1.070 686 M CA 1.580 56.828 55.300 -0.087 0.000 1.125 686 M CB -0.481 32.026 32.600 -0.155 0.000 1.339 686 M HN 0.196 nan 8.290 nan 0.000 0.409 687 E N 0.724 120.874 120.200 -0.084 0.000 2.510 687 E HA -0.125 4.212 4.350 -0.021 0.000 0.202 687 E C 0.825 177.401 176.600 -0.039 0.000 1.072 687 E CA 0.954 57.318 56.400 -0.060 0.000 0.883 687 E CB -0.249 29.407 29.700 -0.072 0.000 0.818 687 E HN 0.759 nan 8.360 nan 0.000 0.548 688 N N -1.852 116.827 118.700 -0.034 0.000 2.801 688 N HA -0.032 4.695 4.740 -0.021 0.000 0.280 688 N C 1.884 177.390 175.510 -0.007 0.000 0.835 688 N CA 0.529 53.568 53.050 -0.018 0.000 1.145 688 N CB -0.244 38.231 38.487 -0.020 0.000 1.516 688 N HN 0.021 nan 8.380 nan 0.000 1.122 689 G N 1.388 110.184 108.800 -0.007 0.000 2.473 689 G HA2 0.077 4.025 3.960 -0.021 0.000 0.212 689 G HA3 0.077 4.025 3.960 -0.021 0.000 0.212 689 G C 0.939 175.854 174.900 0.025 0.000 1.211 689 G CA 0.137 45.242 45.100 0.008 0.000 0.813 689 G HN 0.137 nan 8.290 nan 0.000 0.541 690 R N -0.425 120.094 120.500 0.031 0.000 2.801 690 R HA 0.336 4.663 4.340 -0.021 0.000 0.273 690 R C -0.049 176.288 176.300 0.061 0.000 1.080 690 R CA -0.378 55.761 56.100 0.065 0.000 1.197 690 R CB 0.266 30.619 30.300 0.088 0.000 1.109 690 R HN 0.105 nan 8.270 nan 0.000 0.535 691 L N 2.520 123.798 121.223 0.092 0.000 2.433 691 L HA 0.018 4.346 4.340 -0.021 0.000 0.284 691 L C 0.138 177.062 176.870 0.090 0.000 1.120 691 L CA 0.128 55.019 54.840 0.085 0.000 0.879 691 L CB 0.409 42.525 42.059 0.096 0.000 1.232 691 L HN 0.571 nan 8.230 nan 0.000 0.454 692 D N 3.449 123.882 120.400 0.055 0.000 2.994 692 D HA 0.009 4.637 4.640 -0.021 0.000 0.240 692 D C 1.003 177.343 176.300 0.067 0.000 1.195 692 D CA 0.052 54.082 54.000 0.050 0.000 0.957 692 D CB 0.155 40.961 40.800 0.010 0.000 1.105 692 D HN 0.304 nan 8.370 nan 0.000 0.477 693 R N 0.761 121.314 120.500 0.088 0.000 2.507 693 R HA 0.355 4.682 4.340 -0.021 0.000 0.298 693 R C -0.232 176.132 176.300 0.108 0.000 0.999 693 R CA -0.029 56.121 56.100 0.083 0.000 1.082 693 R CB 0.167 30.510 30.300 0.072 0.000 1.246 693 R HN 0.230 nan 8.270 nan 0.000 0.553 694 I N 2.130 122.790 120.570 0.151 0.000 2.476 694 I HA 0.183 4.340 4.170 -0.021 0.000 0.281 694 I C -0.839 175.479 176.117 0.335 0.000 1.040 694 I CA -1.148 60.278 61.300 0.210 0.000 1.094 694 I CB 1.522 39.677 38.000 0.259 0.000 1.219 694 I HN 0.124 nan 8.210 nan 0.000 0.450 695 D N 5.043 125.561 120.400 0.196 0.000 2.423 695 D HA 0.104 4.732 4.640 -0.021 0.000 0.255 695 D C 0.948 177.008 176.300 -0.399 0.000 1.174 695 D CA -0.682 53.379 54.000 0.102 0.000 1.008 695 D CB 1.082 41.886 40.800 0.007 0.000 1.101 695 D HN 0.269 nan 8.370 nan 0.000 0.516 696 L N 0.195 120.734 121.223 -1.140 0.000 2.017 696 L HA 0.014 4.341 4.340 -0.021 0.000 0.208 696 L C -1.047 175.478 176.870 -0.576 0.000 1.073 696 L CA 1.817 55.855 54.840 -1.336 0.000 0.745 696 L CB -1.726 39.456 42.059 -1.463 0.000 0.894 696 L HN 0.380 nan 8.230 nan 0.000 0.432 697 P HA -0.118 nan 4.420 nan 0.000 0.216 697 P C 1.597 178.795 177.300 -0.171 0.000 1.150 697 P CA 1.786 64.769 63.100 -0.196 0.000 0.837 697 P CB -0.171 31.482 31.700 -0.078 0.000 0.786 698 T N -0.809 113.670 114.554 -0.124 0.000 2.821 698 T HA -0.095 4.243 4.350 -0.021 0.000 0.267 698 T C 1.877 176.548 174.700 -0.047 0.000 1.046 698 T CA 1.532 63.604 62.100 -0.047 0.000 1.139 698 T CB -0.824 68.051 68.868 0.012 0.000 0.871 698 T HN 0.050 nan 8.240 nan 0.000 0.454 699 A N 1.143 123.926 122.820 -0.061 0.000 1.898 699 A HA 0.037 4.345 4.320 -0.021 0.000 0.216 699 A C 2.263 179.797 177.584 -0.083 0.000 1.181 699 A CA 1.157 53.220 52.037 0.043 0.000 0.620 699 A CB -0.776 18.350 19.000 0.210 0.000 0.819 699 A HN 0.461 nan 8.150 nan 0.000 0.442 700 L N -0.648 120.382 121.223 -0.322 0.000 2.056 700 L HA -0.163 4.164 4.340 -0.021 0.000 0.207 700 L C 2.650 179.119 176.870 -0.668 0.000 1.078 700 L CA 1.661 56.109 54.840 -0.653 0.000 0.749 700 L CB -0.406 40.914 42.059 -1.231 0.000 0.901 700 L HN 0.351 nan 8.230 nan 0.000 0.433 701 K N 0.279 120.390 120.400 -0.481 0.000 2.032 701 K HA -0.195 4.113 4.320 -0.021 0.000 0.209 701 K C 1.935 178.538 176.600 0.005 0.000 1.048 701 K CA 1.551 57.808 56.287 -0.050 0.000 0.927 701 K CB -0.103 32.439 32.500 0.070 0.000 0.712 701 K HN 0.280 nan 8.250 nan 0.000 0.441 702 N N 0.359 119.055 118.700 -0.007 0.000 2.104 702 N HA -0.212 4.515 4.740 -0.021 0.000 0.190 702 N C 1.650 177.171 175.510 0.019 0.000 1.024 702 N CA 1.207 54.269 53.050 0.020 0.000 0.853 702 N CB -0.649 37.865 38.487 0.044 0.000 1.008 702 N HN 0.291 nan 8.380 nan 0.000 0.424 703 Y N 1.887 122.139 120.300 -0.079 0.000 2.128 703 Y HA -0.172 4.363 4.550 -0.025 0.000 0.284 703 Y C 2.664 178.535 175.900 -0.048 0.000 1.154 703 Y CA 1.865 59.929 58.100 -0.061 0.000 1.149 703 Y CB -0.255 38.169 38.460 -0.061 0.000 0.976 703 Y HN -0.016 nan 8.280 nan 0.000 0.505 704 R N 0.288 120.761 120.500 -0.044 0.000 2.081 704 R HA -0.227 4.100 4.340 -0.021 0.000 0.235 704 R C 2.437 178.631 176.300 -0.177 0.000 1.131 704 R CA 1.838 57.883 56.100 -0.092 0.000 0.960 704 R CB -0.483 29.947 30.300 0.216 0.000 0.856 704 R HN 0.569 nan 8.270 nan 0.000 0.436 705 Q N 0.096 119.844 119.800 -0.086 0.000 2.061 705 Q HA -0.148 4.179 4.340 -0.021 0.000 0.204 705 Q C 1.926 177.854 176.000 -0.121 0.000 0.984 705 Q CA 2.206 57.968 55.803 -0.068 0.000 0.846 705 Q CB -0.005 28.725 28.738 -0.014 0.000 0.902 705 Q HN 0.338 nan 8.270 nan 0.000 0.421 706 S N -0.322 115.276 115.700 -0.170 0.000 2.370 706 S HA -0.139 4.319 4.470 -0.021 0.000 0.226 706 S C 1.927 176.363 174.600 -0.274 0.000 1.033 706 S CA 1.356 59.444 58.200 -0.187 0.000 1.011 706 S CB -0.211 62.871 63.200 -0.198 0.000 0.852 706 S HN 0.265 nan 8.310 nan 0.000 0.457 707 V N 1.566 121.202 119.914 -0.463 0.000 2.358 707 V HA -0.154 3.954 4.120 -0.021 0.000 0.246 707 V C 2.292 178.118 176.094 -0.447 0.000 1.047 707 V CA 1.621 63.572 62.300 -0.582 0.000 1.035 707 V CB -0.627 30.587 31.823 -1.014 0.000 0.658 707 V HN 0.463 nan 8.190 nan 0.000 0.452 708 E N 0.307 120.287 120.200 -0.366 0.000 2.051 708 E HA -0.185 4.152 4.350 -0.021 0.000 0.192 708 E C 2.327 178.794 176.600 -0.223 0.000 0.991 708 E CA 1.348 57.543 56.400 -0.343 0.000 0.799 708 E CB -0.361 29.200 29.700 -0.231 0.000 0.748 708 E HN 0.585 nan 8.360 nan 0.000 0.449 709 A N 0.918 123.717 122.820 -0.036 0.000 1.933 709 A HA -0.099 4.209 4.320 -0.021 0.000 0.218 709 A C 2.386 179.999 177.584 0.048 0.000 1.175 709 A CA 1.669 53.777 52.037 0.118 0.000 0.628 709 A CB -0.993 18.046 19.000 0.065 0.000 0.814 709 A HN 0.369 nan 8.150 nan 0.000 0.444 710 G N -0.452 108.309 108.800 -0.066 0.000 2.422 710 G HA2 -0.073 3.874 3.960 -0.021 0.000 0.218 710 G HA3 -0.073 3.874 3.960 -0.021 0.000 0.218 710 G C 1.527 176.375 174.900 -0.087 0.000 1.140 710 G CA 0.873 45.935 45.100 -0.063 0.000 0.775 710 G HN 0.426 nan 8.290 nan 0.000 0.545 711 L N -0.784 120.323 121.223 -0.193 0.000 2.056 711 L HA 0.066 4.393 4.340 -0.021 0.000 0.207 711 L C 2.673 179.411 176.870 -0.219 0.000 1.078 711 L CA 0.739 55.421 54.840 -0.264 0.000 0.749 711 L CB -0.415 41.408 42.059 -0.394 0.000 0.901 711 L HN 0.186 nan 8.230 nan 0.000 0.433 712 F N 0.390 120.263 119.950 -0.129 0.000 2.126 712 F HA -0.299 4.214 4.527 -0.023 0.000 0.299 712 F C 2.782 178.533 175.800 -0.080 0.000 1.096 712 F CA 1.370 59.310 58.000 -0.099 0.000 1.255 712 F CB -0.186 38.771 39.000 -0.073 0.000 0.997 712 F HN 0.018 nan 8.300 nan 0.000 0.479 713 K N 1.126 121.604 120.400 0.129 0.000 2.009 713 K HA -0.211 4.096 4.320 -0.021 0.000 0.210 713 K C 1.997 178.619 176.600 0.036 0.000 1.049 713 K CA 1.813 58.142 56.287 0.071 0.000 0.929 713 K CB -0.425 32.108 32.500 0.054 0.000 0.714 713 K HN 0.244 nan 8.250 nan 0.000 0.440 714 I N 1.599 122.166 120.570 -0.005 0.000 2.163 714 I HA -0.328 3.830 4.170 -0.021 0.000 0.243 714 I C 2.332 178.405 176.117 -0.073 0.000 1.085 714 I CA 1.101 62.388 61.300 -0.022 0.000 1.347 714 I CB -0.288 37.689 38.000 -0.039 0.000 1.044 714 I HN 0.230 nan 8.210 nan 0.000 0.408 715 L N 0.490 121.596 121.223 -0.194 0.000 2.042 715 L HA -0.221 4.106 4.340 -0.021 0.000 0.210 715 L C 2.831 179.715 176.870 0.024 0.000 1.076 715 L CA 2.098 56.853 54.840 -0.142 0.000 0.749 715 L CB -1.149 40.817 42.059 -0.156 0.000 0.893 715 L HN 0.434 nan 8.230 nan 0.000 0.432 716 S N -0.369 115.359 115.700 0.045 0.000 2.423 716 S HA -0.171 4.286 4.470 -0.021 0.000 0.231 716 S C 1.845 176.488 174.600 0.072 0.000 1.014 716 S CA 0.725 58.962 58.200 0.063 0.000 0.965 716 S CB -0.248 62.989 63.200 0.062 0.000 0.785 716 S HN 0.390 nan 8.310 nan 0.000 0.495 717 K N 0.074 120.523 120.400 0.081 0.000 2.103 717 K HA -0.025 4.283 4.320 -0.021 0.000 0.207 717 K C 1.854 178.549 176.600 0.157 0.000 1.048 717 K CA 1.597 57.956 56.287 0.120 0.000 0.930 717 K CB -0.256 32.328 32.500 0.140 0.000 0.716 717 K HN 0.397 nan 8.250 nan 0.000 0.444 718 M N -0.613 119.065 119.600 0.129 0.000 2.428 718 M HA 0.174 4.641 4.480 -0.021 0.000 0.239 718 M C 0.495 176.848 176.300 0.088 0.000 1.121 718 M CA 0.488 55.854 55.300 0.110 0.000 1.019 718 M CB 0.577 33.238 32.600 0.100 0.000 1.485 718 M HN 0.292 nan 8.290 nan 0.000 0.484 719 G N 1.246 110.094 108.800 0.081 0.000 2.136 719 G HA2 -0.224 3.724 3.960 -0.021 0.000 0.242 719 G HA3 -0.224 3.724 3.960 -0.021 0.000 0.242 719 G C 0.030 174.970 174.900 0.067 0.000 0.989 719 G CA 0.314 45.449 45.100 0.059 0.000 0.682 719 G HN 0.503 nan 8.290 nan 0.000 0.522 720 I N 0.918 121.541 120.570 0.089 0.000 2.365 720 I HA 0.333 4.490 4.170 -0.021 0.000 0.291 720 I C 1.514 177.692 176.117 0.102 0.000 1.004 720 I CA -0.296 61.069 61.300 0.109 0.000 1.311 720 I CB 1.624 39.722 38.000 0.163 0.000 1.401 720 I HN 0.037 nan 8.210 nan 0.000 0.491 721 S N 5.442 121.205 115.700 0.105 0.000 2.404 721 S HA 0.266 4.724 4.470 -0.021 0.000 0.223 721 S C 0.542 175.223 174.600 0.134 0.000 1.040 721 S CA 0.386 58.651 58.200 0.109 0.000 0.957 721 S CB 0.137 63.391 63.200 0.090 0.000 0.826 721 S HN 0.372 nan 8.310 nan 0.000 0.491 722 L N 2.016 123.318 121.223 0.133 0.000 2.307 722 L HA 0.376 4.704 4.340 -0.021 0.000 0.284 722 L C 0.760 177.709 176.870 0.133 0.000 1.023 722 L CA -0.444 54.476 54.840 0.133 0.000 0.810 722 L CB 1.411 43.556 42.059 0.145 0.000 1.231 722 L HN 0.117 nan 8.230 nan 0.000 0.423 723 L N 3.667 124.939 121.223 0.081 0.000 2.127 723 L HA -0.182 4.146 4.340 -0.021 0.000 0.211 723 L C 2.465 179.443 176.870 0.180 0.000 1.089 723 L CA 2.218 57.109 54.840 0.086 0.000 0.757 723 L CB -0.414 41.629 42.059 -0.027 0.000 0.899 723 L HN 0.834 nan 8.230 nan 0.000 0.434 724 A N -2.092 120.818 122.820 0.150 0.000 1.978 724 A HA -0.200 4.108 4.320 -0.021 0.000 0.220 724 A C 2.451 180.155 177.584 0.200 0.000 1.170 724 A CA 2.035 54.172 52.037 0.167 0.000 0.636 724 A CB -0.687 18.403 19.000 0.150 0.000 0.810 724 A HN 0.500 nan 8.150 nan 0.000 0.448 725 S N -2.437 113.383 115.700 0.200 0.000 2.406 725 S HA -0.037 4.420 4.470 -0.021 0.000 0.224 725 S C 1.762 176.499 174.600 0.229 0.000 1.030 725 S CA 0.910 59.224 58.200 0.191 0.000 0.958 725 S CB -0.429 62.868 63.200 0.161 0.000 0.811 725 S HN 0.706 nan 8.310 nan 0.000 0.489 726 Y N 1.778 122.151 120.300 0.120 0.000 2.352 726 Y HA -0.157 4.381 4.550 -0.020 0.000 0.292 726 Y C 2.302 178.292 175.900 0.150 0.000 1.136 726 Y CA 1.789 59.945 58.100 0.093 0.000 1.227 726 Y CB -0.387 38.114 38.460 0.068 0.000 0.991 726 Y HN 0.371 nan 8.280 nan 0.000 0.545 727 H N -0.431 118.773 119.070 0.223 0.000 2.252 727 H HA -0.173 4.371 4.556 -0.020 0.000 0.292 727 H C 2.323 177.758 175.328 0.177 0.000 1.082 727 H CA 2.185 58.355 56.048 0.204 0.000 1.229 727 H CB -0.932 28.965 29.762 0.224 0.000 1.353 727 H HN 0.341 nan 8.280 nan 0.000 0.488 728 G N -0.264 108.691 108.800 0.259 0.000 2.679 728 G HA2 0.192 4.140 3.960 -0.021 0.000 0.212 728 G HA3 0.192 4.140 3.960 -0.021 0.000 0.212 728 G C 0.513 175.219 174.900 -0.322 0.000 1.137 728 G CA 0.415 45.403 45.100 -0.186 0.000 0.787 728 G HN 0.720 nan 8.290 nan 0.000 0.534 729 A N -0.463 122.205 122.820 -0.254 0.000 2.286 729 A HA 0.726 5.033 4.320 -0.021 0.000 0.286 729 A C 0.000 177.346 177.584 -0.397 0.000 1.097 729 A CA -0.464 51.404 52.037 -0.282 0.000 0.821 729 A CB 0.657 19.516 19.000 -0.234 0.000 1.076 729 A HN 0.259 nan 8.150 nan 0.000 0.490 730 Q N 1.138 120.755 119.800 -0.306 0.000 2.907 730 Q HA 0.260 4.588 4.340 -0.021 0.000 0.262 730 Q C -0.831 175.085 176.000 -0.139 0.000 0.997 730 Q CA -0.308 55.278 55.803 -0.361 0.000 0.797 730 Q CB 0.904 29.458 28.738 -0.306 0.000 1.228 730 Q HN 0.629 nan 8.270 nan 0.000 0.466 731 I N 2.538 122.901 120.570 -0.345 0.000 2.546 731 I HA 0.164 4.321 4.170 -0.021 0.000 0.275 731 I C -0.459 175.280 176.117 -0.630 0.000 1.032 731 I CA 0.754 61.797 61.300 -0.428 0.000 2.040 731 I CB -1.607 36.119 38.000 -0.455 0.000 1.464 731 I HN 0.332 nan 8.210 nan 0.000 0.865 732 F N 0.638 120.644 119.950 0.093 0.000 2.662 732 F HA 0.438 4.952 4.527 -0.022 0.000 0.312 732 F C 0.223 176.147 175.800 0.205 0.000 1.113 732 F CA -0.987 57.157 58.000 0.239 0.000 0.951 732 F CB 1.733 40.999 39.000 0.444 0.000 1.344 732 F HN 0.025 nan 8.300 nan 0.000 0.462 733 E N 1.198 121.630 120.200 0.387 0.000 2.210 733 E HA 0.764 5.102 4.350 -0.021 0.000 0.266 733 E C -1.529 175.152 176.600 0.134 0.000 0.883 733 E CA -0.886 55.636 56.400 0.204 0.000 0.761 733 E CB 1.845 31.612 29.700 0.113 0.000 1.156 733 E HN 0.768 nan 8.360 nan 0.000 0.412 734 A N 5.189 127.981 122.820 -0.046 0.000 2.310 734 A HA 0.556 4.864 4.320 -0.021 0.000 0.299 734 A C -0.424 177.047 177.584 -0.188 0.000 1.147 734 A CA -0.542 51.291 52.037 -0.341 0.000 0.818 734 A CB 0.403 19.032 19.000 -0.618 0.000 1.096 734 A HN 0.685 nan 8.150 nan 0.000 0.495 735 I N 2.108 122.574 120.570 -0.173 0.000 2.420 735 I HA 0.488 4.646 4.170 -0.021 0.000 0.282 735 I C 0.952 177.049 176.117 -0.034 0.000 1.019 735 I CA 0.181 61.422 61.300 -0.099 0.000 1.130 735 I CB 1.391 39.329 38.000 -0.103 0.000 1.262 735 I HN 1.039 nan 8.210 nan 0.000 0.454 736 G N 5.545 114.323 108.800 -0.037 0.000 2.131 736 G HA2 -0.181 3.767 3.960 -0.021 0.000 0.223 736 G HA3 -0.181 3.767 3.960 -0.021 0.000 0.223 736 G C -0.275 174.592 174.900 -0.055 0.000 0.990 736 G CA -0.560 44.547 45.100 0.013 0.000 0.671 736 G HN 0.468 nan 8.290 nan 0.000 0.521 737 L N 1.036 122.171 121.223 -0.146 0.000 2.307 737 L HA 0.677 5.005 4.340 -0.021 0.000 0.284 737 L C 1.322 178.123 176.870 -0.114 0.000 1.023 737 L CA -0.628 54.094 54.840 -0.196 0.000 0.810 737 L CB 1.501 43.380 42.059 -0.299 0.000 1.231 737 L HN 0.187 nan 8.230 nan 0.000 0.423 738 G N 1.178 109.921 108.800 -0.094 0.000 2.614 738 G HA2 0.283 4.231 3.960 -0.021 0.000 0.239 738 G HA3 0.283 4.231 3.960 -0.021 0.000 0.239 738 G C 0.960 175.840 174.900 -0.035 0.000 1.240 738 G CA 0.221 45.285 45.100 -0.060 0.000 0.842 738 G HN 0.872 nan 8.290 nan 0.000 0.584 739 A N 0.799 123.604 122.820 -0.025 0.000 1.933 739 A HA -0.051 4.257 4.320 -0.021 0.000 0.218 739 A C 2.194 179.778 177.584 0.001 0.000 1.175 739 A CA 2.154 54.184 52.037 -0.011 0.000 0.628 739 A CB -0.367 18.625 19.000 -0.014 0.000 0.814 739 A HN 0.628 nan 8.150 nan 0.000 0.444 740 E N -0.530 119.667 120.200 -0.005 0.000 2.051 740 E HA -0.144 4.193 4.350 -0.021 0.000 0.192 740 E C 1.896 178.515 176.600 0.030 0.000 0.991 740 E CA 1.110 57.515 56.400 0.008 0.000 0.799 740 E CB -0.430 29.263 29.700 -0.011 0.000 0.748 740 E HN 0.501 nan 8.360 nan 0.000 0.449 741 L N 0.113 121.341 121.223 0.008 0.000 2.017 741 L HA -0.144 4.183 4.340 -0.021 0.000 0.208 741 L C 2.059 179.005 176.870 0.127 0.000 1.073 741 L CA 1.420 56.279 54.840 0.032 0.000 0.745 741 L CB -0.478 41.585 42.059 0.007 0.000 0.894 741 L HN 0.024 nan 8.230 nan 0.000 0.432 742 V N -0.164 119.832 119.914 0.137 0.000 2.295 742 V HA -0.282 3.826 4.120 -0.021 0.000 0.246 742 V C 2.651 178.791 176.094 0.077 0.000 1.049 742 V CA 1.873 64.296 62.300 0.204 0.000 1.024 742 V CB -0.669 31.218 31.823 0.106 0.000 0.648 742 V HN 0.581 nan 8.190 nan 0.000 0.447 743 E N -0.421 119.790 120.200 0.018 0.000 2.110 743 E HA -0.262 4.076 4.350 -0.021 0.000 0.193 743 E C 2.025 178.565 176.600 -0.100 0.000 0.988 743 E CA 1.667 58.032 56.400 -0.059 0.000 0.804 743 E CB -0.486 29.192 29.700 -0.035 0.000 0.745 743 E HN 0.686 nan 8.360 nan 0.000 0.458 744 Y N -0.711 119.509 120.300 -0.133 0.000 2.200 744 Y HA -0.050 4.487 4.550 -0.021 0.000 0.290 744 Y C 1.913 177.717 175.900 -0.160 0.000 1.137 744 Y CA 2.002 60.051 58.100 -0.085 0.000 1.163 744 Y CB 0.030 38.466 38.460 -0.041 0.000 0.988 744 Y HN 0.168 nan 8.280 nan 0.000 0.518 745 A N -2.723 119.980 122.820 -0.194 0.000 2.340 745 A HA 0.274 4.581 4.320 -0.021 0.000 0.213 745 A C 0.277 177.404 177.584 -0.762 0.000 1.299 745 A CA -0.141 51.554 52.037 -0.570 0.000 0.994 745 A CB -0.147 18.241 19.000 -1.020 0.000 1.132 745 A HN 0.362 nan 8.150 nan 0.000 0.519 746 F N 0.113 120.057 119.950 -0.010 0.000 2.777 746 F HA 0.536 5.050 4.527 -0.021 0.000 0.361 746 F C 0.938 176.726 175.800 -0.019 0.000 1.254 746 F CA -0.599 57.436 58.000 0.058 0.000 1.181 746 F CB 0.250 39.239 39.000 -0.018 0.000 1.082 746 F HN 0.143 nan 8.300 nan 0.000 0.510 747 A N 0.692 123.280 122.820 -0.386 0.000 2.584 747 A HA 0.355 4.663 4.320 -0.021 0.000 0.239 747 A C 1.551 179.098 177.584 -0.061 0.000 1.043 747 A CA 1.256 53.100 52.037 -0.323 0.000 0.756 747 A CB -0.606 18.046 19.000 -0.579 0.000 0.963 747 A HN 1.327 nan 8.150 nan 0.000 0.511 748 G N 2.086 110.891 108.800 0.008 0.000 2.176 748 G HA2 -0.201 3.746 3.960 -0.021 0.000 0.253 748 G HA3 -0.201 3.746 3.960 -0.021 0.000 0.253 748 G C 0.413 175.378 174.900 0.107 0.000 0.979 748 G CA 0.470 45.599 45.100 0.049 0.000 0.641 748 G HN 1.239 nan 8.290 nan 0.000 0.530 749 T N 1.867 116.531 114.554 0.184 0.000 2.832 749 T HA 0.503 4.840 4.350 -0.021 0.000 0.296 749 T C 0.852 175.622 174.700 0.117 0.000 0.968 749 T CA 0.683 62.916 62.100 0.220 0.000 1.107 749 T CB 1.449 70.541 68.868 0.373 0.000 0.916 749 T HN 0.860 nan 8.240 nan 0.000 0.517 750 T N 0.809 115.415 114.554 0.087 0.000 2.907 750 T HA 0.367 4.705 4.350 -0.021 0.000 0.298 750 T C 0.138 174.847 174.700 0.014 0.000 1.017 750 T CA -0.522 61.602 62.100 0.039 0.000 1.118 750 T CB 0.767 69.649 68.868 0.024 0.000 0.948 750 T HN 0.433 nan 8.240 nan 0.000 0.531 751 S N 2.626 118.320 115.700 -0.011 0.000 2.413 751 S HA 0.332 4.790 4.470 -0.021 0.000 0.170 751 S C 0.843 175.421 174.600 -0.037 0.000 1.294 751 S CA -0.826 57.346 58.200 -0.046 0.000 1.201 751 S CB 0.169 63.328 63.200 -0.067 0.000 1.328 751 S HN 0.816 nan 8.310 nan 0.000 0.418 752 R N 1.385 121.865 120.500 -0.032 0.000 2.275 752 R HA 0.147 4.475 4.340 -0.021 0.000 0.199 752 R C 1.274 177.556 176.300 -0.030 0.000 0.989 752 R CA 0.563 56.648 56.100 -0.025 0.000 1.016 752 R CB 0.224 30.512 30.300 -0.020 0.000 0.918 752 R HN 0.403 nan 8.270 nan 0.000 0.473 753 V N 0.504 120.394 119.914 -0.040 0.000 3.427 753 V HA 0.251 4.358 4.120 -0.021 0.000 0.305 753 V C 0.184 176.255 176.094 -0.039 0.000 1.412 753 V CA 0.242 62.518 62.300 -0.040 0.000 1.086 753 V CB 0.065 31.860 31.823 -0.048 0.000 0.964 753 V HN 0.454 nan 8.190 nan 0.000 0.439 754 G N 0.349 109.124 108.800 -0.041 0.000 3.610 754 G HA2 0.118 4.066 3.960 -0.021 0.000 0.341 754 G HA3 0.118 4.066 3.960 -0.021 0.000 0.341 754 G C 0.582 175.455 174.900 -0.045 0.000 0.587 754 G CA 0.413 45.487 45.100 -0.043 0.000 1.279 754 G HN 1.194 nan 8.290 nan 0.000 0.556 755 G N 1.206 109.972 108.800 -0.057 0.000 3.504 755 G HA2 0.492 4.440 3.960 -0.021 0.000 0.157 755 G HA3 0.492 4.440 3.960 -0.021 0.000 0.157 755 G C -0.168 174.685 174.900 -0.078 0.000 1.245 755 G CA -0.171 44.895 45.100 -0.056 0.000 1.410 755 G HN 1.091 nan 8.290 nan 0.000 0.731 756 L N 2.906 124.059 121.223 -0.116 0.000 2.578 756 L HA 0.312 4.640 4.340 -0.021 0.000 0.279 756 L C 1.561 178.357 176.870 -0.124 0.000 1.227 756 L CA 0.466 55.215 54.840 -0.151 0.000 0.900 756 L CB 0.379 42.270 42.059 -0.281 0.000 1.144 756 L HN 0.699 nan 8.230 nan 0.000 0.496 757 T N 0.361 114.851 114.554 -0.107 0.000 2.862 757 T HA 0.433 4.771 4.350 -0.021 0.000 0.276 757 T C 1.601 176.227 174.700 -0.122 0.000 0.974 757 T CA -0.688 61.352 62.100 -0.101 0.000 0.966 757 T CB 0.603 69.420 68.868 -0.085 0.000 1.072 757 T HN 0.394 nan 8.240 nan 0.000 0.538 758 I N 0.834 121.323 120.570 -0.135 0.000 2.208 758 I HA -0.143 4.015 4.170 -0.021 0.000 0.245 758 I C 3.009 179.043 176.117 -0.138 0.000 1.097 758 I CA 1.687 62.889 61.300 -0.163 0.000 1.363 758 I CB -0.799 37.064 38.000 -0.228 0.000 1.051 758 I HN 0.862 nan 8.210 nan 0.000 0.413 759 A N 0.398 123.148 122.820 -0.117 0.000 1.972 759 A HA -0.228 4.080 4.320 -0.021 0.000 0.219 759 A C 1.930 179.463 177.584 -0.084 0.000 1.169 759 A CA 1.985 53.965 52.037 -0.094 0.000 0.635 759 A CB -0.518 18.434 19.000 -0.079 0.000 0.810 759 A HN 0.355 nan 8.150 nan 0.000 0.446 760 D N -0.458 119.887 120.400 -0.090 0.000 2.117 760 D HA -0.122 4.505 4.640 -0.021 0.000 0.198 760 D C 2.156 178.400 176.300 -0.095 0.000 0.982 760 D CA 1.632 55.580 54.000 -0.086 0.000 0.828 760 D CB -0.626 40.117 40.800 -0.096 0.000 0.967 760 D HN 0.357 nan 8.370 nan 0.000 0.464 761 V N 0.710 120.551 119.914 -0.123 0.000 2.427 761 V HA -0.143 3.965 4.120 -0.021 0.000 0.248 761 V C 2.130 178.174 176.094 -0.084 0.000 1.051 761 V CA 2.140 64.369 62.300 -0.119 0.000 1.048 761 V CB -0.520 31.215 31.823 -0.147 0.000 0.666 761 V HN 0.129 nan 8.190 nan 0.000 0.456 762 A N 0.712 123.480 122.820 -0.086 0.000 1.902 762 A HA 0.005 4.312 4.320 -0.021 0.000 0.217 762 A C 2.432 179.985 177.584 -0.051 0.000 1.181 762 A CA 1.946 53.941 52.037 -0.069 0.000 0.623 762 A CB -1.597 17.370 19.000 -0.054 0.000 0.818 762 A HN 0.784 nan 8.150 nan 0.000 0.443 763 G N -0.864 107.908 108.800 -0.046 0.000 2.432 763 G HA2 -0.210 3.738 3.960 -0.021 0.000 0.219 763 G HA3 -0.210 3.738 3.960 -0.021 0.000 0.219 763 G C 1.483 176.371 174.900 -0.020 0.000 1.135 763 G CA 0.956 46.036 45.100 -0.033 0.000 0.767 763 G HN 0.624 nan 8.290 nan 0.000 0.550 764 E N -0.141 120.052 120.200 -0.011 0.000 2.072 764 E HA -0.097 4.240 4.350 -0.021 0.000 0.191 764 E C 2.868 179.524 176.600 0.093 0.000 0.985 764 E CA 1.295 57.707 56.400 0.021 0.000 0.801 764 E CB -0.141 29.599 29.700 0.067 0.000 0.750 764 E HN 0.377 nan 8.360 nan 0.000 0.452 765 V N -0.255 119.711 119.914 0.087 0.000 2.515 765 V HA -0.207 3.900 4.120 -0.021 0.000 0.250 765 V C 1.983 178.178 176.094 0.167 0.000 1.058 765 V CA 1.257 63.642 62.300 0.142 0.000 1.064 765 V CB -0.272 31.421 31.823 -0.217 0.000 0.675 765 V HN 0.177 nan 8.190 nan 0.000 0.461 766 M N 0.009 119.646 119.600 0.061 0.000 2.374 766 M HA -0.008 4.460 4.480 -0.021 0.000 0.264 766 M C 2.161 178.531 176.300 0.117 0.000 1.067 766 M CA 1.388 56.731 55.300 0.071 0.000 1.103 766 M CB -1.219 31.369 32.600 -0.019 0.000 1.402 766 M HN 0.409 nan 8.290 nan 0.000 0.444 767 V N -0.200 119.738 119.914 0.039 0.000 2.295 767 V HA -0.267 3.840 4.120 -0.021 0.000 0.246 767 V C 2.150 178.247 176.094 0.005 0.000 1.049 767 V CA 1.772 64.048 62.300 -0.040 0.000 1.024 767 V CB -0.851 30.858 31.823 -0.189 0.000 0.648 767 V HN 0.243 nan 8.190 nan 0.000 0.447 768 F N -0.219 119.838 119.950 0.179 0.000 2.161 768 F HA -0.223 4.292 4.527 -0.019 0.000 0.300 768 F C 2.472 178.386 175.800 0.190 0.000 1.089 768 F CA 2.146 60.265 58.000 0.198 0.000 1.282 768 F CB -0.627 38.514 39.000 0.235 0.000 1.010 768 F HN 0.239 nan 8.300 nan 0.000 0.485 769 H N -0.200 119.057 119.070 0.311 0.000 2.352 769 H HA -0.100 4.443 4.556 -0.020 0.000 0.299 769 H C 2.476 177.975 175.328 0.286 0.000 1.097 769 H CA 1.598 57.837 56.048 0.318 0.000 1.311 769 H CB -0.599 29.297 29.762 0.223 0.000 1.377 769 H HN 0.204 nan 8.280 nan 0.000 0.504 770 G N -0.123 108.882 108.800 0.341 0.000 2.432 770 G HA2 -0.263 3.685 3.960 -0.021 0.000 0.219 770 G HA3 -0.263 3.685 3.960 -0.021 0.000 0.219 770 G C 1.593 176.573 174.900 0.132 0.000 1.135 770 G CA 0.992 46.226 45.100 0.224 0.000 0.767 770 G HN 0.404 nan 8.290 nan 0.000 0.550 771 M N 0.492 120.164 119.600 0.121 0.000 2.254 771 M HA 0.149 4.616 4.480 -0.021 0.000 0.265 771 M C 2.832 179.118 176.300 -0.023 0.000 1.066 771 M CA 1.237 56.583 55.300 0.077 0.000 1.123 771 M CB 0.097 32.791 32.600 0.156 0.000 1.388 771 M HN 0.300 nan 8.290 nan 0.000 0.425 772 A N -0.621 122.119 122.820 -0.132 0.000 1.984 772 A HA 0.225 4.532 4.320 -0.021 0.000 0.214 772 A C 0.686 177.891 177.584 -0.631 0.000 1.173 772 A CA 0.569 52.319 52.037 -0.478 0.000 0.673 772 A CB 0.079 18.593 19.000 -0.809 0.000 0.830 772 A HN 0.318 nan 8.150 nan 0.000 0.453 779 K N 1.173 121.543 120.400 -0.051 0.000 2.556 779 K HA 0.410 4.717 4.320 -0.021 0.000 0.274 779 K C -0.860 175.708 176.600 -0.053 0.000 0.966 779 K CA -0.803 55.454 56.287 -0.049 0.000 0.865 779 K CB 1.634 34.107 32.500 -0.045 0.000 1.444 779 K HN -0.041 nan 8.250 nan 0.000 0.433 780 L N 1.583 122.780 121.223 -0.043 0.000 2.485 780 L HA 0.094 4.421 4.340 -0.021 0.000 0.275 780 L C 0.686 177.519 176.870 -0.062 0.000 1.207 780 L CA -0.094 54.731 54.840 -0.025 0.000 0.855 780 L CB 0.288 42.350 42.059 0.005 0.000 1.114 780 L HN 0.761 nan 8.230 nan 0.000 0.485 781 E N 2.763 122.907 120.200 -0.093 0.000 2.384 781 E HA -0.059 4.279 4.350 -0.021 0.000 0.266 781 E C -0.264 176.148 176.600 -0.313 0.000 1.012 781 E CA -0.278 55.956 56.400 -0.278 0.000 0.901 781 E CB 0.554 29.971 29.700 -0.470 0.000 0.967 781 E HN 0.388 nan 8.360 nan 0.000 0.435 782 N N 4.670 123.169 118.700 -0.335 0.000 2.485 782 N HA 0.135 4.862 4.740 -0.021 0.000 0.243 782 N C -1.361 173.907 175.510 -0.403 0.000 0.987 782 N CA -0.229 52.672 53.050 -0.247 0.000 0.940 782 N CB 0.153 38.556 38.487 -0.139 0.000 1.122 782 N HN 0.309 nan 8.380 nan 0.000 0.509 783 F N 0.256 120.072 119.950 -0.224 0.000 2.368 783 F HA 0.345 4.859 4.527 -0.022 0.000 0.308 783 F C 2.018 177.523 175.800 -0.491 0.000 1.198 783 F CA -0.568 57.136 58.000 -0.495 0.000 1.130 783 F CB 0.784 39.170 39.000 -1.024 0.000 1.300 783 F HN 0.484 nan 8.300 nan 0.000 0.537 784 G N 0.014 108.646 108.800 -0.280 0.000 3.562 784 G HA2 0.120 4.067 3.960 -0.021 0.000 0.279 784 G HA3 0.120 4.067 3.960 -0.021 0.000 0.279 784 G C 0.690 175.708 174.900 0.197 0.000 1.314 784 G CA -0.137 44.925 45.100 -0.063 0.000 1.189 784 G HN 0.569 nan 8.290 nan 0.000 0.562 785 F N -0.466 119.640 119.950 0.260 0.000 2.163 785 F HA -0.061 4.453 4.527 -0.022 0.000 0.297 785 F C 2.415 178.365 175.800 0.250 0.000 1.094 785 F CA 0.524 58.651 58.000 0.211 0.000 1.290 785 F CB 0.198 39.284 39.000 0.144 0.000 1.017 785 F HN 0.117 nan 8.300 nan 0.000 0.483 786 V N -1.607 118.497 119.914 0.316 0.000 2.500 786 V HA -0.008 4.099 4.120 -0.021 0.000 0.243 786 V C 0.328 176.484 176.094 0.103 0.000 1.039 786 V CA 0.886 63.243 62.300 0.094 0.000 1.053 786 V CB -0.352 31.340 31.823 -0.218 0.000 0.695 786 V HN 0.177 nan 8.190 nan 0.000 0.463 787 N N -1.176 117.537 118.700 0.022 0.000 2.229 787 N HA 0.278 5.006 4.740 -0.021 0.000 0.298 787 N C -1.217 174.169 175.510 -0.207 0.000 1.114 787 N CA -0.605 52.391 53.050 -0.089 0.000 0.776 787 N CB 2.009 40.517 38.487 0.036 0.000 1.501 787 N HN 0.266 nan 8.380 nan 0.000 0.474 788 Y N 2.024 122.026 120.300 -0.496 0.000 2.810 788 Y HA -0.006 4.531 4.550 -0.021 0.000 0.332 788 Y C 0.018 175.862 175.900 -0.093 0.000 1.243 788 Y CA 0.691 58.625 58.100 -0.278 0.000 1.537 788 Y CB 0.436 38.747 38.460 -0.249 0.000 1.265 788 Y HN 0.243 nan 8.280 nan 0.000 0.572 789 R N 7.063 127.135 120.500 -0.713 0.000 2.628 789 R HA 0.213 4.541 4.340 -0.021 0.000 0.288 789 R C -1.952 173.855 176.300 -0.822 0.000 0.980 789 R CA -1.841 53.927 56.100 -0.553 0.000 0.891 789 R CB 1.953 32.087 30.300 -0.276 0.000 1.188 789 R HN 0.491 nan 8.270 nan 0.000 0.450 790 P HA -0.207 nan 4.420 nan 0.000 0.218 790 P C 0.965 178.141 177.300 -0.207 0.000 1.165 790 P CA 1.658 64.587 63.100 -0.284 0.000 0.922 790 P CB 0.180 31.828 31.700 -0.087 0.000 0.794 791 G N -1.946 106.756 108.800 -0.162 0.000 3.141 791 G HA2 0.283 4.230 3.960 -0.021 0.000 0.218 791 G HA3 0.283 4.230 3.960 -0.021 0.000 0.218 791 G C 0.776 175.625 174.900 -0.086 0.000 1.170 791 G CA 0.374 45.414 45.100 -0.100 0.000 0.769 791 G HN 0.459 nan 8.290 nan 0.000 0.546 792 G N -0.100 108.619 108.800 -0.134 0.000 2.543 792 G HA2 0.429 4.376 3.960 -0.021 0.000 0.267 792 G HA3 0.429 4.376 3.960 -0.021 0.000 0.267 792 G C -0.263 174.642 174.900 0.009 0.000 1.406 792 G CA -0.471 44.582 45.100 -0.078 0.000 1.048 792 G HN 0.217 nan 8.290 nan 0.000 0.548 793 E N -1.311 118.890 120.200 0.001 0.000 2.437 793 E HA 0.064 4.402 4.350 -0.021 0.000 0.263 793 E C -0.708 175.988 176.600 0.160 0.000 1.030 793 E CA -0.191 56.260 56.400 0.086 0.000 0.934 793 E CB 0.211 29.961 29.700 0.083 0.000 0.943 793 E HN 0.312 nan 8.360 nan 0.000 0.444 794 Y N 4.330 124.675 120.300 0.075 0.000 2.511 794 Y HA 0.132 4.669 4.550 -0.021 0.000 0.332 794 Y C -0.376 175.537 175.900 0.021 0.000 1.177 794 Y CA 0.384 58.553 58.100 0.114 0.000 1.422 794 Y CB 0.478 38.997 38.460 0.098 0.000 1.271 794 Y HN 0.496 nan 8.280 nan 0.000 0.550 795 H N 7.638 126.334 119.070 -0.624 0.000 2.547 795 H HA 0.173 4.716 4.556 -0.021 0.000 0.342 795 H C 0.634 175.467 175.328 -0.824 0.000 1.048 795 H CA -0.694 55.081 56.048 -0.454 0.000 1.204 795 H CB 1.935 31.631 29.762 -0.109 0.000 1.493 795 H HN 0.803 nan 8.280 nan 0.000 0.511 796 M N 1.003 120.423 119.600 -0.300 0.000 2.149 796 M HA -0.091 4.377 4.480 -0.021 0.000 0.261 796 M C 0.212 176.479 176.300 -0.055 0.000 1.064 796 M CA 1.331 56.591 55.300 -0.068 0.000 1.102 796 M CB -0.365 32.317 32.600 0.136 0.000 1.369 796 M HN 0.468 nan 8.290 nan 0.000 0.408 797 N N 1.060 119.737 118.700 -0.039 0.000 2.405 797 N HA 0.396 5.124 4.740 -0.021 0.000 0.299 797 N C -0.585 174.838 175.510 -0.146 0.000 1.075 797 N CA -0.040 52.976 53.050 -0.056 0.000 0.884 797 N CB 1.971 40.456 38.487 -0.003 0.000 1.194 797 N HN 0.125 nan 8.380 nan 0.000 0.491 798 S N -0.054 115.501 115.700 -0.241 0.000 2.567 798 S HA 0.452 4.909 4.470 -0.021 0.000 0.270 798 S C -2.617 171.772 174.600 -0.352 0.000 1.152 798 S CA -0.974 56.983 58.200 -0.405 0.000 0.835 798 S CB 2.438 65.171 63.200 -0.777 0.000 1.115 798 S HN 0.061 nan 8.310 nan 0.000 0.459 799 P HA -0.179 nan 4.420 nan 0.000 0.215 799 P C 1.588 178.745 177.300 -0.238 0.000 1.157 799 P CA 1.833 64.798 63.100 -0.225 0.000 0.874 799 P CB -0.040 31.557 31.700 -0.173 0.000 0.790 800 E N -0.167 119.829 120.200 -0.341 0.000 2.058 800 E HA -0.228 4.110 4.350 -0.021 0.000 0.194 800 E C 1.977 178.387 176.600 -0.318 0.000 0.997 800 E CA 1.272 57.490 56.400 -0.304 0.000 0.801 800 E CB -1.426 28.032 29.700 -0.403 0.000 0.746 800 E HN 0.184 nan 8.360 nan 0.000 0.450 801 M N 1.728 120.976 119.600 -0.588 0.000 2.080 801 M HA -0.130 4.338 4.480 -0.021 0.000 0.260 801 M C 2.127 178.442 176.300 0.026 0.000 1.068 801 M CA 1.764 56.879 55.300 -0.309 0.000 1.109 801 M CB -0.507 31.886 32.600 -0.344 0.000 1.342 801 M HN 0.021 nan 8.290 nan 0.000 0.405 802 S N 0.944 116.602 115.700 -0.071 0.000 2.368 802 S HA -0.133 4.325 4.470 -0.021 0.000 0.225 802 S C 1.796 176.380 174.600 -0.026 0.000 1.030 802 S CA 1.547 59.720 58.200 -0.044 0.000 0.999 802 S CB -0.204 62.940 63.200 -0.094 0.000 0.844 802 S HN 0.536 nan 8.310 nan 0.000 0.459 803 K N 1.339 121.718 120.400 -0.034 0.000 2.148 803 K HA -0.032 4.275 4.320 -0.021 0.000 0.204 803 K C 2.536 179.142 176.600 0.009 0.000 1.050 803 K CA 1.376 57.654 56.287 -0.015 0.000 0.942 803 K CB -0.193 32.285 32.500 -0.036 0.000 0.724 803 K HN 0.464 nan 8.250 nan 0.000 0.446 804 S N 1.205 116.950 115.700 0.075 0.000 2.387 804 S HA -0.105 4.353 4.470 -0.021 0.000 0.226 804 S C 2.004 176.643 174.600 0.065 0.000 1.026 804 S CA 0.564 58.834 58.200 0.116 0.000 0.972 804 S CB -0.336 63.035 63.200 0.286 0.000 0.814 804 S HN 0.160 nan 8.310 nan 0.000 0.477 805 L N 1.870 123.085 121.223 -0.013 0.000 2.042 805 L HA -0.035 4.293 4.340 -0.021 0.000 0.210 805 L C 2.393 179.234 176.870 -0.048 0.000 1.076 805 L CA 2.195 56.887 54.840 -0.246 0.000 0.749 805 L CB -1.291 40.469 42.059 -0.499 0.000 0.893 805 L HN 0.455 nan 8.230 nan 0.000 0.432 806 H N -0.493 118.512 119.070 -0.108 0.000 2.423 806 H HA -0.089 4.454 4.556 -0.021 0.000 0.297 806 H C 2.123 177.413 175.328 -0.063 0.000 1.075 806 H CA 1.867 57.861 56.048 -0.091 0.000 1.342 806 H CB 0.166 29.859 29.762 -0.116 0.000 1.395 806 H HN 0.342 nan 8.280 nan 0.000 0.530 807 K N -0.578 119.748 120.400 -0.124 0.000 2.167 807 K HA 0.053 4.360 4.320 -0.021 0.000 0.203 807 K C 2.327 178.935 176.600 0.013 0.000 1.052 807 K CA 0.671 56.828 56.287 -0.216 0.000 0.956 807 K CB 0.113 32.200 32.500 -0.688 0.000 0.735 807 K HN 0.278 nan 8.250 nan 0.000 0.451 808 A N 0.969 123.872 122.820 0.138 0.000 1.877 808 A HA -0.134 4.173 4.320 -0.021 0.000 0.216 808 A C 2.296 180.075 177.584 0.326 0.000 1.186 808 A CA 1.411 53.620 52.037 0.287 0.000 0.620 808 A CB -0.674 18.508 19.000 0.304 0.000 0.822 808 A HN 0.102 nan 8.150 nan 0.000 0.443 809 V N -0.587 119.462 119.914 0.225 0.000 2.667 809 V HA -0.095 4.013 4.120 -0.021 0.000 0.252 809 V C 2.824 178.914 176.094 -0.007 0.000 1.065 809 V CA 1.609 64.009 62.300 0.166 0.000 1.083 809 V CB -0.417 31.464 31.823 0.097 0.000 0.692 809 V HN 0.612 nan 8.190 nan 0.000 0.468 810 A N -0.473 122.276 122.820 -0.117 0.000 1.930 810 A HA 0.086 4.394 4.320 -0.021 0.000 0.215 810 A C 2.343 179.928 177.584 0.001 0.000 1.176 810 A CA 1.480 53.434 52.037 -0.138 0.000 0.632 810 A CB -0.501 18.359 19.000 -0.233 0.000 0.819 810 A HN 0.546 nan 8.150 nan 0.000 0.445 811 A N -2.595 120.278 122.820 0.088 0.000 1.969 811 A HA 0.344 4.651 4.320 -0.021 0.000 0.218 811 A C 0.724 178.440 177.584 0.220 0.000 1.169 811 A CA 1.599 53.724 52.037 0.145 0.000 0.635 811 A CB -0.176 18.943 19.000 0.199 0.000 0.810 811 A HN 0.970 nan 8.150 nan 0.000 0.445 826 H N 0.550 119.663 119.070 0.073 0.000 2.457 826 H HA -0.079 4.464 4.556 -0.021 0.000 0.294 826 H C 1.195 176.578 175.328 0.091 0.000 1.064 826 H CA 1.149 57.243 56.048 0.076 0.000 1.330 826 H CB 0.036 29.846 29.762 0.080 0.000 1.395 826 H HN 0.420 nan 8.280 nan 0.000 0.541 827 Y N 1.700 122.029 120.300 0.049 0.000 2.242 827 Y HA -0.153 4.384 4.550 -0.021 0.000 0.291 827 Y C 2.401 178.335 175.900 0.056 0.000 1.137 827 Y CA 1.274 59.357 58.100 -0.029 0.000 1.181 827 Y CB 0.130 38.382 38.460 -0.347 0.000 0.989 827 Y HN 0.153 nan 8.280 nan 0.000 0.527 828 E N -0.186 120.061 120.200 0.079 0.000 2.038 828 E HA -0.236 4.101 4.350 -0.021 0.000 0.195 828 E C 2.216 178.772 176.600 -0.073 0.000 1.000 828 E CA 1.411 57.810 56.400 -0.002 0.000 0.803 828 E CB -0.354 29.345 29.700 -0.001 0.000 0.750 828 E HN 0.388 nan 8.360 nan 0.000 0.448 829 L N 0.276 121.471 121.223 -0.046 0.000 2.187 829 L HA -0.216 4.112 4.340 -0.021 0.000 0.213 829 L C 2.407 179.194 176.870 -0.137 0.000 1.100 829 L CA 1.377 56.147 54.840 -0.118 0.000 0.765 829 L CB -0.420 41.619 42.059 -0.033 0.000 0.904 829 L HN 0.340 nan 8.230 nan 0.000 0.437 830 Y N 0.850 121.064 120.300 -0.143 0.000 2.206 830 Y HA -0.238 4.300 4.550 -0.021 0.000 0.292 830 Y C 2.716 178.519 175.900 -0.161 0.000 1.123 830 Y CA 1.467 59.514 58.100 -0.088 0.000 1.142 830 Y CB -0.290 38.040 38.460 -0.218 0.000 1.006 830 Y HN -0.060 nan 8.280 nan 0.000 0.518 831 R N 0.711 120.905 120.500 -0.510 0.000 2.200 831 R HA -0.146 4.181 4.340 -0.021 0.000 0.234 831 R C 2.097 178.199 176.300 -0.331 0.000 1.127 831 R CA 1.810 57.608 56.100 -0.503 0.000 0.989 831 R CB -0.334 29.798 30.300 -0.280 0.000 0.869 831 R HN 0.571 nan 8.270 nan 0.000 0.459 832 Q N -1.854 117.776 119.800 -0.283 0.000 2.402 832 Q HA 0.000 4.328 4.340 -0.021 0.000 0.206 832 Q C 1.077 176.946 176.000 -0.219 0.000 0.919 832 Q CA 0.408 56.068 55.803 -0.239 0.000 0.923 832 Q CB 0.221 28.811 28.738 -0.247 0.000 1.048 832 Q HN 0.485 nan 8.270 nan 0.000 0.515 833 Y N 0.165 120.373 120.300 -0.153 0.000 2.242 833 Y HA -0.227 4.311 4.550 -0.020 0.000 0.291 833 Y C 1.973 177.835 175.900 -0.064 0.000 1.137 833 Y CA 0.832 58.884 58.100 -0.079 0.000 1.181 833 Y CB 0.220 38.635 38.460 -0.076 0.000 0.989 833 Y HN 0.099 nan 8.280 nan 0.000 0.527 834 L N -0.486 120.714 121.223 -0.038 0.000 2.068 834 L HA -0.163 4.164 4.340 -0.021 0.000 0.204 834 L C 2.338 179.142 176.870 -0.110 0.000 1.076 834 L CA 1.284 56.089 54.840 -0.060 0.000 0.753 834 L CB -0.474 41.471 42.059 -0.189 0.000 0.910 834 L HN 0.051 nan 8.230 nan 0.000 0.439 835 K N 0.079 120.383 120.400 -0.160 0.000 2.097 835 K HA -0.160 4.148 4.320 -0.021 0.000 0.205 835 K C 1.544 178.043 176.600 -0.168 0.000 1.050 835 K CA 1.178 57.352 56.287 -0.190 0.000 0.938 835 K CB 0.041 32.431 32.500 -0.184 0.000 0.718 835 K HN 0.141 nan 8.250 nan 0.000 0.442 836 D N 0.844 121.167 120.400 -0.128 0.000 2.389 836 D HA -0.145 4.483 4.640 -0.021 0.000 0.221 836 D C 0.634 176.834 176.300 -0.167 0.000 0.974 836 D CA 0.523 54.456 54.000 -0.111 0.000 0.923 836 D CB -0.089 40.678 40.800 -0.054 0.000 0.892 836 D HN 0.162 nan 8.370 nan 0.000 0.518 837 R N 1.903 122.251 120.500 -0.253 0.000 2.734 837 R HA 0.067 4.394 4.340 -0.021 0.000 0.266 837 R C -2.463 173.574 176.300 -0.437 0.000 1.044 837 R CA -0.711 55.040 56.100 -0.581 0.000 1.128 837 R CB -0.067 29.855 30.300 -0.630 0.000 1.010 837 R HN -0.052 nan 8.270 nan 0.000 0.461 838 P HA 0.089 nan 4.420 nan 0.000 0.279 838 P C -0.461 176.760 177.300 -0.131 0.000 1.276 838 P CA -0.642 62.347 63.100 -0.185 0.000 0.801 838 P CB 0.481 32.143 31.700 -0.063 0.000 1.127 839 V N 1.273 121.181 119.914 -0.010 0.000 2.557 839 V HA -0.018 4.089 4.120 -0.021 0.000 0.301 839 V C 1.340 177.437 176.094 0.004 0.000 1.026 839 V CA 1.351 63.641 62.300 -0.016 0.000 1.137 839 V CB -0.198 31.618 31.823 -0.012 0.000 0.917 839 V HN 0.755 nan 8.190 nan 0.000 0.484 840 T N 2.951 117.521 114.554 0.026 0.000 3.176 840 T HA 0.401 4.738 4.350 -0.021 0.000 0.259 840 T C 0.437 175.181 174.700 0.074 0.000 0.978 840 T CA 0.666 62.816 62.100 0.082 0.000 1.050 840 T CB 0.647 69.611 68.868 0.159 0.000 1.136 840 T HN 0.753 nan 8.240 nan 0.000 0.465 841 A N 0.423 123.285 122.820 0.070 0.000 2.322 841 A HA 0.775 5.083 4.320 -0.021 0.000 0.327 841 A C 0.968 178.543 177.584 -0.014 0.000 1.134 841 A CA -0.581 51.474 52.037 0.030 0.000 0.831 841 A CB 0.599 19.620 19.000 0.036 0.000 1.288 841 A HN 0.300 nan 8.150 nan 0.000 0.472 842 L N 0.329 121.500 121.223 -0.086 0.000 2.079 842 L HA -0.220 4.108 4.340 -0.021 0.000 0.210 842 L C 2.819 179.649 176.870 -0.068 0.000 1.081 842 L CA 2.098 56.881 54.840 -0.094 0.000 0.752 842 L CB -0.443 41.528 42.059 -0.147 0.000 0.896 842 L HN 0.968 nan 8.230 nan 0.000 0.433 843 R N -0.259 120.183 120.500 -0.097 0.000 2.193 843 R HA -0.172 4.156 4.340 -0.021 0.000 0.229 843 R C 1.235 177.665 176.300 0.217 0.000 1.110 843 R CA 1.649 57.729 56.100 -0.033 0.000 0.988 843 R CB -0.628 29.575 30.300 -0.162 0.000 0.871 843 R HN 0.282 nan 8.270 nan 0.000 0.458 844 D N 1.409 121.949 120.400 0.232 0.000 2.263 844 D HA -0.085 4.543 4.640 -0.021 0.000 0.208 844 D C 1.801 178.156 176.300 0.092 0.000 0.971 844 D CA 0.890 55.008 54.000 0.198 0.000 0.867 844 D CB -0.024 40.823 40.800 0.078 0.000 0.929 844 D HN 0.329 nan 8.370 nan 0.000 0.492 845 L N -0.197 121.058 121.223 0.053 0.000 2.554 845 L HA 0.101 4.429 4.340 -0.021 0.000 0.226 845 L C 0.752 177.634 176.870 0.020 0.000 1.137 845 L CA 0.198 55.049 54.840 0.018 0.000 0.863 845 L CB -0.026 42.030 42.059 -0.005 0.000 0.985 845 L HN -0.072 nan 8.230 nan 0.000 0.451 846 L N -0.950 120.298 121.223 0.042 0.000 2.334 846 L HA 0.514 4.842 4.340 -0.021 0.000 0.270 846 L C -0.787 176.075 176.870 -0.013 0.000 1.018 846 L CA -0.536 54.308 54.840 0.006 0.000 0.811 846 L CB 1.723 43.767 42.059 -0.024 0.000 1.271 846 L HN -0.154 nan 8.230 nan 0.000 0.443 847 D N -0.702 119.640 120.400 -0.098 0.000 2.664 847 D HA 0.466 5.093 4.640 -0.021 0.000 0.292 847 D C -1.348 174.807 176.300 -0.242 0.000 1.214 847 D CA -0.432 53.428 54.000 -0.233 0.000 0.932 847 D CB 1.496 42.254 40.800 -0.070 0.000 1.420 847 D HN 0.128 nan 8.370 nan 0.000 0.471 848 F N 0.717 120.786 119.950 0.198 0.000 2.379 848 F HA 0.427 4.942 4.527 -0.021 0.000 0.332 848 F C 0.852 176.752 175.800 0.167 0.000 1.096 848 F CA -0.732 57.380 58.000 0.188 0.000 1.105 848 F CB 0.770 39.926 39.000 0.261 0.000 1.189 848 F HN 0.091 nan 8.300 nan 0.000 0.515 849 N N 1.789 120.691 118.700 0.335 0.000 2.762 849 N HA 0.390 5.117 4.740 -0.021 0.000 0.252 849 N C -0.901 174.715 175.510 0.178 0.000 1.269 849 N CA -0.276 52.900 53.050 0.211 0.000 0.799 849 N CB 0.765 39.342 38.487 0.149 0.000 1.173 849 N HN 0.727 nan 8.380 nan 0.000 0.516 850 A N 1.409 124.317 122.820 0.147 0.000 2.498 850 A HA 0.145 4.452 4.320 -0.021 0.000 0.239 850 A C 0.856 178.472 177.584 0.055 0.000 1.068 850 A CA 0.245 52.321 52.037 0.065 0.000 0.766 850 A CB 0.232 19.178 19.000 -0.090 0.000 1.003 850 A HN 0.704 nan 8.150 nan 0.000 0.497 851 D N 0.547 120.988 120.400 0.068 0.000 2.431 851 D HA 0.142 4.769 4.640 -0.021 0.000 0.213 851 D C 0.252 176.544 176.300 -0.013 0.000 1.130 851 D CA 0.286 54.318 54.000 0.053 0.000 0.834 851 D CB 0.192 41.055 40.800 0.105 0.000 0.985 851 D HN 0.557 nan 8.370 nan 0.000 0.504 852 Q N 0.001 119.751 119.800 -0.083 0.000 2.456 852 Q HA 0.497 4.824 4.340 -0.021 0.000 0.284 852 Q C -2.733 173.172 176.000 -0.159 0.000 1.061 852 Q CA -1.882 53.823 55.803 -0.165 0.000 0.799 852 Q CB 2.803 31.328 28.738 -0.354 0.000 1.445 852 Q HN -0.078 nan 8.270 nan 0.000 0.411 853 P HA 0.156 nan 4.420 nan 0.000 0.272 853 P C -1.342 175.876 177.300 -0.137 0.000 1.223 853 P CA -0.236 62.796 63.100 -0.113 0.000 0.784 853 P CB 0.518 32.169 31.700 -0.081 0.000 0.923 854 A N 2.509 125.261 122.820 -0.113 0.000 2.483 854 A HA 0.410 4.718 4.320 -0.021 0.000 0.238 854 A C 0.556 178.100 177.584 -0.067 0.000 1.070 854 A CA -0.163 51.817 52.037 -0.094 0.000 0.770 854 A CB -0.731 18.245 19.000 -0.039 0.000 1.008 854 A HN 0.602 nan 8.150 nan 0.000 0.497 855 I N -0.308 120.228 120.570 -0.057 0.000 2.982 855 I HA 0.654 4.812 4.170 -0.021 0.000 0.312 855 I C 0.449 176.556 176.117 -0.017 0.000 1.041 855 I CA -0.770 60.504 61.300 -0.043 0.000 1.053 855 I CB 1.698 39.664 38.000 -0.056 0.000 1.248 855 I HN 0.525 nan 8.210 nan 0.000 0.471 856 S N 2.033 117.724 115.700 -0.015 0.000 2.560 856 S HA 0.139 4.597 4.470 -0.021 0.000 0.284 856 S C 1.036 175.635 174.600 -0.002 0.000 1.327 856 S CA -0.465 57.731 58.200 -0.006 0.000 1.055 856 S CB 0.424 63.619 63.200 -0.009 0.000 0.868 856 S HN 0.726 nan 8.310 nan 0.000 0.506 857 L N 3.341 124.567 121.223 0.005 0.000 2.127 857 L HA -0.100 4.228 4.340 -0.021 0.000 0.211 857 L C 2.159 179.028 176.870 -0.002 0.000 1.089 857 L CA 1.505 56.349 54.840 0.007 0.000 0.757 857 L CB -0.459 41.605 42.059 0.009 0.000 0.899 857 L HN 0.771 nan 8.230 nan 0.000 0.434 858 E N -0.127 120.068 120.200 -0.007 0.000 2.333 858 E HA -0.222 4.116 4.350 -0.021 0.000 0.198 858 E C 1.629 178.221 176.600 -0.013 0.000 1.007 858 E CA 0.813 57.206 56.400 -0.013 0.000 0.845 858 E CB -0.104 29.587 29.700 -0.014 0.000 0.766 858 E HN 0.662 nan 8.360 nan 0.000 0.507 859 E N 0.708 120.902 120.200 -0.010 0.000 2.371 859 E HA 0.022 4.360 4.350 -0.021 0.000 0.194 859 E C 0.422 177.019 176.600 -0.005 0.000 1.012 859 E CA 0.031 56.424 56.400 -0.011 0.000 0.860 859 E CB 0.488 30.180 29.700 -0.014 0.000 0.811 859 E HN -0.034 nan 8.360 nan 0.000 0.502 860 V N 3.297 123.210 119.914 -0.001 0.000 2.649 860 V HA -0.024 4.083 4.120 -0.021 0.000 0.292 860 V C 0.496 176.588 176.094 -0.003 0.000 1.055 860 V CA -0.445 61.859 62.300 0.006 0.000 1.023 860 V CB 1.017 32.848 31.823 0.015 0.000 0.992 860 V HN 0.241 nan 8.190 nan 0.000 0.480 861 E N 3.096 123.295 120.200 -0.001 0.000 2.459 861 E HA 0.117 4.455 4.350 -0.021 0.000 0.264 861 E C 0.237 176.825 176.600 -0.021 0.000 1.055 861 E CA -0.102 56.290 56.400 -0.013 0.000 0.957 861 E CB 0.349 30.042 29.700 -0.012 0.000 0.952 861 E HN 0.726 nan 8.360 nan 0.000 0.448 862 S N 1.640 117.320 115.700 -0.034 0.000 2.585 862 S HA 0.008 4.466 4.470 -0.021 0.000 0.273 862 S C 1.164 175.733 174.600 -0.051 0.000 1.339 862 S CA -0.537 57.634 58.200 -0.049 0.000 1.028 862 S CB 1.501 64.666 63.200 -0.059 0.000 0.906 862 S HN 0.490 nan 8.310 nan 0.000 0.528 863 V N 2.196 122.070 119.914 -0.067 0.000 2.380 863 V HA -0.205 3.902 4.120 -0.021 0.000 0.251 863 V C 2.573 178.655 176.094 -0.020 0.000 1.063 863 V CA 2.500 64.772 62.300 -0.047 0.000 1.055 863 V CB -1.282 30.462 31.823 -0.133 0.000 0.657 863 V HN 0.913 nan 8.190 nan 0.000 0.455 864 E N -0.339 119.832 120.200 -0.048 0.000 2.110 864 E HA -0.179 4.159 4.350 -0.021 0.000 0.193 864 E C 2.419 178.998 176.600 -0.035 0.000 0.988 864 E CA 1.464 57.863 56.400 -0.002 0.000 0.804 864 E CB -0.395 29.290 29.700 -0.025 0.000 0.745 864 E HN 0.528 nan 8.360 nan 0.000 0.458 865 S N -0.443 115.224 115.700 -0.055 0.000 2.387 865 S HA -0.038 4.419 4.470 -0.021 0.000 0.226 865 S C 1.857 176.391 174.600 -0.109 0.000 1.026 865 S CA 0.625 58.785 58.200 -0.067 0.000 0.972 865 S CB -0.115 63.056 63.200 -0.050 0.000 0.814 865 S HN 0.177 nan 8.310 nan 0.000 0.477 866 I N 0.677 121.167 120.570 -0.134 0.000 2.286 866 I HA -0.059 4.099 4.170 -0.021 0.000 0.245 866 I C 2.279 178.048 176.117 -0.579 0.000 1.104 866 I CA 0.603 61.767 61.300 -0.227 0.000 1.397 866 I CB -0.291 37.629 38.000 -0.134 0.000 1.072 866 I HN 0.160 nan 8.210 nan 0.000 0.417 867 V N 1.436 121.030 119.914 -0.534 0.000 2.568 867 V HA -0.279 3.828 4.120 -0.021 0.000 0.253 867 V C 2.313 178.110 176.094 -0.495 0.000 1.072 867 V CA 1.757 63.644 62.300 -0.690 0.000 1.084 867 V CB -0.601 31.134 31.823 -0.147 0.000 0.676 867 V HN 0.402 nan 8.190 nan 0.000 0.469 868 K N -0.295 119.935 120.400 -0.283 0.000 2.360 868 K HA -0.118 4.189 4.320 -0.021 0.000 0.201 868 K C 1.973 178.494 176.600 -0.133 0.000 1.046 868 K CA 0.898 57.087 56.287 -0.164 0.000 0.945 868 K CB -0.210 32.228 32.500 -0.103 0.000 0.750 868 K HN 0.468 nan 8.250 nan 0.000 0.464 869 R N 0.046 120.443 120.500 -0.172 0.000 2.299 869 R HA 0.125 4.453 4.340 -0.021 0.000 0.197 869 R C 0.452 176.896 176.300 0.240 0.000 0.971 869 R CA 0.041 56.145 56.100 0.008 0.000 1.030 869 R CB 0.114 30.504 30.300 0.149 0.000 0.932 869 R HN 0.068 nan 8.270 nan 0.000 0.477 870 F N -0.012 119.996 119.950 0.095 0.000 2.384 870 F HA 0.244 4.759 4.527 -0.021 0.000 0.338 870 F C 0.421 176.206 175.800 -0.025 0.000 1.103 870 F CA -1.144 56.922 58.000 0.110 0.000 1.157 870 F CB 1.004 39.909 39.000 -0.158 0.000 1.167 870 F HN -0.087 nan 8.300 nan 0.000 0.529 871 C N 1.512 120.983 119.300 0.286 0.000 2.626 871 C HA 0.264 4.712 4.460 -0.021 0.000 0.310 871 C C 1.112 176.234 174.990 0.220 0.000 1.191 871 C CA -0.595 58.504 59.018 0.135 0.000 1.517 871 C CB 1.642 29.426 27.740 0.074 0.000 2.102 871 C HN 0.945 nan 8.230 nan 0.000 0.479 872 T N 0.602 115.238 114.554 0.135 0.000 3.035 872 T HA 0.349 4.687 4.350 -0.021 0.000 0.259 872 T C 0.909 175.684 174.700 0.124 0.000 1.078 872 T CA 1.819 64.037 62.100 0.197 0.000 1.132 872 T CB -0.510 68.449 68.868 0.151 0.000 0.900 872 T HN 1.594 nan 8.240 nan 0.000 0.480 873 G N -0.109 108.730 108.800 0.064 0.000 2.819 873 G HA2 0.033 3.980 3.960 -0.021 0.000 0.682 873 G HA3 0.033 3.980 3.960 -0.021 0.000 0.682 873 G C 0.104 175.022 174.900 0.031 0.000 1.481 873 G CA -0.579 44.547 45.100 0.043 0.000 0.904 873 G HN 0.648 nan 8.290 nan 0.000 0.563 874 G N 0.203 109.025 108.800 0.036 0.000 2.519 874 G HA2 0.557 4.505 3.960 -0.021 0.000 0.306 874 G HA3 0.557 4.505 3.960 -0.021 0.000 0.306 874 G C 0.340 175.278 174.900 0.063 0.000 0.965 874 G CA -0.252 44.880 45.100 0.053 0.000 1.291 874 G HN 0.693 nan 8.290 nan 0.000 0.450 875 M N 2.723 122.355 119.600 0.053 0.000 2.205 875 M HA 0.260 4.728 4.480 -0.021 0.000 0.344 875 M C 0.754 177.170 176.300 0.194 0.000 1.085 875 M CA -0.588 54.762 55.300 0.084 0.000 1.001 875 M CB 1.958 34.586 32.600 0.046 0.000 1.626 875 M HN 0.510 nan 8.290 nan 0.000 0.442 876 S N 2.508 118.308 115.700 0.166 0.000 2.568 876 S HA 0.104 4.561 4.470 -0.021 0.000 0.282 876 S C 0.903 175.607 174.600 0.174 0.000 1.338 876 S CA -0.651 57.654 58.200 0.174 0.000 1.045 876 S CB 0.742 63.998 63.200 0.093 0.000 0.873 876 S HN 0.832 nan 8.310 nan 0.000 0.516 877 L N 3.397 124.616 121.223 -0.007 0.000 2.042 877 L HA 0.051 4.379 4.340 -0.021 0.000 0.210 877 L C 2.507 179.344 176.870 -0.055 0.000 1.076 877 L CA 2.318 57.042 54.840 -0.193 0.000 0.749 877 L CB -1.189 40.642 42.059 -0.380 0.000 0.893 877 L HN 1.005 nan 8.230 nan 0.000 0.432 878 G N -1.387 107.383 108.800 -0.050 0.000 2.418 878 G HA2 -0.283 3.664 3.960 -0.021 0.000 0.217 878 G HA3 -0.283 3.664 3.960 -0.021 0.000 0.217 878 G C 1.628 176.523 174.900 -0.009 0.000 1.158 878 G CA 0.735 45.812 45.100 -0.039 0.000 0.771 878 G HN 0.592 nan 8.290 nan 0.000 0.545 879 A N 0.072 122.901 122.820 0.016 0.000 1.883 879 A HA 0.180 4.487 4.320 -0.021 0.000 0.217 879 A C 1.351 178.952 177.584 0.028 0.000 1.186 879 A CA 0.683 52.735 52.037 0.025 0.000 0.624 879 A CB -0.324 18.700 19.000 0.040 0.000 0.822 879 A HN 0.330 nan 8.150 nan 0.000 0.444 880 L N 0.640 121.897 121.223 0.056 0.000 2.343 880 L HA 0.310 4.637 4.340 -0.021 0.000 0.275 880 L C 0.823 177.701 176.870 0.014 0.000 1.056 880 L CA -0.613 54.257 54.840 0.050 0.000 0.804 880 L CB 1.580 43.708 42.059 0.115 0.000 1.203 880 L HN 0.415 nan 8.230 nan 0.000 0.440 881 S N 1.429 117.108 115.700 -0.035 0.000 2.576 881 S HA 0.044 4.501 4.470 -0.021 0.000 0.272 881 S C 1.117 175.661 174.600 -0.093 0.000 1.352 881 S CA -0.410 57.738 58.200 -0.086 0.000 1.021 881 S CB 0.735 63.853 63.200 -0.137 0.000 0.887 881 S HN 0.801 nan 8.310 nan 0.000 0.542 882 R N 0.810 121.234 120.500 -0.127 0.000 2.115 882 R HA -0.099 4.228 4.340 -0.021 0.000 0.230 882 R C 1.359 177.604 176.300 -0.092 0.000 1.111 882 R CA 1.550 57.591 56.100 -0.098 0.000 0.976 882 R CB -0.611 29.581 30.300 -0.181 0.000 0.870 882 R HN 0.671 nan 8.270 nan 0.000 0.445 883 E N 1.651 121.722 120.200 -0.217 0.000 2.038 883 E HA -0.158 4.180 4.350 -0.021 0.000 0.195 883 E C 2.152 178.327 176.600 -0.708 0.000 1.000 883 E CA 2.099 58.276 56.400 -0.370 0.000 0.803 883 E CB -0.301 29.080 29.700 -0.532 0.000 0.750 883 E HN 0.528 nan 8.360 nan 0.000 0.448 884 A N -0.235 122.127 122.820 -0.765 0.000 1.898 884 A HA -0.202 4.105 4.320 -0.021 0.000 0.216 884 A C 2.039 179.561 177.584 -0.103 0.000 1.181 884 A CA 1.915 53.652 52.037 -0.500 0.000 0.620 884 A CB -0.734 18.127 19.000 -0.231 0.000 0.819 884 A HN 0.400 nan 8.150 nan 0.000 0.442 885 H N -0.613 118.384 119.070 -0.121 0.000 2.333 885 H HA -0.027 4.517 4.556 -0.021 0.000 0.302 885 H C 2.046 177.381 175.328 0.011 0.000 1.075 885 H CA 1.833 57.868 56.048 -0.022 0.000 1.348 885 H CB 0.065 29.825 29.762 -0.004 0.000 1.393 885 H HN 0.568 nan 8.280 nan 0.000 0.509 886 E N -0.817 119.495 120.200 0.186 0.000 2.106 886 E HA -0.118 4.220 4.350 -0.021 0.000 0.192 886 E C 2.075 178.733 176.600 0.096 0.000 0.984 886 E CA 1.420 57.910 56.400 0.149 0.000 0.806 886 E CB 0.144 29.925 29.700 0.136 0.000 0.750 886 E HN 0.443 nan 8.360 nan 0.000 0.458 887 T N 1.384 115.987 114.554 0.081 0.000 2.746 887 T HA -0.129 4.209 4.350 -0.021 0.000 0.267 887 T C 1.881 176.653 174.700 0.119 0.000 1.039 887 T CA 0.818 62.999 62.100 0.135 0.000 1.142 887 T CB -0.160 68.865 68.868 0.261 0.000 0.866 887 T HN 0.096 nan 8.240 nan 0.000 0.444 888 L N 0.733 122.010 121.223 0.090 0.000 2.017 888 L HA -0.120 4.207 4.340 -0.021 0.000 0.208 888 L C 3.100 180.005 176.870 0.058 0.000 1.073 888 L CA 1.338 56.224 54.840 0.078 0.000 0.745 888 L CB -0.815 41.261 42.059 0.027 0.000 0.894 888 L HN 0.245 nan 8.230 nan 0.000 0.432 889 A N 0.559 123.401 122.820 0.038 0.000 1.865 889 A HA -0.224 4.084 4.320 -0.021 0.000 0.217 889 A C 2.212 179.825 177.584 0.049 0.000 1.191 889 A CA 1.838 53.901 52.037 0.043 0.000 0.623 889 A CB -0.780 18.266 19.000 0.077 0.000 0.826 889 A HN 0.355 nan 8.150 nan 0.000 0.444 890 I N -0.307 120.300 120.570 0.060 0.000 2.208 890 I HA -0.308 3.850 4.170 -0.021 0.000 0.245 890 I C 2.996 179.141 176.117 0.047 0.000 1.097 890 I CA 1.065 62.396 61.300 0.052 0.000 1.363 890 I CB -0.394 37.639 38.000 0.055 0.000 1.051 890 I HN 0.384 nan 8.210 nan 0.000 0.413 891 A N 0.842 123.700 122.820 0.063 0.000 1.865 891 A HA -0.236 4.072 4.320 -0.021 0.000 0.217 891 A C 2.311 179.914 177.584 0.033 0.000 1.191 891 A CA 1.730 53.804 52.037 0.063 0.000 0.623 891 A CB -0.491 18.576 19.000 0.112 0.000 0.826 891 A HN 0.284 nan 8.150 nan 0.000 0.444 892 M N 0.293 119.909 119.600 0.027 0.000 2.159 892 M HA -0.102 4.366 4.480 -0.021 0.000 0.263 892 M C 1.599 177.883 176.300 -0.026 0.000 1.063 892 M CA 1.181 56.467 55.300 -0.024 0.000 1.110 892 M CB -1.808 30.773 32.600 -0.031 0.000 1.374 892 M HN 0.409 nan 8.290 nan 0.000 0.411 893 N N 0.272 118.969 118.700 -0.004 0.000 2.188 893 N HA -0.091 4.637 4.740 -0.021 0.000 0.184 893 N C 1.822 177.331 175.510 -0.002 0.000 1.018 893 N CA 0.905 53.953 53.050 -0.004 0.000 0.858 893 N CB -0.342 38.149 38.487 0.008 0.000 0.989 893 N HN 0.408 nan 8.380 nan 0.000 0.426 894 R N 0.568 121.071 120.500 0.006 0.000 2.096 894 R HA 0.020 4.348 4.340 -0.021 0.000 0.235 894 R C 2.042 178.347 176.300 0.009 0.000 1.127 894 R CA 0.749 56.856 56.100 0.012 0.000 0.968 894 R CB -0.324 29.987 30.300 0.018 0.000 0.861 894 R HN 0.232 nan 8.270 nan 0.000 0.440 895 L N -0.640 120.571 121.223 -0.020 0.000 2.376 895 L HA 0.013 4.341 4.340 -0.021 0.000 0.219 895 L C 1.338 178.195 176.870 -0.021 0.000 1.133 895 L CA 0.796 55.617 54.840 -0.032 0.000 0.816 895 L CB -0.212 41.786 42.059 -0.102 0.000 0.933 895 L HN 0.494 nan 8.230 nan 0.000 0.449 896 G N -0.391 108.394 108.800 -0.025 0.000 2.153 896 G HA2 -0.286 3.661 3.960 -0.021 0.000 0.252 896 G HA3 -0.286 3.661 3.960 -0.021 0.000 0.252 896 G C 0.419 175.287 174.900 -0.054 0.000 0.994 896 G CA 0.328 45.409 45.100 -0.032 0.000 0.698 896 G HN 0.543 nan 8.290 nan 0.000 0.521 897 A N -0.668 122.111 122.820 -0.070 0.000 3.033 897 A HA 0.904 5.211 4.320 -0.021 0.000 0.223 897 A C 0.554 178.102 177.584 -0.060 0.000 1.797 897 A CA 0.181 52.168 52.037 -0.083 0.000 0.856 897 A CB 0.769 19.688 19.000 -0.136 0.000 1.798 897 A HN 0.440 nan 8.150 nan 0.000 0.629 898 K N -0.246 120.121 120.400 -0.054 0.000 2.501 898 K HA 0.479 4.786 4.320 -0.021 0.000 0.252 898 K C -1.012 175.574 176.600 -0.024 0.000 0.934 898 K CA -0.350 55.915 56.287 -0.036 0.000 0.797 898 K CB 2.137 34.618 32.500 -0.031 0.000 1.270 898 K HN 0.820 nan 8.250 nan 0.000 0.431 899 S N 1.205 116.895 115.700 -0.017 0.000 2.747 899 S HA 0.472 4.930 4.470 -0.021 0.000 0.300 899 S C -0.484 174.108 174.600 -0.013 0.000 1.121 899 S CA -0.757 57.436 58.200 -0.011 0.000 0.995 899 S CB 1.496 64.686 63.200 -0.017 0.000 1.113 899 S HN 0.594 nan 8.310 nan 0.000 0.547 900 N N 0.561 119.252 118.700 -0.016 0.000 2.352 900 N HA 0.271 4.998 4.740 -0.021 0.000 0.291 900 N C -1.244 174.293 175.510 0.045 0.000 1.040 900 N CA -0.372 52.683 53.050 0.007 0.000 0.864 900 N CB 2.231 40.726 38.487 0.013 0.000 1.440 900 N HN 0.792 nan 8.380 nan 0.000 0.483 901 S N 2.192 117.961 115.700 0.116 0.000 2.494 901 S HA 0.388 4.846 4.470 -0.021 0.000 0.312 901 S C 1.197 175.932 174.600 0.224 0.000 1.121 901 S CA -0.283 58.079 58.200 0.270 0.000 1.068 901 S CB -0.401 62.955 63.200 0.258 0.000 1.141 901 S HN 0.638 nan 8.310 nan 0.000 0.527 902 G N 3.133 112.065 108.800 0.221 0.000 2.121 902 G HA2 -0.075 3.872 3.960 -0.021 0.000 0.662 902 G HA3 -0.075 3.872 3.960 -0.021 0.000 0.662 902 G C 0.699 175.711 174.900 0.186 0.000 1.317 902 G CA 0.333 45.538 45.100 0.174 0.000 1.197 902 G HN 0.944 nan 8.290 nan 0.000 0.642 903 E N -0.724 119.566 120.200 0.150 0.000 2.419 903 E HA 0.262 4.600 4.350 -0.021 0.000 0.190 903 E C 1.271 177.974 176.600 0.173 0.000 1.040 903 E CA 0.294 56.780 56.400 0.144 0.000 0.900 903 E CB 0.203 29.968 29.700 0.108 0.000 1.054 903 E HN 0.436 nan 8.360 nan 0.000 0.462 904 G N 0.923 109.795 108.800 0.120 0.000 3.523 904 G HA2 0.442 4.389 3.960 -0.021 0.000 0.270 904 G HA3 0.442 4.389 3.960 -0.021 0.000 0.270 904 G C 0.708 175.600 174.900 -0.015 0.000 1.134 904 G CA -0.001 45.124 45.100 0.040 0.000 0.825 904 G HN 0.520 nan 8.290 nan 0.000 0.534 905 G N -0.061 108.746 108.800 0.011 0.000 2.698 905 G HA2 -0.075 3.872 3.960 -0.021 0.000 0.233 905 G HA3 -0.075 3.872 3.960 -0.021 0.000 0.233 905 G C -0.484 174.510 174.900 0.157 0.000 1.352 905 G CA 0.061 45.117 45.100 -0.073 0.000 0.879 905 G HN 0.811 nan 8.290 nan 0.000 0.567 906 E N -0.924 119.394 120.200 0.197 0.000 2.335 906 E HA 0.417 4.754 4.350 -0.021 0.000 0.280 906 E C -1.335 175.263 176.600 -0.004 0.000 0.918 906 E CA -0.747 55.752 56.400 0.165 0.000 0.765 906 E CB 1.563 31.487 29.700 0.373 0.000 1.218 906 E HN 0.542 nan 8.360 nan 0.000 0.425 907 D N 3.284 123.624 120.400 -0.100 0.000 2.417 907 D HA 0.007 4.635 4.640 -0.021 0.000 0.250 907 D C 1.080 177.143 176.300 -0.396 0.000 1.166 907 D CA 0.156 54.058 54.000 -0.164 0.000 0.881 907 D CB 1.587 42.379 40.800 -0.014 0.000 1.164 907 D HN 0.310 nan 8.370 nan 0.000 0.467 908 V N 4.579 124.214 119.914 -0.465 0.000 2.568 908 V HA -0.205 3.902 4.120 -0.021 0.000 0.253 908 V C 2.473 178.242 176.094 -0.542 0.000 1.072 908 V CA 1.020 62.845 62.300 -0.791 0.000 1.084 908 V CB -0.408 31.239 31.823 -0.292 0.000 0.676 908 V HN 0.550 nan 8.190 nan 0.000 0.469 909 V N 0.151 119.913 119.914 -0.253 0.000 2.688 909 V HA -0.248 3.860 4.120 -0.021 0.000 0.256 909 V C 2.554 178.596 176.094 -0.087 0.000 1.084 909 V CA 1.970 64.203 62.300 -0.111 0.000 1.103 909 V CB -0.558 31.245 31.823 -0.033 0.000 0.688 909 V HN 0.495 nan 8.190 nan 0.000 0.480 910 R N -1.450 118.961 120.500 -0.149 0.000 2.236 910 R HA -0.031 4.296 4.340 -0.021 0.000 0.208 910 R C 2.001 178.388 176.300 0.144 0.000 1.036 910 R CA 1.159 57.256 56.100 -0.004 0.000 1.001 910 R CB -0.264 30.049 30.300 0.021 0.000 0.896 910 R HN 0.683 nan 8.270 nan 0.000 0.464 911 Y N 0.282 120.599 120.300 0.028 0.000 2.439 911 Y HA -0.006 4.532 4.550 -0.021 0.000 0.292 911 Y C 1.157 177.059 175.900 0.004 0.000 1.130 911 Y CA -0.232 57.874 58.100 0.011 0.000 1.254 911 Y CB 0.291 38.757 38.460 0.009 0.000 1.000 911 Y HN -0.079 nan 8.280 nan 0.000 0.554 912 L N 0.533 121.844 121.223 0.147 0.000 2.343 912 L HA 0.223 4.551 4.340 -0.021 0.000 0.275 912 L C 0.248 177.151 176.870 0.056 0.000 1.056 912 L CA -0.380 54.510 54.840 0.083 0.000 0.804 912 L CB 1.495 43.589 42.059 0.059 0.000 1.203 912 L HN -0.073 nan 8.230 nan 0.000 0.440 913 T N 3.465 118.042 114.554 0.038 0.000 2.919 913 T HA 0.249 4.586 4.350 -0.021 0.000 0.302 913 T C 0.334 175.044 174.700 0.017 0.000 1.031 913 T CA -0.389 61.726 62.100 0.025 0.000 1.127 913 T CB 0.380 69.258 68.868 0.016 0.000 0.952 913 T HN 0.266 nan 8.240 nan 0.000 0.540 914 L N 3.324 124.554 121.223 0.012 0.000 2.410 914 L HA 0.143 4.470 4.340 -0.021 0.000 0.273 914 L C 1.093 177.964 176.870 0.002 0.000 1.144 914 L CA 0.013 54.855 54.840 0.003 0.000 0.863 914 L CB 0.390 42.447 42.059 -0.004 0.000 1.140 914 L HN 0.720 nan 8.230 nan 0.000 0.463 915 D N 0.716 121.116 120.400 -0.000 0.000 2.454 915 D HA -0.027 4.600 4.640 -0.021 0.000 0.214 915 D C 0.579 176.877 176.300 -0.004 0.000 1.088 915 D CA 0.417 54.417 54.000 -0.001 0.000 0.855 915 D CB 0.652 41.453 40.800 0.002 0.000 1.025 915 D HN 0.657 nan 8.370 nan 0.000 0.502 916 D N 0.078 120.473 120.400 -0.008 0.000 2.571 916 D HA 0.030 4.658 4.640 -0.021 0.000 0.239 916 D C 0.164 176.455 176.300 -0.016 0.000 1.267 916 D CA -0.250 53.743 54.000 -0.011 0.000 0.823 916 D CB -0.015 40.778 40.800 -0.012 0.000 1.056 916 D HN -0.203 nan 8.370 nan 0.000 0.494 917 V N 2.467 122.372 119.914 -0.015 0.000 2.479 917 V HA 0.135 4.242 4.120 -0.021 0.000 0.281 917 V C 0.659 176.745 176.094 -0.013 0.000 1.031 917 V CA -0.376 61.914 62.300 -0.017 0.000 1.038 917 V CB 0.196 32.011 31.823 -0.014 0.000 0.981 917 V HN 0.271 nan 8.190 nan 0.000 0.478 918 D N 3.821 124.212 120.400 -0.015 0.000 2.414 918 D HA 0.095 4.722 4.640 -0.021 0.000 0.259 918 D C 1.394 177.690 176.300 -0.007 0.000 1.269 918 D CA 0.051 54.045 54.000 -0.010 0.000 1.028 918 D CB 0.395 41.189 40.800 -0.010 0.000 1.093 918 D HN 0.456 nan 8.370 nan 0.000 0.545 919 S N -1.571 114.126 115.700 -0.005 0.000 2.507 919 S HA -0.141 4.316 4.470 -0.021 0.000 0.235 919 S C 0.979 175.578 174.600 -0.002 0.000 0.988 919 S CA 0.571 58.769 58.200 -0.003 0.000 0.944 919 S CB -0.604 62.594 63.200 -0.003 0.000 0.762 919 S HN 0.588 nan 8.310 nan 0.000 0.526 920 E N 0.637 120.837 120.200 0.000 0.000 2.463 920 E HA 0.328 4.665 4.350 -0.021 0.000 0.193 920 E C 1.028 177.635 176.600 0.012 0.000 1.041 920 E CA 0.101 56.505 56.400 0.007 0.000 0.879 920 E CB 0.122 29.828 29.700 0.011 0.000 0.997 920 E HN 0.655 nan 8.360 nan 0.000 0.478 921 G N 1.857 110.659 108.800 0.004 0.000 2.143 921 G HA2 -0.217 3.730 3.960 -0.021 0.000 0.249 921 G HA3 -0.217 3.730 3.960 -0.021 0.000 0.249 921 G C -0.148 174.746 174.900 -0.011 0.000 0.981 921 G CA -0.260 44.843 45.100 0.005 0.000 0.665 921 G HN 0.167 nan 8.290 nan 0.000 0.528 922 N N 0.206 118.891 118.700 -0.025 0.000 2.405 922 N HA 0.603 5.331 4.740 -0.021 0.000 0.299 922 N C -0.647 174.827 175.510 -0.060 0.000 1.075 922 N CA 0.167 53.182 53.050 -0.059 0.000 0.884 922 N CB 1.782 40.237 38.487 -0.053 0.000 1.194 922 N HN 0.228 nan 8.380 nan 0.000 0.491 923 S N 1.471 117.118 115.700 -0.088 0.000 2.552 923 S HA 0.447 4.905 4.470 -0.021 0.000 0.314 923 S C -1.912 172.640 174.600 -0.080 0.000 1.099 923 S CA -1.703 56.453 58.200 -0.074 0.000 1.070 923 S CB 1.342 64.496 63.200 -0.075 0.000 0.998 923 S HN 0.183 nan 8.310 nan 0.000 0.474 924 P HA -0.081 nan 4.420 nan 0.000 0.217 924 P C 1.271 178.548 177.300 -0.039 0.000 1.148 924 P CA 1.313 64.389 63.100 -0.040 0.000 0.828 924 P CB -0.007 31.679 31.700 -0.024 0.000 0.783 925 T N -0.750 113.779 114.554 -0.040 0.000 2.777 925 T HA -0.035 4.303 4.350 -0.021 0.000 0.266 925 T C 0.876 175.549 174.700 -0.044 0.000 1.040 925 T CA 1.016 63.098 62.100 -0.030 0.000 1.141 925 T CB -0.373 68.481 68.868 -0.023 0.000 0.868 925 T HN 0.076 nan 8.240 nan 0.000 0.444 926 L N 1.927 123.078 121.223 -0.120 0.000 2.529 926 L HA 0.273 4.601 4.340 -0.021 0.000 0.246 926 L C -1.860 174.731 176.870 -0.465 0.000 1.394 926 L CA -1.496 53.169 54.840 -0.291 0.000 0.906 926 L CB 1.795 43.682 42.059 -0.286 0.000 1.170 926 L HN -0.031 nan 8.230 nan 0.000 0.501 927 P HA -0.132 nan 4.420 nan 0.000 0.233 927 P C 0.987 178.145 177.300 -0.237 0.000 1.167 927 P CA 1.089 64.073 63.100 -0.193 0.000 0.770 927 P CB -0.062 31.603 31.700 -0.059 0.000 0.837 928 H N -1.611 117.374 119.070 -0.141 0.000 2.547 928 H HA 0.237 4.780 4.556 -0.021 0.000 0.266 928 H C 0.739 175.947 175.328 -0.201 0.000 0.988 928 H CA -0.158 55.805 56.048 -0.142 0.000 1.147 928 H CB -0.560 29.141 29.762 -0.101 0.000 1.365 928 H HN 0.137 nan 8.280 nan 0.000 0.589 929 L N 1.376 122.282 121.223 -0.528 0.000 2.387 929 L HA 0.375 4.702 4.340 -0.021 0.000 0.266 929 L C -0.404 176.180 176.870 -0.476 0.000 1.059 929 L CA -0.762 53.887 54.840 -0.318 0.000 0.801 929 L CB 1.227 43.143 42.059 -0.238 0.000 1.223 929 L HN 0.184 nan 8.230 nan 0.000 0.456 930 H N -1.126 117.976 119.070 0.052 0.000 2.821 930 H HA 0.466 5.010 4.556 -0.021 0.000 0.373 930 H C 0.295 175.642 175.328 0.032 0.000 1.165 930 H CA -0.189 55.882 56.048 0.038 0.000 1.154 930 H CB 1.852 31.645 29.762 0.051 0.000 1.765 930 H HN 0.755 nan 8.280 nan 0.000 0.549 931 G N 1.472 110.351 108.800 0.132 0.000 2.295 931 G HA2 -0.252 3.695 3.960 -0.021 0.000 0.287 931 G HA3 -0.252 3.695 3.960 -0.021 0.000 0.287 931 G C -0.302 174.626 174.900 0.047 0.000 1.055 931 G CA 0.176 45.320 45.100 0.073 0.000 0.922 931 G HN 0.399 nan 8.290 nan 0.000 0.503 932 L N -0.850 120.387 121.223 0.024 0.000 2.454 932 L HA 0.745 5.072 4.340 -0.021 0.000 0.256 932 L C 0.812 177.687 176.870 0.008 0.000 1.136 932 L CA -0.732 54.114 54.840 0.010 0.000 0.804 932 L CB 1.166 43.217 42.059 -0.015 0.000 1.181 932 L HN 0.637 nan 8.230 nan 0.000 0.469 933 Q N -0.857 118.947 119.800 0.007 0.000 2.418 933 Q HA 0.318 4.646 4.340 -0.021 0.000 0.282 933 Q C -0.611 175.391 176.000 0.004 0.000 1.044 933 Q CA -0.922 54.884 55.803 0.006 0.000 0.813 933 Q CB 1.344 30.088 28.738 0.010 0.000 1.428 933 Q HN 0.322 nan 8.270 nan 0.000 0.402 934 N N 0.861 119.563 118.700 0.002 0.000 2.258 934 N HA -0.132 4.595 4.740 -0.021 0.000 0.187 934 N C 1.506 177.019 175.510 0.004 0.000 1.012 934 N CA 1.755 54.806 53.050 0.001 0.000 0.870 934 N CB -0.250 38.237 38.487 0.000 0.000 0.977 934 N HN 0.871 nan 8.380 nan 0.000 0.434 935 G N 0.257 109.061 108.800 0.007 0.000 2.559 935 G HA2 -0.125 3.822 3.960 -0.021 0.000 0.216 935 G HA3 -0.125 3.822 3.960 -0.021 0.000 0.216 935 G C 0.321 175.227 174.900 0.011 0.000 1.126 935 G CA 0.062 45.167 45.100 0.008 0.000 0.778 935 G HN 0.205 nan 8.290 nan 0.000 0.543 936 D N -0.074 120.333 120.400 0.012 0.000 2.382 936 D HA 0.395 5.022 4.640 -0.021 0.000 0.240 936 D C 0.189 176.501 176.300 0.019 0.000 1.146 936 D CA 0.719 54.728 54.000 0.016 0.000 0.897 936 D CB 1.408 42.217 40.800 0.015 0.000 1.197 936 D HN 0.026 nan 8.370 nan 0.000 0.432 937 T N -1.041 113.528 114.554 0.026 0.000 2.993 937 T HA 0.540 4.878 4.350 -0.021 0.000 0.312 937 T C -0.178 174.552 174.700 0.050 0.000 1.115 937 T CA -0.658 61.464 62.100 0.037 0.000 1.027 937 T CB 1.250 70.140 68.868 0.037 0.000 1.116 937 T HN 0.192 nan 8.240 nan 0.000 0.464 938 A N 3.888 126.747 122.820 0.065 0.000 2.307 938 A HA 0.313 4.621 4.320 -0.021 0.000 0.218 938 A C 0.846 178.501 177.584 0.119 0.000 1.228 938 A CA -0.240 51.849 52.037 0.086 0.000 0.857 938 A CB -0.662 18.389 19.000 0.086 0.000 0.897 938 A HN 0.746 nan 8.150 nan 0.000 0.495 939 N N 1.091 119.862 118.700 0.119 0.000 2.452 939 N HA 0.075 4.803 4.740 -0.021 0.000 0.266 939 N C -0.420 175.143 175.510 0.089 0.000 1.209 939 N CA 0.337 53.477 53.050 0.149 0.000 0.929 939 N CB 0.310 38.871 38.487 0.124 0.000 1.063 939 N HN 0.124 nan 8.380 nan 0.000 0.472 940 S N 2.999 118.762 115.700 0.105 0.000 2.481 940 S HA 0.189 4.647 4.470 -0.021 0.000 0.282 940 S C 1.402 175.985 174.600 -0.028 0.000 1.243 940 S CA -0.242 57.988 58.200 0.049 0.000 1.078 940 S CB 0.878 64.130 63.200 0.088 0.000 0.916 940 S HN 0.713 nan 8.310 nan 0.000 0.495 941 A N 4.364 127.162 122.820 -0.036 0.000 1.940 941 A HA -0.007 4.300 4.320 -0.021 0.000 0.219 941 A C 0.747 178.275 177.584 -0.093 0.000 1.176 941 A CA 1.034 53.031 52.037 -0.067 0.000 0.631 941 A CB -0.396 18.573 19.000 -0.052 0.000 0.814 941 A HN 0.780 nan 8.150 nan 0.000 0.446 942 I N 0.675 121.201 120.570 -0.075 0.000 2.321 942 I HA 0.236 4.394 4.170 -0.021 0.000 0.291 942 I C -0.613 175.439 176.117 -0.107 0.000 0.998 942 I CA -0.652 60.597 61.300 -0.085 0.000 1.227 942 I CB 1.514 39.485 38.000 -0.049 0.000 1.368 942 I HN -0.056 nan 8.210 nan 0.000 0.466 943 K N 6.180 126.467 120.400 -0.189 0.000 2.185 943 K HA 0.391 4.698 4.320 -0.021 0.000 0.269 943 K C -0.610 175.930 176.600 -0.101 0.000 0.987 943 K CA -0.536 55.576 56.287 -0.292 0.000 0.865 943 K CB 1.749 33.804 32.500 -0.741 0.000 1.090 943 K HN 0.538 nan 8.250 nan 0.000 0.450 944 Q N 2.192 122.034 119.800 0.070 0.000 2.230 944 Q HA 0.406 4.733 4.340 -0.021 0.000 0.253 944 Q C -0.872 175.244 176.000 0.195 0.000 0.919 944 Q CA -0.767 55.108 55.803 0.119 0.000 0.908 944 Q CB 0.902 29.716 28.738 0.126 0.000 1.245 944 Q HN 0.389 nan 8.270 nan 0.000 0.437 945 I N 3.173 123.819 120.570 0.126 0.000 2.390 945 I HA 0.445 4.602 4.170 -0.021 0.000 0.283 945 I C -0.312 175.898 176.117 0.155 0.000 1.016 945 I CA 0.002 61.374 61.300 0.119 0.000 1.151 945 I CB 1.434 39.489 38.000 0.092 0.000 1.293 945 I HN 0.601 nan 8.210 nan 0.000 0.458 946 A N 3.583 126.423 122.820 0.033 0.000 2.309 946 A HA 0.648 4.956 4.320 -0.021 0.000 0.317 946 A C 1.179 178.476 177.584 -0.478 0.000 1.134 946 A CA 0.090 52.070 52.037 -0.096 0.000 0.866 946 A CB 0.785 19.737 19.000 -0.081 0.000 1.329 946 A HN 0.688 nan 8.150 nan 0.000 0.477 947 S N -0.758 114.458 115.700 -0.807 0.000 2.419 947 S HA -0.077 4.381 4.470 -0.021 0.000 0.235 947 S C 1.609 175.916 174.600 -0.489 0.000 1.019 947 S CA 1.595 59.329 58.200 -0.776 0.000 0.982 947 S CB -0.642 62.195 63.200 -0.606 0.000 0.789 947 S HN 1.323 nan 8.310 nan 0.000 0.490 948 G N 0.841 109.282 108.800 -0.600 0.000 2.511 948 G HA2 0.046 3.993 3.960 -0.021 0.000 0.217 948 G HA3 0.046 3.993 3.960 -0.021 0.000 0.217 948 G C 0.609 174.880 174.900 -1.048 0.000 1.133 948 G CA -0.091 44.418 45.100 -0.986 0.000 0.792 948 G HN 0.365 nan 8.290 nan 0.000 0.539 949 R N -1.295 118.791 120.500 -0.690 0.000 3.758 949 R HA -0.191 4.136 4.340 -0.021 0.000 0.299 949 R C 1.103 177.166 176.300 -0.394 0.000 1.182 949 R CA 0.861 56.659 56.100 -0.503 0.000 0.809 949 R CB -2.670 27.281 30.300 -0.583 0.000 1.249 949 R HN 0.562 nan 8.270 nan 0.000 0.497 950 F N -0.379 119.457 119.950 -0.190 0.000 2.102 950 F HA -0.123 4.391 4.527 -0.021 0.000 0.298 950 F C 2.746 178.381 175.800 -0.276 0.000 1.105 950 F CA 1.371 59.258 58.000 -0.188 0.000 1.239 950 F CB -0.300 38.612 39.000 -0.146 0.000 0.991 950 F HN 0.293 nan 8.300 nan 0.000 0.474 951 G N -0.152 108.520 108.800 -0.214 0.000 2.498 951 G HA2 -0.096 3.852 3.960 -0.021 0.000 0.219 951 G HA3 -0.096 3.852 3.960 -0.021 0.000 0.219 951 G C 0.439 174.832 174.900 -0.844 0.000 1.119 951 G CA 0.253 44.953 45.100 -0.667 0.000 0.766 951 G HN 0.132 nan 8.290 nan 0.000 0.552 952 V N 1.399 121.021 119.914 -0.487 0.000 2.322 952 V HA 0.427 4.535 4.120 -0.021 0.000 0.258 952 V C 0.181 176.257 176.094 -0.030 0.000 1.074 952 V CA -0.145 61.961 62.300 -0.323 0.000 0.909 952 V CB 0.588 32.349 31.823 -0.105 0.000 1.090 952 V HN 0.051 nan 8.190 nan 0.000 0.486 953 T N 6.357 120.911 114.554 -0.001 0.000 2.907 953 T HA 0.430 4.768 4.350 -0.021 0.000 0.292 953 T C -1.892 172.865 174.700 0.096 0.000 1.043 953 T CA -1.363 60.796 62.100 0.099 0.000 1.003 953 T CB 2.482 71.387 68.868 0.061 0.000 1.084 953 T HN 0.275 nan 8.240 nan 0.000 0.483 954 P HA -0.122 nan 4.420 nan 0.000 0.215 954 P C 1.234 178.522 177.300 -0.020 0.000 1.157 954 P CA 1.015 64.098 63.100 -0.028 0.000 0.874 954 P CB 0.246 31.976 31.700 0.050 0.000 0.790 955 E N -1.464 118.773 120.200 0.061 0.000 2.150 955 E HA -0.231 4.107 4.350 -0.021 0.000 0.193 955 E C 1.997 178.613 176.600 0.026 0.000 0.985 955 E CA 0.596 57.030 56.400 0.057 0.000 0.814 955 E CB -0.693 29.092 29.700 0.142 0.000 0.752 955 E HN 0.220 nan 8.360 nan 0.000 0.466 956 Y N 1.411 121.704 120.300 -0.011 0.000 2.114 956 Y HA -0.199 4.339 4.550 -0.021 0.000 0.284 956 Y C 1.949 177.747 175.900 -0.170 0.000 1.143 956 Y CA 1.918 59.999 58.100 -0.032 0.000 1.135 956 Y CB -0.230 38.264 38.460 0.056 0.000 0.980 956 Y HN 0.013 nan 8.280 nan 0.000 0.499 957 L N -0.495 120.689 121.223 -0.064 0.000 2.083 957 L HA -0.253 4.075 4.340 -0.021 0.000 0.209 957 L C 2.225 178.934 176.870 -0.267 0.000 1.083 957 L CA 1.020 55.718 54.840 -0.236 0.000 0.752 957 L CB -0.498 41.380 42.059 -0.302 0.000 0.899 957 L HN 0.341 nan 8.230 nan 0.000 0.433 958 M N -0.626 118.835 119.600 -0.231 0.000 2.492 958 M HA -0.056 4.411 4.480 -0.021 0.000 0.262 958 M C 2.452 178.581 176.300 -0.286 0.000 1.090 958 M CA 1.254 56.422 55.300 -0.220 0.000 1.110 958 M CB -1.152 31.349 32.600 -0.164 0.000 1.407 958 M HN 0.348 nan 8.290 nan 0.000 0.470 959 S N -0.845 114.599 115.700 -0.427 0.000 2.527 959 S HA 0.152 4.610 4.470 -0.021 0.000 0.222 959 S C 1.145 175.495 174.600 -0.418 0.000 0.985 959 S CA 0.047 57.902 58.200 -0.576 0.000 0.921 959 S CB -0.623 61.818 63.200 -1.264 0.000 0.772 959 S HN 0.387 nan 8.310 nan 0.000 0.529 960 G N 0.871 109.453 108.800 -0.364 0.000 2.353 960 G HA2 0.387 4.334 3.960 -0.021 0.000 0.284 960 G HA3 0.387 4.334 3.960 -0.021 0.000 0.284 960 G C 0.337 175.118 174.900 -0.198 0.000 1.172 960 G CA -0.770 44.161 45.100 -0.281 0.000 0.854 960 G HN 0.279 nan 8.290 nan 0.000 0.485 961 K N 0.679 120.988 120.400 -0.153 0.000 2.148 961 K HA -0.020 4.288 4.320 -0.021 0.000 0.204 961 K C 0.869 177.405 176.600 -0.107 0.000 1.050 961 K CA 1.073 57.290 56.287 -0.116 0.000 0.942 961 K CB 0.097 32.542 32.500 -0.092 0.000 0.724 961 K HN 0.585 nan 8.250 nan 0.000 0.446 962 Q N -0.077 119.655 119.800 -0.115 0.000 2.456 962 Q HA 0.509 4.837 4.340 -0.021 0.000 0.283 962 Q C -1.253 174.674 176.000 -0.123 0.000 1.084 962 Q CA -0.670 55.072 55.803 -0.102 0.000 0.801 962 Q CB 2.550 31.240 28.738 -0.081 0.000 1.434 962 Q HN -0.016 nan 8.270 nan 0.000 0.419 963 L N 1.152 122.308 121.223 -0.112 0.000 2.376 963 L HA 0.497 4.825 4.340 -0.021 0.000 0.275 963 L C -0.773 176.047 176.870 -0.083 0.000 0.987 963 L CA -0.531 54.239 54.840 -0.116 0.000 0.828 963 L CB 2.117 44.093 42.059 -0.138 0.000 1.249 963 L HN 0.624 nan 8.230 nan 0.000 0.409 964 E N 3.851 124.019 120.200 -0.053 0.000 2.133 964 E HA 0.461 4.799 4.350 -0.021 0.000 0.274 964 E C -0.990 175.605 176.600 -0.008 0.000 0.930 964 E CA -0.624 55.758 56.400 -0.029 0.000 0.770 964 E CB 1.339 31.033 29.700 -0.011 0.000 1.104 964 E HN 0.487 nan 8.360 nan 0.000 0.403 965 I N 5.224 125.777 120.570 -0.029 0.000 2.322 965 I HA 0.119 4.277 4.170 -0.021 0.000 0.292 965 I C 0.430 176.550 176.117 0.006 0.000 1.060 965 I CA -0.243 61.037 61.300 -0.033 0.000 1.309 965 I CB 0.623 38.545 38.000 -0.130 0.000 1.415 965 I HN 0.335 nan 8.210 nan 0.000 0.492 966 K N 7.491 127.952 120.400 0.101 0.000 2.273 966 K HA 0.212 4.520 4.320 -0.021 0.000 0.287 966 K C 0.554 177.281 176.600 0.212 0.000 1.089 966 K CA -0.535 55.825 56.287 0.122 0.000 0.909 966 K CB 0.784 33.350 32.500 0.110 0.000 1.123 966 K HN 0.603 nan 8.250 nan 0.000 0.473 967 M N 1.933 121.602 119.600 0.115 0.000 2.357 967 M HA 0.144 4.611 4.480 -0.021 0.000 0.266 967 M C 0.583 176.953 176.300 0.118 0.000 1.095 967 M CA 0.615 55.994 55.300 0.133 0.000 1.156 967 M CB -0.475 32.170 32.600 0.074 0.000 1.365 967 M HN 0.594 nan 8.290 nan 0.000 0.447 968 A N 0.635 123.500 122.820 0.074 0.000 2.608 968 A HA 0.604 4.911 4.320 -0.021 0.000 0.292 968 A C -1.169 176.411 177.584 -0.007 0.000 1.066 968 A CA -0.792 51.248 52.037 0.005 0.000 0.676 968 A CB 1.311 20.291 19.000 -0.035 0.000 1.277 968 A HN 0.326 nan 8.150 nan 0.000 0.413 969 Q N 0.521 120.292 119.800 -0.048 0.000 2.387 969 Q HA 0.632 4.960 4.340 -0.021 0.000 0.273 969 Q C 0.630 176.594 176.000 -0.059 0.000 1.089 969 Q CA -0.383 55.403 55.803 -0.028 0.000 0.824 969 Q CB 1.866 30.598 28.738 -0.010 0.000 1.367 969 Q HN 1.051 nan 8.270 nan 0.000 0.443 970 G N 1.269 110.061 108.800 -0.013 0.000 2.432 970 G HA2 -0.226 3.721 3.960 -0.021 0.000 0.219 970 G HA3 -0.226 3.721 3.960 -0.021 0.000 0.219 970 G C 1.222 176.112 174.900 -0.016 0.000 1.135 970 G CA 0.828 45.931 45.100 0.005 0.000 0.767 970 G HN 0.794 nan 8.290 nan 0.000 0.550 971 A N 0.749 123.555 122.820 -0.023 0.000 1.930 971 A HA 0.097 4.404 4.320 -0.021 0.000 0.217 971 A C 1.603 179.165 177.584 -0.037 0.000 1.175 971 A CA 1.759 53.783 52.037 -0.022 0.000 0.627 971 A CB -0.148 18.842 19.000 -0.015 0.000 0.815 971 A HN 0.539 nan 8.150 nan 0.000 0.443 972 K N -1.897 118.461 120.400 -0.070 0.000 3.262 972 K HA 0.271 4.578 4.320 -0.021 0.000 0.166 972 K C -2.681 173.819 176.600 -0.167 0.000 1.091 972 K CA -1.151 55.086 56.287 -0.084 0.000 0.798 972 K CB 1.157 33.633 32.500 -0.040 0.000 0.953 972 K HN 0.046 nan 8.250 nan 0.000 0.588 973 P HA -0.152 nan 4.420 nan 0.000 0.218 973 P C 1.249 178.277 177.300 -0.453 0.000 1.149 973 P CA 1.463 64.176 63.100 -0.645 0.000 0.817 973 P CB 0.115 30.855 31.700 -1.599 0.000 0.785 974 G N -0.569 108.094 108.800 -0.228 0.000 2.776 974 G HA2 -0.067 3.881 3.960 -0.021 0.000 0.209 974 G HA3 -0.067 3.881 3.960 -0.021 0.000 0.209 974 G C 0.402 175.301 174.900 -0.001 0.000 1.145 974 G CA 0.136 45.230 45.100 -0.011 0.000 0.791 974 G HN 0.348 nan 8.290 nan 0.000 0.530 975 E N -1.434 118.741 120.200 -0.040 0.000 2.410 975 E HA 0.542 4.880 4.350 -0.021 0.000 0.269 975 E C -0.140 176.442 176.600 -0.030 0.000 0.937 975 E CA -1.106 55.283 56.400 -0.019 0.000 0.793 975 E CB 1.556 31.249 29.700 -0.012 0.000 1.314 975 E HN 0.068 nan 8.360 nan 0.000 0.447 976 G N -0.414 108.369 108.800 -0.028 0.000 2.477 976 G HA2 0.473 4.421 3.960 -0.021 0.000 0.304 976 G HA3 0.473 4.421 3.960 -0.021 0.000 0.304 976 G C 0.149 175.038 174.900 -0.017 0.000 1.175 976 G CA -0.243 44.828 45.100 -0.048 0.000 0.907 976 G HN 0.456 nan 8.290 nan 0.000 0.509 977 G N -1.184 107.610 108.800 -0.010 0.000 2.647 977 G HA2 0.394 4.342 3.960 -0.021 0.000 0.234 977 G HA3 0.394 4.342 3.960 -0.021 0.000 0.234 977 G C -0.130 174.799 174.900 0.047 0.000 1.252 977 G CA 0.000 45.117 45.100 0.027 0.000 0.846 977 G HN 0.655 nan 8.290 nan 0.000 0.589 978 Q N -0.421 119.407 119.800 0.046 0.000 2.263 978 Q HA 0.504 4.832 4.340 -0.021 0.000 0.266 978 Q C -1.832 174.189 176.000 0.035 0.000 1.002 978 Q CA -0.783 55.046 55.803 0.043 0.000 0.790 978 Q CB 1.750 30.509 28.738 0.034 0.000 1.272 978 Q HN 0.401 nan 8.270 nan 0.000 0.435 979 L N 6.135 127.371 121.223 0.022 0.000 2.406 979 L HA 0.602 4.929 4.340 -0.021 0.000 0.270 979 L C -2.620 174.248 176.870 -0.003 0.000 0.982 979 L CA -1.800 53.038 54.840 -0.003 0.000 0.843 979 L CB 1.759 43.789 42.059 -0.049 0.000 1.225 979 L HN 0.484 nan 8.230 nan 0.000 0.412 980 P HA 0.133 nan 4.420 nan 0.000 0.264 980 P C 0.781 178.076 177.300 -0.009 0.000 1.183 980 P CA 0.206 63.314 63.100 0.014 0.000 0.763 980 P CB 0.780 32.495 31.700 0.025 0.000 0.807 981 G N 3.789 112.585 108.800 -0.007 0.000 2.450 981 G HA2 -0.280 3.667 3.960 -0.021 0.000 0.220 981 G HA3 -0.280 3.667 3.960 -0.021 0.000 0.220 981 G C 1.165 176.052 174.900 -0.021 0.000 1.130 981 G CA 0.632 45.722 45.100 -0.018 0.000 0.760 981 G HN 0.650 nan 8.290 nan 0.000 0.557 982 K N 0.440 120.831 120.400 -0.014 0.000 2.281 982 K HA -0.030 4.277 4.320 -0.021 0.000 0.203 982 K C 1.866 178.452 176.600 -0.025 0.000 1.046 982 K CA 1.263 57.539 56.287 -0.018 0.000 0.938 982 K CB -0.131 32.359 32.500 -0.017 0.000 0.737 982 K HN 0.211 nan 8.250 nan 0.000 0.458 983 K N 1.048 121.432 120.400 -0.028 0.000 2.393 983 K HA 0.108 4.416 4.320 -0.021 0.000 0.193 983 K C -0.159 176.415 176.600 -0.044 0.000 1.026 983 K CA -0.019 56.249 56.287 -0.032 0.000 1.064 983 K CB 0.806 33.289 32.500 -0.028 0.000 0.833 983 K HN -0.074 nan 8.250 nan 0.000 0.521 984 V N 3.437 123.319 119.914 -0.053 0.000 2.229 984 V HA -0.005 4.103 4.120 -0.021 0.000 0.245 984 V C 0.537 176.601 176.094 -0.051 0.000 1.243 984 V CA -0.405 61.850 62.300 -0.074 0.000 1.176 984 V CB -0.497 31.268 31.823 -0.096 0.000 1.323 984 V HN 0.231 nan 8.190 nan 0.000 0.499 985 S N 3.030 118.710 115.700 -0.033 0.000 2.634 985 S HA 0.235 4.692 4.470 -0.021 0.000 0.261 985 S C 1.098 175.693 174.600 -0.008 0.000 1.271 985 S CA -0.525 57.669 58.200 -0.010 0.000 0.985 985 S CB 0.971 64.180 63.200 0.016 0.000 0.968 985 S HN 0.608 nan 8.310 nan 0.000 0.568 986 E N 0.012 120.218 120.200 0.009 0.000 2.118 986 E HA -0.200 4.137 4.350 -0.021 0.000 0.195 986 E C 1.659 178.274 176.600 0.025 0.000 0.992 986 E CA 1.553 57.958 56.400 0.009 0.000 0.804 986 E CB -0.424 29.287 29.700 0.018 0.000 0.741 986 E HN 0.863 nan 8.360 nan 0.000 0.458 987 Y N 1.276 121.530 120.300 -0.076 0.000 2.145 987 Y HA -0.223 4.315 4.550 -0.021 0.000 0.286 987 Y C 2.235 178.074 175.900 -0.100 0.000 1.145 987 Y CA 1.172 59.219 58.100 -0.088 0.000 1.148 987 Y CB 0.020 38.419 38.460 -0.102 0.000 0.981 987 Y HN -0.072 nan 8.280 nan 0.000 0.507 988 I N 0.698 121.205 120.570 -0.106 0.000 2.226 988 I HA -0.279 3.878 4.170 -0.021 0.000 0.245 988 I C 2.680 178.656 176.117 -0.235 0.000 1.100 988 I CA 1.513 62.687 61.300 -0.210 0.000 1.374 988 I CB -2.087 35.836 38.000 -0.128 0.000 1.057 988 I HN 0.372 nan 8.210 nan 0.000 0.413 989 A N 0.373 123.094 122.820 -0.166 0.000 1.972 989 A HA -0.206 4.102 4.320 -0.021 0.000 0.219 989 A C 2.371 179.863 177.584 -0.152 0.000 1.169 989 A CA 1.490 53.436 52.037 -0.151 0.000 0.635 989 A CB -0.554 18.389 19.000 -0.094 0.000 0.810 989 A HN 0.368 nan 8.150 nan 0.000 0.446 990 M N -0.798 118.699 119.600 -0.171 0.000 2.077 990 M HA -0.080 4.388 4.480 -0.021 0.000 0.261 990 M C 1.863 178.036 176.300 -0.210 0.000 1.070 990 M CA 1.660 56.859 55.300 -0.168 0.000 1.125 990 M CB -0.676 31.825 32.600 -0.166 0.000 1.339 990 M HN 0.314 nan 8.290 nan 0.000 0.409 991 L N 0.692 121.720 121.223 -0.325 0.000 2.042 991 L HA -0.173 4.155 4.340 -0.021 0.000 0.210 991 L C 2.457 179.211 176.870 -0.194 0.000 1.076 991 L CA 1.874 56.536 54.840 -0.296 0.000 0.749 991 L CB -0.973 40.848 42.059 -0.396 0.000 0.893 991 L HN 0.357 nan 8.230 nan 0.000 0.432 992 R N -0.942 119.438 120.500 -0.199 0.000 2.297 992 R HA 0.097 4.424 4.340 -0.021 0.000 0.197 992 R C 0.030 176.305 176.300 -0.042 0.000 0.943 992 R CA -0.240 55.775 56.100 -0.141 0.000 1.038 992 R CB 0.152 30.210 30.300 -0.403 0.000 0.957 992 R HN 0.078 nan 8.270 nan 0.000 0.484 993 R N 0.882 121.339 120.500 -0.071 0.000 3.251 993 R HA -0.162 4.165 4.340 -0.021 0.000 0.249 993 R C -0.420 175.874 176.300 -0.010 0.000 0.949 993 R CA 0.909 56.990 56.100 -0.032 0.000 0.645 993 R CB -2.114 28.182 30.300 -0.007 0.000 1.065 993 R HN 0.450 nan 8.270 nan 0.000 0.452 994 S N -1.851 113.815 115.700 -0.057 0.000 2.810 994 S HA 0.725 5.182 4.470 -0.021 0.000 0.315 994 S C -0.556 174.014 174.600 -0.049 0.000 1.138 994 S CA -1.255 56.917 58.200 -0.045 0.000 0.889 994 S CB 2.068 65.196 63.200 -0.120 0.000 1.236 994 S HN 0.017 nan 8.310 nan 0.000 0.548 995 K N 1.436 121.814 120.400 -0.036 0.000 2.227 995 K HA 0.371 4.679 4.320 -0.021 0.000 0.280 995 K C -2.007 174.569 176.600 -0.041 0.000 1.041 995 K CA -2.372 53.898 56.287 -0.027 0.000 0.905 995 K CB 0.983 33.478 32.500 -0.007 0.000 1.068 995 K HN 0.338 nan 8.250 nan 0.000 0.470 996 P HA -0.206 nan 4.420 nan 0.000 0.218 996 P C 1.209 178.490 177.300 -0.032 0.000 1.154 996 P CA 1.390 64.468 63.100 -0.038 0.000 0.872 996 P CB 0.214 31.900 31.700 -0.024 0.000 0.790 997 G N -1.183 107.604 108.800 -0.021 0.000 2.509 997 G HA2 -0.033 3.915 3.960 -0.021 0.000 0.218 997 G HA3 -0.033 3.915 3.960 -0.021 0.000 0.218 997 G C 0.309 175.199 174.900 -0.018 0.000 1.124 997 G CA 0.218 45.309 45.100 -0.016 0.000 0.776 997 G HN 0.234 nan 8.290 nan 0.000 0.547 998 V N 1.397 121.296 119.914 -0.025 0.000 2.370 998 V HA 0.265 4.372 4.120 -0.021 0.000 0.283 998 V C 0.328 176.410 176.094 -0.021 0.000 1.023 998 V CA -0.815 61.476 62.300 -0.014 0.000 0.857 998 V CB 1.290 33.111 31.823 -0.003 0.000 0.985 998 V HN 0.062 nan 8.190 nan 0.000 0.443 999 T N 6.924 121.476 114.554 -0.004 0.000 2.849 999 T HA 0.104 4.442 4.350 -0.021 0.000 0.289 999 T C 0.041 174.749 174.700 0.014 0.000 1.010 999 T CA 0.579 62.681 62.100 0.003 0.000 1.161 999 T CB -0.236 68.645 68.868 0.022 0.000 0.989 999 T HN 0.379 nan 8.240 nan 0.000 0.523 1000 L N 5.253 126.474 121.223 -0.003 0.000 2.283 1000 L HA 0.462 4.790 4.340 -0.021 0.000 0.281 1000 L C -0.079 176.847 176.870 0.094 0.000 1.033 1000 L CA -0.485 54.379 54.840 0.040 0.000 0.848 1000 L CB 0.422 42.421 42.059 -0.100 0.000 1.226 1000 L HN 0.552 nan 8.230 nan 0.000 0.429 1001 I N 2.042 122.685 120.570 0.121 0.000 2.307 1001 I HA 0.200 4.358 4.170 -0.021 0.000 0.289 1001 I C 0.554 176.732 176.117 0.101 0.000 1.021 1001 I CA 0.109 61.472 61.300 0.105 0.000 1.224 1001 I CB 1.370 39.427 38.000 0.094 0.000 1.376 1001 I HN 0.509 nan 8.210 nan 0.000 0.470 1002 S N 7.567 123.301 115.700 0.057 0.000 2.593 1002 S HA 0.252 4.709 4.470 -0.021 0.000 0.269 1002 S C -2.240 172.241 174.600 -0.199 0.000 1.334 1002 S CA -0.889 57.257 58.200 -0.090 0.000 1.015 1002 S CB 0.312 63.452 63.200 -0.100 0.000 0.912 1002 S HN 0.361 nan 8.310 nan 0.000 0.541 1003 P HA 0.133 nan 4.420 nan 0.000 0.265 1003 P C -2.039 175.139 177.300 -0.204 0.000 1.193 1003 P CA -1.091 61.784 63.100 -0.375 0.000 0.765 1003 P CB -0.045 31.328 31.700 -0.545 0.000 0.823 1004 P HA -0.061 nan 4.420 nan 0.000 0.215 1004 P C -1.824 175.421 177.300 -0.091 0.000 1.157 1004 P CA 2.086 65.147 63.100 -0.065 0.000 0.868 1004 P CB -1.613 30.083 31.700 -0.006 0.000 0.788 1005 P HA 0.066 nan 4.420 nan 0.000 0.282 1005 P C -0.556 176.603 177.300 -0.235 0.000 1.259 1005 P CA -0.092 62.931 63.100 -0.129 0.000 0.826 1005 P CB 0.627 32.248 31.700 -0.132 0.000 1.064 1006 H N 1.633 120.619 119.070 -0.141 0.000 2.899 1006 H HA 0.033 4.577 4.556 -0.021 0.000 0.303 1006 H C 1.265 176.446 175.328 -0.246 0.000 1.042 1006 H CA 0.139 56.133 56.048 -0.090 0.000 1.479 1006 H CB 0.435 30.184 29.762 -0.022 0.000 1.493 1006 H HN 0.545 nan 8.280 nan 0.000 0.534 1007 H N 2.116 121.072 119.070 -0.190 0.000 2.563 1007 H HA -0.086 4.458 4.556 -0.021 0.000 0.272 1007 H C 0.891 175.797 175.328 -0.703 0.000 1.005 1007 H CA 0.462 56.240 56.048 -0.449 0.000 1.171 1007 H CB 0.231 29.677 29.762 -0.528 0.000 1.351 1007 H HN 0.650 nan 8.280 nan 0.000 0.602 1008 D N 0.202 120.376 120.400 -0.375 0.000 2.323 1008 D HA 0.064 4.692 4.640 -0.021 0.000 0.209 1008 D C 0.223 176.293 176.300 -0.384 0.000 0.973 1008 D CA 0.455 54.200 54.000 -0.426 0.000 0.874 1008 D CB 0.486 41.239 40.800 -0.077 0.000 0.930 1008 D HN 0.296 nan 8.370 nan 0.000 0.521 1009 I N 0.414 120.805 120.570 -0.298 0.000 2.542 1009 I HA 0.137 4.295 4.170 -0.021 0.000 0.278 1009 I C -0.459 175.693 176.117 0.059 0.000 1.069 1009 I CA -0.454 60.769 61.300 -0.127 0.000 1.100 1009 I CB 1.437 39.370 38.000 -0.113 0.000 1.204 1009 I HN -0.102 nan 8.210 nan 0.000 0.470 1010 Y N 3.266 123.585 120.300 0.031 0.000 2.557 1010 Y HA 0.283 4.820 4.550 -0.021 0.000 0.247 1010 Y C 0.917 176.822 175.900 0.009 0.000 1.164 1010 Y CA -0.544 57.576 58.100 0.034 0.000 1.218 1010 Y CB 0.996 39.497 38.460 0.068 0.000 1.210 1010 Y HN 0.630 nan 8.280 nan 0.000 0.529 1011 S N -1.584 114.184 115.700 0.113 0.000 2.627 1011 S HA 0.139 4.596 4.470 -0.021 0.000 0.268 1011 S C -0.069 174.474 174.600 -0.094 0.000 1.130 1011 S CA -0.814 57.389 58.200 0.005 0.000 0.819 1011 S CB 0.756 63.955 63.200 -0.001 0.000 1.100 1011 S HN 0.036 nan 8.310 nan 0.000 0.465 1012 I N 2.022 122.466 120.570 -0.211 0.000 2.264 1012 I HA -0.134 4.024 4.170 -0.021 0.000 0.248 1012 I C 2.532 178.390 176.117 -0.432 0.000 1.111 1012 I CA 2.405 63.480 61.300 -0.374 0.000 1.382 1012 I CB -0.603 37.039 38.000 -0.597 0.000 1.060 1012 I HN 0.872 nan 8.210 nan 0.000 0.418 1013 E N -0.289 119.669 120.200 -0.404 0.000 2.204 1013 E HA -0.233 4.105 4.350 -0.021 0.000 0.194 1013 E C 1.332 177.914 176.600 -0.030 0.000 0.989 1013 E CA 1.458 57.743 56.400 -0.190 0.000 0.824 1013 E CB -0.683 28.985 29.700 -0.053 0.000 0.756 1013 E HN 0.488 nan 8.360 nan 0.000 0.477 1014 D N 1.562 121.946 120.400 -0.026 0.000 2.149 1014 D HA -0.066 4.561 4.640 -0.021 0.000 0.201 1014 D C 2.109 178.388 176.300 -0.034 0.000 0.972 1014 D CA 0.410 54.422 54.000 0.019 0.000 0.835 1014 D CB -0.312 40.500 40.800 0.021 0.000 0.966 1014 D HN 0.134 nan 8.370 nan 0.000 0.476 1015 L N 0.868 122.049 121.223 -0.070 0.000 2.017 1015 L HA -0.181 4.146 4.340 -0.021 0.000 0.208 1015 L C 2.154 179.009 176.870 -0.026 0.000 1.073 1015 L CA 1.576 56.368 54.840 -0.080 0.000 0.745 1015 L CB -0.471 41.532 42.059 -0.094 0.000 0.894 1015 L HN -0.036 nan 8.230 nan 0.000 0.432 1016 A N -0.503 122.321 122.820 0.007 0.000 1.940 1016 A HA -0.322 3.986 4.320 -0.021 0.000 0.219 1016 A C 2.094 179.758 177.584 0.134 0.000 1.176 1016 A CA 1.986 54.086 52.037 0.103 0.000 0.631 1016 A CB -0.607 18.500 19.000 0.179 0.000 0.814 1016 A HN 0.581 nan 8.150 nan 0.000 0.446 1017 Q N -0.660 119.198 119.800 0.095 0.000 2.050 1017 Q HA -0.138 4.189 4.340 -0.021 0.000 0.202 1017 Q C 1.867 177.932 176.000 0.109 0.000 0.980 1017 Q CA 1.858 57.721 55.803 0.101 0.000 0.840 1017 Q CB -0.515 28.294 28.738 0.118 0.000 0.898 1017 Q HN 0.526 nan 8.270 nan 0.000 0.424 1018 L N -0.225 121.010 121.223 0.021 0.000 2.056 1018 L HA -0.041 4.287 4.340 -0.021 0.000 0.207 1018 L C 2.035 178.908 176.870 0.006 0.000 1.078 1018 L CA 1.542 56.377 54.840 -0.008 0.000 0.749 1018 L CB -0.491 41.517 42.059 -0.086 0.000 0.901 1018 L HN 0.369 nan 8.230 nan 0.000 0.433 1019 I N -1.606 118.960 120.570 -0.006 0.000 2.208 1019 I HA -0.373 3.784 4.170 -0.021 0.000 0.245 1019 I C 2.382 178.477 176.117 -0.037 0.000 1.097 1019 I CA 1.815 63.068 61.300 -0.080 0.000 1.363 1019 I CB -0.518 37.465 38.000 -0.030 0.000 1.051 1019 I HN 0.333 nan 8.210 nan 0.000 0.413 1020 Y N 2.043 122.352 120.300 0.014 0.000 2.128 1020 Y HA -0.334 4.203 4.550 -0.021 0.000 0.284 1020 Y C 2.264 178.199 175.900 0.059 0.000 1.154 1020 Y CA 1.943 60.093 58.100 0.084 0.000 1.149 1020 Y CB -0.166 38.347 38.460 0.087 0.000 0.976 1020 Y HN 0.216 nan 8.280 nan 0.000 0.505 1021 D N 0.140 120.699 120.400 0.264 0.000 2.144 1021 D HA -0.192 4.436 4.640 -0.021 0.000 0.199 1021 D C 2.228 178.568 176.300 0.067 0.000 0.984 1021 D CA 1.595 55.715 54.000 0.199 0.000 0.834 1021 D CB -0.380 40.551 40.800 0.219 0.000 0.955 1021 D HN 0.418 nan 8.370 nan 0.000 0.465 1022 L N 0.154 121.360 121.223 -0.028 0.000 2.044 1022 L HA -0.126 4.202 4.340 -0.021 0.000 0.205 1022 L C 2.445 179.247 176.870 -0.114 0.000 1.075 1022 L CA 0.893 55.656 54.840 -0.128 0.000 0.747 1022 L CB -0.498 41.446 42.059 -0.192 0.000 0.903 1022 L HN 0.104 nan 8.230 nan 0.000 0.435 1023 H N -0.397 118.618 119.070 -0.092 0.000 2.421 1023 H HA -0.199 4.345 4.556 -0.021 0.000 0.298 1023 H C 2.208 177.435 175.328 -0.169 0.000 1.087 1023 H CA 1.471 57.441 56.048 -0.130 0.000 1.330 1023 H CB -0.065 29.610 29.762 -0.144 0.000 1.388 1023 H HN 0.315 nan 8.280 nan 0.000 0.526 1024 Q N 0.654 120.414 119.800 -0.066 0.000 2.020 1024 Q HA -0.074 4.254 4.340 -0.021 0.000 0.202 1024 Q C 2.450 178.414 176.000 -0.060 0.000 0.982 1024 Q CA 1.365 57.107 55.803 -0.102 0.000 0.838 1024 Q CB -0.394 28.303 28.738 -0.068 0.000 0.899 1024 Q HN 0.516 nan 8.270 nan 0.000 0.423 1025 I N -0.466 120.069 120.570 -0.059 0.000 2.353 1025 I HA -0.124 4.034 4.170 -0.021 0.000 0.248 1025 I C 0.100 176.154 176.117 -0.104 0.000 1.119 1025 I CA 0.807 62.053 61.300 -0.090 0.000 1.417 1025 I CB 0.306 38.202 38.000 -0.174 0.000 1.078 1025 I HN 0.187 nan 8.210 nan 0.000 0.421 1026 N N 0.441 119.081 118.700 -0.099 0.000 2.727 1026 N HA 0.233 4.960 4.740 -0.021 0.000 0.252 1026 N C -2.086 173.396 175.510 -0.046 0.000 1.283 1026 N CA -1.977 51.018 53.050 -0.092 0.000 0.782 1026 N CB 0.932 39.343 38.487 -0.127 0.000 1.199 1026 N HN -0.009 nan 8.380 nan 0.000 0.520 1027 P HA -0.065 nan 4.420 nan 0.000 0.222 1027 P C 0.407 177.674 177.300 -0.055 0.000 1.147 1027 P CA 1.100 64.171 63.100 -0.048 0.000 0.790 1027 P CB 0.568 32.222 31.700 -0.077 0.000 0.780 1028 E N -0.561 119.604 120.200 -0.058 0.000 2.435 1028 E HA 0.160 4.498 4.350 -0.021 0.000 0.195 1028 E C 0.673 177.240 176.600 -0.056 0.000 1.029 1028 E CA -0.194 56.168 56.400 -0.064 0.000 0.865 1028 E CB 0.049 29.706 29.700 -0.071 0.000 0.833 1028 E HN 0.169 nan 8.360 nan 0.000 0.510 1029 A N 1.582 124.379 122.820 -0.038 0.000 2.289 1029 A HA 0.207 4.514 4.320 -0.021 0.000 0.298 1029 A C -0.130 177.458 177.584 0.006 0.000 1.208 1029 A CA -0.449 51.561 52.037 -0.044 0.000 0.845 1029 A CB 0.509 19.459 19.000 -0.082 0.000 1.125 1029 A HN 0.037 nan 8.150 nan 0.000 0.517 1030 Q N 0.817 120.602 119.800 -0.025 0.000 2.364 1030 Q HA 0.323 4.650 4.340 -0.021 0.000 0.267 1030 Q C -0.733 175.251 176.000 -0.027 0.000 0.999 1030 Q CA 0.095 55.893 55.803 -0.009 0.000 0.886 1030 Q CB 1.147 29.852 28.738 -0.056 0.000 1.243 1030 Q HN 0.512 nan 8.270 nan 0.000 0.415 1031 V N 2.972 122.878 119.914 -0.014 0.000 2.347 1031 V HA 0.217 4.324 4.120 -0.021 0.000 0.280 1031 V C 0.007 176.067 176.094 -0.056 0.000 1.021 1031 V CA -0.410 61.834 62.300 -0.094 0.000 0.847 1031 V CB 1.324 32.996 31.823 -0.251 0.000 0.990 1031 V HN 0.872 nan 8.190 nan 0.000 0.444 1032 S N 4.730 120.395 115.700 -0.059 0.000 2.651 1032 S HA 0.813 5.270 4.470 -0.021 0.000 0.291 1032 S C -0.685 173.892 174.600 -0.040 0.000 1.141 1032 S CA -0.746 57.429 58.200 -0.042 0.000 1.027 1032 S CB 2.029 65.204 63.200 -0.042 0.000 1.043 1032 S HN 0.375 nan 8.310 nan 0.000 0.530 1033 V N 1.796 121.695 119.914 -0.025 0.000 2.444 1033 V HA 0.484 4.591 4.120 -0.021 0.000 0.294 1033 V C -0.173 175.920 176.094 -0.002 0.000 1.022 1033 V CA -0.761 61.525 62.300 -0.022 0.000 0.850 1033 V CB 1.532 33.342 31.823 -0.021 0.000 0.992 1033 V HN 0.992 nan 8.190 nan 0.000 0.426 1034 K N 5.719 126.124 120.400 0.008 0.000 2.253 1034 K HA 0.698 5.005 4.320 -0.021 0.000 0.277 1034 K C -1.236 175.396 176.600 0.053 0.000 1.053 1034 K CA -0.400 55.903 56.287 0.027 0.000 0.892 1034 K CB 0.691 33.208 32.500 0.028 0.000 1.102 1034 K HN 0.628 nan 8.250 nan 0.000 0.469 1035 L N 3.301 124.567 121.223 0.071 0.000 2.303 1035 L HA 0.568 4.895 4.340 -0.021 0.000 0.266 1035 L C -0.638 176.322 176.870 0.150 0.000 1.011 1035 L CA -1.479 53.433 54.840 0.120 0.000 0.818 1035 L CB 2.052 44.179 42.059 0.113 0.000 1.326 1035 L HN 0.288 nan 8.230 nan 0.000 0.435 1036 V N 0.947 121.007 119.914 0.242 0.000 2.513 1036 V HA 0.522 4.630 4.120 -0.021 0.000 0.299 1036 V C 0.357 176.681 176.094 0.384 0.000 1.035 1036 V CA -0.812 61.656 62.300 0.280 0.000 0.889 1036 V CB 1.734 33.659 31.823 0.170 0.000 0.988 1036 V HN 0.873 nan 8.190 nan 0.000 0.440 1037 A N 4.751 127.752 122.820 0.301 0.000 2.540 1037 A HA 0.526 4.833 4.320 -0.021 0.000 0.239 1037 A C 0.230 177.968 177.584 0.257 0.000 1.061 1037 A CA 0.305 52.490 52.037 0.247 0.000 0.758 1037 A CB -0.093 19.048 19.000 0.235 0.000 0.991 1037 A HN 1.087 nan 8.150 nan 0.000 0.502 1038 E N 1.419 121.689 120.200 0.117 0.000 2.393 1038 E HA 0.348 4.685 4.350 -0.021 0.000 0.282 1038 E C -0.963 175.621 176.600 -0.027 0.000 1.096 1038 E CA -1.037 55.377 56.400 0.024 0.000 0.866 1038 E CB 0.276 29.868 29.700 -0.179 0.000 1.232 1038 E HN 0.624 nan 8.360 nan 0.000 0.431 1039 I N 1.828 122.383 120.570 -0.025 0.000 2.845 1039 I HA 0.267 4.425 4.170 -0.021 0.000 0.296 1039 I C 1.326 177.409 176.117 -0.056 0.000 1.216 1039 I CA 2.378 63.664 61.300 -0.024 0.000 1.438 1039 I CB 0.239 38.233 38.000 -0.009 0.000 1.342 1039 I HN 0.916 nan 8.210 nan 0.000 0.577 1040 G N 5.752 114.531 108.800 -0.036 0.000 2.213 1040 G HA2 -0.305 3.643 3.960 -0.021 0.000 0.236 1040 G HA3 -0.305 3.643 3.960 -0.021 0.000 0.236 1040 G C 1.037 175.916 174.900 -0.035 0.000 0.991 1040 G CA 0.347 45.422 45.100 -0.042 0.000 0.629 1040 G HN 0.752 nan 8.290 nan 0.000 0.517 1041 I N 1.505 122.060 120.570 -0.026 0.000 2.423 1041 I HA 0.008 4.166 4.170 -0.021 0.000 0.254 1041 I C 2.544 178.673 176.117 0.019 0.000 1.151 1041 I CA 2.210 63.514 61.300 0.007 0.000 1.421 1041 I CB -0.351 37.675 38.000 0.044 0.000 1.079 1041 I HN 0.282 nan 8.210 nan 0.000 0.431 1042 G N -0.267 108.542 108.800 0.015 0.000 2.453 1042 G HA2 -0.257 3.690 3.960 -0.021 0.000 0.215 1042 G HA3 -0.257 3.690 3.960 -0.021 0.000 0.215 1042 G C 1.501 176.408 174.900 0.012 0.000 1.201 1042 G CA 1.269 46.378 45.100 0.015 0.000 0.784 1042 G HN 0.326 nan 8.290 nan 0.000 0.545 1043 T N 1.401 115.960 114.554 0.009 0.000 2.665 1043 T HA -0.125 4.212 4.350 -0.021 0.000 0.268 1043 T C 2.401 177.114 174.700 0.021 0.000 1.035 1043 T CA 1.303 63.412 62.100 0.015 0.000 1.151 1043 T CB -0.223 68.651 68.868 0.010 0.000 0.862 1043 T HN 0.243 nan 8.240 nan 0.000 0.438 1044 I N 1.203 121.780 120.570 0.013 0.000 2.179 1044 I HA -0.202 3.955 4.170 -0.021 0.000 0.242 1044 I C 2.892 179.024 176.117 0.025 0.000 1.088 1044 I CA 1.227 62.535 61.300 0.013 0.000 1.357 1044 I CB -0.493 37.511 38.000 0.006 0.000 1.051 1044 I HN 0.190 nan 8.210 nan 0.000 0.409 1045 A N 0.687 123.525 122.820 0.029 0.000 1.940 1045 A HA -0.208 4.099 4.320 -0.021 0.000 0.219 1045 A C 2.533 180.142 177.584 0.041 0.000 1.176 1045 A CA 1.963 54.021 52.037 0.035 0.000 0.631 1045 A CB -0.884 18.138 19.000 0.036 0.000 0.814 1045 A HN 0.455 nan 8.150 nan 0.000 0.446 1046 A N -0.470 122.373 122.820 0.039 0.000 1.902 1046 A HA 0.103 4.411 4.320 -0.021 0.000 0.217 1046 A C 2.435 180.073 177.584 0.090 0.000 1.181 1046 A CA 1.976 54.042 52.037 0.049 0.000 0.623 1046 A CB -1.428 17.594 19.000 0.037 0.000 0.818 1046 A HN 0.753 nan 8.150 nan 0.000 0.443 1047 G N -0.501 108.360 108.800 0.101 0.000 2.446 1047 G HA2 -0.149 3.798 3.960 -0.021 0.000 0.217 1047 G HA3 -0.149 3.798 3.960 -0.021 0.000 0.217 1047 G C 1.524 176.502 174.900 0.130 0.000 1.168 1047 G CA 1.301 46.492 45.100 0.152 0.000 0.771 1047 G HN 0.327 nan 8.290 nan 0.000 0.551 1048 V N 1.598 121.553 119.914 0.068 0.000 2.332 1048 V HA -0.161 3.947 4.120 -0.021 0.000 0.248 1048 V C 3.344 179.488 176.094 0.084 0.000 1.055 1048 V CA 2.089 64.423 62.300 0.057 0.000 1.038 1048 V CB -0.922 30.921 31.823 0.033 0.000 0.651 1048 V HN 0.491 nan 8.190 nan 0.000 0.450 1049 A N -0.249 122.618 122.820 0.078 0.000 1.908 1049 A HA -0.255 4.052 4.320 -0.021 0.000 0.218 1049 A C 2.258 179.884 177.584 0.069 0.000 1.181 1049 A CA 2.026 54.105 52.037 0.070 0.000 0.627 1049 A CB -0.460 18.572 19.000 0.053 0.000 0.818 1049 A HN 0.560 nan 8.150 nan 0.000 0.445 1050 K N -0.322 120.146 120.400 0.112 0.000 2.283 1050 K HA 0.047 4.354 4.320 -0.021 0.000 0.202 1050 K C 1.667 178.398 176.600 0.217 0.000 1.048 1050 K CA 0.794 57.154 56.287 0.122 0.000 0.948 1050 K CB -0.207 32.376 32.500 0.138 0.000 0.742 1050 K HN 0.430 nan 8.250 nan 0.000 0.458 1051 A N 1.088 124.065 122.820 0.262 0.000 2.259 1051 A HA -0.029 4.279 4.320 -0.021 0.000 0.208 1051 A C 0.454 178.146 177.584 0.179 0.000 1.201 1051 A CA 0.231 52.418 52.037 0.250 0.000 0.824 1051 A CB -0.616 18.475 19.000 0.152 0.000 0.838 1051 A HN 0.578 nan 8.150 nan 0.000 0.485 1052 N N -2.760 116.020 118.700 0.135 0.000 2.901 1052 N HA -0.172 4.556 4.740 -0.021 0.000 0.248 1052 N C 0.289 175.972 175.510 0.288 0.000 1.044 1052 N CA 0.117 53.255 53.050 0.147 0.000 0.847 1052 N CB -1.254 37.358 38.487 0.210 0.000 1.127 1052 N HN 0.681 nan 8.380 nan 0.000 0.562 1053 A N 0.313 123.252 122.820 0.197 0.000 2.483 1053 A HA 0.120 4.427 4.320 -0.021 0.000 0.238 1053 A C 0.960 178.705 177.584 0.269 0.000 1.070 1053 A CA 0.425 52.568 52.037 0.177 0.000 0.770 1053 A CB 0.249 19.296 19.000 0.078 0.000 1.008 1053 A HN 0.347 nan 8.150 nan 0.000 0.497 1054 D N 0.262 120.760 120.400 0.162 0.000 2.301 1054 D HA 0.182 4.810 4.640 -0.021 0.000 0.206 1054 D C 0.036 176.308 176.300 -0.045 0.000 0.979 1054 D CA 1.213 55.227 54.000 0.024 0.000 0.874 1054 D CB 0.289 41.050 40.800 -0.066 0.000 0.968 1054 D HN 0.516 nan 8.370 nan 0.000 0.510 1055 I N 0.861 121.414 120.570 -0.028 0.000 2.722 1055 I HA 0.309 4.466 4.170 -0.021 0.000 0.295 1055 I C -0.997 175.103 176.117 -0.028 0.000 1.161 1055 I CA -0.657 60.608 61.300 -0.058 0.000 1.032 1055 I CB 3.154 41.113 38.000 -0.069 0.000 1.244 1055 I HN -0.315 nan 8.210 nan 0.000 0.421 1056 I N 4.426 124.980 120.570 -0.026 0.000 2.436 1056 I HA 0.344 4.501 4.170 -0.021 0.000 0.289 1056 I C -0.554 175.554 176.117 -0.016 0.000 1.010 1056 I CA -0.523 60.773 61.300 -0.007 0.000 1.098 1056 I CB 1.976 39.985 38.000 0.015 0.000 1.266 1056 I HN 0.572 nan 8.210 nan 0.000 0.434 1057 Q N 6.658 126.451 119.800 -0.011 0.000 2.290 1057 Q HA 0.576 4.903 4.340 -0.021 0.000 0.259 1057 Q C -1.448 174.560 176.000 0.014 0.000 0.941 1057 Q CA -0.590 55.202 55.803 -0.019 0.000 0.912 1057 Q CB 1.584 30.307 28.738 -0.026 0.000 1.244 1057 Q HN 0.592 nan 8.270 nan 0.000 0.441 1058 I N 3.094 123.673 120.570 0.016 0.000 2.312 1058 I HA 0.240 4.398 4.170 -0.021 0.000 0.290 1058 I C -0.502 175.658 176.117 0.071 0.000 1.008 1058 I CA -0.025 61.318 61.300 0.071 0.000 1.226 1058 I CB 1.832 39.894 38.000 0.104 0.000 1.371 1058 I HN 0.525 nan 8.210 nan 0.000 0.468 1059 S N 3.973 119.736 115.700 0.104 0.000 2.462 1059 S HA 0.643 5.101 4.470 -0.021 0.000 0.294 1059 S C 0.407 175.128 174.600 0.203 0.000 1.144 1059 S CA -0.744 57.520 58.200 0.107 0.000 1.088 1059 S CB 1.511 64.754 63.200 0.072 0.000 1.009 1059 S HN 0.766 nan 8.310 nan 0.000 0.484 1060 G N 1.034 109.998 108.800 0.273 0.000 2.537 1060 G HA2 0.247 4.195 3.960 -0.021 0.000 0.273 1060 G HA3 0.247 4.195 3.960 -0.021 0.000 0.273 1060 G C 0.911 175.965 174.900 0.257 0.000 1.189 1060 G CA -0.487 44.841 45.100 0.379 0.000 0.881 1060 G HN 0.932 nan 8.290 nan 0.000 0.535 1061 H N -0.261 118.897 119.070 0.146 0.000 2.518 1061 H HA -0.069 4.475 4.556 -0.021 0.000 0.292 1061 H C 0.984 176.359 175.328 0.078 0.000 1.068 1061 H CA 1.420 57.525 56.048 0.094 0.000 1.275 1061 H CB 0.029 29.840 29.762 0.081 0.000 1.375 1061 H HN 0.428 nan 8.280 nan 0.000 0.563 1062 D N 1.174 121.301 120.400 -0.456 0.000 2.269 1062 D HA 0.056 4.684 4.640 -0.021 0.000 0.208 1062 D C 1.239 177.475 176.300 -0.106 0.000 0.963 1062 D CA 0.764 54.526 54.000 -0.395 0.000 0.864 1062 D CB -0.395 40.308 40.800 -0.162 0.000 0.936 1062 D HN 0.564 nan 8.370 nan 0.000 0.505 1063 G N -0.451 108.333 108.800 -0.027 0.000 2.554 1063 G HA2 0.385 4.333 3.960 -0.021 0.000 0.238 1063 G HA3 0.385 4.333 3.960 -0.021 0.000 0.238 1063 G C 0.696 175.599 174.900 0.004 0.000 1.259 1063 G CA 0.032 45.140 45.100 0.012 0.000 0.843 1063 G HN 0.184 nan 8.290 nan 0.000 0.582 1064 G N -1.169 107.641 108.800 0.016 0.000 2.653 1064 G HA2 0.501 4.448 3.960 -0.021 0.000 0.265 1064 G HA3 0.501 4.448 3.960 -0.021 0.000 0.265 1064 G C -0.040 174.861 174.900 0.001 0.000 1.237 1064 G CA 0.651 45.756 45.100 0.008 0.000 0.946 1064 G HN 1.056 nan 8.290 nan 0.000 0.522 1065 T N -2.800 111.747 114.554 -0.012 0.000 2.907 1065 T HA 0.458 4.796 4.350 -0.021 0.000 0.344 1065 T C 0.888 175.572 174.700 -0.025 0.000 1.675 1065 T CA 0.581 62.673 62.100 -0.013 0.000 1.076 1065 T CB 0.911 69.768 68.868 -0.018 0.000 1.483 1065 T HN 0.990 nan 8.240 nan 0.000 0.487 1066 G N 0.847 109.643 108.800 -0.007 0.000 2.683 1066 G HA2 0.547 4.495 3.960 -0.021 0.000 0.213 1066 G HA3 0.547 4.495 3.960 -0.021 0.000 0.213 1066 G C 0.423 175.329 174.900 0.009 0.000 1.142 1066 G CA 0.400 45.500 45.100 0.001 0.000 0.793 1066 G HN 1.398 nan 8.290 nan 0.000 0.534 1067 A N -0.631 122.183 122.820 -0.009 0.000 2.521 1067 A HA 0.660 4.967 4.320 -0.021 0.000 0.298 1067 A C -0.790 176.781 177.584 -0.021 0.000 1.044 1067 A CA -0.281 51.748 52.037 -0.013 0.000 0.911 1067 A CB 0.674 19.706 19.000 0.054 0.000 1.376 1067 A HN 0.298 nan 8.150 nan 0.000 0.392 1068 S N 1.966 117.639 115.700 -0.044 0.000 2.579 1068 S HA 0.806 5.264 4.470 -0.021 0.000 0.272 1068 S C -3.071 171.528 174.600 -0.001 0.000 1.141 1068 S CA -1.066 57.126 58.200 -0.014 0.000 0.843 1068 S CB 2.225 65.418 63.200 -0.011 0.000 1.122 1068 S HN 0.501 nan 8.310 nan 0.000 0.468 1069 P HA 0.111 nan 4.420 nan 0.000 0.265 1069 P C 0.712 178.036 177.300 0.039 0.000 1.193 1069 P CA -0.305 62.813 63.100 0.031 0.000 0.765 1069 P CB 0.391 32.112 31.700 0.035 0.000 0.823 1070 L N 4.358 125.611 121.223 0.051 0.000 2.079 1070 L HA -0.219 4.109 4.340 -0.021 0.000 0.210 1070 L C 2.125 179.001 176.870 0.009 0.000 1.081 1070 L CA 2.446 57.312 54.840 0.044 0.000 0.752 1070 L CB -1.405 40.663 42.059 0.015 0.000 0.896 1070 L HN 0.417 nan 8.230 nan 0.000 0.433 1071 S N -1.917 113.809 115.700 0.044 0.000 2.359 1071 S HA -0.199 4.259 4.470 -0.021 0.000 0.224 1071 S C 1.998 176.641 174.600 0.071 0.000 1.035 1071 S CA 1.473 59.736 58.200 0.106 0.000 1.018 1071 S CB -1.006 62.278 63.200 0.140 0.000 0.876 1071 S HN 0.522 nan 8.310 nan 0.000 0.448 1072 S N 2.195 117.927 115.700 0.054 0.000 2.383 1072 S HA 0.110 4.567 4.470 -0.021 0.000 0.227 1072 S C 1.821 176.425 174.600 0.006 0.000 1.026 1072 S CA 1.296 59.522 58.200 0.042 0.000 0.981 1072 S CB -0.607 62.607 63.200 0.024 0.000 0.818 1072 S HN 0.506 nan 8.310 nan 0.000 0.472 1073 I N 1.245 121.811 120.570 -0.007 0.000 2.264 1073 I HA -0.201 3.957 4.170 -0.021 0.000 0.248 1073 I C 2.209 178.291 176.117 -0.060 0.000 1.111 1073 I CA 1.140 62.434 61.300 -0.010 0.000 1.382 1073 I CB -0.143 37.877 38.000 0.034 0.000 1.060 1073 I HN 0.146 nan 8.210 nan 0.000 0.418 1074 K N -0.776 119.508 120.400 -0.193 0.000 2.323 1074 K HA 0.064 4.371 4.320 -0.021 0.000 0.197 1074 K C 1.150 177.429 176.600 -0.534 0.000 1.043 1074 K CA 0.892 56.921 56.287 -0.431 0.000 0.997 1074 K CB 0.155 32.236 32.500 -0.699 0.000 0.807 1074 K HN 0.437 nan 8.250 nan 0.000 0.497 1075 H N -1.561 117.464 119.070 -0.074 0.000 3.398 1075 H HA 0.339 4.882 4.556 -0.021 0.000 0.260 1075 H C -0.249 175.102 175.328 0.038 0.000 1.189 1075 H CA -0.206 55.746 56.048 -0.159 0.000 1.145 1075 H CB 1.051 30.485 29.762 -0.545 0.000 1.599 1075 H HN -0.036 nan 8.280 nan 0.000 0.615 1076 A N 0.824 123.743 122.820 0.166 0.000 2.335 1076 A HA 0.662 4.970 4.320 -0.021 0.000 0.304 1076 A C 0.380 178.070 177.584 0.178 0.000 1.118 1076 A CA -0.142 52.014 52.037 0.197 0.000 0.757 1076 A CB 1.076 20.154 19.000 0.128 0.000 1.188 1076 A HN 0.398 nan 8.150 nan 0.000 0.460 1077 G N 0.790 109.772 108.800 0.303 0.000 2.617 1077 G HA2 0.364 4.312 3.960 -0.021 0.000 0.686 1077 G HA3 0.364 4.312 3.960 -0.021 0.000 0.686 1077 G C -0.504 174.547 174.900 0.252 0.000 1.214 1077 G CA -0.303 45.005 45.100 0.346 0.000 0.796 1077 G HN 1.272 nan 8.290 nan 0.000 0.654 1078 S N 1.640 117.476 115.700 0.226 0.000 2.648 1078 S HA 0.857 5.315 4.470 -0.021 0.000 0.305 1078 S C -2.557 172.077 174.600 0.056 0.000 1.094 1078 S CA -1.143 57.079 58.200 0.038 0.000 0.983 1078 S CB 2.233 65.469 63.200 0.059 0.000 1.101 1078 S HN 0.651 nan 8.310 nan 0.000 0.514 1079 P HA 0.002 nan 4.420 nan 0.000 0.266 1079 P C 0.970 178.323 177.300 0.088 0.000 1.195 1079 P CA -0.161 62.947 63.100 0.013 0.000 0.768 1079 P CB 0.185 31.782 31.700 -0.173 0.000 0.838 1080 W N 2.960 124.356 121.300 0.160 0.000 2.392 1080 W HA -0.136 4.511 4.660 -0.021 0.000 0.279 1080 W C 0.690 177.255 176.519 0.076 0.000 1.225 1080 W CA 0.697 58.106 57.345 0.107 0.000 1.233 1080 W CB -1.208 28.306 29.460 0.090 0.000 1.122 1080 W HN 0.298 nan 8.180 nan 0.000 0.561 1081 E N 1.560 121.530 120.200 -0.383 0.000 2.070 1081 E HA -0.210 4.127 4.350 -0.021 0.000 0.197 1081 E C 2.338 178.935 176.600 -0.005 0.000 1.004 1081 E CA 2.537 58.757 56.400 -0.300 0.000 0.805 1081 E CB -0.829 28.584 29.700 -0.478 0.000 0.744 1081 E HN 0.313 nan 8.360 nan 0.000 0.451 1082 L N -0.458 120.754 121.223 -0.018 0.000 2.056 1082 L HA -0.051 4.277 4.340 -0.021 0.000 0.207 1082 L C 2.463 179.384 176.870 0.085 0.000 1.078 1082 L CA 1.213 56.067 54.840 0.024 0.000 0.749 1082 L CB -0.722 41.336 42.059 -0.002 0.000 0.901 1082 L HN 0.268 nan 8.230 nan 0.000 0.433 1083 G N -0.468 108.414 108.800 0.137 0.000 2.421 1083 G HA2 -0.185 3.763 3.960 -0.021 0.000 0.216 1083 G HA3 -0.185 3.763 3.960 -0.021 0.000 0.216 1083 G C 1.593 176.595 174.900 0.170 0.000 1.171 1083 G CA 0.878 46.073 45.100 0.158 0.000 0.775 1083 G HN 0.162 nan 8.290 nan 0.000 0.543 1084 V N 0.315 120.372 119.914 0.238 0.000 2.358 1084 V HA -0.138 3.969 4.120 -0.021 0.000 0.246 1084 V C 3.070 179.272 176.094 0.181 0.000 1.047 1084 V CA 2.263 64.692 62.300 0.214 0.000 1.035 1084 V CB -0.610 31.391 31.823 0.296 0.000 0.658 1084 V HN 0.392 nan 8.190 nan 0.000 0.452 1085 T N -0.818 113.841 114.554 0.175 0.000 2.708 1085 T HA -0.233 4.104 4.350 -0.021 0.000 0.266 1085 T C 1.924 176.693 174.700 0.115 0.000 1.037 1085 T CA 1.994 64.179 62.100 0.142 0.000 1.146 1085 T CB -0.107 68.825 68.868 0.107 0.000 0.865 1085 T HN 0.633 nan 8.240 nan 0.000 0.435 1086 E N -0.063 120.190 120.200 0.089 0.000 2.051 1086 E HA -0.108 4.229 4.350 -0.021 0.000 0.192 1086 E C 2.230 178.858 176.600 0.048 0.000 0.991 1086 E CA 1.112 57.544 56.400 0.055 0.000 0.799 1086 E CB -0.030 29.698 29.700 0.046 0.000 0.748 1086 E HN 0.290 nan 8.360 nan 0.000 0.449 1087 V N 0.523 120.480 119.914 0.072 0.000 2.295 1087 V HA -0.254 3.853 4.120 -0.021 0.000 0.246 1087 V C 2.343 178.463 176.094 0.045 0.000 1.049 1087 V CA 2.307 64.642 62.300 0.058 0.000 1.024 1087 V CB -0.795 31.073 31.823 0.076 0.000 0.648 1087 V HN 0.438 nan 8.190 nan 0.000 0.447 1088 H N 0.701 119.758 119.070 -0.021 0.000 2.319 1088 H HA -0.209 4.335 4.556 -0.021 0.000 0.299 1088 H C 2.460 177.714 175.328 -0.124 0.000 1.092 1088 H CA 2.494 58.491 56.048 -0.085 0.000 1.302 1088 H CB -0.167 29.549 29.762 -0.078 0.000 1.373 1088 H HN 0.282 nan 8.280 nan 0.000 0.497 1089 R N -0.155 120.260 120.500 -0.142 0.000 2.073 1089 R HA -0.109 4.218 4.340 -0.021 0.000 0.234 1089 R C 2.156 178.353 176.300 -0.171 0.000 1.134 1089 R CA 1.844 57.835 56.100 -0.181 0.000 0.952 1089 R CB -0.412 29.857 30.300 -0.052 0.000 0.850 1089 R HN 0.301 nan 8.270 nan 0.000 0.433 1090 V N 1.409 121.264 119.914 -0.099 0.000 2.358 1090 V HA -0.217 3.890 4.120 -0.021 0.000 0.246 1090 V C 2.393 178.434 176.094 -0.089 0.000 1.047 1090 V CA 1.569 63.827 62.300 -0.071 0.000 1.035 1090 V CB -0.358 31.448 31.823 -0.030 0.000 0.658 1090 V HN 0.338 nan 8.190 nan 0.000 0.452 1091 L N -1.135 120.022 121.223 -0.110 0.000 2.046 1091 L HA -0.188 4.140 4.340 -0.021 0.000 0.208 1091 L C 2.645 179.419 176.870 -0.160 0.000 1.077 1091 L CA 1.410 56.188 54.840 -0.103 0.000 0.747 1091 L CB -0.501 41.512 42.059 -0.077 0.000 0.896 1091 L HN 0.293 nan 8.230 nan 0.000 0.432 1092 M N -0.726 118.694 119.600 -0.299 0.000 2.117 1092 M HA -0.171 4.297 4.480 -0.021 0.000 0.262 1092 M C 2.152 178.340 176.300 -0.187 0.000 1.065 1092 M CA 1.558 56.657 55.300 -0.336 0.000 1.114 1092 M CB -0.783 31.482 32.600 -0.558 0.000 1.361 1092 M HN 0.221 nan 8.290 nan 0.000 0.408 1093 E N 0.016 120.125 120.200 -0.153 0.000 2.274 1093 E HA -0.050 4.288 4.350 -0.021 0.000 0.194 1093 E C 1.291 177.855 176.600 -0.059 0.000 0.996 1093 E CA 0.631 56.976 56.400 -0.091 0.000 0.840 1093 E CB -0.413 29.242 29.700 -0.075 0.000 0.772 1093 E HN 0.543 nan 8.360 nan 0.000 0.491 1094 N N 0.912 119.577 118.700 -0.058 0.000 2.336 1094 N HA -0.019 4.709 4.740 -0.021 0.000 0.189 1094 N C -0.266 175.227 175.510 -0.027 0.000 1.113 1094 N CA 0.061 53.091 53.050 -0.034 0.000 0.858 1094 N CB 0.402 38.874 38.487 -0.024 0.000 0.970 1094 N HN 0.171 nan 8.380 nan 0.000 0.471 1095 Q N -0.213 119.566 119.800 -0.035 0.000 2.475 1095 Q HA -0.165 4.163 4.340 -0.021 0.000 0.280 1095 Q C 0.302 176.306 176.000 0.007 0.000 1.234 1095 Q CA 0.324 56.120 55.803 -0.012 0.000 0.873 1095 Q CB -1.661 27.078 28.738 0.002 0.000 1.256 1095 Q HN 0.415 nan 8.270 nan 0.000 0.475 1096 L N -1.422 119.800 121.223 -0.002 0.000 2.766 1096 L HA 0.139 4.467 4.340 -0.021 0.000 0.242 1096 L C 1.989 178.893 176.870 0.056 0.000 1.136 1096 L CA -0.186 54.667 54.840 0.022 0.000 0.933 1096 L CB 0.051 42.115 42.059 0.010 0.000 1.241 1096 L HN 0.033 nan 8.230 nan 0.000 0.522 1097 R N 1.614 122.142 120.500 0.046 0.000 2.120 1097 R HA -0.184 4.143 4.340 -0.021 0.000 0.234 1097 R C 1.814 178.296 176.300 0.304 0.000 1.123 1097 R CA 1.952 58.112 56.100 0.099 0.000 0.975 1097 R CB -0.375 29.881 30.300 -0.074 0.000 0.866 1097 R HN 0.482 nan 8.270 nan 0.000 0.446 1098 D N -0.707 119.882 120.400 0.316 0.000 2.312 1098 D HA -0.150 4.477 4.640 -0.021 0.000 0.211 1098 D C 1.188 177.736 176.300 0.413 0.000 0.964 1098 D CA 0.775 55.013 54.000 0.397 0.000 0.877 1098 D CB -0.287 40.668 40.800 0.259 0.000 0.924 1098 D HN 0.277 nan 8.370 nan 0.000 0.515 1099 R N 0.120 120.771 120.500 0.252 0.000 2.193 1099 R HA 0.108 4.436 4.340 -0.021 0.000 0.213 1099 R C 0.554 176.988 176.300 0.225 0.000 1.055 1099 R CA 0.578 56.816 56.100 0.231 0.000 0.995 1099 R CB 0.379 30.726 30.300 0.079 0.000 0.893 1099 R HN 0.250 nan 8.270 nan 0.000 0.459 1100 V N -1.383 118.567 119.914 0.059 0.000 2.925 1100 V HA 0.418 4.525 4.120 -0.021 0.000 0.311 1100 V C -0.725 175.143 176.094 -0.375 0.000 1.104 1100 V CA -1.582 60.657 62.300 -0.102 0.000 0.954 1100 V CB 2.018 33.841 31.823 0.001 0.000 1.022 1100 V HN -0.158 nan 8.190 nan 0.000 0.427 1101 L N 4.486 125.433 121.223 -0.460 0.000 2.312 1101 L HA 0.626 4.954 4.340 -0.021 0.000 0.281 1101 L C -0.684 176.131 176.870 -0.092 0.000 1.070 1101 L CA -0.467 54.194 54.840 -0.300 0.000 0.805 1101 L CB 0.853 42.761 42.059 -0.253 0.000 1.174 1101 L HN 0.786 nan 8.230 nan 0.000 0.434 1102 L N 5.393 126.610 121.223 -0.011 0.000 2.272 1102 L HA 0.508 4.836 4.340 -0.021 0.000 0.289 1102 L C 0.105 176.916 176.870 -0.097 0.000 1.032 1102 L CA -0.466 54.364 54.840 -0.017 0.000 0.810 1102 L CB 1.421 43.509 42.059 0.048 0.000 1.205 1102 L HN 0.715 nan 8.230 nan 0.000 0.422 1103 R N 2.366 122.797 120.500 -0.114 0.000 2.589 1103 R HA 0.799 5.127 4.340 -0.021 0.000 0.293 1103 R C -0.979 175.218 176.300 -0.171 0.000 0.963 1103 R CA -0.268 55.721 56.100 -0.185 0.000 0.905 1103 R CB 1.944 32.158 30.300 -0.143 0.000 1.144 1103 R HN 0.735 nan 8.270 nan 0.000 0.459 1104 A N 2.768 125.435 122.820 -0.256 0.000 2.386 1104 A HA 0.595 4.902 4.320 -0.021 0.000 0.311 1104 A C -1.589 175.773 177.584 -0.370 0.000 1.068 1104 A CA -0.651 51.203 52.037 -0.304 0.000 0.743 1104 A CB 1.366 20.088 19.000 -0.463 0.000 1.258 1104 A HN 0.838 nan 8.150 nan 0.000 0.429 1105 D N -0.651 119.553 120.400 -0.327 0.000 2.626 1105 D HA 0.683 5.310 4.640 -0.021 0.000 0.278 1105 D C -0.280 175.924 176.300 -0.160 0.000 1.211 1105 D CA 0.009 53.831 54.000 -0.297 0.000 0.903 1105 D CB 1.073 41.770 40.800 -0.171 0.000 1.408 1105 D HN 1.931 nan 8.370 nan 0.000 0.454 1106 G N -1.427 107.348 108.800 -0.041 0.000 2.992 1106 G HA2 0.483 4.430 3.960 -0.021 0.000 0.677 1106 G HA3 0.483 4.430 3.960 -0.021 0.000 0.677 1106 G C 0.748 175.803 174.900 0.257 0.000 1.191 1106 G CA 0.371 45.560 45.100 0.148 0.000 1.178 1106 G HN 1.821 nan 8.290 nan 0.000 0.506 1107 G N -0.074 108.830 108.800 0.174 0.000 2.168 1107 G HA2 -0.169 3.778 3.960 -0.021 0.000 0.257 1107 G HA3 -0.169 3.778 3.960 -0.021 0.000 0.257 1107 G C 0.607 175.666 174.900 0.264 0.000 0.997 1107 G CA 0.686 45.918 45.100 0.220 0.000 0.708 1107 G HN 1.538 nan 8.290 nan 0.000 0.520 1108 L N -0.901 120.416 121.223 0.157 0.000 2.331 1108 L HA 0.499 4.826 4.340 -0.021 0.000 0.278 1108 L C 1.338 178.434 176.870 0.376 0.000 1.106 1108 L CA -0.005 54.915 54.840 0.133 0.000 0.824 1108 L CB 1.206 43.063 42.059 -0.337 0.000 1.142 1108 L HN 0.159 nan 8.230 nan 0.000 0.443 1109 K N 0.452 121.140 120.400 0.481 0.000 2.585 1109 K HA 0.198 4.506 4.320 -0.021 0.000 0.210 1109 K C 0.140 177.064 176.600 0.541 0.000 1.504 1109 K CA 0.071 56.695 56.287 0.562 0.000 1.029 1109 K CB 1.380 34.143 32.500 0.438 0.000 1.332 1109 K HN 0.537 nan 8.250 nan 0.000 0.569 1110 T N -1.230 113.593 114.554 0.448 0.000 2.896 1110 T HA 0.319 4.657 4.350 -0.021 0.000 0.297 1110 T C 0.750 175.640 174.700 0.315 0.000 1.108 1110 T CA -0.310 62.011 62.100 0.369 0.000 1.004 1110 T CB 1.824 70.922 68.868 0.383 0.000 1.159 1110 T HN 0.198 nan 8.240 nan 0.000 0.499 1111 G N 0.261 109.227 108.800 0.276 0.000 2.442 1111 G HA2 -0.202 3.746 3.960 -0.021 0.000 0.219 1111 G HA3 -0.202 3.746 3.960 -0.021 0.000 0.219 1111 G C 1.303 176.372 174.900 0.282 0.000 1.141 1111 G CA 0.832 46.078 45.100 0.244 0.000 0.763 1111 G HN 0.792 nan 8.290 nan 0.000 0.554 1112 W N 1.750 123.157 121.300 0.179 0.000 2.358 1112 W HA -0.068 4.579 4.660 -0.021 0.000 0.303 1112 W C 2.011 178.670 176.519 0.233 0.000 1.208 1112 W CA 1.561 59.044 57.345 0.231 0.000 1.274 1112 W CB 0.062 29.647 29.460 0.207 0.000 1.138 1112 W HN 0.156 nan 8.180 nan 0.000 0.515 1113 D N -0.091 120.522 120.400 0.354 0.000 2.104 1113 D HA -0.204 4.424 4.640 -0.021 0.000 0.194 1113 D C 2.326 178.641 176.300 0.026 0.000 0.994 1113 D CA 2.099 56.225 54.000 0.210 0.000 0.830 1113 D CB -0.800 40.203 40.800 0.338 0.000 0.959 1113 D HN 0.143 nan 8.370 nan 0.000 0.452 1114 V N 0.798 120.695 119.914 -0.028 0.000 2.343 1114 V HA -0.193 3.915 4.120 -0.021 0.000 0.247 1114 V C 2.674 178.590 176.094 -0.296 0.000 1.051 1114 V CA 1.001 63.112 62.300 -0.315 0.000 1.036 1114 V CB -0.368 31.280 31.823 -0.291 0.000 0.654 1114 V HN 0.050 nan 8.190 nan 0.000 0.451 1115 V N -0.748 119.092 119.914 -0.122 0.000 2.358 1115 V HA -0.265 3.843 4.120 -0.021 0.000 0.246 1115 V C 2.504 178.582 176.094 -0.026 0.000 1.047 1115 V CA 1.703 63.959 62.300 -0.073 0.000 1.035 1115 V CB -0.549 31.250 31.823 -0.040 0.000 0.658 1115 V HN 0.400 nan 8.190 nan 0.000 0.452 1116 M N -0.083 119.462 119.600 -0.091 0.000 2.117 1116 M HA -0.139 4.328 4.480 -0.021 0.000 0.262 1116 M C 2.409 178.803 176.300 0.157 0.000 1.065 1116 M CA 2.272 57.542 55.300 -0.050 0.000 1.114 1116 M CB -1.462 30.953 32.600 -0.308 0.000 1.361 1116 M HN 0.406 nan 8.290 nan 0.000 0.408 1117 A N -0.035 122.873 122.820 0.147 0.000 1.902 1117 A HA 0.008 4.316 4.320 -0.021 0.000 0.217 1117 A C 2.425 180.112 177.584 0.172 0.000 1.181 1117 A CA 2.085 54.181 52.037 0.098 0.000 0.623 1117 A CB -0.898 17.978 19.000 -0.208 0.000 0.818 1117 A HN 0.478 nan 8.150 nan 0.000 0.443 1118 A N -0.082 122.834 122.820 0.161 0.000 1.877 1118 A HA -0.064 4.244 4.320 -0.021 0.000 0.216 1118 A C 2.148 179.792 177.584 0.100 0.000 1.186 1118 A CA 1.523 53.674 52.037 0.190 0.000 0.620 1118 A CB -0.707 18.370 19.000 0.129 0.000 0.822 1118 A HN 0.470 nan 8.150 nan 0.000 0.443 1119 L N -1.271 119.999 121.223 0.078 0.000 2.127 1119 L HA -0.184 4.144 4.340 -0.021 0.000 0.211 1119 L C 2.610 179.508 176.870 0.047 0.000 1.089 1119 L CA 1.423 56.302 54.840 0.065 0.000 0.757 1119 L CB -0.410 41.709 42.059 0.100 0.000 0.899 1119 L HN 0.414 nan 8.230 nan 0.000 0.434 1120 M N -1.337 118.311 119.600 0.080 0.000 2.618 1120 M HA 0.067 4.535 4.480 -0.021 0.000 0.240 1120 M C 1.313 177.572 176.300 -0.069 0.000 1.123 1120 M CA 0.965 56.306 55.300 0.068 0.000 1.060 1120 M CB 0.335 33.056 32.600 0.201 0.000 1.535 1120 M HN 0.455 nan 8.290 nan 0.000 0.507 1121 G N -0.217 108.495 108.800 -0.147 0.000 2.318 1121 G HA2 -0.067 3.881 3.960 -0.021 0.000 0.172 1121 G HA3 -0.067 3.881 3.960 -0.021 0.000 0.172 1121 G C 0.064 174.929 174.900 -0.058 0.000 1.002 1121 G CA -0.231 44.643 45.100 -0.377 0.000 0.697 1121 G HN 0.565 nan 8.290 nan 0.000 0.483 1122 A N 0.311 123.153 122.820 0.036 0.000 2.363 1122 A HA 0.747 5.054 4.320 -0.021 0.000 0.270 1122 A C 0.838 178.423 177.584 0.002 0.000 1.121 1122 A CA 0.626 52.665 52.037 0.003 0.000 0.800 1122 A CB 0.511 19.474 19.000 -0.061 0.000 1.052 1122 A HN 0.361 nan 8.150 nan 0.000 0.493 1123 E N 0.923 121.047 120.200 -0.127 0.000 2.364 1123 E HA 0.075 4.412 4.350 -0.021 0.000 0.196 1123 E C -0.068 176.233 176.600 -0.499 0.000 0.990 1123 E CA 0.538 56.862 56.400 -0.126 0.000 0.886 1123 E CB 0.428 30.146 29.700 0.029 0.000 0.866 1123 E HN 0.816 nan 8.360 nan 0.000 0.493 1124 E N -0.414 119.290 120.200 -0.825 0.000 2.393 1124 E HA 0.415 4.753 4.350 -0.021 0.000 0.273 1124 E C -1.478 174.440 176.600 -1.137 0.000 0.918 1124 E CA -0.794 55.064 56.400 -0.905 0.000 0.773 1124 E CB 1.907 31.418 29.700 -0.315 0.000 1.275 1124 E HN -0.050 nan 8.360 nan 0.000 0.451 1125 Y N -0.743 119.595 120.300 0.062 0.000 2.354 1125 Y HA 0.519 5.057 4.550 -0.021 0.000 0.330 1125 Y C 0.281 176.072 175.900 -0.182 0.000 1.011 1125 Y CA -1.105 56.921 58.100 -0.123 0.000 1.099 1125 Y CB 2.184 40.619 38.460 -0.041 0.000 1.179 1125 Y HN 0.565 nan 8.280 nan 0.000 0.442 1126 G N 2.212 110.839 108.800 -0.288 0.000 2.371 1126 G HA2 0.685 4.632 3.960 -0.021 0.000 0.326 1126 G HA3 0.685 4.632 3.960 -0.021 0.000 0.326 1126 G C -1.656 173.009 174.900 -0.392 0.000 1.127 1126 G CA -0.544 44.454 45.100 -0.170 0.000 0.885 1126 G HN 0.386 nan 8.290 nan 0.000 0.477 1127 F N 0.997 121.027 119.950 0.133 0.000 2.536 1127 F HA 0.552 5.066 4.527 -0.021 0.000 0.322 1127 F C 0.856 176.736 175.800 0.134 0.000 1.144 1127 F CA -0.479 57.627 58.000 0.177 0.000 0.924 1127 F CB 2.516 41.727 39.000 0.352 0.000 1.181 1127 F HN 0.644 nan 8.300 nan 0.000 0.438 1128 G N 0.736 109.670 108.800 0.224 0.000 2.534 1128 G HA2 0.015 3.963 3.960 -0.021 0.000 0.220 1128 G HA3 0.015 3.963 3.960 -0.021 0.000 0.220 1128 G C 1.308 176.270 174.900 0.104 0.000 1.699 1128 G CA 0.341 45.523 45.100 0.138 0.000 0.769 1128 G HN 0.497 nan 8.290 nan 0.000 0.632 1129 S N 1.292 117.040 115.700 0.079 0.000 2.372 1129 S HA -0.192 4.265 4.470 -0.021 0.000 0.227 1129 S C 2.326 176.933 174.600 0.012 0.000 1.044 1129 S CA 1.882 60.108 58.200 0.043 0.000 1.050 1129 S CB -0.365 62.864 63.200 0.048 0.000 0.901 1129 S HN 0.322 nan 8.310 nan 0.000 0.447 1130 I N 2.168 122.763 120.570 0.042 0.000 2.394 1130 I HA -0.071 4.086 4.170 -0.021 0.000 0.251 1130 I C 2.453 178.362 176.117 -0.347 0.000 1.136 1130 I CA 0.893 62.140 61.300 -0.089 0.000 1.425 1130 I CB -0.997 37.039 38.000 0.060 0.000 1.079 1130 I HN 0.217 nan 8.210 nan 0.000 0.425 1131 A N 0.421 123.131 122.820 -0.184 0.000 1.930 1131 A HA -0.152 4.156 4.320 -0.021 0.000 0.217 1131 A C 2.371 179.873 177.584 -0.136 0.000 1.175 1131 A CA 1.667 53.577 52.037 -0.212 0.000 0.627 1131 A CB -0.643 18.410 19.000 0.088 0.000 0.815 1131 A HN 0.388 nan 8.150 nan 0.000 0.443 1132 M N -0.636 118.930 119.600 -0.058 0.000 2.159 1132 M HA -0.083 4.385 4.480 -0.021 0.000 0.263 1132 M C 2.006 178.266 176.300 -0.066 0.000 1.063 1132 M CA 1.421 56.709 55.300 -0.019 0.000 1.110 1132 M CB -0.475 32.125 32.600 0.000 0.000 1.374 1132 M HN 0.397 nan 8.290 nan 0.000 0.411 1133 I N 0.028 120.523 120.570 -0.126 0.000 2.179 1133 I HA -0.255 3.902 4.170 -0.021 0.000 0.242 1133 I C 2.649 178.675 176.117 -0.152 0.000 1.088 1133 I CA 1.220 62.431 61.300 -0.148 0.000 1.357 1133 I CB -0.604 37.312 38.000 -0.141 0.000 1.051 1133 I HN 0.255 nan 8.210 nan 0.000 0.409 1134 A N -0.019 122.645 122.820 -0.260 0.000 2.024 1134 A HA -0.221 4.087 4.320 -0.021 0.000 0.220 1134 A C 2.141 179.759 177.584 0.056 0.000 1.164 1134 A CA 1.607 53.534 52.037 -0.184 0.000 0.643 1134 A CB -0.519 18.181 19.000 -0.499 0.000 0.806 1134 A HN 0.472 nan 8.150 nan 0.000 0.451 1135 E N -2.202 118.002 120.200 0.007 0.000 2.478 1135 E HA 0.228 4.566 4.350 -0.021 0.000 0.194 1135 E C 1.134 177.642 176.600 -0.154 0.000 1.045 1135 E CA 0.375 56.813 56.400 0.063 0.000 0.868 1135 E CB 0.071 29.893 29.700 0.203 0.000 0.885 1135 E HN 0.727 nan 8.360 nan 0.000 0.505 1136 G N 1.054 109.642 108.800 -0.354 0.000 2.260 1136 G HA2 -0.233 3.715 3.960 -0.021 0.000 0.179 1136 G HA3 -0.233 3.715 3.960 -0.021 0.000 0.179 1136 G C 0.340 175.039 174.900 -0.334 0.000 1.002 1136 G CA -0.174 44.533 45.100 -0.655 0.000 0.677 1136 G HN 0.331 nan 8.290 nan 0.000 0.486 1137 C N 2.320 121.519 119.300 -0.169 0.000 2.538 1137 C HA 0.470 4.918 4.460 -0.021 0.000 0.408 1137 C C 2.055 176.962 174.990 -0.137 0.000 1.421 1137 C CA 0.584 59.537 59.018 -0.109 0.000 1.642 1137 C CB -1.068 26.634 27.740 -0.064 0.000 2.553 1137 C HN 0.830 nan 8.230 nan 0.000 0.604 1138 I N 4.245 124.745 120.570 -0.116 0.000 3.927 1138 I HA 0.318 4.475 4.170 -0.021 0.000 0.332 1138 I C 0.495 176.555 176.117 -0.096 0.000 1.485 1138 I CA -0.229 61.004 61.300 -0.113 0.000 1.131 1138 I CB -0.196 37.739 38.000 -0.109 0.000 1.092 1138 I HN 0.558 nan 8.210 nan 0.000 0.410 1139 M N 1.143 120.693 119.600 -0.084 0.000 2.360 1139 M HA -0.255 4.212 4.480 -0.021 0.000 0.202 1139 M C 1.353 177.616 176.300 -0.062 0.000 0.390 1139 M CA 0.847 56.102 55.300 -0.076 0.000 0.470 1139 M CB -2.142 30.401 32.600 -0.095 0.000 1.637 1139 M HN 0.690 nan 8.290 nan 0.000 0.885 1140 A N 0.186 122.974 122.820 -0.053 0.000 2.015 1140 A HA 0.011 4.318 4.320 -0.021 0.000 0.219 1140 A C 1.337 178.909 177.584 -0.021 0.000 1.163 1140 A CA 1.566 53.584 52.037 -0.031 0.000 0.646 1140 A CB -0.078 18.903 19.000 -0.032 0.000 0.806 1140 A HN 0.710 nan 8.150 nan 0.000 0.448 1141 R N -2.107 118.354 120.500 -0.064 0.000 3.336 1141 R HA -0.145 4.183 4.340 -0.021 0.000 0.260 1141 R C 0.123 176.344 176.300 -0.132 0.000 1.032 1141 R CA 0.622 56.630 56.100 -0.154 0.000 0.693 1141 R CB -2.572 27.636 30.300 -0.154 0.000 1.134 1141 R HN 0.946 nan 8.270 nan 0.000 0.433 1142 V N -4.393 115.479 119.914 -0.070 0.000 2.909 1142 V HA 0.141 4.248 4.120 -0.021 0.000 0.362 1142 V C 1.676 177.711 176.094 -0.098 0.000 1.356 1142 V CA -0.026 62.227 62.300 -0.080 0.000 1.195 1142 V CB 0.369 32.143 31.823 -0.081 0.000 1.256 1142 V HN 0.410 nan 8.190 nan 0.000 0.567 1143 C N 1.487 120.782 119.300 -0.009 0.000 2.413 1143 C HA -0.147 4.300 4.460 -0.021 0.000 0.277 1143 C C 2.566 177.569 174.990 0.023 0.000 1.265 1143 C CA 1.703 60.721 59.018 0.000 0.000 1.752 1143 C CB -1.462 26.274 27.740 -0.006 0.000 1.998 1143 C HN 0.943 nan 8.230 nan 0.000 0.489 1144 H N -0.771 118.247 119.070 -0.088 0.000 2.547 1144 H HA 0.046 4.589 4.556 -0.021 0.000 0.266 1144 H C 1.537 176.850 175.328 -0.024 0.000 0.988 1144 H CA 1.054 57.073 56.048 -0.048 0.000 1.147 1144 H CB -0.814 28.924 29.762 -0.040 0.000 1.365 1144 H HN 0.346 nan 8.280 nan 0.000 0.589 1145 T N 0.410 114.728 114.554 -0.393 0.000 3.014 1145 T HA -0.006 4.332 4.350 -0.021 0.000 0.250 1145 T C 0.716 175.325 174.700 -0.151 0.000 1.060 1145 T CA 0.537 62.428 62.100 -0.347 0.000 1.040 1145 T CB -0.150 68.448 68.868 -0.449 0.000 0.971 1145 T HN 0.450 nan 8.240 nan 0.000 0.497 1146 N N 1.118 119.754 118.700 -0.106 0.000 2.863 1146 N HA -0.146 4.582 4.740 -0.021 0.000 0.245 1146 N C -0.106 175.370 175.510 -0.056 0.000 1.001 1146 N CA 1.038 54.050 53.050 -0.063 0.000 0.901 1146 N CB -1.520 36.938 38.487 -0.048 0.000 1.124 1146 N HN 0.323 nan 8.380 nan 0.000 0.582 1147 N N -0.105 118.552 118.700 -0.071 0.000 2.251 1147 N HA 0.107 4.834 4.740 -0.021 0.000 0.217 1147 N C 0.002 175.487 175.510 -0.041 0.000 1.124 1147 N CA 0.087 53.106 53.050 -0.052 0.000 0.843 1147 N CB -0.301 38.154 38.487 -0.054 0.000 1.024 1147 N HN 0.437 nan 8.380 nan 0.000 0.501 1148 C N 4.028 123.305 119.300 -0.039 0.000 2.419 1148 C HA 0.012 4.460 4.460 -0.021 0.000 0.398 1148 C C -0.512 174.468 174.990 -0.016 0.000 1.498 1148 C CA -0.929 58.072 59.018 -0.027 0.000 1.494 1148 C CB 0.151 27.882 27.740 -0.016 0.000 2.485 1148 C HN 0.345 nan 8.230 nan 0.000 0.608 1149 P HA 0.006 nan 4.420 nan 0.000 0.242 1149 P C 0.681 177.971 177.300 -0.016 0.000 1.197 1149 P CA 1.060 64.149 63.100 -0.019 0.000 0.765 1149 P CB 0.155 31.840 31.700 -0.026 0.000 0.936 1150 V N -1.247 118.663 119.914 -0.006 0.000 3.398 1150 V HA 0.363 4.470 4.120 -0.021 0.000 0.298 1150 V C 1.318 177.463 176.094 0.084 0.000 1.496 1150 V CA 0.728 63.025 62.300 -0.004 0.000 1.044 1150 V CB -0.122 31.669 31.823 -0.054 0.000 0.880 1150 V HN 0.278 nan 8.190 nan 0.000 0.443 1151 G N 0.200 109.052 108.800 0.086 0.000 2.147 1151 G HA2 -0.240 3.708 3.960 -0.021 0.000 0.244 1151 G HA3 -0.240 3.708 3.960 -0.021 0.000 0.244 1151 G C 0.565 175.551 174.900 0.143 0.000 1.005 1151 G CA 0.645 45.820 45.100 0.125 0.000 0.713 1151 G HN 0.432 nan 8.290 nan 0.000 0.515 1152 V N -0.333 119.654 119.914 0.123 0.000 2.436 1152 V HA 0.462 4.570 4.120 -0.021 0.000 0.240 1152 V C 2.239 178.345 176.094 0.020 0.000 1.040 1152 V CA 2.143 64.502 62.300 0.098 0.000 1.052 1152 V CB 0.191 32.092 31.823 0.129 0.000 0.707 1152 V HN 1.127 nan 8.190 nan 0.000 0.469 1153 A N -0.059 122.769 122.820 0.013 0.000 3.159 1153 A HA 0.581 4.889 4.320 -0.021 0.000 0.301 1153 A C 0.314 177.890 177.584 -0.012 0.000 1.271 1153 A CA 0.235 52.272 52.037 0.000 0.000 0.998 1153 A CB -0.107 18.891 19.000 -0.004 0.000 1.101 1153 A HN 0.374 nan 8.150 nan 0.000 0.610 1154 T N -1.318 113.227 114.554 -0.016 0.000 2.923 1154 T HA 0.358 4.696 4.350 -0.021 0.000 0.311 1154 T C -0.247 174.434 174.700 -0.031 0.000 1.183 1154 T CA -0.349 61.737 62.100 -0.024 0.000 1.020 1154 T CB 1.321 70.176 68.868 -0.020 0.000 1.165 1154 T HN 0.159 nan 8.240 nan 0.000 0.482 1155 Q N 1.769 121.549 119.800 -0.032 0.000 2.282 1155 Q HA 0.208 4.535 4.340 -0.021 0.000 0.206 1155 Q C 0.251 176.227 176.000 -0.041 0.000 0.878 1155 Q CA 0.145 55.925 55.803 -0.038 0.000 0.944 1155 Q CB 0.429 29.151 28.738 -0.026 0.000 1.100 1155 Q HN 0.674 nan 8.270 nan 0.000 0.509 1156 Q N 1.113 120.893 119.800 -0.033 0.000 2.271 1156 Q HA -0.008 4.320 4.340 -0.021 0.000 0.273 1156 Q C 0.643 176.624 176.000 -0.032 0.000 1.051 1156 Q CA 0.162 55.947 55.803 -0.029 0.000 0.901 1156 Q CB 0.652 29.376 28.738 -0.022 0.000 1.174 1156 Q HN 0.255 nan 8.270 nan 0.000 0.385 1157 E N 2.376 122.554 120.200 -0.037 0.000 2.085 1157 E HA -0.245 4.093 4.350 -0.021 0.000 0.194 1157 E C 1.448 178.037 176.600 -0.019 0.000 0.994 1157 E CA 1.254 57.629 56.400 -0.042 0.000 0.801 1157 E CB 0.118 29.791 29.700 -0.044 0.000 0.743 1157 E HN 0.428 nan 8.360 nan 0.000 0.453 1158 R N 0.209 120.701 120.500 -0.012 0.000 2.237 1158 R HA -0.027 4.300 4.340 -0.021 0.000 0.219 1158 R C 2.157 178.460 176.300 0.006 0.000 1.080 1158 R CA 0.604 56.703 56.100 -0.002 0.000 0.995 1158 R CB -0.022 30.275 30.300 -0.004 0.000 0.875 1158 R HN 0.175 nan 8.270 nan 0.000 0.462 1159 L N -0.554 120.671 121.223 0.003 0.000 2.221 1159 L HA 0.062 4.389 4.340 -0.021 0.000 0.202 1159 L C 2.261 179.153 176.870 0.037 0.000 1.074 1159 L CA 0.553 55.401 54.840 0.013 0.000 0.795 1159 L CB -0.236 41.824 42.059 0.003 0.000 0.960 1159 L HN 0.058 nan 8.230 nan 0.000 0.458 1160 R N 0.322 120.837 120.500 0.025 0.000 2.139 1160 R HA -0.236 4.091 4.340 -0.021 0.000 0.243 1160 R C 2.148 178.513 176.300 0.109 0.000 1.145 1160 R CA 1.480 57.607 56.100 0.045 0.000 0.976 1160 R CB -0.340 29.946 30.300 -0.023 0.000 0.866 1160 R HN 0.499 nan 8.270 nan 0.000 0.449 1161 Q N -0.125 119.722 119.800 0.079 0.000 2.291 1161 Q HA -0.134 4.194 4.340 -0.021 0.000 0.206 1161 Q C 1.842 177.906 176.000 0.107 0.000 0.976 1161 Q CA 1.184 57.047 55.803 0.099 0.000 0.875 1161 Q CB 0.026 28.799 28.738 0.058 0.000 0.927 1161 Q HN 0.318 nan 8.270 nan 0.000 0.450 1162 R N -0.545 120.008 120.500 0.088 0.000 2.236 1162 R HA -0.016 4.312 4.340 -0.021 0.000 0.208 1162 R C 0.220 176.558 176.300 0.064 0.000 1.036 1162 R CA -0.077 56.054 56.100 0.052 0.000 1.001 1162 R CB -0.078 30.238 30.300 0.027 0.000 0.896 1162 R HN 0.093 nan 8.270 nan 0.000 0.464 1163 F N 3.941 123.894 119.950 0.005 0.000 2.519 1163 F HA -0.056 4.459 4.527 -0.021 0.000 0.381 1163 F C 0.281 176.067 175.800 -0.024 0.000 1.076 1163 F CA -0.003 58.002 58.000 0.008 0.000 1.095 1163 F CB 0.182 39.214 39.000 0.054 0.000 1.046 1163 F HN -0.148 nan 8.300 nan 0.000 0.559 1164 K N 4.991 125.068 120.400 -0.538 0.000 2.118 1164 K HA 0.891 5.199 4.320 -0.021 0.000 0.254 1164 K C -0.347 175.639 176.600 -1.022 0.000 0.961 1164 K CA -0.880 55.066 56.287 -0.569 0.000 0.876 1164 K CB 1.840 34.143 32.500 -0.329 0.000 1.077 1164 K HN 0.816 nan 8.250 nan 0.000 0.440 1165 G N 0.408 108.837 108.800 -0.617 0.000 2.026 1165 G HA2 0.249 4.197 3.960 -0.021 0.000 0.208 1165 G HA3 0.249 4.197 3.960 -0.021 0.000 0.208 1165 G C -1.197 173.711 174.900 0.013 0.000 1.640 1165 G CA -0.580 44.236 45.100 -0.473 0.000 0.946 1165 G HN 0.705 nan 8.290 nan 0.000 0.709 1166 V N 1.069 121.015 119.914 0.054 0.000 2.715 1166 V HA 0.885 4.992 4.120 -0.021 0.000 0.310 1166 V C -1.584 174.579 176.094 0.115 0.000 1.054 1166 V CA -2.339 60.031 62.300 0.117 0.000 0.928 1166 V CB 2.146 34.010 31.823 0.068 0.000 1.007 1166 V HN 0.347 nan 8.190 nan 0.000 0.437 1167 P HA -0.058 nan 4.420 nan 0.000 0.216 1167 P C 1.685 179.026 177.300 0.068 0.000 1.150 1167 P CA 2.189 65.349 63.100 0.101 0.000 0.843 1167 P CB -0.014 31.735 31.700 0.083 0.000 0.787 1168 G N -0.324 108.507 108.800 0.051 0.000 2.475 1168 G HA2 -0.309 3.639 3.960 -0.021 0.000 0.220 1168 G HA3 -0.309 3.639 3.960 -0.021 0.000 0.220 1168 G C 1.542 176.454 174.900 0.020 0.000 1.125 1168 G CA 0.704 45.824 45.100 0.034 0.000 0.755 1168 G HN 0.318 nan 8.290 nan 0.000 0.565 1169 Q N -0.581 119.229 119.800 0.017 0.000 2.050 1169 Q HA -0.069 4.258 4.340 -0.021 0.000 0.202 1169 Q C 2.833 178.840 176.000 0.012 0.000 0.980 1169 Q CA 1.692 57.491 55.803 -0.007 0.000 0.840 1169 Q CB -0.285 28.441 28.738 -0.020 0.000 0.898 1169 Q HN 0.462 nan 8.270 nan 0.000 0.424 1170 V N -1.179 118.761 119.914 0.043 0.000 2.591 1170 V HA -0.107 4.000 4.120 -0.021 0.000 0.249 1170 V C 1.941 178.102 176.094 0.113 0.000 1.053 1170 V CA 0.960 63.300 62.300 0.067 0.000 1.068 1170 V CB -0.135 31.745 31.823 0.095 0.000 0.689 1170 V HN 0.164 nan 8.190 nan 0.000 0.462 1171 V N 2.010 121.946 119.914 0.037 0.000 2.252 1171 V HA -0.272 3.835 4.120 -0.021 0.000 0.249 1171 V C 2.611 178.526 176.094 -0.298 0.000 1.056 1171 V CA 2.794 65.013 62.300 -0.135 0.000 1.022 1171 V CB -1.125 30.618 31.823 -0.133 0.000 0.641 1171 V HN 0.642 nan 8.190 nan 0.000 0.445 1172 N N -0.349 118.249 118.700 -0.171 0.000 2.120 1172 N HA -0.179 4.548 4.740 -0.021 0.000 0.188 1172 N C 1.667 176.921 175.510 -0.426 0.000 1.024 1172 N CA 1.659 54.538 53.050 -0.286 0.000 0.852 1172 N CB -0.610 37.728 38.487 -0.249 0.000 1.003 1172 N HN 0.543 nan 8.380 nan 0.000 0.424 1173 F N 1.153 120.909 119.950 -0.323 0.000 2.065 1173 F HA -0.166 4.349 4.527 -0.021 0.000 0.298 1173 F C 1.960 177.598 175.800 -0.270 0.000 1.112 1173 F CA 1.448 59.297 58.000 -0.252 0.000 1.212 1173 F CB -0.729 38.025 39.000 -0.410 0.000 0.975 1173 F HN -0.080 nan 8.300 nan 0.000 0.476 1174 F N -0.987 118.813 119.950 -0.250 0.000 2.269 1174 F HA -0.209 4.306 4.527 -0.021 0.000 0.301 1174 F C 2.260 178.022 175.800 -0.064 0.000 1.082 1174 F CA 1.303 59.145 58.000 -0.263 0.000 1.360 1174 F CB -0.877 38.106 39.000 -0.028 0.000 1.041 1174 F HN 0.054 nan 8.300 nan 0.000 0.512 1175 Y N -1.379 118.911 120.300 -0.017 0.000 2.181 1175 Y HA -0.262 4.276 4.550 -0.021 0.000 0.288 1175 Y C 2.343 178.171 175.900 -0.118 0.000 1.146 1175 Y CA 0.682 58.724 58.100 -0.096 0.000 1.164 1175 Y CB -0.614 37.724 38.460 -0.205 0.000 0.982 1175 Y HN -0.003 nan 8.280 nan 0.000 0.515 1176 F N -0.428 119.471 119.950 -0.085 0.000 2.095 1176 F HA -0.331 4.183 4.527 -0.021 0.000 0.298 1176 F C 2.099 177.803 175.800 -0.160 0.000 1.104 1176 F CA 0.473 58.318 58.000 -0.259 0.000 1.232 1176 F CB -0.266 38.426 39.000 -0.514 0.000 0.987 1176 F HN 0.056 nan 8.300 nan 0.000 0.475 1177 I N 0.517 121.073 120.570 -0.024 0.000 2.179 1177 I HA -0.245 3.912 4.170 -0.021 0.000 0.242 1177 I C 2.706 178.948 176.117 0.208 0.000 1.088 1177 I CA 1.357 62.661 61.300 0.005 0.000 1.357 1177 I CB -1.980 35.848 38.000 -0.286 0.000 1.051 1177 I HN 0.030 nan 8.210 nan 0.000 0.409 1178 A N 0.039 123.053 122.820 0.323 0.000 1.933 1178 A HA -0.174 4.133 4.320 -0.021 0.000 0.218 1178 A C 2.237 179.922 177.584 0.169 0.000 1.175 1178 A CA 1.332 53.556 52.037 0.311 0.000 0.628 1178 A CB -0.450 18.720 19.000 0.284 0.000 0.814 1178 A HN 0.359 nan 8.150 nan 0.000 0.444 1179 E N -0.426 119.855 120.200 0.134 0.000 2.106 1179 E HA -0.197 4.140 4.350 -0.021 0.000 0.192 1179 E C 1.962 178.622 176.600 0.100 0.000 0.984 1179 E CA 1.331 57.783 56.400 0.086 0.000 0.806 1179 E CB -0.197 29.541 29.700 0.065 0.000 0.750 1179 E HN 0.860 nan 8.360 nan 0.000 0.458 1180 E N 0.410 120.689 120.200 0.131 0.000 2.072 1180 E HA -0.131 4.206 4.350 -0.021 0.000 0.191 1180 E C 2.132 178.819 176.600 0.145 0.000 0.985 1180 E CA 0.983 57.471 56.400 0.147 0.000 0.801 1180 E CB 0.176 29.989 29.700 0.188 0.000 0.750 1180 E HN -0.028 nan 8.360 nan 0.000 0.452 1181 V N 1.332 121.338 119.914 0.153 0.000 2.324 1181 V HA -0.301 3.807 4.120 -0.021 0.000 0.250 1181 V C 2.462 178.608 176.094 0.086 0.000 1.060 1181 V CA 2.220 64.594 62.300 0.124 0.000 1.042 1181 V CB -0.563 31.349 31.823 0.148 0.000 0.650 1181 V HN 0.293 nan 8.190 nan 0.000 0.450 1182 R N 0.553 121.101 120.500 0.081 0.000 2.081 1182 R HA -0.155 4.172 4.340 -0.021 0.000 0.235 1182 R C 2.650 178.985 176.300 0.059 0.000 1.131 1182 R CA 1.772 57.905 56.100 0.056 0.000 0.960 1182 R CB -0.607 29.716 30.300 0.039 0.000 0.856 1182 R HN 0.712 nan 8.270 nan 0.000 0.436 1183 S N 0.930 116.673 115.700 0.071 0.000 2.382 1183 S HA -0.101 4.357 4.470 -0.021 0.000 0.228 1183 S C 2.069 176.726 174.600 0.093 0.000 1.027 1183 S CA 0.896 59.142 58.200 0.077 0.000 0.991 1183 S CB -0.372 62.875 63.200 0.079 0.000 0.823 1183 S HN 0.222 nan 8.310 nan 0.000 0.469 1184 L N 0.556 121.831 121.223 0.086 0.000 2.072 1184 L HA 0.044 4.371 4.340 -0.021 0.000 0.205 1184 L C 2.685 179.575 176.870 0.034 0.000 1.079 1184 L CA 0.995 55.869 54.840 0.056 0.000 0.752 1184 L CB -0.572 41.501 42.059 0.023 0.000 0.906 1184 L HN 0.306 nan 8.230 nan 0.000 0.436 1185 L N -0.353 120.891 121.223 0.035 0.000 2.042 1185 L HA -0.228 4.099 4.340 -0.021 0.000 0.210 1185 L C 2.875 179.782 176.870 0.061 0.000 1.076 1185 L CA 1.273 56.144 54.840 0.052 0.000 0.749 1185 L CB -0.736 41.356 42.059 0.055 0.000 0.893 1185 L HN 0.254 nan 8.230 nan 0.000 0.432 1186 A N -0.969 121.887 122.820 0.059 0.000 1.902 1186 A HA -0.285 4.023 4.320 -0.021 0.000 0.217 1186 A C 2.303 179.918 177.584 0.052 0.000 1.181 1186 A CA 1.780 53.844 52.037 0.045 0.000 0.623 1186 A CB -0.974 18.056 19.000 0.049 0.000 0.818 1186 A HN 0.561 nan 8.150 nan 0.000 0.443 1187 H N -0.109 118.961 119.070 0.001 0.000 2.353 1187 H HA -0.024 4.520 4.556 -0.021 0.000 0.300 1187 H C 1.693 177.018 175.328 -0.005 0.000 1.090 1187 H CA 1.757 57.809 56.048 0.006 0.000 1.327 1187 H CB -0.118 29.658 29.762 0.023 0.000 1.383 1187 H HN 0.423 nan 8.280 nan 0.000 0.508 1188 L N -0.267 120.894 121.223 -0.104 0.000 2.478 1188 L HA 0.043 4.371 4.340 -0.021 0.000 0.223 1188 L C 1.803 178.601 176.870 -0.120 0.000 1.140 1188 L CA 0.737 55.513 54.840 -0.106 0.000 0.842 1188 L CB 0.117 42.209 42.059 0.056 0.000 0.953 1188 L HN 0.604 nan 8.230 nan 0.000 0.452 1189 G N -1.273 107.438 108.800 -0.149 0.000 2.141 1189 G HA2 -0.302 3.646 3.960 -0.021 0.000 0.242 1189 G HA3 -0.302 3.646 3.960 -0.021 0.000 0.242 1189 G C -0.122 174.541 174.900 -0.394 0.000 0.982 1189 G CA -0.331 44.605 45.100 -0.274 0.000 0.662 1189 G HN 0.279 nan 8.290 nan 0.000 0.527 1190 Y N -1.102 119.172 120.300 -0.044 0.000 2.446 1190 Y HA 0.661 5.198 4.550 -0.021 0.000 0.338 1190 Y C 1.596 177.480 175.900 -0.027 0.000 1.055 1190 Y CA -1.000 57.080 58.100 -0.033 0.000 1.101 1190 Y CB 1.290 39.731 38.460 -0.032 0.000 1.221 1190 Y HN -0.047 nan 8.280 nan 0.000 0.460 1191 R N 0.375 120.959 120.500 0.140 0.000 2.153 1191 R HA 0.059 4.387 4.340 -0.021 0.000 0.218 1191 R C 0.024 176.358 176.300 0.056 0.000 1.072 1191 R CA 0.745 56.884 56.100 0.065 0.000 0.990 1191 R CB 0.295 30.617 30.300 0.038 0.000 0.889 1191 R HN 0.484 nan 8.270 nan 0.000 0.452 1192 S N -1.478 114.263 115.700 0.069 0.000 2.550 1192 S HA 0.162 4.619 4.470 -0.021 0.000 0.270 1192 S C 0.221 174.829 174.600 0.015 0.000 1.145 1192 S CA -0.814 57.404 58.200 0.029 0.000 0.852 1192 S CB 1.262 64.468 63.200 0.009 0.000 1.119 1192 S HN -0.046 nan 8.310 nan 0.000 0.465 1193 L N 2.769 124.000 121.223 0.013 0.000 2.079 1193 L HA 0.035 4.363 4.340 -0.021 0.000 0.210 1193 L C 2.072 178.937 176.870 -0.007 0.000 1.081 1193 L CA 2.343 57.194 54.840 0.018 0.000 0.752 1193 L CB -1.306 40.795 42.059 0.070 0.000 0.896 1193 L HN 1.006 nan 8.230 nan 0.000 0.433 1194 D N -0.897 119.489 120.400 -0.024 0.000 2.228 1194 D HA -0.215 4.413 4.640 -0.021 0.000 0.203 1194 D C 1.558 177.791 176.300 -0.112 0.000 0.988 1194 D CA 1.181 55.138 54.000 -0.071 0.000 0.864 1194 D CB 0.131 40.884 40.800 -0.079 0.000 0.928 1194 D HN 0.339 nan 8.370 nan 0.000 0.469 1195 D N -0.673 119.666 120.400 -0.102 0.000 2.277 1195 D HA -0.029 4.599 4.640 -0.021 0.000 0.208 1195 D C 1.978 178.079 176.300 -0.331 0.000 0.962 1195 D CA 0.682 54.581 54.000 -0.169 0.000 0.865 1195 D CB 0.087 40.845 40.800 -0.070 0.000 0.939 1195 D HN 0.587 nan 8.370 nan 0.000 0.510 1196 I N -2.524 117.891 120.570 -0.260 0.000 4.181 1196 I HA 0.212 4.369 4.170 -0.021 0.000 0.331 1196 I C 0.481 176.550 176.117 -0.079 0.000 1.312 1196 I CA -0.288 60.851 61.300 -0.268 0.000 1.146 1196 I CB 0.235 38.081 38.000 -0.257 0.000 1.074 1196 I HN -0.318 nan 8.210 nan 0.000 0.402 1197 I N 3.863 124.428 120.570 -0.007 0.000 2.741 1197 I HA 0.114 4.272 4.170 -0.021 0.000 0.288 1197 I C 1.579 177.825 176.117 0.215 0.000 1.192 1197 I CA 1.498 62.862 61.300 0.106 0.000 1.426 1197 I CB 0.114 38.201 38.000 0.145 0.000 1.367 1197 I HN 0.576 nan 8.210 nan 0.000 0.563 1198 G N 4.974 113.830 108.800 0.094 0.000 2.179 1198 G HA2 -0.274 3.674 3.960 -0.021 0.000 0.260 1198 G HA3 -0.274 3.674 3.960 -0.021 0.000 0.260 1198 G C 0.619 175.578 174.900 0.099 0.000 0.977 1198 G CA -0.444 44.666 45.100 0.016 0.000 0.641 1198 G HN 0.564 nan 8.290 nan 0.000 0.533 1199 R N 1.001 121.547 120.500 0.077 0.000 4.164 1199 R HA 0.256 4.583 4.340 -0.021 0.000 0.195 1199 R C 1.438 177.780 176.300 0.070 0.000 1.712 1199 R CA 0.582 56.718 56.100 0.060 0.000 1.457 1199 R CB -0.481 29.806 30.300 -0.022 0.000 1.387 1199 R HN 0.269 nan 8.270 nan 0.000 0.785 1200 T N 1.023 115.625 114.554 0.080 0.000 3.007 1200 T HA -0.105 4.232 4.350 -0.021 0.000 0.270 1200 T C 1.300 176.052 174.700 0.086 0.000 1.107 1200 T CA 1.392 63.541 62.100 0.081 0.000 1.118 1200 T CB -0.015 68.899 68.868 0.076 0.000 0.889 1200 T HN 0.551 nan 8.240 nan 0.000 0.506 1201 D N 0.794 121.245 120.400 0.086 0.000 2.350 1201 D HA -0.073 4.554 4.640 -0.021 0.000 0.216 1201 D C 1.592 177.954 176.300 0.104 0.000 0.968 1201 D CA 0.516 54.568 54.000 0.086 0.000 0.894 1201 D CB -0.298 40.552 40.800 0.083 0.000 0.909 1201 D HN 0.439 nan 8.370 nan 0.000 0.520 1202 L N 0.009 121.304 121.223 0.121 0.000 2.612 1202 L HA 0.227 4.554 4.340 -0.021 0.000 0.230 1202 L C 0.754 177.754 176.870 0.216 0.000 1.140 1202 L CA -0.061 54.878 54.840 0.166 0.000 0.896 1202 L CB -0.119 42.038 42.059 0.164 0.000 1.065 1202 L HN -0.093 nan 8.230 nan 0.000 0.447 1203 L N 0.764 122.083 121.223 0.159 0.000 2.344 1203 L HA 0.466 4.794 4.340 -0.021 0.000 0.272 1203 L C -0.098 176.827 176.870 0.091 0.000 1.035 1203 L CA -0.417 54.502 54.840 0.132 0.000 0.807 1203 L CB 1.609 43.722 42.059 0.089 0.000 1.237 1203 L HN 0.091 nan 8.230 nan 0.000 0.442 1204 K N 0.268 120.707 120.400 0.065 0.000 2.522 1204 K HA 0.643 4.951 4.320 -0.021 0.000 0.275 1204 K C -1.516 175.098 176.600 0.023 0.000 1.006 1204 K CA -0.984 55.331 56.287 0.047 0.000 0.890 1204 K CB 1.818 34.354 32.500 0.059 0.000 1.475 1204 K HN 0.156 nan 8.250 nan 0.000 0.441 1205 V N 2.222 122.148 119.914 0.019 0.000 2.488 1205 V HA 0.203 4.311 4.120 -0.021 0.000 0.277 1205 V C 0.352 176.452 176.094 0.009 0.000 1.046 1205 V CA -0.491 61.815 62.300 0.010 0.000 0.986 1205 V CB 0.614 32.440 31.823 0.006 0.000 0.989 1205 V HN 0.605 nan 8.190 nan 0.000 0.475 1206 R N 2.827 123.329 120.500 0.004 0.000 2.570 1206 R HA 0.058 4.385 4.340 -0.021 0.000 0.277 1206 R C 1.287 177.587 176.300 0.001 0.000 1.039 1206 R CA 0.567 56.668 56.100 0.001 0.000 1.065 1206 R CB 0.442 30.738 30.300 -0.007 0.000 0.964 1206 R HN 0.925 nan 8.270 nan 0.000 0.428 1207 S N 0.246 115.948 115.700 0.003 0.000 2.535 1207 S HA -0.044 4.413 4.470 -0.021 0.000 0.214 1207 S C 0.700 175.299 174.600 -0.002 0.000 0.980 1207 S CA 0.143 58.344 58.200 0.003 0.000 0.907 1207 S CB 0.246 63.451 63.200 0.008 0.000 0.790 1207 S HN 0.735 nan 8.310 nan 0.000 0.510 1208 D N 1.135 121.531 120.400 -0.007 0.000 2.368 1208 D HA 0.137 4.764 4.640 -0.021 0.000 0.218 1208 D C -0.096 176.197 176.300 -0.011 0.000 1.112 1208 D CA -0.237 53.757 54.000 -0.010 0.000 0.834 1208 D CB 0.062 40.853 40.800 -0.016 0.000 0.953 1208 D HN 0.278 nan 8.370 nan 0.000 0.505 1209 V N 1.032 120.940 119.914 -0.009 0.000 2.347 1209 V HA 0.279 4.387 4.120 -0.021 0.000 0.280 1209 V C -0.379 175.713 176.094 -0.004 0.000 1.021 1209 V CA -0.629 61.666 62.300 -0.007 0.000 0.847 1209 V CB 1.295 33.111 31.823 -0.012 0.000 0.990 1209 V HN -0.043 nan 8.190 nan 0.000 0.444 1210 Q N 4.070 123.874 119.800 0.006 0.000 2.333 1210 Q HA 0.577 4.905 4.340 -0.021 0.000 0.265 1210 Q C -0.837 175.161 176.000 -0.003 0.000 0.989 1210 Q CA -0.185 55.620 55.803 0.003 0.000 0.842 1210 Q CB 1.609 30.354 28.738 0.011 0.000 1.262 1210 Q HN 0.697 nan 8.270 nan 0.000 0.451 1211 L N 1.502 122.705 121.223 -0.033 0.000 2.417 1211 L HA 0.262 4.590 4.340 -0.021 0.000 0.268 1211 L C 1.250 178.072 176.870 -0.080 0.000 1.158 1211 L CA -0.209 54.582 54.840 -0.082 0.000 0.819 1211 L CB 0.967 42.980 42.059 -0.077 0.000 1.112 1211 L HN 0.712 nan 8.230 nan 0.000 0.458 1212 S N 0.616 116.220 115.700 -0.160 0.000 2.368 1212 S HA -0.086 4.371 4.470 -0.021 0.000 0.224 1212 S C 1.622 176.188 174.600 -0.057 0.000 1.029 1212 S CA 1.405 59.548 58.200 -0.095 0.000 0.988 1212 S CB 0.082 63.180 63.200 -0.171 0.000 0.838 1212 S HN 0.556 nan 8.310 nan 0.000 0.462 1213 K N -0.106 120.255 120.400 -0.065 0.000 2.348 1213 K HA 0.131 4.438 4.320 -0.021 0.000 0.194 1213 K C 0.176 176.755 176.600 -0.035 0.000 1.052 1213 K CA 0.570 56.837 56.287 -0.033 0.000 1.004 1213 K CB 0.802 33.303 32.500 0.002 0.000 0.873 1213 K HN 0.371 nan 8.250 nan 0.000 0.523 1214 T N -2.239 112.292 114.554 -0.039 0.000 2.812 1214 T HA 0.177 4.514 4.350 -0.021 0.000 0.294 1214 T C 0.457 175.135 174.700 -0.036 0.000 1.159 1214 T CA -0.837 61.239 62.100 -0.040 0.000 1.008 1214 T CB 1.797 70.640 68.868 -0.041 0.000 1.289 1214 T HN -0.221 nan 8.240 nan 0.000 0.514 1215 Q N 0.833 120.612 119.800 -0.034 0.000 2.016 1215 Q HA 0.078 4.405 4.340 -0.021 0.000 0.200 1215 Q C 0.601 176.585 176.000 -0.026 0.000 0.978 1215 Q CA 1.560 57.346 55.803 -0.027 0.000 0.833 1215 Q CB 0.092 28.814 28.738 -0.026 0.000 0.895 1215 Q HN 0.792 nan 8.270 nan 0.000 0.427 1216 N N -2.331 116.352 118.700 -0.028 0.000 2.961 1216 N HA 0.241 4.968 4.740 -0.021 0.000 0.245 1216 N C -1.585 173.908 175.510 -0.028 0.000 1.404 1216 N CA -0.698 52.337 53.050 -0.025 0.000 0.880 1216 N CB 0.610 39.086 38.487 -0.020 0.000 1.461 1216 N HN -0.061 nan 8.380 nan 0.000 0.510 1217 L N 0.496 121.704 121.223 -0.026 0.000 2.387 1217 L HA 0.491 4.819 4.340 -0.021 0.000 0.266 1217 L C 0.349 177.204 176.870 -0.024 0.000 1.059 1217 L CA -0.060 54.763 54.840 -0.028 0.000 0.801 1217 L CB 1.358 43.398 42.059 -0.030 0.000 1.223 1217 L HN 0.650 nan 8.230 nan 0.000 0.456 1218 T N 3.077 117.616 114.554 -0.025 0.000 2.743 1218 T HA 0.447 4.784 4.350 -0.021 0.000 0.292 1218 T C 0.802 175.491 174.700 -0.019 0.000 0.972 1218 T CA -0.144 61.944 62.100 -0.020 0.000 0.967 1218 T CB 0.301 69.157 68.868 -0.020 0.000 0.926 1218 T HN 0.349 nan 8.240 nan 0.000 0.459 1219 L N 2.170 123.385 121.223 -0.014 0.000 3.014 1219 L HA 0.219 4.547 4.340 -0.021 0.000 0.263 1219 L C 1.265 178.132 176.870 -0.005 0.000 1.207 1219 L CA -0.211 54.621 54.840 -0.013 0.000 1.017 1219 L CB 0.196 42.247 42.059 -0.014 0.000 1.360 1219 L HN 0.489 nan 8.230 nan 0.000 0.560 1220 D N 0.950 121.348 120.400 -0.002 0.000 2.172 1220 D HA -0.228 4.400 4.640 -0.021 0.000 0.196 1220 D C 2.161 178.465 176.300 0.005 0.000 0.999 1220 D CA 1.831 55.833 54.000 0.003 0.000 0.856 1220 D CB -0.120 40.681 40.800 0.001 0.000 0.934 1220 D HN 0.591 nan 8.370 nan 0.000 0.453 1221 C N -0.126 119.174 119.300 -0.000 0.000 2.410 1221 C HA -0.019 4.428 4.460 -0.021 0.000 0.281 1221 C C 2.669 177.666 174.990 0.011 0.000 1.318 1221 C CA 0.035 59.054 59.018 0.003 0.000 1.776 1221 C CB -1.455 26.282 27.740 -0.005 0.000 1.942 1221 C HN 0.248 nan 8.230 nan 0.000 0.508 1222 L N -0.266 120.961 121.223 0.006 0.000 2.298 1222 L HA 0.191 4.519 4.340 -0.021 0.000 0.209 1222 L C 2.591 179.478 176.870 0.028 0.000 1.084 1222 L CA 0.789 55.637 54.840 0.013 0.000 0.816 1222 L CB -0.317 41.737 42.059 -0.009 0.000 0.967 1222 L HN 0.326 nan 8.230 nan 0.000 0.460 1223 L N -0.822 120.416 121.223 0.025 0.000 2.354 1223 L HA 0.077 4.404 4.340 -0.021 0.000 0.212 1223 L C 0.315 177.208 176.870 0.038 0.000 1.091 1223 L CA 0.159 55.020 54.840 0.035 0.000 0.828 1223 L CB -0.122 41.954 42.059 0.030 0.000 0.973 1223 L HN 0.168 nan 8.230 nan 0.000 0.461 1224 N N 1.649 120.367 118.700 0.030 0.000 3.124 1224 N HA 0.331 5.059 4.740 -0.021 0.000 0.284 1224 N C -0.711 174.816 175.510 0.029 0.000 1.209 1224 N CA 0.330 53.396 53.050 0.027 0.000 1.149 1224 N CB 0.159 38.656 38.487 0.017 0.000 1.434 1224 N HN 0.157 nan 8.380 nan 0.000 0.529 1225 L N 0.738 121.988 121.223 0.044 0.000 2.322 1225 L HA 0.601 4.929 4.340 -0.021 0.000 0.269 1225 L C -1.808 175.082 176.870 0.034 0.000 1.012 1225 L CA -2.124 52.747 54.840 0.052 0.000 0.815 1225 L CB 1.141 43.267 42.059 0.112 0.000 1.295 1225 L HN 0.057 nan 8.230 nan 0.000 0.438 1226 P HA -0.014 nan 4.420 nan 0.000 0.266 1226 P C -0.781 176.539 177.300 0.034 0.000 1.195 1226 P CA -0.131 62.956 63.100 -0.022 0.000 0.768 1226 P CB 0.356 31.986 31.700 -0.115 0.000 0.838 1227 D N 0.993 121.421 120.400 0.047 0.000 2.414 1227 D HA 0.051 4.679 4.640 -0.021 0.000 0.242 1227 D C 0.241 176.617 176.300 0.128 0.000 1.129 1227 D CA 0.748 54.797 54.000 0.082 0.000 0.885 1227 D CB 0.624 41.466 40.800 0.070 0.000 1.198 1227 D HN 0.184 nan 8.370 nan 0.000 0.437 1228 T N 2.645 117.300 114.554 0.169 0.000 3.253 1228 T HA 0.089 4.426 4.350 -0.021 0.000 0.299 1228 T C 1.405 176.222 174.700 0.195 0.000 0.927 1228 T CA -0.278 61.988 62.100 0.276 0.000 0.926 1228 T CB 0.261 69.358 68.868 0.382 0.000 1.183 1228 T HN 0.318 nan 8.240 nan 0.000 0.557 1229 K N 0.750 121.229 120.400 0.132 0.000 2.057 1229 K HA -0.079 4.229 4.320 -0.021 0.000 0.207 1229 K C 1.958 178.609 176.600 0.086 0.000 1.049 1229 K CA 1.606 57.952 56.287 0.099 0.000 0.931 1229 K CB 0.130 32.684 32.500 0.091 0.000 0.714 1229 K HN 0.289 nan 8.250 nan 0.000 0.440 1230 Q N -0.309 119.545 119.800 0.089 0.000 2.462 1230 Q HA 0.029 4.356 4.340 -0.021 0.000 0.224 1230 Q C 0.158 176.203 176.000 0.076 0.000 0.911 1230 Q CA -0.074 55.770 55.803 0.068 0.000 0.925 1230 Q CB 0.382 29.156 28.738 0.059 0.000 1.063 1230 Q HN 0.079 nan 8.270 nan 0.000 0.572 1231 N N 1.444 120.222 118.700 0.129 0.000 2.421 1231 N HA 0.011 4.738 4.740 -0.021 0.000 0.260 1231 N C -0.269 175.393 175.510 0.253 0.000 1.173 1231 N CA 0.331 53.491 53.050 0.184 0.000 0.960 1231 N CB 0.306 38.924 38.487 0.219 0.000 1.273 1231 N HN 0.087 nan 8.380 nan 0.000 0.497 1232 R N 2.329 122.822 120.500 -0.012 0.000 2.549 1232 R HA 0.111 4.438 4.340 -0.021 0.000 0.361 1232 R C 0.637 176.555 176.300 -0.638 0.000 0.969 1232 R CA -0.046 55.795 56.100 -0.432 0.000 1.158 1232 R CB 0.439 30.546 30.300 -0.321 0.000 1.456 1232 R HN 0.604 nan 8.270 nan 0.000 0.540 1233 Q N 0.541 120.177 119.800 -0.272 0.000 2.364 1233 Q HA -0.090 4.237 4.340 -0.021 0.000 0.207 1233 Q C 1.391 177.297 176.000 -0.157 0.000 0.970 1233 Q CA 1.073 56.767 55.803 -0.182 0.000 0.888 1233 Q CB 0.014 28.729 28.738 -0.039 0.000 0.951 1233 Q HN 0.495 nan 8.270 nan 0.000 0.469 1234 W N -0.701 120.593 121.300 -0.010 0.000 2.538 1234 W HA -0.077 4.571 4.660 -0.021 0.000 0.254 1234 W C 0.707 177.186 176.519 -0.067 0.000 1.249 1234 W CA 0.024 57.378 57.345 0.014 0.000 1.253 1234 W CB -0.351 29.149 29.460 0.068 0.000 1.130 1234 W HN 0.112 nan 8.180 nan 0.000 0.618 1235 L N 1.736 122.612 121.223 -0.578 0.000 2.418 1235 L HA 0.089 4.417 4.340 -0.021 0.000 0.218 1235 L C 0.267 176.712 176.870 -0.708 0.000 1.125 1235 L CA 0.748 55.218 54.840 -0.617 0.000 0.835 1235 L CB -1.384 40.269 42.059 -0.676 0.000 0.953 1235 L HN -0.113 nan 8.230 nan 0.000 0.454 1236 N N 0.572 118.966 118.700 -0.509 0.000 2.420 1236 N HA 0.147 4.874 4.740 -0.021 0.000 0.249 1236 N C -0.391 174.922 175.510 -0.329 0.000 1.033 1236 N CA -0.093 52.735 53.050 -0.370 0.000 0.944 1236 N CB 0.675 39.050 38.487 -0.187 0.000 1.113 1236 N HN 0.137 nan 8.380 nan 0.000 0.502 1237 H N -0.028 119.045 119.070 0.005 0.000 2.499 1237 H HA 0.163 4.707 4.556 -0.021 0.000 0.340 1237 H C 0.136 175.460 175.328 -0.007 0.000 1.148 1237 H CA -0.523 55.538 56.048 0.022 0.000 1.215 1237 H CB 1.588 31.356 29.762 0.010 0.000 1.529 1237 H HN 0.506 nan 8.280 nan 0.000 0.510 1238 E N 3.079 123.359 120.200 0.134 0.000 2.442 1238 E HA -0.010 4.328 4.350 -0.021 0.000 0.262 1238 E C -1.378 175.192 176.600 -0.049 0.000 1.004 1238 E CA -1.236 55.186 56.400 0.038 0.000 0.928 1238 E CB 0.696 30.446 29.700 0.083 0.000 0.937 1238 E HN 0.307 nan 8.360 nan 0.000 0.446 1239 P HA -0.133 nan 4.420 nan 0.000 0.215 1239 P C -0.665 176.552 177.300 -0.139 0.000 1.157 1239 P CA 0.920 63.974 63.100 -0.076 0.000 0.874 1239 P CB 0.234 31.898 31.700 -0.060 0.000 0.790 1240 V N -1.859 117.945 119.914 -0.183 0.000 2.924 1240 V HA 0.174 4.281 4.120 -0.021 0.000 0.300 1240 V C -0.568 175.348 176.094 -0.295 0.000 1.227 1240 V CA -1.027 61.121 62.300 -0.253 0.000 0.954 1240 V CB 1.616 33.345 31.823 -0.158 0.000 1.055 1240 V HN 0.067 nan 8.190 nan 0.000 0.429 1241 H N 1.450 120.414 119.070 -0.177 0.000 2.732 1241 H HA 0.400 4.944 4.556 -0.021 0.000 0.351 1241 H C 0.416 175.460 175.328 -0.474 0.000 1.090 1241 H CA 0.228 56.134 56.048 -0.236 0.000 1.431 1241 H CB 1.470 31.168 29.762 -0.107 0.000 1.447 1241 H HN 0.675 nan 8.280 nan 0.000 0.582 1242 S N 1.051 116.663 115.700 -0.147 0.000 2.616 1242 S HA 0.077 4.535 4.470 -0.021 0.000 0.277 1242 S C 1.119 175.630 174.600 -0.148 0.000 1.234 1242 S CA -0.811 57.275 58.200 -0.190 0.000 1.028 1242 S CB 0.577 63.721 63.200 -0.094 0.000 0.988 1242 S HN 0.521 nan 8.310 nan 0.000 0.522 1243 N N 2.077 120.670 118.700 -0.178 0.000 2.515 1243 N HA 0.179 4.906 4.740 -0.021 0.000 0.185 1243 N C 1.007 176.504 175.510 -0.021 0.000 1.109 1243 N CA 0.917 53.871 53.050 -0.160 0.000 0.903 1243 N CB -0.610 37.577 38.487 -0.499 0.000 0.969 1243 N HN 0.931 nan 8.380 nan 0.000 0.450 1244 G N 0.745 109.527 108.800 -0.030 0.000 2.782 1244 G HA2 -0.223 3.724 3.960 -0.021 0.000 0.228 1244 G HA3 -0.223 3.724 3.960 -0.021 0.000 0.228 1244 G C -2.592 172.308 174.900 0.001 0.000 1.372 1244 G CA -0.943 44.159 45.100 0.003 0.000 0.862 1244 G HN 0.116 nan 8.290 nan 0.000 0.547 1245 P HA 0.478 nan 4.420 nan 0.000 0.265 1245 P C -0.335 176.984 177.300 0.032 0.000 1.193 1245 P CA -0.232 62.877 63.100 0.016 0.000 0.765 1245 P CB 1.316 33.029 31.700 0.022 0.000 0.823 1246 V N 3.831 123.756 119.914 0.018 0.000 2.971 1246 V HA 0.100 4.208 4.120 -0.021 0.000 0.309 1246 V C 1.036 177.136 176.094 0.010 0.000 1.130 1246 V CA -0.663 61.656 62.300 0.032 0.000 0.964 1246 V CB 2.165 33.993 31.823 0.008 0.000 1.029 1246 V HN 0.427 nan 8.190 nan 0.000 0.427 1247 L N 3.307 124.536 121.223 0.010 0.000 2.043 1247 L HA -0.136 4.192 4.340 -0.021 0.000 0.212 1247 L C 1.703 178.531 176.870 -0.071 0.000 1.075 1247 L CA 2.465 57.287 54.840 -0.031 0.000 0.752 1247 L CB -0.557 41.487 42.059 -0.025 0.000 0.891 1247 L HN 0.884 nan 8.230 nan 0.000 0.432 1248 D N -0.228 120.146 120.400 -0.043 0.000 2.228 1248 D HA -0.193 4.435 4.640 -0.021 0.000 0.203 1248 D C 1.744 178.023 176.300 -0.035 0.000 0.988 1248 D CA 1.341 55.317 54.000 -0.039 0.000 0.864 1248 D CB -0.186 40.601 40.800 -0.021 0.000 0.928 1248 D HN 0.476 nan 8.370 nan 0.000 0.469 1249 D N 0.347 120.730 120.400 -0.028 0.000 2.144 1249 D HA -0.117 4.510 4.640 -0.021 0.000 0.199 1249 D C 1.465 177.760 176.300 -0.010 0.000 0.984 1249 D CA 0.847 54.836 54.000 -0.018 0.000 0.834 1249 D CB -0.187 40.604 40.800 -0.014 0.000 0.955 1249 D HN 0.300 nan 8.370 nan 0.000 0.465 1250 D N 0.393 120.782 120.400 -0.018 0.000 2.149 1250 D HA -0.047 4.581 4.640 -0.021 0.000 0.201 1250 D C 2.387 178.693 176.300 0.010 0.000 0.972 1250 D CA 0.288 54.289 54.000 0.002 0.000 0.835 1250 D CB -0.037 40.765 40.800 0.003 0.000 0.966 1250 D HN 0.283 nan 8.370 nan 0.000 0.476 1251 I N 0.856 121.391 120.570 -0.058 0.000 2.142 1251 I HA -0.238 3.920 4.170 -0.021 0.000 0.240 1251 I C 2.459 178.607 176.117 0.051 0.000 1.078 1251 I CA 0.848 62.145 61.300 -0.005 0.000 1.343 1251 I CB -0.219 37.740 38.000 -0.068 0.000 1.046 1251 I HN -0.064 nan 8.210 nan 0.000 0.405 1252 L N 0.466 121.703 121.223 0.023 0.000 2.275 1252 L HA -0.135 4.192 4.340 -0.021 0.000 0.215 1252 L C 2.613 179.504 176.870 0.034 0.000 1.119 1252 L CA 0.835 55.691 54.840 0.026 0.000 0.790 1252 L CB -0.490 41.572 42.059 0.004 0.000 0.919 1252 L HN 0.245 nan 8.230 nan 0.000 0.443 1253 A N -1.529 121.312 122.820 0.036 0.000 2.119 1253 A HA -0.115 4.193 4.320 -0.021 0.000 0.216 1253 A C 0.987 178.604 177.584 0.055 0.000 1.152 1253 A CA 0.209 52.269 52.037 0.039 0.000 0.708 1253 A CB -0.297 18.724 19.000 0.034 0.000 0.805 1253 A HN 0.266 nan 8.150 nan 0.000 0.460 1254 D N 0.557 121.002 120.400 0.075 0.000 2.434 1254 D HA 0.063 4.691 4.640 -0.021 0.000 0.252 1254 D C -1.365 174.980 176.300 0.075 0.000 1.185 1254 D CA -1.440 52.612 54.000 0.086 0.000 0.886 1254 D CB 1.194 42.069 40.800 0.124 0.000 1.148 1254 D HN 0.111 nan 8.370 nan 0.000 0.483 1255 P HA -0.136 nan 4.420 nan 0.000 0.218 1255 P C 0.676 178.018 177.300 0.070 0.000 1.148 1255 P CA 0.816 63.953 63.100 0.061 0.000 0.822 1255 P CB 0.476 32.205 31.700 0.047 0.000 0.784 1256 D N -0.343 120.097 120.400 0.067 0.000 2.144 1256 D HA -0.094 4.534 4.640 -0.021 0.000 0.200 1256 D C 2.024 178.381 176.300 0.095 0.000 0.978 1256 D CA 0.828 54.870 54.000 0.069 0.000 0.833 1256 D CB -0.279 40.554 40.800 0.054 0.000 0.961 1256 D HN 0.136 nan 8.370 nan 0.000 0.470 1257 I N 1.027 121.658 120.570 0.101 0.000 2.286 1257 I HA -0.152 4.005 4.170 -0.021 0.000 0.245 1257 I C 2.327 178.513 176.117 0.116 0.000 1.104 1257 I CA 0.829 62.197 61.300 0.113 0.000 1.397 1257 I CB -0.832 37.233 38.000 0.107 0.000 1.072 1257 I HN 0.003 nan 8.210 nan 0.000 0.417 1258 Q N 0.639 120.501 119.800 0.102 0.000 2.061 1258 Q HA -0.254 4.073 4.340 -0.021 0.000 0.204 1258 Q C 2.089 178.184 176.000 0.159 0.000 0.984 1258 Q CA 1.682 57.548 55.803 0.105 0.000 0.846 1258 Q CB -0.374 28.415 28.738 0.084 0.000 0.902 1258 Q HN 0.608 nan 8.270 nan 0.000 0.421 1259 E N 0.100 120.404 120.200 0.175 0.000 2.077 1259 E HA -0.166 4.171 4.350 -0.021 0.000 0.193 1259 E C 1.852 178.624 176.600 0.288 0.000 0.989 1259 E CA 1.067 57.620 56.400 0.257 0.000 0.800 1259 E CB -0.004 29.775 29.700 0.131 0.000 0.746 1259 E HN 0.280 nan 8.360 nan 0.000 0.452 1260 A N 1.104 124.057 122.820 0.223 0.000 1.877 1260 A HA -0.150 4.158 4.320 -0.021 0.000 0.216 1260 A C 2.178 180.004 177.584 0.404 0.000 1.186 1260 A CA 1.465 53.662 52.037 0.267 0.000 0.620 1260 A CB -0.641 18.502 19.000 0.239 0.000 0.822 1260 A HN 0.345 nan 8.150 nan 0.000 0.443 1261 I N 0.142 120.900 120.570 0.314 0.000 2.127 1261 I HA -0.286 3.871 4.170 -0.021 0.000 0.241 1261 I C 2.160 178.524 176.117 0.412 0.000 1.075 1261 I CA 1.493 62.974 61.300 0.302 0.000 1.334 1261 I CB -0.525 37.536 38.000 0.101 0.000 1.040 1261 I HN 0.297 nan 8.210 nan 0.000 0.405 1262 N N 0.129 118.975 118.700 0.243 0.000 2.188 1262 N HA -0.152 4.575 4.740 -0.021 0.000 0.184 1262 N C 1.599 177.091 175.510 -0.029 0.000 1.018 1262 N CA 1.456 54.556 53.050 0.083 0.000 0.858 1262 N CB -0.420 38.025 38.487 -0.070 0.000 0.989 1262 N HN 0.512 nan 8.380 nan 0.000 0.426 1263 H N 0.131 119.312 119.070 0.185 0.000 2.586 1263 H HA 0.283 4.827 4.556 -0.021 0.000 0.273 1263 H C -0.154 175.221 175.328 0.078 0.000 0.997 1263 H CA -0.145 55.976 56.048 0.122 0.000 1.177 1263 H CB 0.316 30.125 29.762 0.078 0.000 1.471 1263 H HN 0.068 nan 8.280 nan 0.000 0.538 1264 Q N 0.120 120.033 119.800 0.189 0.000 2.478 1264 Q HA -0.166 4.161 4.340 -0.021 0.000 0.286 1264 Q C -0.376 175.547 176.000 -0.127 0.000 1.299 1264 Q CA 0.714 56.459 55.803 -0.096 0.000 0.826 1264 Q CB -1.678 26.916 28.738 -0.240 0.000 1.199 1264 Q HN 0.383 nan 8.270 nan 0.000 0.451 1265 T N -0.682 113.886 114.554 0.024 0.000 2.893 1265 T HA 0.414 4.751 4.350 -0.021 0.000 0.279 1265 T C 0.303 175.016 174.700 0.022 0.000 0.991 1265 T CA -0.326 61.789 62.100 0.025 0.000 0.950 1265 T CB 1.509 70.426 68.868 0.082 0.000 1.223 1265 T HN 0.066 nan 8.240 nan 0.000 0.585 1266 T N 1.603 116.170 114.554 0.023 0.000 2.799 1266 T HA 0.669 5.006 4.350 -0.021 0.000 0.286 1266 T C -0.646 174.088 174.700 0.056 0.000 0.973 1266 T CA -0.402 61.719 62.100 0.035 0.000 1.035 1266 T CB 0.683 69.558 68.868 0.011 0.000 0.932 1266 T HN 0.714 nan 8.240 nan 0.000 0.469 1267 A N 2.878 125.743 122.820 0.076 0.000 2.539 1267 A HA 0.812 5.120 4.320 -0.021 0.000 0.296 1267 A C -0.539 177.078 177.584 0.056 0.000 1.073 1267 A CA -0.736 51.341 52.037 0.067 0.000 0.700 1267 A CB 1.850 20.905 19.000 0.092 0.000 1.296 1267 A HN 0.666 nan 8.150 nan 0.000 0.405 1268 T N 2.342 116.910 114.554 0.024 0.000 2.921 1268 T HA 0.635 4.972 4.350 -0.021 0.000 0.297 1268 T C -0.999 173.670 174.700 -0.051 0.000 1.013 1268 T CA -0.640 61.456 62.100 -0.006 0.000 0.990 1268 T CB 1.351 70.204 68.868 -0.026 0.000 1.023 1268 T HN 0.576 nan 8.240 nan 0.000 0.447 1269 K N 1.734 122.076 120.400 -0.097 0.000 2.508 1269 K HA 0.724 5.032 4.320 -0.021 0.000 0.260 1269 K C -1.077 175.272 176.600 -0.418 0.000 0.949 1269 K CA -0.791 55.346 56.287 -0.250 0.000 0.834 1269 K CB 2.510 34.920 32.500 -0.149 0.000 1.365 1269 K HN 0.570 nan 8.250 nan 0.000 0.437 1270 T N 1.601 115.762 114.554 -0.655 0.000 2.886 1270 T HA 0.652 4.989 4.350 -0.021 0.000 0.292 1270 T C -1.322 172.920 174.700 -0.764 0.000 1.012 1270 T CA -0.570 61.201 62.100 -0.548 0.000 0.982 1270 T CB 0.609 69.308 68.868 -0.281 0.000 1.018 1270 T HN 0.339 nan 8.240 nan 0.000 0.451 1271 Y N 0.409 120.638 120.300 -0.118 0.000 2.524 1271 Y HA 0.650 5.187 4.550 -0.021 0.000 0.347 1271 Y C 0.146 176.148 175.900 0.171 0.000 1.005 1271 Y CA -1.411 56.725 58.100 0.060 0.000 1.025 1271 Y CB 1.626 40.191 38.460 0.176 0.000 1.275 1271 Y HN 0.429 nan 8.280 nan 0.000 0.460 1272 R N 2.016 122.701 120.500 0.307 0.000 2.490 1272 R HA 0.554 4.881 4.340 -0.021 0.000 0.280 1272 R C -1.530 174.941 176.300 0.284 0.000 1.077 1272 R CA 0.051 56.302 56.100 0.252 0.000 1.065 1272 R CB 0.291 30.687 30.300 0.161 0.000 1.003 1272 R HN 0.747 nan 8.270 nan 0.000 0.470 1273 L N 4.736 126.101 121.223 0.236 0.000 2.354 1273 L HA 0.630 4.957 4.340 -0.021 0.000 0.269 1273 L C -0.668 176.260 176.870 0.097 0.000 1.005 1273 L CA -1.203 53.736 54.840 0.164 0.000 0.819 1273 L CB 2.067 44.198 42.059 0.121 0.000 1.311 1273 L HN 0.559 nan 8.230 nan 0.000 0.423 1274 V N -0.755 119.196 119.914 0.061 0.000 3.126 1274 V HA 0.408 4.516 4.120 -0.021 0.000 0.314 1274 V C 0.465 176.566 176.094 0.011 0.000 1.138 1274 V CA -0.546 61.777 62.300 0.039 0.000 1.034 1274 V CB 1.673 33.520 31.823 0.041 0.000 1.075 1274 V HN 0.892 nan 8.190 nan 0.000 0.442 1275 N N -0.159 118.548 118.700 0.011 0.000 2.443 1275 N HA -0.158 4.569 4.740 -0.021 0.000 0.184 1275 N C 1.115 176.597 175.510 -0.047 0.000 1.037 1275 N CA 1.756 54.805 53.050 -0.002 0.000 0.896 1275 N CB -0.411 38.096 38.487 0.033 0.000 0.959 1275 N HN 0.789 nan 8.380 nan 0.000 0.442 1276 T N -0.467 114.064 114.554 -0.038 0.000 2.962 1276 T HA -0.078 4.260 4.350 -0.021 0.000 0.270 1276 T C -0.125 174.500 174.700 -0.126 0.000 1.088 1276 T CA 0.715 62.749 62.100 -0.110 0.000 1.127 1276 T CB -0.257 68.601 68.868 -0.016 0.000 0.883 1276 T HN 0.311 nan 8.240 nan 0.000 0.493 1277 D N 2.658 123.021 120.400 -0.060 0.000 2.374 1277 D HA 0.295 4.923 4.640 -0.021 0.000 0.240 1277 D C 0.158 176.431 176.300 -0.045 0.000 1.229 1277 D CA 0.119 54.101 54.000 -0.029 0.000 0.895 1277 D CB 0.676 41.478 40.800 0.002 0.000 1.046 1277 D HN 0.249 nan 8.370 nan 0.000 0.498 1278 R N 0.096 120.563 120.500 -0.054 0.000 2.668 1278 R HA 0.359 4.686 4.340 -0.021 0.000 0.279 1278 R C 0.497 176.865 176.300 0.113 0.000 0.976 1278 R CA -0.609 55.457 56.100 -0.057 0.000 0.978 1278 R CB 1.021 31.119 30.300 -0.337 0.000 1.133 1278 R HN 0.196 nan 8.270 nan 0.000 0.484 1279 T N -1.074 113.549 114.554 0.115 0.000 4.096 1279 T HA -0.158 4.180 4.350 -0.021 0.000 0.343 1279 T C 0.152 174.874 174.700 0.036 0.000 0.756 1279 T CA 0.871 63.050 62.100 0.132 0.000 1.914 1279 T CB -1.954 67.075 68.868 0.268 0.000 1.873 1279 T HN 0.503 nan 8.240 nan 0.000 0.850 1280 V N -0.587 119.298 119.914 -0.047 0.000 2.715 1280 V HA 0.598 4.705 4.120 -0.021 0.000 0.299 1280 V C 1.445 177.372 176.094 -0.279 0.000 1.054 1280 V CA 1.290 63.492 62.300 -0.163 0.000 1.077 1280 V CB 0.849 32.523 31.823 -0.248 0.000 0.972 1280 V HN 1.541 nan 8.190 nan 0.000 0.484 1281 G N 3.891 112.610 108.800 -0.135 0.000 2.284 1281 G HA2 -0.332 3.615 3.960 -0.021 0.000 0.230 1281 G HA3 -0.332 3.615 3.960 -0.021 0.000 0.230 1281 G C 0.888 175.766 174.900 -0.037 0.000 1.021 1281 G CA 0.704 45.757 45.100 -0.078 0.000 0.619 1281 G HN 1.149 nan 8.290 nan 0.000 0.510 1282 T N 0.256 114.794 114.554 -0.027 0.000 2.788 1282 T HA -0.036 4.301 4.350 -0.021 0.000 0.268 1282 T C 2.159 176.868 174.700 0.015 0.000 1.044 1282 T CA 1.796 63.917 62.100 0.036 0.000 1.139 1282 T CB -0.111 68.813 68.868 0.093 0.000 0.867 1282 T HN 0.493 nan 8.240 nan 0.000 0.454 1283 R N 0.309 120.806 120.500 -0.006 0.000 2.115 1283 R HA -0.003 4.325 4.340 -0.021 0.000 0.230 1283 R C 2.321 178.603 176.300 -0.029 0.000 1.111 1283 R CA 0.835 56.919 56.100 -0.027 0.000 0.976 1283 R CB -0.382 29.897 30.300 -0.035 0.000 0.870 1283 R HN 0.276 nan 8.270 nan 0.000 0.445 1284 L N 0.352 121.565 121.223 -0.018 0.000 2.046 1284 L HA -0.088 4.240 4.340 -0.021 0.000 0.208 1284 L C 1.867 178.710 176.870 -0.044 0.000 1.077 1284 L CA 1.883 56.708 54.840 -0.024 0.000 0.747 1284 L CB -0.520 41.540 42.059 0.003 0.000 0.896 1284 L HN 0.061 nan 8.230 nan 0.000 0.432 1285 S N 0.093 115.780 115.700 -0.023 0.000 2.370 1285 S HA -0.144 4.313 4.470 -0.021 0.000 0.226 1285 S C 1.941 176.521 174.600 -0.034 0.000 1.033 1285 S CA 1.177 59.367 58.200 -0.016 0.000 1.011 1285 S CB -1.217 62.007 63.200 0.040 0.000 0.852 1285 S HN 0.715 nan 8.310 nan 0.000 0.457 1286 G N 1.405 110.179 108.800 -0.042 0.000 2.440 1286 G HA2 -0.108 3.840 3.960 -0.021 0.000 0.218 1286 G HA3 -0.108 3.840 3.960 -0.021 0.000 0.218 1286 G C 1.567 176.422 174.900 -0.075 0.000 1.154 1286 G CA 1.005 46.064 45.100 -0.069 0.000 0.767 1286 G HN 0.595 nan 8.290 nan 0.000 0.552 1287 A N 0.730 123.506 122.820 -0.073 0.000 1.877 1287 A HA 0.056 4.363 4.320 -0.021 0.000 0.216 1287 A C 2.421 179.947 177.584 -0.096 0.000 1.186 1287 A CA 1.325 53.313 52.037 -0.082 0.000 0.620 1287 A CB -0.357 18.602 19.000 -0.069 0.000 0.822 1287 A HN 0.380 nan 8.150 nan 0.000 0.443 1288 I N -0.224 120.280 120.570 -0.110 0.000 2.179 1288 I HA -0.290 3.868 4.170 -0.021 0.000 0.242 1288 I C 2.967 179.093 176.117 0.015 0.000 1.088 1288 I CA 1.179 62.415 61.300 -0.106 0.000 1.357 1288 I CB -0.390 37.419 38.000 -0.319 0.000 1.051 1288 I HN 0.358 nan 8.210 nan 0.000 0.409 1289 A N 0.565 123.379 122.820 -0.010 0.000 1.933 1289 A HA -0.248 4.060 4.320 -0.021 0.000 0.218 1289 A C 2.384 179.954 177.584 -0.022 0.000 1.175 1289 A CA 1.751 53.799 52.037 0.019 0.000 0.628 1289 A CB -0.520 18.482 19.000 0.003 0.000 0.814 1289 A HN 0.366 nan 8.150 nan 0.000 0.444 1290 K N -0.413 119.943 120.400 -0.074 0.000 2.097 1290 K HA -0.178 4.130 4.320 -0.021 0.000 0.206 1290 K C 1.882 178.396 176.600 -0.143 0.000 1.049 1290 K CA 1.830 58.053 56.287 -0.106 0.000 0.933 1290 K CB -0.103 32.329 32.500 -0.114 0.000 0.717 1290 K HN 0.361 nan 8.250 nan 0.000 0.442 1291 K N -1.258 119.009 120.400 -0.222 0.000 2.211 1291 K HA -0.009 4.298 4.320 -0.021 0.000 0.201 1291 K C 0.848 177.152 176.600 -0.493 0.000 1.052 1291 K CA 1.027 57.037 56.287 -0.463 0.000 0.973 1291 K CB 0.287 32.316 32.500 -0.785 0.000 0.766 1291 K HN 0.198 nan 8.250 nan 0.000 0.466 1292 Y N -0.973 119.341 120.300 0.022 0.000 2.563 1292 Y HA 0.273 4.810 4.550 -0.021 0.000 0.250 1292 Y C 0.876 176.819 175.900 0.071 0.000 1.126 1292 Y CA -0.316 57.825 58.100 0.068 0.000 1.231 1292 Y CB 1.300 39.836 38.460 0.126 0.000 1.288 1292 Y HN 0.112 nan 8.280 nan 0.000 0.537 1293 G N 1.381 110.280 108.800 0.165 0.000 2.645 1293 G HA2 -0.347 3.601 3.960 -0.021 0.000 0.246 1293 G HA3 -0.347 3.601 3.960 -0.021 0.000 0.246 1293 G C 0.485 175.477 174.900 0.153 0.000 1.322 1293 G CA 0.229 45.419 45.100 0.149 0.000 0.898 1293 G HN 0.297 nan 8.290 nan 0.000 0.573 1294 N N 1.086 119.868 118.700 0.136 0.000 2.331 1294 N HA -0.043 4.685 4.740 -0.021 0.000 0.180 1294 N C 1.411 176.996 175.510 0.125 0.000 1.019 1294 N CA 1.491 54.613 53.050 0.120 0.000 0.881 1294 N CB -0.130 38.419 38.487 0.104 0.000 0.972 1294 N HN 0.527 nan 8.380 nan 0.000 0.435 1295 N N -1.144 117.634 118.700 0.129 0.000 2.143 1295 N HA 0.129 4.857 4.740 -0.021 0.000 0.229 1295 N C 1.182 176.758 175.510 0.110 0.000 1.294 1295 N CA 0.076 53.191 53.050 0.109 0.000 0.883 1295 N CB 0.935 39.469 38.487 0.078 0.000 1.148 1295 N HN 0.138 nan 8.380 nan 0.000 0.511 1296 G N -0.091 108.806 108.800 0.161 0.000 2.603 1296 G HA2 -0.033 3.914 3.960 -0.021 0.000 0.214 1296 G HA3 -0.033 3.914 3.960 -0.021 0.000 0.214 1296 G C 0.196 175.109 174.900 0.022 0.000 1.140 1296 G CA -0.136 45.055 45.100 0.151 0.000 0.800 1296 G HN 0.146 nan 8.290 nan 0.000 0.533 1297 F N 1.799 121.620 119.950 -0.214 0.000 2.541 1297 F HA 0.304 4.818 4.527 -0.021 0.000 0.378 1297 F C 1.085 176.727 175.800 -0.262 0.000 1.068 1297 F CA -0.730 56.980 58.000 -0.483 0.000 1.199 1297 F CB 0.978 39.796 39.000 -0.304 0.000 1.091 1297 F HN 0.109 nan 8.300 nan 0.000 0.555 1298 E N 3.093 122.826 120.200 -0.778 0.000 2.481 1298 E HA 0.186 4.524 4.350 -0.021 0.000 0.198 1298 E C 1.076 177.207 176.600 -0.781 0.000 1.027 1298 E CA -0.189 55.863 56.400 -0.579 0.000 0.900 1298 E CB 0.329 29.832 29.700 -0.329 0.000 0.993 1298 E HN 0.793 nan 8.360 nan 0.000 0.482 1299 G N 0.925 108.723 108.800 -1.670 0.000 2.563 1299 G HA2 0.165 4.112 3.960 -0.021 0.000 0.283 1299 G HA3 0.165 4.112 3.960 -0.021 0.000 0.283 1299 G C -0.303 174.273 174.900 -0.540 0.000 1.309 1299 G CA -0.325 44.081 45.100 -1.157 0.000 1.022 1299 G HN 0.043 nan 8.290 nan 0.000 0.501 1300 N N -0.780 117.860 118.700 -0.100 0.000 2.594 1300 N HA 0.257 4.984 4.740 -0.021 0.000 0.280 1300 N C -1.327 174.274 175.510 0.151 0.000 1.156 1300 N CA -0.471 52.617 53.050 0.063 0.000 0.831 1300 N CB 0.873 39.363 38.487 0.005 0.000 1.379 1300 N HN 0.316 nan 8.380 nan 0.000 0.536 1301 I N 1.878 122.585 120.570 0.228 0.000 2.354 1301 I HA 0.319 4.476 4.170 -0.021 0.000 0.292 1301 I C 0.031 176.242 176.117 0.157 0.000 0.989 1301 I CA -0.395 61.018 61.300 0.187 0.000 1.188 1301 I CB 1.822 39.943 38.000 0.201 0.000 1.342 1301 I HN 0.263 nan 8.210 nan 0.000 0.457 1302 T N 7.605 122.235 114.554 0.127 0.000 2.770 1302 T HA 0.559 4.896 4.350 -0.021 0.000 0.283 1302 T C -0.274 174.482 174.700 0.094 0.000 0.988 1302 T CA -0.442 61.738 62.100 0.133 0.000 0.957 1302 T CB 0.674 69.607 68.868 0.109 0.000 0.930 1302 T HN 0.273 nan 8.240 nan 0.000 0.443 1303 L N 4.379 125.674 121.223 0.119 0.000 2.319 1303 L HA 0.501 4.828 4.340 -0.021 0.000 0.281 1303 L C -0.045 176.747 176.870 -0.130 0.000 1.005 1303 L CA -0.981 53.836 54.840 -0.038 0.000 0.828 1303 L CB 0.990 43.077 42.059 0.047 0.000 1.227 1303 L HN 0.486 nan 8.230 nan 0.000 0.415 1304 N N 3.922 122.453 118.700 -0.282 0.000 2.425 1304 N HA 0.511 5.238 4.740 -0.021 0.000 0.268 1304 N C -1.032 174.282 175.510 -0.327 0.000 0.991 1304 N CA -0.151 52.805 53.050 -0.158 0.000 0.931 1304 N CB 1.645 40.063 38.487 -0.116 0.000 1.130 1304 N HN 0.267 nan 8.380 nan 0.000 0.493 1305 F N 0.488 120.583 119.950 0.241 0.000 2.522 1305 F HA 0.408 4.922 4.527 -0.021 0.000 0.324 1305 F C 0.473 176.347 175.800 0.122 0.000 1.077 1305 F CA -0.800 57.330 58.000 0.216 0.000 0.944 1305 F CB 1.813 40.974 39.000 0.267 0.000 1.175 1305 F HN 0.078 nan 8.300 nan 0.000 0.468 1306 Q N 1.369 121.354 119.800 0.308 0.000 2.304 1306 Q HA 0.694 5.021 4.340 -0.021 0.000 0.270 1306 Q C -0.197 175.947 176.000 0.239 0.000 1.035 1306 Q CA -0.875 55.069 55.803 0.235 0.000 0.781 1306 Q CB 2.689 31.551 28.738 0.207 0.000 1.261 1306 Q HN 0.987 nan 8.270 nan 0.000 0.444 1307 G N 0.990 109.932 108.800 0.238 0.000 2.302 1307 G HA2 0.289 4.237 3.960 -0.021 0.000 0.276 1307 G HA3 0.289 4.237 3.960 -0.021 0.000 0.276 1307 G C -1.724 173.228 174.900 0.087 0.000 1.316 1307 G CA -0.444 44.778 45.100 0.203 0.000 0.988 1307 G HN 0.675 nan 8.290 nan 0.000 0.479 1308 A N -0.234 122.619 122.820 0.056 0.000 2.253 1308 A HA 0.905 5.212 4.320 -0.021 0.000 0.316 1308 A C 0.662 178.209 177.584 -0.061 0.000 1.327 1308 A CA 0.937 52.966 52.037 -0.014 0.000 0.917 1308 A CB 0.301 19.309 19.000 0.014 0.000 1.162 1308 A HN 2.404 nan 8.150 nan 0.000 0.535 1309 A N 2.681 125.407 122.820 -0.157 0.000 2.388 1309 A HA 0.598 4.906 4.320 -0.021 0.000 0.257 1309 A C 1.000 178.535 177.584 -0.082 0.000 1.095 1309 A CA 0.298 52.233 52.037 -0.171 0.000 0.791 1309 A CB 0.051 18.791 19.000 -0.435 0.000 1.029 1309 A HN 1.449 nan 8.150 nan 0.000 0.489 1310 G N 0.658 109.430 108.800 -0.046 0.000 2.611 1310 G HA2 0.407 4.355 3.960 -0.021 0.000 0.273 1310 G HA3 0.407 4.355 3.960 -0.021 0.000 0.273 1310 G C -0.029 174.863 174.900 -0.014 0.000 1.305 1310 G CA -0.554 44.515 45.100 -0.052 0.000 1.010 1310 G HN 0.793 nan 8.290 nan 0.000 0.509 1311 Q N -0.593 119.191 119.800 -0.026 0.000 2.369 1311 Q HA 0.074 4.401 4.340 -0.021 0.000 0.295 1311 Q C 0.777 176.850 176.000 0.123 0.000 1.075 1311 Q CA 1.027 56.851 55.803 0.035 0.000 0.941 1311 Q CB 0.670 29.468 28.738 0.100 0.000 1.260 1311 Q HN 0.663 nan 8.270 nan 0.000 0.417 1312 S N 0.142 115.964 115.700 0.203 0.000 3.586 1312 S HA -0.224 4.233 4.470 -0.021 0.000 0.309 1312 S C -0.069 174.607 174.600 0.127 0.000 1.195 1312 S CA 0.522 58.839 58.200 0.194 0.000 0.895 1312 S CB -1.852 61.461 63.200 0.189 0.000 0.983 1312 S HN 0.584 nan 8.310 nan 0.000 0.563 1313 F N 2.477 122.422 119.950 -0.008 0.000 2.590 1313 F HA 0.386 4.900 4.527 -0.021 0.000 0.389 1313 F C 1.382 177.163 175.800 -0.031 0.000 1.049 1313 F CA 1.255 59.223 58.000 -0.053 0.000 1.199 1313 F CB -0.084 38.871 39.000 -0.075 0.000 1.058 1313 F HN 0.503 nan 8.300 nan 0.000 0.556 1314 G N 4.014 112.415 108.800 -0.665 0.000 2.153 1314 G HA2 -0.167 3.781 3.960 -0.021 0.000 0.252 1314 G HA3 -0.167 3.781 3.960 -0.021 0.000 0.252 1314 G C 0.347 175.127 174.900 -0.201 0.000 0.994 1314 G CA 0.003 44.825 45.100 -0.464 0.000 0.698 1314 G HN 1.413 nan 8.290 nan 0.000 0.521 1315 A N -0.730 122.004 122.820 -0.142 0.000 2.565 1315 A HA 0.535 4.842 4.320 -0.021 0.000 0.237 1315 A C 1.132 178.668 177.584 -0.081 0.000 1.053 1315 A CA 1.211 53.131 52.037 -0.196 0.000 0.755 1315 A CB -0.381 18.559 19.000 -0.101 0.000 0.980 1315 A HN 1.538 nan 8.150 nan 0.000 0.506 1316 F N -0.705 119.221 119.950 -0.040 0.000 3.093 1316 F HA -0.226 4.289 4.527 -0.021 0.000 0.287 1316 F C 0.744 176.523 175.800 -0.035 0.000 0.882 1316 F CA 0.836 58.814 58.000 -0.036 0.000 1.063 1316 F CB -2.079 36.902 39.000 -0.031 0.000 1.097 1316 F HN 0.779 nan 8.300 nan 0.000 0.604 1317 N N 1.229 119.951 118.700 0.036 0.000 2.407 1317 N HA 0.433 5.160 4.740 -0.021 0.000 0.250 1317 N C -0.220 175.322 175.510 0.054 0.000 1.236 1317 N CA 0.455 53.519 53.050 0.023 0.000 0.879 1317 N CB 0.481 38.953 38.487 -0.024 0.000 1.088 1317 N HN 0.332 nan 8.380 nan 0.000 0.450 1318 L N 1.245 122.505 121.223 0.062 0.000 2.319 1318 L HA 0.392 4.720 4.340 -0.021 0.000 0.267 1318 L C -0.137 176.792 176.870 0.099 0.000 1.011 1318 L CA -1.217 53.671 54.840 0.081 0.000 0.818 1318 L CB 1.389 43.496 42.059 0.080 0.000 1.316 1318 L HN 0.483 nan 8.230 nan 0.000 0.432 1319 D N 1.113 121.578 120.400 0.109 0.000 2.506 1319 D HA 0.228 4.855 4.640 -0.021 0.000 0.234 1319 D C 0.990 177.412 176.300 0.203 0.000 1.143 1319 D CA 1.765 55.839 54.000 0.123 0.000 0.871 1319 D CB 0.972 41.833 40.800 0.101 0.000 1.190 1319 D HN 0.809 nan 8.370 nan 0.000 0.459 1320 G N 1.396 110.308 108.800 0.187 0.000 2.175 1320 G HA2 -0.256 3.692 3.960 -0.021 0.000 0.244 1320 G HA3 -0.256 3.692 3.960 -0.021 0.000 0.244 1320 G C 0.215 175.286 174.900 0.284 0.000 0.982 1320 G CA 0.178 45.443 45.100 0.274 0.000 0.641 1320 G HN 0.457 nan 8.290 nan 0.000 0.527 1321 M N 1.514 121.226 119.600 0.188 0.000 2.243 1321 M HA 0.536 5.004 4.480 -0.021 0.000 0.324 1321 M C -0.726 175.645 176.300 0.119 0.000 1.031 1321 M CA -0.346 55.042 55.300 0.148 0.000 0.949 1321 M CB 2.180 34.842 32.600 0.103 0.000 1.615 1321 M HN -0.010 nan 8.290 nan 0.000 0.430 1322 T N 4.941 119.578 114.554 0.139 0.000 2.809 1322 T HA 0.592 4.929 4.350 -0.021 0.000 0.296 1322 T C -0.405 174.399 174.700 0.175 0.000 1.015 1322 T CA -0.560 61.620 62.100 0.133 0.000 0.954 1322 T CB 0.516 69.492 68.868 0.179 0.000 0.950 1322 T HN 0.508 nan 8.240 nan 0.000 0.450 1323 L N 4.521 125.821 121.223 0.128 0.000 2.287 1323 L HA 0.503 4.830 4.340 -0.021 0.000 0.287 1323 L C 0.182 177.201 176.870 0.248 0.000 1.022 1323 L CA -0.901 54.099 54.840 0.265 0.000 0.814 1323 L CB 0.872 43.038 42.059 0.178 0.000 1.217 1323 L HN 0.529 nan 8.230 nan 0.000 0.420 1324 H N 4.148 123.437 119.070 0.364 0.000 2.466 1324 H HA 0.478 5.021 4.556 -0.021 0.000 0.338 1324 H C -1.106 174.444 175.328 0.371 0.000 1.091 1324 H CA -0.712 55.507 56.048 0.284 0.000 1.207 1324 H CB 3.111 32.966 29.762 0.154 0.000 1.466 1324 H HN 0.281 nan 8.280 nan 0.000 0.493 1325 L N 3.455 124.868 121.223 0.316 0.000 2.376 1325 L HA 0.229 4.557 4.340 -0.021 0.000 0.275 1325 L C -0.492 176.396 176.870 0.030 0.000 0.987 1325 L CA -0.415 54.502 54.840 0.127 0.000 0.828 1325 L CB 1.908 43.807 42.059 -0.267 0.000 1.249 1325 L HN 0.612 nan 8.230 nan 0.000 0.409 1326 Q N 4.579 124.385 119.800 0.009 0.000 2.368 1326 Q HA 0.654 4.981 4.340 -0.021 0.000 0.256 1326 Q C -0.156 175.604 176.000 -0.400 0.000 0.980 1326 Q CA 0.324 56.053 55.803 -0.123 0.000 0.887 1326 Q CB 1.060 29.786 28.738 -0.021 0.000 1.221 1326 Q HN 1.021 nan 8.270 nan 0.000 0.458 1327 G N 3.578 112.034 108.800 -0.573 0.000 2.061 1327 G HA2 -0.083 3.865 3.960 -0.021 0.000 0.059 1327 G HA3 -0.083 3.865 3.960 -0.021 0.000 0.059 1327 G C -1.261 173.497 174.900 -0.236 0.000 1.013 1327 G CA 0.074 44.776 45.100 -0.663 0.000 1.185 1327 G HN 0.729 nan 8.290 nan 0.000 0.410 1328 E N -0.401 119.710 120.200 -0.148 0.000 2.437 1328 E HA 0.703 5.041 4.350 -0.021 0.000 0.280 1328 E C -0.703 175.807 176.600 -0.151 0.000 1.044 1328 E CA -0.566 55.769 56.400 -0.108 0.000 0.826 1328 E CB 1.708 31.378 29.700 -0.050 0.000 1.358 1328 E HN 1.756 nan 8.360 nan 0.000 0.459 1329 A N 1.067 123.807 122.820 -0.133 0.000 2.469 1329 A HA 0.555 4.863 4.320 -0.021 0.000 0.299 1329 A C -0.565 176.966 177.584 -0.088 0.000 1.098 1329 A CA -0.821 51.132 52.037 -0.141 0.000 0.737 1329 A CB 1.416 20.320 19.000 -0.160 0.000 1.312 1329 A HN 0.635 nan 8.150 nan 0.000 0.414 1330 N N 0.046 118.696 118.700 -0.082 0.000 2.477 1330 N HA 0.148 4.876 4.740 -0.021 0.000 0.284 1330 N C -0.734 174.685 175.510 -0.152 0.000 1.353 1330 N CA -0.327 52.662 53.050 -0.101 0.000 0.907 1330 N CB 0.064 38.500 38.487 -0.085 0.000 1.096 1330 N HN 0.706 nan 8.380 nan 0.000 0.479 1331 D N -0.144 120.068 120.400 -0.313 0.000 2.358 1331 D HA 0.109 4.736 4.640 -0.021 0.000 0.244 1331 D C -0.076 175.969 176.300 -0.425 0.000 1.163 1331 D CA 0.307 53.957 54.000 -0.584 0.000 0.945 1331 D CB 0.265 40.297 40.800 -1.280 0.000 1.152 1331 D HN 0.524 nan 8.370 nan 0.000 0.451 1332 Y N -2.831 117.487 120.300 0.029 0.000 4.032 1332 Y HA -0.238 4.299 4.550 -0.021 0.000 0.230 1332 Y C 0.218 176.132 175.900 0.023 0.000 1.202 1332 Y CA -0.688 57.422 58.100 0.018 0.000 1.878 1332 Y CB -2.235 36.232 38.460 0.013 0.000 1.586 1332 Y HN 0.035 nan 8.280 nan 0.000 0.673 1333 V N 0.963 120.965 119.914 0.147 0.000 2.617 1333 V HA 0.232 4.339 4.120 -0.021 0.000 0.304 1333 V C 1.523 177.666 176.094 0.082 0.000 1.040 1333 V CA 1.275 63.667 62.300 0.155 0.000 1.149 1333 V CB 0.804 32.736 31.823 0.183 0.000 0.914 1333 V HN 0.940 nan 8.190 nan 0.000 0.487 1334 G N 3.565 112.378 108.800 0.023 0.000 2.225 1334 G HA2 -0.313 3.635 3.960 -0.021 0.000 0.267 1334 G HA3 -0.313 3.635 3.960 -0.021 0.000 0.267 1334 G C 0.388 175.194 174.900 -0.157 0.000 1.024 1334 G CA 0.643 45.699 45.100 -0.072 0.000 0.784 1334 G HN 0.860 nan 8.290 nan 0.000 0.507 1335 K N 0.343 120.642 120.400 -0.169 0.000 2.491 1335 K HA 0.334 4.641 4.320 -0.021 0.000 0.279 1335 K C 1.633 177.813 176.600 -0.701 0.000 1.026 1335 K CA 0.896 57.011 56.287 -0.286 0.000 1.070 1335 K CB -0.403 31.970 32.500 -0.211 0.000 0.887 1335 K HN 1.484 nan 8.250 nan 0.000 0.481 1336 G N 4.204 112.639 108.800 -0.607 0.000 2.187 1336 G HA2 -0.336 3.611 3.960 -0.021 0.000 0.261 1336 G HA3 -0.336 3.611 3.960 -0.021 0.000 0.261 1336 G C 0.221 174.887 174.900 -0.392 0.000 1.000 1336 G CA 0.618 45.310 45.100 -0.680 0.000 0.718 1336 G HN 0.754 nan 8.290 nan 0.000 0.519 1337 M N 0.080 119.509 119.600 -0.284 0.000 2.248 1337 M HA 0.202 4.669 4.480 -0.021 0.000 0.343 1337 M C 1.207 177.484 176.300 -0.038 0.000 1.243 1337 M CA 1.421 56.645 55.300 -0.126 0.000 1.025 1337 M CB 0.298 32.833 32.600 -0.108 0.000 1.759 1337 M HN 0.253 nan 8.290 nan 0.000 0.452 1338 N N 2.193 120.907 118.700 0.023 0.000 2.332 1338 N HA 0.379 5.106 4.740 -0.021 0.000 0.190 1338 N C -0.188 175.344 175.510 0.037 0.000 1.117 1338 N CA 0.524 53.600 53.050 0.044 0.000 0.883 1338 N CB 0.889 39.429 38.487 0.088 0.000 1.089 1338 N HN 0.796 nan 8.380 nan 0.000 0.480 1339 G N -1.968 106.853 108.800 0.036 0.000 2.489 1339 G HA2 0.479 4.427 3.960 -0.021 0.000 0.305 1339 G HA3 0.479 4.427 3.960 -0.021 0.000 0.305 1339 G C -0.276 174.649 174.900 0.041 0.000 1.311 1339 G CA -0.128 44.997 45.100 0.042 0.000 0.813 1339 G HN 0.551 nan 8.290 nan 0.000 0.480 1340 G N -0.917 107.917 108.800 0.056 0.000 2.642 1340 G HA2 0.158 4.106 3.960 -0.021 0.000 0.231 1340 G HA3 0.158 4.106 3.960 -0.021 0.000 0.231 1340 G C -0.468 174.457 174.900 0.042 0.000 1.338 1340 G CA 0.414 45.552 45.100 0.062 0.000 0.883 1340 G HN 1.054 nan 8.290 nan 0.000 0.570 1341 E N -0.892 119.329 120.200 0.034 0.000 2.275 1341 E HA 0.603 4.940 4.350 -0.021 0.000 0.270 1341 E C -0.612 175.975 176.600 -0.022 0.000 0.882 1341 E CA -0.657 55.744 56.400 0.002 0.000 0.758 1341 E CB 2.113 31.804 29.700 -0.015 0.000 1.195 1341 E HN 0.544 nan 8.360 nan 0.000 0.419 1342 I N 2.481 123.043 120.570 -0.013 0.000 2.406 1342 I HA 0.412 4.569 4.170 -0.021 0.000 0.290 1342 I C -0.900 175.242 176.117 0.041 0.000 0.999 1342 I CA -1.045 60.278 61.300 0.038 0.000 1.124 1342 I CB 1.751 39.806 38.000 0.091 0.000 1.289 1342 I HN 0.173 nan 8.210 nan 0.000 0.441 1343 V N 7.472 127.383 119.914 -0.004 0.000 2.482 1343 V HA 0.493 4.601 4.120 -0.021 0.000 0.295 1343 V C -0.259 175.882 176.094 0.078 0.000 1.026 1343 V CA -0.372 61.920 62.300 -0.013 0.000 0.856 1343 V CB 1.978 33.620 31.823 -0.302 0.000 1.001 1343 V HN 0.485 nan 8.190 nan 0.000 0.424 1344 I N 6.080 126.715 120.570 0.108 0.000 2.436 1344 I HA 0.735 4.892 4.170 -0.021 0.000 0.289 1344 I C -0.550 175.599 176.117 0.053 0.000 1.010 1344 I CA -0.947 60.393 61.300 0.067 0.000 1.098 1344 I CB 2.088 40.115 38.000 0.046 0.000 1.266 1344 I HN 0.501 nan 8.210 nan 0.000 0.434 1345 V N 4.115 124.038 119.914 0.014 0.000 3.007 1345 V HA 0.721 4.828 4.120 -0.021 0.000 0.311 1345 V C -2.830 173.225 176.094 -0.065 0.000 1.120 1345 V CA -2.184 60.113 62.300 -0.004 0.000 0.980 1345 V CB 2.003 33.830 31.823 0.007 0.000 1.033 1345 V HN 0.457 nan 8.190 nan 0.000 0.429 1346 P HA 0.255 nan 4.420 nan 0.000 0.274 1346 P C -0.572 176.639 177.300 -0.147 0.000 1.256 1346 P CA -0.077 62.965 63.100 -0.096 0.000 0.795 1346 P CB 0.296 31.966 31.700 -0.050 0.000 1.038 1347 H N 1.020 120.080 119.070 -0.018 0.000 2.928 1347 H HA 0.005 4.548 4.556 -0.021 0.000 0.338 1347 H C -1.237 174.043 175.328 -0.079 0.000 1.047 1347 H CA -0.603 55.426 56.048 -0.031 0.000 1.435 1347 H CB -0.415 29.341 29.762 -0.010 0.000 1.428 1347 H HN 0.312 nan 8.280 nan 0.000 0.590 1348 P HA -0.149 nan 4.420 nan 0.000 0.217 1348 P C 1.058 178.339 177.300 -0.032 0.000 1.148 1348 P CA 1.426 64.522 63.100 -0.005 0.000 0.828 1348 P CB 0.271 31.975 31.700 0.008 0.000 0.783 1349 Q N -1.117 118.677 119.800 -0.009 0.000 2.472 1349 Q HA 0.148 4.475 4.340 -0.021 0.000 0.208 1349 Q C 0.728 176.689 176.000 -0.066 0.000 0.958 1349 Q CA -0.114 55.669 55.803 -0.033 0.000 0.932 1349 Q CB -0.160 28.563 28.738 -0.025 0.000 1.007 1349 Q HN 0.164 nan 8.270 nan 0.000 0.508 1350 A N 1.079 123.824 122.820 -0.125 0.000 2.477 1350 A HA 0.146 4.453 4.320 -0.021 0.000 0.246 1350 A C 0.975 178.346 177.584 -0.354 0.000 1.078 1350 A CA 0.156 52.013 52.037 -0.302 0.000 0.770 1350 A CB 0.376 18.971 19.000 -0.676 0.000 1.011 1350 A HN 0.296 nan 8.150 nan 0.000 0.494 1351 S N 1.512 117.060 115.700 -0.253 0.000 2.523 1351 S HA 0.221 4.678 4.470 -0.021 0.000 0.217 1351 S C 0.319 174.856 174.600 -0.105 0.000 0.996 1351 S CA -0.221 57.888 58.200 -0.151 0.000 0.921 1351 S CB -0.593 62.585 63.200 -0.036 0.000 0.829 1351 S HN 0.881 nan 8.310 nan 0.000 0.495 1352 F N 2.442 122.406 119.950 0.024 0.000 2.506 1352 F HA 0.702 5.217 4.527 -0.021 0.000 0.351 1352 F C 0.496 176.308 175.800 0.019 0.000 1.136 1352 F CA -1.486 56.527 58.000 0.022 0.000 1.298 1352 F CB -0.107 38.905 39.000 0.020 0.000 1.145 1352 F HN 0.136 nan 8.300 nan 0.000 0.593 1353 A N 4.465 127.446 122.820 0.267 0.000 2.476 1353 A HA 0.314 4.621 4.320 -0.021 0.000 0.275 1353 A C -1.615 176.130 177.584 0.268 0.000 1.133 1353 A CA -1.165 50.978 52.037 0.176 0.000 0.797 1353 A CB -0.525 18.551 19.000 0.126 0.000 1.081 1353 A HN 0.713 nan 8.150 nan 0.000 0.510 1354 P HA -0.227 nan 4.420 nan 0.000 0.216 1354 P C 1.421 178.824 177.300 0.171 0.000 1.150 1354 P CA 1.578 64.820 63.100 0.238 0.000 0.843 1354 P CB 0.176 31.944 31.700 0.113 0.000 0.787 1355 E N -0.371 119.901 120.200 0.120 0.000 2.268 1355 E HA -0.185 4.153 4.350 -0.021 0.000 0.195 1355 E C 0.577 177.213 176.600 0.060 0.000 0.995 1355 E CA 1.240 57.690 56.400 0.083 0.000 0.836 1355 E CB -0.898 28.844 29.700 0.070 0.000 0.763 1355 E HN 0.260 nan 8.360 nan 0.000 0.491 1356 D N 0.649 121.093 120.400 0.073 0.000 2.339 1356 D HA 0.125 4.753 4.640 -0.021 0.000 0.217 1356 D C -0.126 176.164 176.300 -0.016 0.000 1.050 1356 D CA 0.102 54.123 54.000 0.036 0.000 0.856 1356 D CB 0.138 40.968 40.800 0.051 0.000 0.922 1356 D HN 0.123 nan 8.370 nan 0.000 0.518 1357 N N 0.076 118.767 118.700 -0.015 0.000 2.238 1357 N HA 0.213 4.941 4.740 -0.021 0.000 0.302 1357 N C -0.617 174.829 175.510 -0.108 0.000 1.072 1357 N CA -0.514 52.455 53.050 -0.134 0.000 0.792 1357 N CB 3.206 41.505 38.487 -0.313 0.000 1.425 1357 N HN -0.260 nan 8.380 nan 0.000 0.478 1358 V N 2.436 122.244 119.914 -0.177 0.000 2.572 1358 V HA 0.131 4.238 4.120 -0.021 0.000 0.291 1358 V C 1.323 177.355 176.094 -0.104 0.000 1.039 1358 V CA 0.375 62.591 62.300 -0.140 0.000 1.055 1358 V CB 0.797 32.505 31.823 -0.190 0.000 0.969 1358 V HN 0.712 nan 8.190 nan 0.000 0.482 1359 I N 4.021 124.558 120.570 -0.055 0.000 4.526 1359 I HA 0.439 4.596 4.170 -0.021 0.000 0.330 1359 I C 0.053 176.148 176.117 -0.036 0.000 1.323 1359 I CA 0.349 61.631 61.300 -0.029 0.000 1.218 1359 I CB 0.734 38.743 38.000 0.014 0.000 1.233 1359 I HN 0.486 nan 8.210 nan 0.000 0.430 1360 I N -0.788 119.764 120.570 -0.031 0.000 2.994 1360 I HA 0.481 4.639 4.170 -0.021 0.000 0.306 1360 I C 0.477 176.586 176.117 -0.012 0.000 1.195 1360 I CA -0.543 60.752 61.300 -0.008 0.000 1.001 1360 I CB 2.071 40.097 38.000 0.043 0.000 1.244 1360 I HN -0.071 nan 8.210 nan 0.000 0.437 1361 G N 2.102 110.891 108.800 -0.017 0.000 2.882 1361 G HA2 0.309 4.256 3.960 -0.021 0.000 0.164 1361 G HA3 0.309 4.256 3.960 -0.021 0.000 0.164 1361 G C -0.437 174.464 174.900 0.002 0.000 1.429 1361 G CA -0.402 44.671 45.100 -0.045 0.000 1.059 1361 G HN 0.506 nan 8.290 nan 0.000 0.581 1362 N N -0.205 118.465 118.700 -0.050 0.000 2.515 1362 N HA 0.325 5.052 4.740 -0.021 0.000 0.279 1362 N C 0.096 175.642 175.510 0.061 0.000 1.164 1362 N CA 0.150 53.215 53.050 0.025 0.000 0.982 1362 N CB 0.956 39.465 38.487 0.037 0.000 1.170 1362 N HN 0.443 nan 8.380 nan 0.000 0.474 1363 T N -0.464 114.148 114.554 0.096 0.000 4.096 1363 T HA -0.168 4.170 4.350 -0.021 0.000 0.343 1363 T C 0.113 174.881 174.700 0.112 0.000 0.756 1363 T CA 0.369 62.509 62.100 0.066 0.000 1.914 1363 T CB -1.953 66.974 68.868 0.098 0.000 1.873 1363 T HN 0.582 nan 8.240 nan 0.000 0.850 1364 C N 1.145 120.487 119.300 0.071 0.000 2.652 1364 C HA 0.443 4.890 4.460 -0.021 0.000 0.412 1364 C C 2.001 176.869 174.990 -0.204 0.000 1.294 1364 C CA -0.422 58.609 59.018 0.021 0.000 2.127 1364 C CB -0.381 27.461 27.740 0.170 0.000 2.691 1364 C HN 0.853 nan 8.230 nan 0.000 0.615 1365 L N 0.725 121.860 121.223 -0.147 0.000 4.232 1365 L HA -0.208 4.120 4.340 -0.021 0.000 0.415 1365 L C 0.498 177.314 176.870 -0.091 0.000 1.168 1365 L CA 0.313 55.037 54.840 -0.195 0.000 0.966 1365 L CB -1.849 39.989 42.059 -0.368 0.000 2.052 1365 L HN 0.878 nan 8.230 nan 0.000 0.887 1366 Y N 1.671 121.865 120.300 -0.177 0.000 2.804 1366 Y HA 0.140 4.677 4.550 -0.021 0.000 0.338 1366 Y C 1.572 177.373 175.900 -0.164 0.000 1.252 1366 Y CA 0.611 58.626 58.100 -0.142 0.000 1.576 1366 Y CB 0.429 38.819 38.460 -0.116 0.000 1.223 1366 Y HN 0.357 nan 8.280 nan 0.000 0.536 1367 G N 3.750 112.533 108.800 -0.027 0.000 2.179 1367 G HA2 -0.301 3.646 3.960 -0.021 0.000 0.257 1367 G HA3 -0.301 3.646 3.960 -0.021 0.000 0.257 1367 G C 0.185 174.994 174.900 -0.152 0.000 1.010 1367 G CA 0.016 44.991 45.100 -0.207 0.000 0.736 1367 G HN 1.175 nan 8.290 nan 0.000 0.513 1368 A N -0.506 122.245 122.820 -0.114 0.000 2.540 1368 A HA 0.610 4.918 4.320 -0.021 0.000 0.239 1368 A C 1.291 178.839 177.584 -0.059 0.000 1.061 1368 A CA 1.621 53.597 52.037 -0.102 0.000 0.758 1368 A CB 0.548 19.485 19.000 -0.106 0.000 0.991 1368 A HN 1.172 nan 8.150 nan 0.000 0.502 1369 T N 0.814 115.344 114.554 -0.040 0.000 3.132 1369 T HA 0.519 4.856 4.350 -0.021 0.000 0.274 1369 T C 0.458 175.155 174.700 -0.005 0.000 1.011 1369 T CA 0.967 63.057 62.100 -0.017 0.000 0.899 1369 T CB -0.866 67.997 68.868 -0.009 0.000 1.089 1369 T HN 2.030 nan 8.240 nan 0.000 0.543 1370 G N -0.866 107.926 108.800 -0.013 0.000 2.343 1370 G HA2 0.495 4.442 3.960 -0.021 0.000 0.289 1370 G HA3 0.495 4.442 3.960 -0.021 0.000 0.289 1370 G C -0.063 174.828 174.900 -0.015 0.000 1.295 1370 G CA -0.031 45.067 45.100 -0.004 0.000 0.869 1370 G HN 1.106 nan 8.290 nan 0.000 0.522 1371 G N -0.953 107.844 108.800 -0.005 0.000 2.746 1371 G HA2 0.164 4.112 3.960 -0.021 0.000 0.685 1371 G HA3 0.164 4.112 3.960 -0.021 0.000 0.685 1371 G C -0.864 174.009 174.900 -0.046 0.000 1.350 1371 G CA 0.034 45.126 45.100 -0.013 0.000 0.837 1371 G HN 1.216 nan 8.290 nan 0.000 0.564 1372 N N -0.523 118.135 118.700 -0.071 0.000 2.346 1372 N HA 0.533 5.260 4.740 -0.021 0.000 0.289 1372 N C -1.134 174.213 175.510 -0.271 0.000 1.027 1372 N CA -0.641 52.288 53.050 -0.202 0.000 0.864 1372 N CB 2.418 40.814 38.487 -0.152 0.000 1.370 1372 N HN 0.655 nan 8.380 nan 0.000 0.481 1373 L N 2.884 123.898 121.223 -0.348 0.000 2.341 1373 L HA 0.539 4.867 4.340 -0.021 0.000 0.278 1373 L C -1.765 174.884 176.870 -0.369 0.000 1.005 1373 L CA -0.539 54.172 54.840 -0.215 0.000 0.818 1373 L CB 0.751 42.808 42.059 -0.003 0.000 1.259 1373 L HN 0.412 nan 8.230 nan 0.000 0.418 1374 Y N 4.369 124.727 120.300 0.098 0.000 2.332 1374 Y HA 0.749 5.286 4.550 -0.021 0.000 0.326 1374 Y C 0.028 176.044 175.900 0.194 0.000 0.978 1374 Y CA -0.712 57.516 58.100 0.214 0.000 1.205 1374 Y CB 1.885 40.485 38.460 0.233 0.000 1.131 1374 Y HN 0.778 nan 8.280 nan 0.000 0.462 1375 A N 2.610 125.633 122.820 0.338 0.000 2.291 1375 A HA 0.389 4.697 4.320 -0.021 0.000 0.311 1375 A C -0.376 177.383 177.584 0.292 0.000 1.224 1375 A CA -0.869 51.305 52.037 0.229 0.000 0.821 1375 A CB 0.417 19.483 19.000 0.111 0.000 1.172 1375 A HN 0.726 nan 8.150 nan 0.000 0.494 1376 N N 2.248 121.076 118.700 0.214 0.000 3.178 1376 N HA 0.447 5.174 4.740 -0.021 0.000 0.300 1376 N C 0.297 175.885 175.510 0.129 0.000 1.242 1376 N CA 1.233 54.391 53.050 0.180 0.000 1.192 1376 N CB -0.184 38.341 38.487 0.063 0.000 1.463 1376 N HN 1.043 nan 8.380 nan 0.000 0.539 1377 G N 0.395 109.260 108.800 0.108 0.000 2.327 1377 G HA2 0.168 4.116 3.960 -0.021 0.000 0.291 1377 G HA3 0.168 4.116 3.960 -0.021 0.000 0.291 1377 G C -1.360 173.539 174.900 -0.000 0.000 1.290 1377 G CA -1.030 44.108 45.100 0.063 0.000 0.857 1377 G HN 0.285 nan 8.290 nan 0.000 0.520 1378 R N -0.282 120.202 120.500 -0.027 0.000 2.457 1378 R HA 0.714 5.042 4.340 -0.021 0.000 0.284 1378 R C 0.334 176.586 176.300 -0.080 0.000 1.024 1378 R CA 0.075 56.135 56.100 -0.067 0.000 1.025 1378 R CB 1.653 31.917 30.300 -0.060 0.000 1.063 1378 R HN 0.818 nan 8.270 nan 0.000 0.493 1379 A N 1.041 123.793 122.820 -0.113 0.000 2.261 1379 A HA 0.703 5.010 4.320 -0.021 0.000 0.323 1379 A C 0.337 177.915 177.584 -0.010 0.000 1.107 1379 A CA -0.267 51.736 52.037 -0.057 0.000 0.883 1379 A CB 1.068 20.010 19.000 -0.096 0.000 1.251 1379 A HN 0.757 nan 8.150 nan 0.000 0.502 1380 G N -0.658 108.167 108.800 0.041 0.000 2.783 1380 G HA2 0.488 4.435 3.960 -0.021 0.000 0.182 1380 G HA3 0.488 4.435 3.960 -0.021 0.000 0.182 1380 G C -0.179 174.775 174.900 0.089 0.000 1.516 1380 G CA -0.358 44.768 45.100 0.043 0.000 1.079 1380 G HN 0.770 nan 8.290 nan 0.000 0.573 1381 E N -0.545 119.718 120.200 0.105 0.000 2.312 1381 E HA 0.376 4.714 4.350 -0.021 0.000 0.259 1381 E C -0.217 176.478 176.600 0.158 0.000 1.122 1381 E CA -0.802 55.683 56.400 0.141 0.000 0.922 1381 E CB 0.713 30.530 29.700 0.195 0.000 1.109 1381 E HN 0.224 nan 8.360 nan 0.000 0.442 1382 R N -0.777 119.820 120.500 0.162 0.000 3.641 1382 R HA -0.194 4.133 4.340 -0.021 0.000 0.286 1382 R C -0.657 175.694 176.300 0.085 0.000 1.153 1382 R CA 0.083 56.222 56.100 0.066 0.000 0.775 1382 R CB -2.737 27.523 30.300 -0.067 0.000 1.215 1382 R HN 0.551 nan 8.270 nan 0.000 0.474 1383 F N 0.681 120.658 119.950 0.045 0.000 2.578 1383 F HA 0.280 4.794 4.527 -0.021 0.000 0.381 1383 F C 1.334 177.168 175.800 0.057 0.000 1.069 1383 F CA 0.625 58.654 58.000 0.049 0.000 1.231 1383 F CB 0.388 39.421 39.000 0.056 0.000 1.086 1383 F HN 0.427 nan 8.300 nan 0.000 0.564 1384 A N 3.779 126.123 122.820 -0.793 0.000 2.822 1384 A HA -0.221 4.087 4.320 -0.021 0.000 0.287 1384 A C 1.235 178.744 177.584 -0.124 0.000 1.479 1384 A CA 0.772 52.519 52.037 -0.483 0.000 0.779 1384 A CB -2.674 16.087 19.000 -0.399 0.000 1.022 1384 A HN 1.010 nan 8.150 nan 0.000 0.532 1385 V N -0.814 119.061 119.914 -0.065 0.000 2.223 1385 V HA -0.285 3.823 4.120 -0.021 0.000 0.253 1385 V C 2.014 178.216 176.094 0.180 0.000 1.061 1385 V CA 2.279 64.599 62.300 0.033 0.000 1.035 1385 V CB -0.531 31.269 31.823 -0.037 0.000 0.653 1385 V HN 0.735 nan 8.190 nan 0.000 0.454 1386 R N 1.066 121.699 120.500 0.222 0.000 2.997 1386 R HA 0.300 4.628 4.340 -0.021 0.000 0.358 1386 R C -0.057 176.299 176.300 0.094 0.000 1.191 1386 R CA -0.486 55.736 56.100 0.203 0.000 1.113 1386 R CB -0.595 29.806 30.300 0.168 0.000 1.433 1386 R HN 0.609 nan 8.270 nan 0.000 0.584 1387 N N -0.322 118.412 118.700 0.056 0.000 2.454 1387 N HA -0.016 4.711 4.740 -0.021 0.000 0.260 1387 N C 0.422 175.949 175.510 0.028 0.000 1.218 1387 N CA 0.723 53.775 53.050 0.002 0.000 0.904 1387 N CB 1.039 39.504 38.487 -0.037 0.000 1.065 1387 N HN -0.097 nan 8.380 nan 0.000 0.462 1388 S N 1.715 117.422 115.700 0.012 0.000 2.566 1388 S HA 0.136 4.593 4.470 -0.021 0.000 0.234 1388 S C 0.770 175.379 174.600 0.014 0.000 1.075 1388 S CA 0.262 58.479 58.200 0.029 0.000 0.926 1388 S CB 0.466 63.685 63.200 0.032 0.000 0.811 1388 S HN 0.528 nan 8.310 nan 0.000 0.518 1389 V N 0.365 120.279 119.914 -0.001 0.000 3.544 1389 V HA 0.368 4.476 4.120 -0.021 0.000 0.298 1389 V C 0.720 176.808 176.094 -0.009 0.000 1.580 1389 V CA -0.285 62.015 62.300 0.000 0.000 1.122 1389 V CB -0.024 31.800 31.823 0.003 0.000 0.951 1389 V HN 0.302 nan 8.190 nan 0.000 0.448 1390 G N 1.016 109.800 108.800 -0.027 0.000 2.491 1390 G HA2 0.415 4.362 3.960 -0.021 0.000 0.242 1390 G HA3 0.415 4.362 3.960 -0.021 0.000 0.242 1390 G C -0.341 174.539 174.900 -0.033 0.000 1.266 1390 G CA 0.027 45.101 45.100 -0.044 0.000 0.844 1390 G HN 0.349 nan 8.290 nan 0.000 0.571 1391 K N 0.234 120.606 120.400 -0.047 0.000 2.259 1391 K HA 0.696 5.003 4.320 -0.021 0.000 0.252 1391 K C -0.426 176.114 176.600 -0.100 0.000 0.936 1391 K CA -0.523 55.736 56.287 -0.047 0.000 0.810 1391 K CB 2.380 34.856 32.500 -0.040 0.000 1.143 1391 K HN 0.658 nan 8.250 nan 0.000 0.427 1392 A N 1.459 124.248 122.820 -0.051 0.000 2.594 1392 A HA 0.655 4.963 4.320 -0.021 0.000 0.295 1392 A C -1.537 176.013 177.584 -0.057 0.000 1.071 1392 A CA -0.681 51.323 52.037 -0.055 0.000 0.685 1392 A CB 1.667 20.812 19.000 0.242 0.000 1.285 1392 A HN 0.339 nan 8.150 nan 0.000 0.405 1393 V N 2.473 122.312 119.914 -0.125 0.000 2.525 1393 V HA 0.612 4.719 4.120 -0.021 0.000 0.299 1393 V C -0.267 175.683 176.094 -0.240 0.000 1.034 1393 V CA -0.152 62.040 62.300 -0.180 0.000 0.863 1393 V CB 0.952 32.641 31.823 -0.224 0.000 0.999 1393 V HN 0.972 nan 8.190 nan 0.000 0.423 1394 I N 0.883 121.289 120.570 -0.273 0.000 3.322 1394 I HA 0.687 4.845 4.170 -0.021 0.000 0.313 1394 I C 0.118 176.123 176.117 -0.186 0.000 1.129 1394 I CA -0.790 60.357 61.300 -0.256 0.000 0.963 1394 I CB 2.610 40.322 38.000 -0.480 0.000 1.273 1394 I HN 0.450 nan 8.210 nan 0.000 0.473 1395 E N 0.830 120.964 120.200 -0.109 0.000 2.624 1395 E HA 0.482 4.819 4.350 -0.021 0.000 0.210 1395 E C 0.021 176.603 176.600 -0.030 0.000 0.997 1395 E CA -0.285 56.093 56.400 -0.037 0.000 0.999 1395 E CB 1.315 31.034 29.700 0.033 0.000 1.040 1395 E HN 0.931 nan 8.360 nan 0.000 0.469 1396 G N 0.587 109.345 108.800 -0.070 0.000 2.347 1396 G HA2 0.482 4.429 3.960 -0.021 0.000 0.303 1396 G HA3 0.482 4.429 3.960 -0.021 0.000 0.303 1396 G C -1.790 173.064 174.900 -0.076 0.000 1.481 1396 G CA -0.268 44.810 45.100 -0.036 0.000 0.914 1396 G HN 0.190 nan 8.290 nan 0.000 0.638 1397 A N -0.955 121.849 122.820 -0.028 0.000 2.602 1397 A HA 1.017 5.324 4.320 -0.021 0.000 0.290 1397 A C 0.558 178.141 177.584 -0.001 0.000 1.114 1397 A CA 0.490 52.514 52.037 -0.021 0.000 0.683 1397 A CB 1.085 20.091 19.000 0.010 0.000 1.281 1397 A HN 2.284 nan 8.150 nan 0.000 0.416 1398 G N -0.592 108.213 108.800 0.008 0.000 2.624 1398 G HA2 0.471 4.418 3.960 -0.021 0.000 0.217 1398 G HA3 0.471 4.418 3.960 -0.021 0.000 0.217 1398 G C -0.567 174.308 174.900 -0.042 0.000 1.506 1398 G CA -0.143 44.951 45.100 -0.011 0.000 1.072 1398 G HN 0.670 nan 8.290 nan 0.000 0.568 1399 D N -0.425 119.907 120.400 -0.113 0.000 2.358 1399 D HA 0.266 4.893 4.640 -0.021 0.000 0.244 1399 D C 0.250 176.408 176.300 -0.237 0.000 1.163 1399 D CA 0.186 53.988 54.000 -0.330 0.000 0.945 1399 D CB 0.193 40.585 40.800 -0.680 0.000 1.152 1399 D HN 0.516 nan 8.370 nan 0.000 0.451 1400 H N -2.433 116.617 119.070 -0.034 0.000 2.903 1400 H HA -0.188 4.355 4.556 -0.021 0.000 0.285 1400 H C 0.099 175.418 175.328 -0.015 0.000 1.231 1400 H CA 0.097 56.109 56.048 -0.059 0.000 1.135 1400 H CB -1.934 27.773 29.762 -0.092 0.000 1.328 1400 H HN 0.299 nan 8.280 nan 0.000 0.388 1401 C N 0.667 120.032 119.300 0.109 0.000 2.642 1401 C HA 0.177 4.625 4.460 -0.021 0.000 0.420 1401 C C 2.023 177.128 174.990 0.191 0.000 1.349 1401 C CA 0.893 60.038 59.018 0.212 0.000 1.821 1401 C CB -1.156 26.762 27.740 0.297 0.000 2.637 1401 C HN 0.939 nan 8.230 nan 0.000 0.605 1402 C N 4.206 123.623 119.300 0.195 0.000 4.358 1402 C HA -0.160 4.287 4.460 -0.021 0.000 0.287 1402 C C 1.851 176.865 174.990 0.040 0.000 1.414 1402 C CA 1.128 60.223 59.018 0.128 0.000 1.949 1402 C CB -3.233 24.619 27.740 0.186 0.000 1.274 1402 C HN 1.102 nan 8.230 nan 0.000 0.793 1403 E N -0.111 120.077 120.200 -0.020 0.000 2.068 1403 E HA -0.240 4.097 4.350 -0.021 0.000 0.207 1403 E C 0.708 177.129 176.600 -0.298 0.000 1.032 1403 E CA 2.044 58.312 56.400 -0.220 0.000 0.839 1403 E CB -0.086 29.416 29.700 -0.330 0.000 0.758 1403 E HN 0.853 nan 8.360 nan 0.000 0.457 1404 Y N -0.498 119.812 120.300 0.017 0.000 2.751 1404 Y HA 0.270 4.807 4.550 -0.021 0.000 0.289 1404 Y C 0.133 176.067 175.900 0.057 0.000 1.110 1404 Y CA -0.501 57.627 58.100 0.045 0.000 1.251 1404 Y CB 0.157 38.653 38.460 0.059 0.000 1.178 1404 Y HN 0.076 nan 8.280 nan 0.000 0.540 1405 M N 1.283 120.961 119.600 0.130 0.000 2.252 1405 M HA 0.019 4.487 4.480 -0.021 0.000 0.348 1405 M C 0.922 177.281 176.300 0.099 0.000 1.334 1405 M CA 0.993 56.355 55.300 0.103 0.000 1.071 1405 M CB 0.677 33.319 32.600 0.070 0.000 1.763 1405 M HN 0.433 nan 8.290 nan 0.000 0.452 1406 T N 0.685 115.296 114.554 0.095 0.000 3.040 1406 T HA 0.574 4.912 4.350 -0.021 0.000 0.266 1406 T C 0.399 175.128 174.700 0.050 0.000 1.005 1406 T CA 0.001 62.149 62.100 0.079 0.000 0.906 1406 T CB 0.293 69.222 68.868 0.102 0.000 1.082 1406 T HN 0.810 nan 8.240 nan 0.000 0.531 1407 G N -1.003 107.823 108.800 0.043 0.000 2.488 1407 G HA2 0.605 4.552 3.960 -0.021 0.000 0.301 1407 G HA3 0.605 4.552 3.960 -0.021 0.000 0.301 1407 G C -0.102 174.814 174.900 0.027 0.000 1.339 1407 G CA -0.005 45.113 45.100 0.031 0.000 0.803 1407 G HN 1.106 nan 8.290 nan 0.000 0.482 1408 G N -2.372 106.443 108.800 0.025 0.000 2.725 1408 G HA2 0.346 4.293 3.960 -0.021 0.000 0.220 1408 G HA3 0.346 4.293 3.960 -0.021 0.000 0.220 1408 G C -0.740 174.184 174.900 0.039 0.000 1.357 1408 G CA 0.234 45.349 45.100 0.025 0.000 0.866 1408 G HN 1.842 nan 8.290 nan 0.000 0.548 1409 V N 0.486 120.427 119.914 0.045 0.000 2.655 1409 V HA 0.592 4.699 4.120 -0.021 0.000 0.301 1409 V C -0.379 175.760 176.094 0.075 0.000 1.082 1409 V CA -0.795 61.553 62.300 0.081 0.000 0.899 1409 V CB 1.748 33.641 31.823 0.116 0.000 1.014 1409 V HN 0.827 nan 8.190 nan 0.000 0.429 1410 I N 4.838 125.455 120.570 0.079 0.000 2.465 1410 I HA 0.593 4.751 4.170 -0.021 0.000 0.291 1410 I C -0.467 175.657 176.117 0.012 0.000 1.014 1410 I CA -0.731 60.612 61.300 0.071 0.000 1.093 1410 I CB 2.152 40.213 38.000 0.101 0.000 1.267 1410 I HN 0.305 nan 8.210 nan 0.000 0.431 1411 V N 6.750 126.661 119.914 -0.004 0.000 2.444 1411 V HA 0.485 4.592 4.120 -0.021 0.000 0.294 1411 V C -0.217 175.823 176.094 -0.089 0.000 1.022 1411 V CA -0.683 61.603 62.300 -0.024 0.000 0.850 1411 V CB 2.452 34.266 31.823 -0.014 0.000 0.992 1411 V HN 0.429 nan 8.190 nan 0.000 0.426 1412 V N 6.520 126.380 119.914 -0.089 0.000 2.376 1412 V HA 0.365 4.473 4.120 -0.021 0.000 0.287 1412 V C 0.265 176.408 176.094 0.081 0.000 1.015 1412 V CA -0.296 61.980 62.300 -0.040 0.000 0.834 1412 V CB 1.631 33.472 31.823 0.030 0.000 1.001 1412 V HN 0.746 nan 8.190 nan 0.000 0.428 1413 L N 4.753 125.997 121.223 0.035 0.000 2.888 1413 L HA 0.647 4.974 4.340 -0.021 0.000 0.237 1413 L C 0.941 177.822 176.870 0.017 0.000 1.288 1413 L CA 0.170 55.039 54.840 0.048 0.000 1.110 1413 L CB -0.316 41.769 42.059 0.042 0.000 1.441 1413 L HN 0.825 nan 8.230 nan 0.000 0.474 1414 G N -0.895 107.927 108.800 0.037 0.000 2.430 1414 G HA2 0.333 4.281 3.960 -0.021 0.000 0.300 1414 G HA3 0.333 4.281 3.960 -0.021 0.000 0.300 1414 G C -3.200 171.736 174.900 0.061 0.000 1.330 1414 G CA -0.790 44.331 45.100 0.034 0.000 0.813 1414 G HN -0.224 nan 8.290 nan 0.000 0.487 1415 P HA 0.452 nan 4.420 nan 0.000 0.269 1415 P C -0.546 176.778 177.300 0.040 0.000 1.215 1415 P CA -0.249 62.877 63.100 0.042 0.000 0.780 1415 P CB 1.391 33.108 31.700 0.028 0.000 0.898 1416 V N 1.509 121.436 119.914 0.023 0.000 2.962 1416 V HA 0.664 4.772 4.120 -0.021 0.000 0.313 1416 V C 0.685 176.750 176.094 -0.047 0.000 1.099 1416 V CA -0.402 61.901 62.300 0.005 0.000 0.971 1416 V CB 2.198 34.038 31.823 0.028 0.000 1.028 1416 V HN 0.744 nan 8.190 nan 0.000 0.430 1417 G N 2.524 111.287 108.800 -0.062 0.000 2.535 1417 G HA2 0.442 4.390 3.960 -0.021 0.000 0.282 1417 G HA3 0.442 4.390 3.960 -0.021 0.000 0.282 1417 G C -0.051 174.764 174.900 -0.143 0.000 1.350 1417 G CA -0.584 44.460 45.100 -0.093 0.000 1.039 1417 G HN 0.920 nan 8.290 nan 0.000 0.509 1418 R N -1.457 118.946 120.500 -0.163 0.000 2.580 1418 R HA 0.315 4.643 4.340 -0.021 0.000 0.267 1418 R C 0.537 176.704 176.300 -0.223 0.000 1.125 1418 R CA 0.005 56.001 56.100 -0.174 0.000 1.188 1418 R CB 0.156 30.377 30.300 -0.132 0.000 1.155 1418 R HN 0.690 nan 8.270 nan 0.000 0.586 1419 N N -0.932 117.668 118.700 -0.166 0.000 2.747 1419 N HA -0.150 4.578 4.740 -0.021 0.000 0.249 1419 N C -1.042 174.407 175.510 -0.103 0.000 1.107 1419 N CA 0.316 53.298 53.050 -0.112 0.000 0.707 1419 N CB -0.343 38.125 38.487 -0.030 0.000 1.054 1419 N HN 0.386 nan 8.380 nan 0.000 0.555 1420 V N 0.591 120.411 119.914 -0.156 0.000 2.655 1420 V HA 0.262 4.370 4.120 -0.021 0.000 0.300 1420 V C 1.831 177.859 176.094 -0.110 0.000 1.044 1420 V CA 1.113 63.318 62.300 -0.158 0.000 1.095 1420 V CB 0.971 32.587 31.823 -0.346 0.000 0.952 1420 V HN 0.571 nan 8.190 nan 0.000 0.485 1421 G N 3.577 112.352 108.800 -0.041 0.000 2.179 1421 G HA2 -0.124 3.824 3.960 -0.021 0.000 0.257 1421 G HA3 -0.124 3.824 3.960 -0.021 0.000 0.257 1421 G C 0.377 175.232 174.900 -0.075 0.000 1.010 1421 G CA 0.096 45.179 45.100 -0.027 0.000 0.736 1421 G HN 1.628 nan 8.290 nan 0.000 0.513 1422 A N -0.284 122.467 122.820 -0.115 0.000 2.492 1422 A HA 0.659 4.967 4.320 -0.021 0.000 0.254 1422 A C 2.003 179.440 177.584 -0.244 0.000 1.091 1422 A CA 1.407 53.347 52.037 -0.161 0.000 0.768 1422 A CB -0.037 18.863 19.000 -0.167 0.000 1.028 1422 A HN 2.345 nan 8.150 nan 0.000 0.498 1423 G N 1.522 110.228 108.800 -0.157 0.000 2.168 1423 G HA2 -0.290 3.658 3.960 -0.021 0.000 0.257 1423 G HA3 -0.290 3.658 3.960 -0.021 0.000 0.257 1423 G C 0.306 175.188 174.900 -0.029 0.000 0.997 1423 G CA 0.770 45.810 45.100 -0.100 0.000 0.708 1423 G HN 1.430 nan 8.290 nan 0.000 0.520 1424 M N 0.300 119.878 119.600 -0.036 0.000 2.146 1424 M HA 0.613 5.080 4.480 -0.021 0.000 0.357 1424 M C 0.902 177.218 176.300 0.027 0.000 1.261 1424 M CA 0.720 56.028 55.300 0.013 0.000 1.106 1424 M CB 1.354 33.962 32.600 0.014 0.000 1.612 1424 M HN -0.020 nan 8.290 nan 0.000 0.470 1425 T N 2.839 117.421 114.554 0.048 0.000 3.041 1425 T HA 0.455 4.793 4.350 -0.021 0.000 0.276 1425 T C -0.172 174.549 174.700 0.035 0.000 0.948 1425 T CA 0.220 62.345 62.100 0.041 0.000 0.885 1425 T CB 0.366 69.269 68.868 0.058 0.000 1.175 1425 T HN 0.909 nan 8.240 nan 0.000 0.529 1426 G N -0.955 107.869 108.800 0.039 0.000 2.623 1426 G HA2 0.565 4.513 3.960 -0.021 0.000 0.290 1426 G HA3 0.565 4.513 3.960 -0.021 0.000 0.290 1426 G C -0.131 174.788 174.900 0.032 0.000 1.437 1426 G CA 0.141 45.261 45.100 0.032 0.000 0.798 1426 G HN 0.578 nan 8.290 nan 0.000 0.488 1427 G N -1.541 107.274 108.800 0.026 0.000 2.782 1427 G HA2 0.181 4.128 3.960 -0.021 0.000 0.228 1427 G HA3 0.181 4.128 3.960 -0.021 0.000 0.228 1427 G C -0.724 174.181 174.900 0.010 0.000 1.372 1427 G CA -0.082 45.033 45.100 0.025 0.000 0.862 1427 G HN 1.312 nan 8.290 nan 0.000 0.547 1428 L N -0.264 120.958 121.223 -0.002 0.000 2.409 1428 L HA 0.804 5.132 4.340 -0.021 0.000 0.262 1428 L C 0.361 177.166 176.870 -0.110 0.000 0.992 1428 L CA -0.561 54.233 54.840 -0.078 0.000 0.817 1428 L CB 2.218 44.219 42.059 -0.097 0.000 1.350 1428 L HN 1.545 nan 8.230 nan 0.000 0.411 1429 A N 1.873 124.560 122.820 -0.223 0.000 2.449 1429 A HA 0.823 5.131 4.320 -0.021 0.000 0.302 1429 A C -1.994 175.305 177.584 -0.474 0.000 1.048 1429 A CA -0.352 51.528 52.037 -0.261 0.000 0.708 1429 A CB 1.287 20.213 19.000 -0.122 0.000 1.274 1429 A HN 0.545 nan 8.150 nan 0.000 0.410 1430 Y N 0.233 120.329 120.300 -0.339 0.000 2.376 1430 Y HA 0.658 5.195 4.550 -0.020 0.000 0.340 1430 Y C -0.922 174.846 175.900 -0.221 0.000 0.965 1430 Y CA -0.420 57.614 58.100 -0.111 0.000 1.078 1430 Y CB 1.966 40.386 38.460 -0.066 0.000 1.193 1430 Y HN 0.547 nan 8.280 nan 0.000 0.452 1431 F N 3.743 124.002 119.950 0.515 0.000 2.507 1431 F HA 0.378 4.893 4.527 -0.020 0.000 0.328 1431 F C -0.683 175.257 175.800 0.232 0.000 1.136 1431 F CA -1.002 57.203 58.000 0.343 0.000 0.930 1431 F CB 1.440 40.576 39.000 0.226 0.000 1.166 1431 F HN 0.253 nan 8.300 nan 0.000 0.436 1432 L N 3.606 124.868 121.223 0.065 0.000 2.361 1432 L HA 0.374 4.702 4.340 -0.021 0.000 0.278 1432 L C -0.857 175.948 176.870 -0.109 0.000 1.113 1432 L CA 0.253 54.779 54.840 -0.522 0.000 0.849 1432 L CB 0.302 41.967 42.059 -0.656 0.000 1.155 1432 L HN 0.517 nan 8.230 nan 0.000 0.452 1433 D N 3.481 123.833 120.400 -0.081 0.000 2.408 1433 D HA 0.241 4.868 4.640 -0.021 0.000 0.261 1433 D C 0.234 176.531 176.300 -0.004 0.000 1.190 1433 D CA -0.069 53.961 54.000 0.050 0.000 0.910 1433 D CB 0.945 41.889 40.800 0.240 0.000 1.097 1433 D HN 0.651 nan 8.370 nan 0.000 0.522 1434 E N 0.646 120.837 120.200 -0.015 0.000 2.478 1434 E HA -0.006 4.332 4.350 -0.021 0.000 0.194 1434 E C 1.272 177.872 176.600 -0.001 0.000 1.045 1434 E CA 0.249 56.635 56.400 -0.023 0.000 0.868 1434 E CB 0.818 30.516 29.700 -0.003 0.000 0.885 1434 E HN 0.264 nan 8.360 nan 0.000 0.505 1435 V N -0.429 119.499 119.914 0.023 0.000 2.672 1435 V HA 0.149 4.256 4.120 -0.021 0.000 0.242 1435 V C 1.609 177.727 176.094 0.040 0.000 1.059 1435 V CA 1.160 63.477 62.300 0.028 0.000 1.081 1435 V CB 0.423 32.265 31.823 0.032 0.000 0.752 1435 V HN 0.447 nan 8.190 nan 0.000 0.472 1436 G N 1.398 110.242 108.800 0.073 0.000 2.184 1436 G HA2 -0.199 3.748 3.960 -0.021 0.000 0.206 1436 G HA3 -0.199 3.748 3.960 -0.021 0.000 0.206 1436 G C 0.405 175.368 174.900 0.105 0.000 0.995 1436 G CA 0.357 45.526 45.100 0.115 0.000 0.651 1436 G HN 0.622 nan 8.290 nan 0.000 0.511 1437 D N 0.338 120.772 120.400 0.058 0.000 2.340 1437 D HA 0.252 4.880 4.640 -0.021 0.000 0.217 1437 D C 2.087 178.361 176.300 -0.042 0.000 1.081 1437 D CA 0.052 54.057 54.000 0.009 0.000 0.842 1437 D CB 0.035 40.837 40.800 0.002 0.000 0.934 1437 D HN 0.345 nan 8.370 nan 0.000 0.511 1438 L N 1.123 122.324 121.223 -0.036 0.000 2.043 1438 L HA -0.051 4.276 4.340 -0.021 0.000 0.212 1438 L C -0.766 175.925 176.870 -0.298 0.000 1.075 1438 L CA 2.029 56.773 54.840 -0.161 0.000 0.752 1438 L CB -1.314 40.667 42.059 -0.129 0.000 0.891 1438 L HN -0.018 nan 8.230 nan 0.000 0.432 1439 P HA -0.189 nan 4.420 nan 0.000 0.219 1439 P C 1.288 178.444 177.300 -0.240 0.000 1.146 1439 P CA 1.400 64.261 63.100 -0.398 0.000 0.808 1439 P CB -0.030 31.442 31.700 -0.380 0.000 0.779 1440 E N -0.711 119.389 120.200 -0.167 0.000 2.347 1440 E HA -0.117 4.221 4.350 -0.021 0.000 0.196 1440 E C 1.322 177.844 176.600 -0.130 0.000 1.008 1440 E CA 0.808 57.135 56.400 -0.121 0.000 0.852 1440 E CB -0.060 29.593 29.700 -0.080 0.000 0.783 1440 E HN 0.239 nan 8.360 nan 0.000 0.505 1441 K N -0.207 120.095 120.400 -0.164 0.000 2.358 1441 K HA 0.103 4.411 4.320 -0.021 0.000 0.197 1441 K C -0.118 176.363 176.600 -0.199 0.000 1.025 1441 K CA -0.280 55.908 56.287 -0.166 0.000 1.104 1441 K CB 0.729 33.132 32.500 -0.162 0.000 0.855 1441 K HN -0.062 nan 8.250 nan 0.000 0.531 1442 I N 1.850 122.287 120.570 -0.221 0.000 2.638 1442 I HA -0.020 4.137 4.170 -0.021 0.000 0.286 1442 I C 0.336 176.357 176.117 -0.159 0.000 1.088 1442 I CA -1.186 59.983 61.300 -0.219 0.000 1.397 1442 I CB 0.523 38.376 38.000 -0.246 0.000 1.414 1442 I HN 0.072 nan 8.210 nan 0.000 0.566 1443 N N 7.937 126.555 118.700 -0.136 0.000 2.411 1443 N HA 0.182 4.910 4.740 -0.021 0.000 0.259 1443 N C -2.026 173.423 175.510 -0.101 0.000 1.103 1443 N CA -1.349 51.636 53.050 -0.108 0.000 0.954 1443 N CB 1.284 39.714 38.487 -0.094 0.000 1.085 1443 N HN 0.261 nan 8.380 nan 0.000 0.485 1444 P HA 0.045 nan 4.420 nan 0.000 0.253 1444 P C 0.651 177.913 177.300 -0.063 0.000 1.260 1444 P CA 0.350 63.399 63.100 -0.084 0.000 0.800 1444 P CB 0.099 31.749 31.700 -0.083 0.000 1.162 1445 E N 0.234 120.398 120.200 -0.059 0.000 2.110 1445 E HA -0.122 4.215 4.350 -0.021 0.000 0.193 1445 E C 1.384 177.964 176.600 -0.033 0.000 0.988 1445 E CA 1.135 57.508 56.400 -0.044 0.000 0.804 1445 E CB -0.500 29.173 29.700 -0.046 0.000 0.745 1445 E HN 0.266 nan 8.360 nan 0.000 0.458 1446 I N 0.553 121.102 120.570 -0.035 0.000 3.746 1446 I HA 0.150 4.308 4.170 -0.021 0.000 0.262 1446 I C 1.186 177.291 176.117 -0.021 0.000 1.153 1446 I CA -0.519 60.769 61.300 -0.021 0.000 1.395 1446 I CB 0.307 38.300 38.000 -0.013 0.000 1.589 1446 I HN 0.048 nan 8.210 nan 0.000 0.441 1447 I N 0.060 120.613 120.570 -0.028 0.000 2.779 1447 I HA 0.292 4.449 4.170 -0.021 0.000 0.285 1447 I C -0.195 175.901 176.117 -0.035 0.000 1.134 1447 I CA 0.232 61.518 61.300 -0.022 0.000 1.398 1447 I CB 0.741 38.732 38.000 -0.015 0.000 1.404 1447 I HN -0.098 nan 8.210 nan 0.000 0.587 1448 T N 5.954 120.496 114.554 -0.020 0.000 2.855 1448 T HA 0.544 4.882 4.350 -0.021 0.000 0.281 1448 T C -0.465 174.227 174.700 -0.013 0.000 1.007 1448 T CA -0.389 61.696 62.100 -0.024 0.000 1.009 1448 T CB 1.355 70.224 68.868 0.002 0.000 0.983 1448 T HN 0.333 nan 8.240 nan 0.000 0.455 1449 L N 4.249 125.438 121.223 -0.056 0.000 2.307 1449 L HA 0.524 4.852 4.340 -0.021 0.000 0.282 1449 L C -0.012 176.962 176.870 0.173 0.000 1.051 1449 L CA 0.101 54.933 54.840 -0.014 0.000 0.804 1449 L CB 1.190 43.031 42.059 -0.363 0.000 1.197 1449 L HN 0.715 nan 8.230 nan 0.000 0.431 1450 Q N 3.041 123.077 119.800 0.395 0.000 2.418 1450 Q HA 0.618 4.945 4.340 -0.021 0.000 0.282 1450 Q C -0.962 175.298 176.000 0.434 0.000 1.044 1450 Q CA -1.223 54.842 55.803 0.437 0.000 0.813 1450 Q CB 1.693 30.559 28.738 0.214 0.000 1.428 1450 Q HN 0.260 nan 8.270 nan 0.000 0.402 1451 R N 0.957 121.575 120.500 0.196 0.000 2.738 1451 R HA 0.324 4.652 4.340 -0.021 0.000 0.268 1451 R C -0.130 176.208 176.300 0.062 0.000 1.062 1451 R CA -0.304 55.774 56.100 -0.036 0.000 1.158 1451 R CB -0.028 30.171 30.300 -0.167 0.000 1.046 1451 R HN 0.663 nan 8.270 nan 0.000 0.493 1452 I N 1.402 122.006 120.570 0.056 0.000 2.421 1452 I HA -0.047 4.110 4.170 -0.021 0.000 0.291 1452 I C 1.430 177.581 176.117 0.058 0.000 1.089 1452 I CA 0.565 61.922 61.300 0.095 0.000 1.354 1452 I CB 0.697 38.763 38.000 0.111 0.000 1.413 1452 I HN 0.533 nan 8.210 nan 0.000 0.513 1453 T N 4.724 119.320 114.554 0.070 0.000 3.046 1453 T HA 0.226 4.564 4.350 -0.021 0.000 0.242 1453 T C 0.799 175.535 174.700 0.060 0.000 1.018 1453 T CA 0.093 62.226 62.100 0.054 0.000 1.131 1453 T CB 0.320 69.220 68.868 0.052 0.000 0.904 1453 T HN 0.620 nan 8.240 nan 0.000 0.459 1454 A N 1.714 124.578 122.820 0.073 0.000 2.409 1454 A HA 0.461 4.768 4.320 -0.021 0.000 0.267 1454 A C 1.621 179.249 177.584 0.074 0.000 1.127 1454 A CA 0.093 52.172 52.037 0.069 0.000 0.795 1454 A CB 0.252 19.297 19.000 0.074 0.000 1.061 1454 A HN 0.441 nan 8.150 nan 0.000 0.502 1455 S N 2.720 118.457 115.700 0.062 0.000 2.383 1455 S HA -0.238 4.219 4.470 -0.021 0.000 0.229 1455 S C 1.700 176.335 174.600 0.058 0.000 1.030 1455 S CA 1.747 59.984 58.200 0.062 0.000 1.002 1455 S CB -0.307 62.921 63.200 0.048 0.000 0.829 1455 S HN 0.732 nan 8.310 nan 0.000 0.467 1456 K N 1.615 122.048 120.400 0.055 0.000 2.097 1456 K HA 0.094 4.402 4.320 -0.021 0.000 0.205 1456 K C 2.254 178.895 176.600 0.069 0.000 1.050 1456 K CA 1.181 57.498 56.287 0.051 0.000 0.938 1456 K CB -1.019 31.510 32.500 0.049 0.000 0.718 1456 K HN 0.473 nan 8.250 nan 0.000 0.442 1457 G N 0.436 109.299 108.800 0.105 0.000 2.421 1457 G HA2 -0.305 3.642 3.960 -0.021 0.000 0.216 1457 G HA3 -0.305 3.642 3.960 -0.021 0.000 0.216 1457 G C 1.393 176.344 174.900 0.085 0.000 1.171 1457 G CA 0.899 46.102 45.100 0.172 0.000 0.775 1457 G HN 0.449 nan 8.290 nan 0.000 0.543 1458 E N 0.209 120.463 120.200 0.089 0.000 2.085 1458 E HA -0.186 4.152 4.350 -0.021 0.000 0.194 1458 E C 2.347 178.989 176.600 0.071 0.000 0.994 1458 E CA 1.326 57.797 56.400 0.117 0.000 0.801 1458 E CB 0.031 29.840 29.700 0.181 0.000 0.743 1458 E HN 0.346 nan 8.360 nan 0.000 0.453 1459 E N 0.437 120.648 120.200 0.018 0.000 2.107 1459 E HA -0.200 4.138 4.350 -0.021 0.000 0.191 1459 E C 1.909 178.460 176.600 -0.082 0.000 0.982 1459 E CA 0.778 57.151 56.400 -0.045 0.000 0.809 1459 E CB -0.466 29.217 29.700 -0.029 0.000 0.756 1459 E HN 0.434 nan 8.360 nan 0.000 0.459 1460 Q N 0.363 120.122 119.800 -0.068 0.000 2.061 1460 Q HA -0.167 4.160 4.340 -0.021 0.000 0.204 1460 Q C 2.231 178.095 176.000 -0.226 0.000 0.984 1460 Q CA 1.221 56.967 55.803 -0.094 0.000 0.846 1460 Q CB -0.120 28.608 28.738 -0.015 0.000 0.902 1460 Q HN 0.222 nan 8.270 nan 0.000 0.421 1461 L N 1.140 122.112 121.223 -0.418 0.000 2.017 1461 L HA -0.182 4.146 4.340 -0.021 0.000 0.208 1461 L C 2.284 179.011 176.870 -0.238 0.000 1.073 1461 L CA 2.039 56.547 54.840 -0.554 0.000 0.745 1461 L CB -0.520 41.081 42.059 -0.764 0.000 0.894 1461 L HN 0.115 nan 8.230 nan 0.000 0.432 1462 K N -1.194 119.094 120.400 -0.186 0.000 2.057 1462 K HA -0.189 4.118 4.320 -0.021 0.000 0.207 1462 K C 2.376 178.817 176.600 -0.264 0.000 1.049 1462 K CA 1.492 57.542 56.287 -0.395 0.000 0.931 1462 K CB -0.284 31.802 32.500 -0.690 0.000 0.714 1462 K HN 0.466 nan 8.250 nan 0.000 0.440 1463 S N 0.325 115.916 115.700 -0.182 0.000 2.368 1463 S HA -0.112 4.345 4.470 -0.021 0.000 0.225 1463 S C 1.894 176.473 174.600 -0.035 0.000 1.030 1463 S CA 0.786 58.922 58.200 -0.108 0.000 0.999 1463 S CB -0.183 62.973 63.200 -0.073 0.000 0.844 1463 S HN 0.216 nan 8.310 nan 0.000 0.459 1464 L N 1.608 122.820 121.223 -0.019 0.000 2.046 1464 L HA 0.099 4.427 4.340 -0.021 0.000 0.208 1464 L C 2.276 179.228 176.870 0.138 0.000 1.077 1464 L CA 1.548 56.441 54.840 0.088 0.000 0.747 1464 L CB -1.220 40.858 42.059 0.030 0.000 0.896 1464 L HN 0.429 nan 8.230 nan 0.000 0.432 1465 I N -1.340 119.257 120.570 0.044 0.000 2.315 1465 I HA -0.270 3.887 4.170 -0.021 0.000 0.248 1465 I C 2.244 178.403 176.117 0.070 0.000 1.117 1465 I CA 1.127 62.483 61.300 0.093 0.000 1.404 1465 I CB -0.488 37.560 38.000 0.080 0.000 1.071 1465 I HN 0.220 nan 8.210 nan 0.000 0.419 1466 T N 0.917 115.452 114.554 -0.033 0.000 2.684 1466 T HA -0.209 4.129 4.350 -0.021 0.000 0.267 1466 T C 2.070 176.726 174.700 -0.073 0.000 1.036 1466 T CA 1.656 63.711 62.100 -0.075 0.000 1.148 1466 T CB -0.325 68.465 68.868 -0.129 0.000 0.863 1466 T HN 0.490 nan 8.240 nan 0.000 0.436 1467 A N 0.838 123.632 122.820 -0.043 0.000 1.933 1467 A HA -0.161 4.146 4.320 -0.021 0.000 0.218 1467 A C 2.010 179.443 177.584 -0.252 0.000 1.175 1467 A CA 2.218 54.175 52.037 -0.134 0.000 0.628 1467 A CB -0.943 18.068 19.000 0.018 0.000 0.814 1467 A HN 0.659 nan 8.150 nan 0.000 0.444 1468 H N -0.257 118.723 119.070 -0.150 0.000 2.352 1468 H HA -0.096 4.448 4.556 -0.021 0.000 0.299 1468 H C 1.829 177.116 175.328 -0.070 0.000 1.097 1468 H CA 2.093 58.097 56.048 -0.074 0.000 1.311 1468 H CB -0.225 29.650 29.762 0.187 0.000 1.377 1468 H HN 0.132 nan 8.280 nan 0.000 0.504 1469 V N 0.812 120.677 119.914 -0.081 0.000 2.358 1469 V HA -0.192 3.916 4.120 -0.021 0.000 0.246 1469 V C 2.401 178.393 176.094 -0.170 0.000 1.047 1469 V CA 2.009 64.231 62.300 -0.130 0.000 1.035 1469 V CB -0.356 31.432 31.823 -0.058 0.000 0.658 1469 V HN 0.480 nan 8.190 nan 0.000 0.452 1470 E N -0.562 119.513 120.200 -0.209 0.000 2.085 1470 E HA -0.217 4.121 4.350 -0.021 0.000 0.194 1470 E C 2.182 178.610 176.600 -0.288 0.000 0.994 1470 E CA 1.392 57.634 56.400 -0.265 0.000 0.801 1470 E CB -0.299 29.196 29.700 -0.341 0.000 0.743 1470 E HN 0.677 nan 8.360 nan 0.000 0.453 1471 H N -1.004 117.920 119.070 -0.243 0.000 2.436 1471 H HA 0.068 4.612 4.556 -0.021 0.000 0.294 1471 H C 1.573 176.830 175.328 -0.119 0.000 1.048 1471 H CA 1.246 57.182 56.048 -0.186 0.000 1.353 1471 H CB 0.483 30.034 29.762 -0.353 0.000 1.414 1471 H HN 0.080 nan 8.280 nan 0.000 0.536 1472 T N -1.917 112.579 114.554 -0.096 0.000 2.987 1472 T HA 0.203 4.541 4.350 -0.021 0.000 0.248 1472 T C 1.358 175.988 174.700 -0.116 0.000 0.997 1472 T CA 0.708 62.727 62.100 -0.135 0.000 1.013 1472 T CB 0.483 69.115 68.868 -0.394 0.000 1.077 1472 T HN 0.548 nan 8.240 nan 0.000 0.483 1473 G N 2.136 110.860 108.800 -0.127 0.000 2.155 1473 G HA2 -0.278 3.670 3.960 -0.021 0.000 0.257 1473 G HA3 -0.278 3.670 3.960 -0.021 0.000 0.257 1473 G C 0.383 175.235 174.900 -0.080 0.000 0.983 1473 G CA 0.623 45.669 45.100 -0.090 0.000 0.676 1473 G HN 0.723 nan 8.290 nan 0.000 0.528 1474 S N 0.809 116.436 115.700 -0.121 0.000 3.106 1474 S HA 0.215 4.672 4.470 -0.021 0.000 0.363 1474 S C 0.250 174.851 174.600 0.003 0.000 1.191 1474 S CA 0.227 58.398 58.200 -0.048 0.000 1.191 1474 S CB 0.647 63.834 63.200 -0.020 0.000 0.884 1474 S HN 0.244 nan 8.310 nan 0.000 0.526 1475 P HA -0.112 nan 4.420 nan 0.000 0.216 1475 P C 1.423 178.737 177.300 0.024 0.000 1.150 1475 P CA 0.940 64.048 63.100 0.014 0.000 0.837 1475 P CB 0.134 31.842 31.700 0.015 0.000 0.786 1476 K N 0.064 120.488 120.400 0.039 0.000 2.025 1476 K HA -0.051 4.256 4.320 -0.021 0.000 0.207 1476 K C 2.204 178.802 176.600 -0.004 0.000 1.049 1476 K CA 2.007 58.305 56.287 0.017 0.000 0.933 1476 K CB -1.484 31.039 32.500 0.039 0.000 0.714 1476 K HN 0.054 nan 8.250 nan 0.000 0.438 1477 G N 1.055 109.901 108.800 0.076 0.000 2.476 1477 G HA2 -0.308 3.640 3.960 -0.021 0.000 0.218 1477 G HA3 -0.308 3.640 3.960 -0.021 0.000 0.218 1477 G C 1.393 176.316 174.900 0.039 0.000 1.164 1477 G CA 1.204 46.364 45.100 0.100 0.000 0.768 1477 G HN 0.368 nan 8.290 nan 0.000 0.560 1478 K N 0.525 120.938 120.400 0.022 0.000 2.063 1478 K HA -0.004 4.303 4.320 -0.021 0.000 0.208 1478 K C 2.966 179.575 176.600 0.015 0.000 1.048 1478 K CA 1.018 57.312 56.287 0.011 0.000 0.928 1478 K CB -0.236 32.266 32.500 0.004 0.000 0.713 1478 K HN 0.295 nan 8.250 nan 0.000 0.442 1479 A N 1.445 124.260 122.820 -0.008 0.000 1.898 1479 A HA -0.140 4.168 4.320 -0.021 0.000 0.216 1479 A C 2.116 179.653 177.584 -0.078 0.000 1.181 1479 A CA 1.222 53.257 52.037 -0.002 0.000 0.620 1479 A CB -0.529 18.474 19.000 0.004 0.000 0.819 1479 A HN 0.160 nan 8.150 nan 0.000 0.442 1480 I N -0.201 120.201 120.570 -0.280 0.000 2.142 1480 I HA -0.282 3.875 4.170 -0.021 0.000 0.240 1480 I C 2.392 178.618 176.117 0.182 0.000 1.078 1480 I CA 1.308 62.391 61.300 -0.361 0.000 1.343 1480 I CB -0.387 37.491 38.000 -0.203 0.000 1.046 1480 I HN 0.289 nan 8.210 nan 0.000 0.405 1481 L N 0.464 121.792 121.223 0.174 0.000 2.079 1481 L HA -0.217 4.110 4.340 -0.021 0.000 0.210 1481 L C 2.769 179.743 176.870 0.174 0.000 1.081 1481 L CA 1.352 56.296 54.840 0.173 0.000 0.752 1481 L CB -0.796 41.276 42.059 0.023 0.000 0.896 1481 L HN 0.270 nan 8.230 nan 0.000 0.433 1482 A N -0.752 122.152 122.820 0.139 0.000 2.015 1482 A HA -0.099 4.209 4.320 -0.021 0.000 0.219 1482 A C 1.217 178.916 177.584 0.191 0.000 1.163 1482 A CA 1.188 53.305 52.037 0.133 0.000 0.646 1482 A CB -0.200 18.859 19.000 0.098 0.000 0.806 1482 A HN 0.463 nan 8.150 nan 0.000 0.448 1483 N N -1.071 117.802 118.700 0.288 0.000 2.679 1483 N HA 0.042 4.770 4.740 -0.021 0.000 0.302 1483 N C 0.329 176.080 175.510 0.401 0.000 1.941 1483 N CA -0.375 52.859 53.050 0.307 0.000 0.875 1483 N CB 0.163 38.817 38.487 0.279 0.000 1.278 1483 N HN 0.701 nan 8.380 nan 0.000 0.490 1484 W N 1.598 122.999 121.300 0.169 0.000 2.318 1484 W HA -0.201 4.447 4.660 -0.021 0.000 0.313 1484 W C 1.244 177.855 176.519 0.154 0.000 1.221 1484 W CA 1.172 58.612 57.345 0.158 0.000 1.266 1484 W CB 0.056 29.561 29.460 0.075 0.000 1.150 1484 W HN 0.142 nan 8.180 nan 0.000 0.496 1485 S N 0.745 116.516 115.700 0.118 0.000 2.383 1485 S HA -0.205 4.253 4.470 -0.021 0.000 0.229 1485 S C 1.144 175.693 174.600 -0.086 0.000 1.030 1485 S CA 1.923 60.112 58.200 -0.019 0.000 1.002 1485 S CB -0.459 62.771 63.200 0.050 0.000 0.829 1485 S HN 0.296 nan 8.310 nan 0.000 0.467 1486 D N -0.288 120.077 120.400 -0.059 0.000 2.149 1486 D HA -0.039 4.589 4.640 -0.021 0.000 0.201 1486 D C 1.509 177.657 176.300 -0.253 0.000 0.972 1486 D CA 1.093 54.989 54.000 -0.174 0.000 0.835 1486 D CB -0.245 40.408 40.800 -0.244 0.000 0.966 1486 D HN 0.486 nan 8.370 nan 0.000 0.476 1487 Y N 0.815 121.034 120.300 -0.134 0.000 2.365 1487 Y HA 0.085 4.622 4.550 -0.021 0.000 0.293 1487 Y C 2.390 178.195 175.900 -0.158 0.000 1.119 1487 Y CA 0.054 58.071 58.100 -0.139 0.000 1.203 1487 Y CB -0.009 38.427 38.460 -0.041 0.000 1.026 1487 Y HN -0.094 nan 8.280 nan 0.000 0.549 1488 L N -0.538 120.545 121.223 -0.233 0.000 2.012 1488 L HA -0.210 4.117 4.340 -0.021 0.000 0.210 1488 L C 2.257 179.071 176.870 -0.093 0.000 1.073 1488 L CA 1.955 56.597 54.840 -0.331 0.000 0.748 1488 L CB -0.851 40.809 42.059 -0.664 0.000 0.891 1488 L HN 0.385 nan 8.230 nan 0.000 0.431 1489 G N -0.825 107.887 108.800 -0.147 0.000 2.625 1489 G HA2 -0.197 3.750 3.960 -0.021 0.000 0.214 1489 G HA3 -0.197 3.750 3.960 -0.021 0.000 0.214 1489 G C 1.449 176.216 174.900 -0.222 0.000 1.132 1489 G CA 0.216 45.216 45.100 -0.167 0.000 0.782 1489 G HN 0.393 nan 8.290 nan 0.000 0.538 1490 K N -0.642 119.645 120.400 -0.189 0.000 2.374 1490 K HA 0.231 4.539 4.320 -0.021 0.000 0.196 1490 K C -0.255 176.165 176.600 -0.301 0.000 1.023 1490 K CA -0.449 55.683 56.287 -0.259 0.000 1.103 1490 K CB 0.335 32.703 32.500 -0.221 0.000 0.848 1490 K HN 0.246 nan 8.250 nan 0.000 0.528 1491 F N 0.334 120.180 119.950 -0.175 0.000 2.389 1491 F HA 0.189 4.703 4.527 -0.021 0.000 0.337 1491 F C 0.180 175.902 175.800 -0.131 0.000 1.112 1491 F CA -0.450 57.525 58.000 -0.043 0.000 1.192 1491 F CB 0.564 39.581 39.000 0.028 0.000 1.185 1491 F HN -0.099 nan 8.300 nan 0.000 0.552 1492 W N 2.400 123.913 121.300 0.354 0.000 2.573 1492 W HA 0.456 5.104 4.660 -0.020 0.000 0.326 1492 W C -0.640 176.051 176.519 0.287 0.000 1.049 1492 W CA -0.734 56.768 57.345 0.260 0.000 1.220 1492 W CB 1.313 30.887 29.460 0.190 0.000 1.373 1492 W HN 0.270 nan 8.180 nan 0.000 0.507 1493 Q N 2.470 122.522 119.800 0.420 0.000 2.325 1493 Q HA 0.640 4.968 4.340 -0.021 0.000 0.262 1493 Q C -0.629 175.445 176.000 0.123 0.000 0.968 1493 Q CA -0.527 55.337 55.803 0.102 0.000 0.877 1493 Q CB 1.342 30.073 28.738 -0.012 0.000 1.253 1493 Q HN 0.589 nan 8.270 nan 0.000 0.448 1494 A N 3.924 126.796 122.820 0.086 0.000 2.309 1494 A HA 0.531 4.839 4.320 -0.021 0.000 0.290 1494 A C -0.832 176.757 177.584 0.008 0.000 1.206 1494 A CA -0.425 51.674 52.037 0.103 0.000 0.850 1494 A CB 0.665 19.815 19.000 0.250 0.000 1.118 1494 A HN 0.537 nan 8.150 nan 0.000 0.523 1495 V N 5.987 125.910 119.914 0.015 0.000 2.409 1495 V HA 0.370 4.477 4.120 -0.021 0.000 0.290 1495 V C -2.428 173.671 176.094 0.009 0.000 1.017 1495 V CA -1.483 60.819 62.300 0.003 0.000 0.841 1495 V CB 1.573 33.403 31.823 0.012 0.000 1.003 1495 V HN 0.819 nan 8.190 nan 0.000 0.426 1496 P HA 0.351 nan 4.420 nan 0.000 0.276 1496 P C -2.687 174.619 177.300 0.011 0.000 1.244 1496 P CA -2.308 60.798 63.100 0.010 0.000 0.801 1496 P CB 0.297 32.006 31.700 0.015 0.000 1.006 1497 P HA 0.088 nan 4.420 nan 0.000 0.220 1497 P C 0.223 177.530 177.300 0.011 0.000 1.778 1497 P CA 0.343 63.450 63.100 0.011 0.000 0.912 1497 P CB -0.786 30.919 31.700 0.009 0.000 1.861 1498 S N -1.847 113.860 115.700 0.012 0.000 2.651 1498 S HA 0.144 4.601 4.470 -0.021 0.000 0.259 1498 S C 1.088 175.696 174.600 0.014 0.000 1.073 1498 S CA -0.283 57.924 58.200 0.012 0.000 1.090 1498 S CB -0.163 63.044 63.200 0.012 0.000 1.042 1498 S HN -0.008 nan 8.310 nan 0.000 0.581 1499 E N 1.694 121.903 120.200 0.015 0.000 2.498 1499 E HA 0.277 4.615 4.350 -0.021 0.000 0.203 1499 E C 0.974 177.586 176.600 0.019 0.000 1.013 1499 E CA -0.110 56.300 56.400 0.017 0.000 0.927 1499 E CB 0.124 29.832 29.700 0.014 0.000 1.012 1499 E HN 0.482 nan 8.360 nan 0.000 0.482 1500 K N 0.967 121.378 120.400 0.019 0.000 2.089 1500 K HA -0.151 4.157 4.320 -0.021 0.000 0.210 1500 K C 0.717 177.332 176.600 0.024 0.000 1.048 1500 K CA 1.373 57.673 56.287 0.022 0.000 0.926 1500 K CB 0.122 32.633 32.500 0.019 0.000 0.714 1500 K HN 0.048 nan 8.250 nan 0.000 0.448 1501 D N 0.234 120.647 120.400 0.022 0.000 2.424 1501 D HA 0.003 4.631 4.640 -0.021 0.000 0.220 1501 D C -0.005 176.310 176.300 0.025 0.000 1.150 1501 D CA 0.086 54.100 54.000 0.023 0.000 0.831 1501 D CB 0.487 41.299 40.800 0.019 0.000 0.981 1501 D HN 0.126 nan 8.370 nan 0.000 0.500 1502 S N 0.787 116.504 115.700 0.028 0.000 2.585 1502 S HA 0.173 4.631 4.470 -0.021 0.000 0.273 1502 S C -1.692 172.930 174.600 0.038 0.000 1.339 1502 S CA -0.870 57.349 58.200 0.032 0.000 1.028 1502 S CB 2.053 65.273 63.200 0.034 0.000 0.906 1502 S HN -0.226 nan 8.310 nan 0.000 0.528 1503 P HA -0.128 nan 4.420 nan 0.000 0.216 1503 P C 1.302 178.635 177.300 0.056 0.000 1.150 1503 P CA 1.119 64.244 63.100 0.042 0.000 0.837 1503 P CB -0.001 31.721 31.700 0.037 0.000 0.786 1504 E N -0.424 119.817 120.200 0.068 0.000 2.358 1504 E HA -0.011 4.326 4.350 -0.021 0.000 0.195 1504 E C 1.615 178.279 176.600 0.106 0.000 1.010 1504 E CA 1.140 57.600 56.400 0.100 0.000 0.856 1504 E CB -0.964 28.816 29.700 0.134 0.000 0.795 1504 E HN 0.224 nan 8.360 nan 0.000 0.504 1505 A N 0.415 123.278 122.820 0.072 0.000 2.197 1505 A HA 0.118 4.425 4.320 -0.021 0.000 0.210 1505 A C 0.630 178.248 177.584 0.058 0.000 1.180 1505 A CA 0.053 52.127 52.037 0.061 0.000 0.846 1505 A CB 0.047 19.070 19.000 0.038 0.000 0.884 1505 A HN 0.136 nan 8.150 nan 0.000 0.487 1506 N N 0.272 119.004 118.700 0.053 0.000 2.371 1506 N HA 0.454 5.182 4.740 -0.021 0.000 0.291 1506 N C -1.121 174.415 175.510 0.043 0.000 1.053 1506 N CA -0.226 52.852 53.050 0.046 0.000 0.870 1506 N CB 0.799 39.308 38.487 0.037 0.000 1.503 1506 N HN 0.162 nan 8.380 nan 0.000 0.485 1507 N N 0.000 118.725 118.700 0.042 0.000 1.763 1507 N HA 0.000 4.728 4.740 -0.021 0.000 0.220 1507 N CA 0.000 53.072 53.050 0.037 0.000 0.885 1507 N CB 0.000 38.506 38.487 0.032 0.000 1.341 1507 N HN 0.000 nan 8.380 nan 0.000 0.667